smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC(C)(C)[NH+]1CCN(C(=O)Nc2cc(OC(F)(F)F)ccc2Br)CC1 ZINC001311261088 1069311084 /nfs/dbraw/zinc/31/10/84/1069311084.db2.gz YVDSVZNSELMUMH-UHFFFAOYSA-N 1 0 454.287 3.922 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2ccnc2C)CC[N@@H+]1CCOC ZINC001306623165 1069313709 /nfs/dbraw/zinc/31/37/09/1069313709.db2.gz RJHDCNUKSRNIBB-HXUWFJFHSA-N 1 0 490.027 3.880 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(C)=O)cc2)CC[N@@H+]1CCOC ZINC001306623477 1069315277 /nfs/dbraw/zinc/31/52/77/1069315277.db2.gz JBEQJBVAXBYDAO-DEOSSOPVSA-N 1 0 491.640 3.592 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CC[N@H+](CC)C2)CCO1 ZINC001306623972 1069316304 /nfs/dbraw/zinc/31/63/04/1069316304.db2.gz WBZXCJKVZQVLAL-PZJWPPBQSA-N 1 0 457.619 3.700 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCc2c(F)cccc2F)CC[N@@H+]1CCOC ZINC001306623822 1069316351 /nfs/dbraw/zinc/31/63/51/1069316351.db2.gz GFZICWOQUXRVBE-AUSIDOKSSA-N 1 0 477.600 3.978 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001306624547 1069317903 /nfs/dbraw/zinc/31/79/03/1069317903.db2.gz ZJJLLSDJQCMNCF-OALUTQOASA-N 1 0 466.001 3.590 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C3CCCC3)n2Cc2nccc(C(F)F)n2)CC[N@@H+]1CCOC ZINC001306626242 1069321428 /nfs/dbraw/zinc/32/14/28/1069321428.db2.gz WWFIZZZQAFINAX-GOSISDBHSA-N 1 0 463.577 3.649 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC(F)(F)C2)CC[N@@H+]1CCOC ZINC001306629064 1069327984 /nfs/dbraw/zinc/32/79/84/1069327984.db2.gz IFZFAJPVVGYOCJ-LEWJYISDSA-N 1 0 479.620 3.512 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2nc(C(C)(C)C)cs2)CC[N@@H+]1CCOC ZINC001306629790 1069328932 /nfs/dbraw/zinc/32/89/32/1069328932.db2.gz LHYFYXWOHXYFQC-MOPGFXCFSA-N 1 0 476.691 3.521 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2F)CC[N@@H+]1CCOC ZINC001306630198 1069329597 /nfs/dbraw/zinc/32/95/97/1069329597.db2.gz MNNZUWFEKGRYBJ-HSZRJFAPSA-N 1 0 483.636 3.573 20 0 JHADRO COC(=O)c1ccc(CNC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1OC ZINC001311345829 1069331686 /nfs/dbraw/zinc/33/16/86/1069331686.db2.gz WZGIQYJHDATKKL-QFIPXVFZSA-N 1 0 455.555 3.517 20 0 JHADRO C[C@H]([NH2+]C1(CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CCCC1)c1ccccc1 ZINC001311347021 1069333258 /nfs/dbraw/zinc/33/32/58/1069333258.db2.gz CEDASXCMCWLJCX-DHLKQENFSA-N 1 0 450.627 3.850 20 0 JHADRO COc1cc(OC)cc(N2CCCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC2)c1 ZINC001311353797 1069338720 /nfs/dbraw/zinc/33/87/20/1069338720.db2.gz MFKMWNDDECQYGS-UHFFFAOYSA-N 1 0 452.599 3.722 20 0 JHADRO C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1=O ZINC001311352918 1069338737 /nfs/dbraw/zinc/33/87/37/1069338737.db2.gz DDZXNROTWIYNDZ-DVECYGJZSA-N 1 0 452.574 3.973 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)C1 ZINC001311357729 1069341305 /nfs/dbraw/zinc/34/13/05/1069341305.db2.gz HHZNBBRIOZWRGA-IECBHUPTSA-N 1 0 452.574 3.686 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306636287 1069344856 /nfs/dbraw/zinc/34/48/56/1069344856.db2.gz QGXOMEGJEIUVBY-YADHBBJMSA-N 1 0 488.721 3.958 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[C@@H]2OC)CC[N@@H+]1CCOC ZINC001306639864 1069350885 /nfs/dbraw/zinc/35/08/85/1069350885.db2.gz CZNJWTLDSFSJOL-VIZSFHNOSA-N 1 0 459.610 3.836 20 0 JHADRO CC1(C)CC(NC(=O)N2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)CC(C)(C)[NH2+]1 ZINC001311367957 1069347255 /nfs/dbraw/zinc/34/72/55/1069347255.db2.gz JOLGJTMJEHBVGU-UHFFFAOYSA-N 1 0 457.537 3.973 20 0 JHADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC001311370205 1069348064 /nfs/dbraw/zinc/34/80/64/1069348064.db2.gz NSAQQEZYZWFCDH-XZOQPEGZSA-N 1 0 455.002 3.967 20 0 JHADRO CCCCCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[NH+](C)C)C(C)C ZINC001306638668 1069348602 /nfs/dbraw/zinc/34/86/02/1069348602.db2.gz KCHYUZNGEBQXLI-PMACEKPBSA-N 1 0 466.671 3.942 20 0 JHADRO O=C(NCc1ccnc(OC2CCOCC2)c1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001311375858 1069350489 /nfs/dbraw/zinc/35/04/89/1069350489.db2.gz RWZZJBCJLHGYRV-JOCHJYFZSA-N 1 0 458.990 3.929 20 0 JHADRO CCCCCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@H+](C)C1)C(C)C ZINC001306641659 1069352456 /nfs/dbraw/zinc/35/24/56/1069352456.db2.gz BLNNHYDCRZTSHB-QFQXNSOFSA-N 1 0 492.709 3.864 20 0 JHADRO CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001306641806 1069352943 /nfs/dbraw/zinc/35/29/43/1069352943.db2.gz REEYXSQWGGHYNC-HXUWFJFHSA-N 1 0 489.462 3.641 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NC[C@@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC001311380337 1069353745 /nfs/dbraw/zinc/35/37/45/1069353745.db2.gz KROOQIPJRHUHKY-QFIPXVFZSA-N 1 0 459.034 3.626 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3OC)n2Cc2cnc(C)s2)CC[N@@H+]1CCOC ZINC001306644069 1069355295 /nfs/dbraw/zinc/35/52/95/1069355295.db2.gz JEKFDVNVWQLWRO-IBGZPJMESA-N 1 0 470.643 3.704 20 0 JHADRO CC[C@H](CNC(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001311397638 1069360927 /nfs/dbraw/zinc/36/09/27/1069360927.db2.gz VLTCMGSFBUZTSI-VVZHRXSXSA-N 1 0 456.631 3.912 20 0 JHADRO C[C@@H](CNC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001311396579 1069361203 /nfs/dbraw/zinc/36/12/03/1069361203.db2.gz AYIZGAQVZREWJB-MSOLQXFVSA-N 1 0 457.537 3.785 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCO1 ZINC001306649495 1069361467 /nfs/dbraw/zinc/36/14/67/1069361467.db2.gz UILXWNMQQGFKLZ-FQEVSTJZSA-N 1 0 459.610 3.979 20 0 JHADRO CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001306650946 1069362489 /nfs/dbraw/zinc/36/24/89/1069362489.db2.gz ZMDPARBBQSXBIT-OAQYLSRUSA-N 1 0 490.643 3.569 20 0 JHADRO CCOC(=O)c1csc(CC2CCN(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)n1 ZINC001311402697 1069362733 /nfs/dbraw/zinc/36/27/33/1069362733.db2.gz DQEHGSWGOHYGQU-QZTJIDSGSA-N 1 0 450.649 3.652 20 0 JHADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001311405491 1069364601 /nfs/dbraw/zinc/36/46/01/1069364601.db2.gz OYLIMMYSVWBPAG-DHIUTWEWSA-N 1 0 460.544 3.797 20 0 JHADRO Cc1cccc(CNC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c1Br ZINC001311422310 1069370289 /nfs/dbraw/zinc/37/02/89/1069370289.db2.gz CXOFEHOIRMLUEA-UHFFFAOYSA-N 1 0 459.432 3.765 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N[C@H]1c2ccccc2CC[C@H]1O ZINC001311421556 1069369178 /nfs/dbraw/zinc/36/91/78/1069369178.db2.gz CETNHTMKMVEQGQ-PKTZIBPZSA-N 1 0 476.543 3.565 20 0 JHADRO Cc1ccc(CNC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1Br ZINC001311421647 1069369358 /nfs/dbraw/zinc/36/93/58/1069369358.db2.gz FQRIWXGWDHEGKQ-JOCHJYFZSA-N 1 0 459.432 3.936 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC001311424465 1069373278 /nfs/dbraw/zinc/37/32/78/1069373278.db2.gz TXJHVIRIYIHVFB-OAQYLSRUSA-N 1 0 456.034 3.678 20 0 JHADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)NCC(F)(F)c1ccc(F)cc1F ZINC001311422752 1069370897 /nfs/dbraw/zinc/37/08/97/1069370897.db2.gz GJHKYOPTUSYQMJ-UHFFFAOYSA-N 1 0 452.496 3.564 20 0 JHADRO CCCCCn1cc(Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c(C)n1 ZINC001306657420 1069371011 /nfs/dbraw/zinc/37/10/11/1069371011.db2.gz ZQTMJSAURCUMMU-UXHICEINSA-N 1 0 452.651 3.946 20 0 JHADRO CC[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CC)CO1 ZINC001311423162 1069371391 /nfs/dbraw/zinc/37/13/91/1069371391.db2.gz MMFXWZJRHGVOFM-FPOVZHCZSA-N 1 0 456.553 3.817 20 0 JHADRO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC001311438983 1069379852 /nfs/dbraw/zinc/37/98/52/1069379852.db2.gz VXQWNIFLBWBJDE-SANMLTNESA-N 1 0 450.627 3.661 20 0 JHADRO COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC001311438018 1069379860 /nfs/dbraw/zinc/37/98/60/1069379860.db2.gz LNNCQZVDGHFENJ-DEOSSOPVSA-N 1 0 455.599 3.740 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306659823 1069377709 /nfs/dbraw/zinc/37/77/09/1069377709.db2.gz DGRDGKTZLLCUEH-OAQYLSRUSA-N 1 0 467.662 3.595 20 0 JHADRO Cc1ccc(CNC(=O)c2cccc(CNC(=O)N3CCN(c4cc[nH+]cc4)C[C@H]3C)c2)cc1 ZINC001311438134 1069380063 /nfs/dbraw/zinc/38/00/63/1069380063.db2.gz RUNMVBUSVZKYTJ-OAQYLSRUSA-N 1 0 457.578 3.740 20 0 JHADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC(C)(C)Sc2ccc(Br)cc2)C1 ZINC001311440591 1069381154 /nfs/dbraw/zinc/38/11/54/1069381154.db2.gz GVEUPCUJRSMDCE-QGZVFWFLSA-N 1 0 458.466 3.976 20 0 JHADRO COc1ccccc1[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)NC(=O)OC(C)(C)C ZINC001311443705 1069382444 /nfs/dbraw/zinc/38/24/44/1069382444.db2.gz CXXREMLDRRDJQQ-OAQYLSRUSA-N 1 0 456.587 3.822 20 0 JHADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001311458960 1069387700 /nfs/dbraw/zinc/38/77/00/1069387700.db2.gz JMZORFNTLHUBIG-QFIPXVFZSA-N 1 0 452.599 3.798 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001306664442 1069388687 /nfs/dbraw/zinc/38/86/87/1069388687.db2.gz PTBNHKVIZFXJIC-NRFANRHFSA-N 1 0 455.651 3.623 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC[C@H]1c1ccc(F)cc1 ZINC001311461883 1069389417 /nfs/dbraw/zinc/38/94/17/1069389417.db2.gz JXSHCJQWNNPCBY-VOQZNFBZSA-N 1 0 460.594 3.702 20 0 JHADRO C[C@H](NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311482042 1069398127 /nfs/dbraw/zinc/39/81/27/1069398127.db2.gz FARZGINBIBFPPL-YADARESESA-N 1 0 450.583 3.943 20 0 JHADRO O=C(NCc1ccc(COc2ccccc2)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001311487001 1069400750 /nfs/dbraw/zinc/40/07/50/1069400750.db2.gz GEWMMXITNYXTIW-VPUSJEBWSA-N 1 0 459.590 3.948 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001306679153 1069403676 /nfs/dbraw/zinc/40/36/76/1069403676.db2.gz FMJDWYAJDKPLFE-UHFFFAOYSA-N 1 0 454.663 3.932 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(C)(F)F)CC1 ZINC001306677901 1069402408 /nfs/dbraw/zinc/40/24/08/1069402408.db2.gz DPXKQCHKHUTERE-UHFFFAOYSA-N 1 0 466.577 3.999 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001306678122 1069402474 /nfs/dbraw/zinc/40/24/74/1069402474.db2.gz HTJNJOHWOLYNML-FQEVSTJZSA-N 1 0 494.610 3.568 20 0 JHADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)NCCc3cc(C(F)(F)F)ccn3)cc2)C[C@H](C)O1 ZINC001311493472 1069404126 /nfs/dbraw/zinc/40/41/26/1069404126.db2.gz ASGMJMQMQCOADQ-IRXDYDNUSA-N 1 0 450.505 3.752 20 0 JHADRO CCOC(=O)[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C[C@H]1C(F)(F)F ZINC001311493933 1069404330 /nfs/dbraw/zinc/40/43/30/1069404330.db2.gz CUWDOYUNVIHDJM-NSISKUIASA-N 1 0 455.521 3.802 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001306679312 1069404892 /nfs/dbraw/zinc/40/48/92/1069404892.db2.gz QTFLLRBXHGIXGK-QFIPXVFZSA-N 1 0 488.702 3.564 20 0 JHADRO C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C[C@@H]1NC(=O)C(F)(F)F ZINC001311494767 1069404968 /nfs/dbraw/zinc/40/49/68/1069404968.db2.gz HKJCMBMHJBCFDZ-HLIPFELVSA-N 1 0 454.537 3.660 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001306679341 1069405054 /nfs/dbraw/zinc/40/50/54/1069405054.db2.gz HVVPQEXBFCTBDR-HXUWFJFHSA-N 1 0 490.096 3.663 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccnc2OC)CC1 ZINC001306679710 1069405979 /nfs/dbraw/zinc/40/59/79/1069405979.db2.gz SHUWLDZBVFLDSF-JOCHJYFZSA-N 1 0 456.635 3.920 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 ZINC001306680117 1069406530 /nfs/dbraw/zinc/40/65/30/1069406530.db2.gz PMFVDMWFNUTJOR-AREMUKBSSA-N 1 0 458.695 3.826 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@H](C)SC)CC1 ZINC001306680180 1069406595 /nfs/dbraw/zinc/40/65/95/1069406595.db2.gz UZXAHSUSBLRGPC-LJQANCHMSA-N 1 0 497.713 3.892 20 0 JHADRO CC(=O)N1CC[C@H](NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC001311499128 1069408238 /nfs/dbraw/zinc/40/82/38/1069408238.db2.gz XEMPHPJSEOJBFD-JXQFQVJHSA-N 1 0 450.583 3.593 20 0 JHADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)cc2)CC1 ZINC001311497365 1069407158 /nfs/dbraw/zinc/40/71/58/1069407158.db2.gz PWGMRMUACXGYEP-PKTZIBPZSA-N 1 0 460.981 3.556 20 0 JHADRO CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC001311499129 1069408324 /nfs/dbraw/zinc/40/83/24/1069408324.db2.gz XEMPHPJSEOJBFD-YDIMBITNSA-N 1 0 450.583 3.593 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)CC1 ZINC001306680424 1069407314 /nfs/dbraw/zinc/40/73/14/1069407314.db2.gz CJURLBZJBSTCNB-UHFFFAOYSA-N 1 0 468.980 3.829 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001306683272 1069416644 /nfs/dbraw/zinc/41/66/44/1069416644.db2.gz QOSHCIDDYLCHEK-SFHVURJKSA-N 1 0 487.450 3.873 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC001306682398 1069413176 /nfs/dbraw/zinc/41/31/76/1069413176.db2.gz GANYQAFJFIIEPY-JOCHJYFZSA-N 1 0 455.582 3.610 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](COC)C1 ZINC001306682507 1069413880 /nfs/dbraw/zinc/41/38/80/1069413880.db2.gz JEKWNBMOZHXOFG-QGZVFWFLSA-N 1 0 450.425 3.912 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(C)C)CC1 ZINC001306682694 1069414797 /nfs/dbraw/zinc/41/47/97/1069414797.db2.gz MAWPOSXHCXDDQF-UHFFFAOYSA-N 1 0 461.676 3.953 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001306684153 1069418686 /nfs/dbraw/zinc/41/86/86/1069418686.db2.gz LBDTVEIPEBGMTG-GOSISDBHSA-N 1 0 468.568 3.758 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001306684667 1069419432 /nfs/dbraw/zinc/41/94/32/1069419432.db2.gz PGVFCKHVGGDXJQ-QGZVFWFLSA-N 1 0 454.575 3.641 20 0 JHADRO CCCC[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@@H](SC)C1 ZINC001306685552 1069421420 /nfs/dbraw/zinc/42/14/20/1069421420.db2.gz GMZNAAQGZCNSIX-JOCHJYFZSA-N 1 0 486.734 3.906 20 0 JHADRO CC(C)C[NH+]1CCC(NC(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)CC1 ZINC001311529720 1069425293 /nfs/dbraw/zinc/42/52/93/1069425293.db2.gz DAATUFMSSKCTJP-HXUWFJFHSA-N 1 0 450.546 3.738 20 0 JHADRO COc1ccc([C@@H]2CN(C(=O)NC3CC[NH+](CC(C)C)CC3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001311529687 1069425314 /nfs/dbraw/zinc/42/53/14/1069425314.db2.gz CCEHDZGPODXXHY-XZOQPEGZSA-N 1 0 474.646 3.818 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 ZINC001306688993 1069425744 /nfs/dbraw/zinc/42/57/44/1069425744.db2.gz RNFUTWUDTMHZBX-UXHICEINSA-N 1 0 464.655 3.697 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1 ZINC001306688697 1069425820 /nfs/dbraw/zinc/42/58/20/1069425820.db2.gz UTJNTGTVDNQAIV-NHCUHLMSSA-N 1 0 465.683 3.764 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001306689519 1069427053 /nfs/dbraw/zinc/42/70/53/1069427053.db2.gz XXNWYPMKOXHXLI-UHFFFAOYSA-N 1 0 453.610 3.882 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001306689661 1069427128 /nfs/dbraw/zinc/42/71/28/1069427128.db2.gz XSIRTDRPRARFQZ-DEOSSOPVSA-N 1 0 464.662 3.959 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1)CC(C)C ZINC001311535600 1069428247 /nfs/dbraw/zinc/42/82/47/1069428247.db2.gz YULGORRUSAKPNZ-PKOBYXMFSA-N 1 0 458.525 3.524 20 0 JHADRO CCCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001306691904 1069428921 /nfs/dbraw/zinc/42/89/21/1069428921.db2.gz PFVXNQDSIYHQOP-VQTJNVASSA-N 1 0 475.707 3.985 20 0 JHADRO CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1ccccc1 ZINC001311567237 1069440828 /nfs/dbraw/zinc/44/08/28/1069440828.db2.gz GEIXVJTXUXMHQU-UIOOFZCWSA-N 1 0 458.606 3.733 20 0 JHADRO CCc1ccc([C@H](CNC(=O)NCc2cc(OC)c(O)cc2Br)[NH+](C)C)cc1 ZINC001311571052 1069442742 /nfs/dbraw/zinc/44/27/42/1069442742.db2.gz ISVHOODQXUQTLO-SFHVURJKSA-N 1 0 450.377 3.828 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1Cl ZINC001311570043 1069442832 /nfs/dbraw/zinc/44/28/32/1069442832.db2.gz XFIPDBLWACEYEV-KVPLUYHFSA-N 1 0 451.011 3.887 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)Cc1ccccc1 ZINC001311571474 1069443270 /nfs/dbraw/zinc/44/32/70/1069443270.db2.gz LNCCYALURHMPOQ-FPOVZHCZSA-N 1 0 451.489 3.841 20 0 JHADRO CCCN(C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001311571852 1069443360 /nfs/dbraw/zinc/44/33/60/1069443360.db2.gz NAVHTRRBKKXWSB-RPBOFIJWSA-N 1 0 456.675 3.964 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC001311572705 1069444652 /nfs/dbraw/zinc/44/46/52/1069444652.db2.gz NNTQRPUVMZZYIO-QHCPKHFHSA-N 1 0 458.647 3.902 20 0 JHADRO CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)Cc1c(C)noc1C ZINC001306713294 1069444991 /nfs/dbraw/zinc/44/49/91/1069444991.db2.gz GWOOQEYFKWLISE-UHFFFAOYSA-N 1 0 451.619 3.684 20 0 JHADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC001311583574 1069449937 /nfs/dbraw/zinc/44/99/37/1069449937.db2.gz KOGKTBKSIVJIKF-MOPGFXCFSA-N 1 0 454.681 3.683 20 0 JHADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001311584929 1069451142 /nfs/dbraw/zinc/45/11/42/1069451142.db2.gz UWXFRPKHOHQRHM-LJQANCHMSA-N 1 0 455.571 3.733 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1 ZINC001306719574 1069453411 /nfs/dbraw/zinc/45/34/11/1069453411.db2.gz DAMHUUYCCGXRBX-NRFANRHFSA-N 1 0 486.636 3.953 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccccc2CC1 ZINC001306721288 1069457341 /nfs/dbraw/zinc/45/73/41/1069457341.db2.gz WDCPZHRATQZJHH-HSZRJFAPSA-N 1 0 452.647 3.676 20 0 JHADRO CCCCn1cc(Cn2c(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)c(C)n1 ZINC001306721055 1069456740 /nfs/dbraw/zinc/45/67/40/1069456740.db2.gz PGOLFLVMDFDGIZ-ISJBWFOZSA-N 1 0 487.693 3.591 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001306721541 1069457863 /nfs/dbraw/zinc/45/78/63/1069457863.db2.gz BDKJANNNLJKLNI-RZUBCFFCSA-N 1 0 486.636 3.879 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001306722103 1069458984 /nfs/dbraw/zinc/45/89/84/1069458984.db2.gz DZZJEQYJZNDWFZ-JOCHJYFZSA-N 1 0 482.673 3.913 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001306722680 1069461006 /nfs/dbraw/zinc/46/10/06/1069461006.db2.gz KBWZEYAOGZAGPY-YADHBBJMSA-N 1 0 452.647 4.000 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001306723062 1069462321 /nfs/dbraw/zinc/46/23/21/1069462321.db2.gz NZQVNNMHMVUNPZ-QFIPXVFZSA-N 1 0 450.635 3.981 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC(C)C ZINC001306723198 1069462398 /nfs/dbraw/zinc/46/23/98/1069462398.db2.gz OTYAFLSPAXAIHT-HXUWFJFHSA-N 1 0 465.646 3.939 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001306723231 1069462810 /nfs/dbraw/zinc/46/28/10/1069462810.db2.gz PKONEJLQMGKKMP-IBVKSMDESA-N 1 0 468.646 3.571 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001306723415 1069463526 /nfs/dbraw/zinc/46/35/26/1069463526.db2.gz QUERUYMOEUQVJD-GHTZIAJQSA-N 1 0 474.675 3.655 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001306723343 1069463562 /nfs/dbraw/zinc/46/35/62/1069463562.db2.gz RSZJAGRXEFACGB-HFZDXXHNSA-N 1 0 483.661 3.975 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001306724017 1069464689 /nfs/dbraw/zinc/46/46/89/1069464689.db2.gz XHJDPBQAOWBUBX-OTWHNJEPSA-N 1 0 459.664 3.580 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306725440 1069466321 /nfs/dbraw/zinc/46/63/21/1069466321.db2.gz DHVXMMZBARHAEY-VXKWHMMOSA-N 1 0 469.630 3.531 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001306724962 1069465887 /nfs/dbraw/zinc/46/58/87/1069465887.db2.gz APIZBGBISRPRLY-MOPGFXCFSA-N 1 0 474.600 3.503 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001306722739 1069461866 /nfs/dbraw/zinc/46/18/66/1069461866.db2.gz KRMGGKWKNKHZAX-LEWJYISDSA-N 1 0 476.666 3.540 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306726052 1069467649 /nfs/dbraw/zinc/46/76/49/1069467649.db2.gz JSWZPVUNCJEEGU-RTBURBONSA-N 1 0 471.568 3.784 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001306727054 1069471105 /nfs/dbraw/zinc/47/11/05/1069471105.db2.gz CBVVZLWIDGODQC-JTHBVZDNSA-N 1 0 489.686 3.824 20 0 JHADRO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cc2c(cc1Br)OCCO2 ZINC001311617818 1069469514 /nfs/dbraw/zinc/46/95/14/1069469514.db2.gz QNHZPSAPEIHNKJ-HZPDHXFCSA-N 1 0 452.393 3.941 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001306727264 1069470534 /nfs/dbraw/zinc/47/05/34/1069470534.db2.gz OWONUHZRRNZAQE-HSZRJFAPSA-N 1 0 470.662 3.754 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306726830 1069470547 /nfs/dbraw/zinc/47/05/47/1069470547.db2.gz NTFBEYHEEMLHJF-GOTSBHOMSA-N 1 0 474.694 3.869 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O ZINC001306727578 1069472810 /nfs/dbraw/zinc/47/28/10/1069472810.db2.gz FCYCZAIKHANPRI-ITTUMRLJSA-N 1 0 462.683 3.551 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(CC)C(=O)C1 ZINC001306728695 1069476082 /nfs/dbraw/zinc/47/60/82/1069476082.db2.gz VUKGGMQWTUFPFI-HXUWFJFHSA-N 1 0 488.627 3.860 20 0 JHADRO COC(=O)c1ccc2c(c1)CCN(C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1)C2 ZINC001311624046 1069473821 /nfs/dbraw/zinc/47/38/21/1069473821.db2.gz YISXNZPCLLPYLP-QHCPKHFHSA-N 1 0 451.567 3.777 20 0 JHADRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001311626440 1069476091 /nfs/dbraw/zinc/47/60/91/1069476091.db2.gz VPPNMSILIZILQW-CJFMBICVSA-N 1 0 452.599 3.671 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001306730084 1069480149 /nfs/dbraw/zinc/48/01/49/1069480149.db2.gz MCPLQQQQDNIRGU-XMMPIXPASA-N 1 0 482.673 3.925 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001306730103 1069480700 /nfs/dbraw/zinc/48/07/00/1069480700.db2.gz MFAWEQPMQDFEJQ-OAQYLSRUSA-N 1 0 488.702 3.802 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001306730997 1069484010 /nfs/dbraw/zinc/48/40/10/1069484010.db2.gz LGPCSLKJCZSCTO-VSKRKVRLSA-N 1 0 474.694 3.568 20 0 JHADRO C[C@H](CNC(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)C[NH+]1CCCCC1 ZINC001311638871 1069484376 /nfs/dbraw/zinc/48/43/76/1069484376.db2.gz REWQGMGTUCGSDD-XLIONFOSSA-N 1 0 454.537 3.618 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306731073 1069484455 /nfs/dbraw/zinc/48/44/55/1069484455.db2.gz ONYJKOOBWXHCOZ-RPWUZVMVSA-N 1 0 458.695 3.970 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306731584 1069486289 /nfs/dbraw/zinc/48/62/89/1069486289.db2.gz QXPWRGCWUNGABP-PWRODBHTSA-N 1 0 476.666 3.888 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001306731622 1069486975 /nfs/dbraw/zinc/48/69/75/1069486975.db2.gz RVAFJECFQHKHSW-BJESRGMDSA-N 1 0 477.694 3.908 20 0 JHADRO CC1CC[NH+]([C@@H](CNC(=O)NCCNc2nccc(C(F)(F)F)n2)c2ccccc2)CC1 ZINC001311651035 1069489224 /nfs/dbraw/zinc/48/92/24/1069489224.db2.gz BJABMAVAEDOYMR-SFHVURJKSA-N 1 0 450.509 3.680 20 0 JHADRO Cc1nccn1-c1ncccc1CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001311658824 1069491760 /nfs/dbraw/zinc/49/17/60/1069491760.db2.gz XRBGZKKUJROBOX-UWJYYQICSA-N 1 0 456.953 3.860 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001306733307 1069492757 /nfs/dbraw/zinc/49/27/57/1069492757.db2.gz NHTBBNXYJXJGIW-QNWVGRARSA-N 1 0 482.673 3.817 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC001311664987 1069493936 /nfs/dbraw/zinc/49/39/36/1069493936.db2.gz OUQQHWDMGGDVQB-YKSBVNFPSA-N 1 0 457.578 3.901 20 0 JHADRO Cc1ccc(NC(=O)COc2ccc(CCNC(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)cc2)cc1 ZINC001311690834 1069505246 /nfs/dbraw/zinc/50/52/46/1069505246.db2.gz IYCJAHMNNGAVJR-JOCHJYFZSA-N 1 0 452.599 3.727 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001306736427 1069503107 /nfs/dbraw/zinc/50/31/07/1069503107.db2.gz KRCNIZACLMTQKN-JOCHJYFZSA-N 1 0 452.647 3.952 20 0 JHADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001311694574 1069507212 /nfs/dbraw/zinc/50/72/12/1069507212.db2.gz NIAHVRHQSDJHFV-GBXCKJPGSA-N 1 0 457.640 3.773 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2CC[N@@H+]2CCc3ccccc3C2)C1 ZINC001306738602 1069510189 /nfs/dbraw/zinc/51/01/89/1069510189.db2.gz RREDKQXZXOZDJN-QHCPKHFHSA-N 1 0 452.647 3.593 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccn3C)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001306738098 1069508173 /nfs/dbraw/zinc/50/81/73/1069508173.db2.gz YYBYEYXQBMSMAL-PKTZIBPZSA-N 1 0 483.705 3.927 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCCC2)C1 ZINC001306738829 1069510590 /nfs/dbraw/zinc/51/05/90/1069510590.db2.gz VLNRTGXKROHYIU-HXUWFJFHSA-N 1 0 459.038 3.827 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001306740932 1069515122 /nfs/dbraw/zinc/51/51/22/1069515122.db2.gz XDYCVNFQFKVZPD-FYYLOGMGSA-N 1 0 469.678 3.537 20 0 JHADRO O=C(C[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1)NCc1ccc(F)cc1 ZINC001311712846 1069514553 /nfs/dbraw/zinc/51/45/53/1069514553.db2.gz JNTADHCIHSREIL-IFMALSPDSA-N 1 0 456.562 3.684 20 0 JHADRO O=C(C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1)NCc1ccc(F)cc1 ZINC001311712849 1069514580 /nfs/dbraw/zinc/51/45/80/1069514580.db2.gz JNTADHCIHSREIL-UNMCSNQZSA-N 1 0 456.562 3.684 20 0 JHADRO O=C(C[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1)NCc1ccc(F)cc1 ZINC001311712848 1069514640 /nfs/dbraw/zinc/51/46/40/1069514640.db2.gz JNTADHCIHSREIL-RBBKRZOGSA-N 1 0 456.562 3.684 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001306740876 1069514665 /nfs/dbraw/zinc/51/46/65/1069514665.db2.gz WLCOPPWJKJWDGO-QPPBQGQZSA-N 1 0 493.631 3.915 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCCC2)CC1 ZINC001306741039 1069515590 /nfs/dbraw/zinc/51/55/90/1069515590.db2.gz CBJYUJOBSMUNEW-UHFFFAOYSA-N 1 0 459.038 3.827 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](CN2CCCC2=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001311719620 1069518372 /nfs/dbraw/zinc/51/83/72/1069518372.db2.gz WQBXNKVNDJBJLN-XLIONFOSSA-N 1 0 454.537 3.742 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001306741939 1069519197 /nfs/dbraw/zinc/51/91/97/1069519197.db2.gz OUSKHPREONCQOQ-OAQYLSRUSA-N 1 0 456.635 3.854 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001306743713 1069523164 /nfs/dbraw/zinc/52/31/64/1069523164.db2.gz DWIGZIVXJNWUJO-NRFANRHFSA-N 1 0 469.678 3.774 20 0 JHADRO COC(=O)c1cnc([C@@H]2CCCN(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCC3)C2)s1 ZINC001311764190 1069537739 /nfs/dbraw/zinc/53/77/39/1069537739.db2.gz DXLRJBZXGXKMJX-WOJBJXKFSA-N 1 0 456.612 3.964 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001311762279 1069536727 /nfs/dbraw/zinc/53/67/27/1069536727.db2.gz CDHWPXMTKDXWRA-MOPGFXCFSA-N 1 0 450.649 3.953 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001311762280 1069537296 /nfs/dbraw/zinc/53/72/96/1069537296.db2.gz CDHWPXMTKDXWRA-OALUTQOASA-N 1 0 450.649 3.953 20 0 JHADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC001311774658 1069541002 /nfs/dbraw/zinc/54/10/02/1069541002.db2.gz HIMDHSGKLIIJSB-DNQXCXABSA-N 1 0 455.574 3.762 20 0 JHADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC001311790158 1069546279 /nfs/dbraw/zinc/54/62/79/1069546279.db2.gz KAFHDNUMULZUFO-UHFFFAOYSA-N 1 0 456.052 3.978 20 0 JHADRO CCCN(CC[NH+]1CCCCC1)C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC001311796433 1069549708 /nfs/dbraw/zinc/54/97/08/1069549708.db2.gz AQYZBNKRBNMWNJ-UHFFFAOYSA-N 1 0 453.425 3.994 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C[C@H]1c1ccc(F)cc1F ZINC001311808539 1069553865 /nfs/dbraw/zinc/55/38/65/1069553865.db2.gz DQUGDNZGUBPMBS-QKNQBKEWSA-N 1 0 461.509 3.601 20 0 JHADRO CC[C@H](NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001311809561 1069554268 /nfs/dbraw/zinc/55/42/68/1069554268.db2.gz LKVOVEVWXWHREB-JBRSBNLGSA-N 1 0 454.615 3.704 20 0 JHADRO C[C@H](NC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311820540 1069559943 /nfs/dbraw/zinc/55/99/43/1069559943.db2.gz RZRQQDFIRKJNJM-QKMWGZLOSA-N 1 0 450.480 3.911 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC001311820895 1069560437 /nfs/dbraw/zinc/56/04/37/1069560437.db2.gz ATDGJAPCOADKFJ-NZQKXSOJSA-N 1 0 454.590 3.682 20 0 JHADRO CCCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001306763109 1069563817 /nfs/dbraw/zinc/56/38/17/1069563817.db2.gz PDOSSFSOLWSIEG-OAQYLSRUSA-N 1 0 492.462 3.825 20 0 JHADRO CCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](C)C[NH+]1CCCC1 ZINC001306765506 1069567274 /nfs/dbraw/zinc/56/72/74/1069567274.db2.gz IKZDKRDTNPBQML-LJQANCHMSA-N 1 0 451.619 3.814 20 0 JHADRO CCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001306765493 1069567295 /nfs/dbraw/zinc/56/72/95/1069567295.db2.gz HXFDYNBUVJCQFE-LJQANCHMSA-N 1 0 451.619 3.957 20 0 JHADRO C[NH+](C)CC[C@H](NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)C(C)(C)C ZINC001311837088 1069572063 /nfs/dbraw/zinc/57/20/63/1069572063.db2.gz IUNPDTVIDJDPDK-PMACEKPBSA-N 1 0 458.569 3.744 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ncccc2C)C1 ZINC001306778697 1069574455 /nfs/dbraw/zinc/57/44/55/1069574455.db2.gz AXJJLBRXRUTPID-FQEVSTJZSA-N 1 0 464.614 3.882 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)OC)C1 ZINC001306778997 1069575028 /nfs/dbraw/zinc/57/50/28/1069575028.db2.gz CODSLJUXZJENTN-IRXDYDNUSA-N 1 0 450.425 3.911 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(Cl)cc2F)C1 ZINC001306779849 1069575908 /nfs/dbraw/zinc/57/59/08/1069575908.db2.gz JNQSFJHNZMALSM-MHECFPHRSA-N 1 0 480.028 3.939 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c(C)noc2C)C1 ZINC001306779496 1069575958 /nfs/dbraw/zinc/57/59/58/1069575958.db2.gz HCMKXRROQGCDGG-MRXNPFEDSA-N 1 0 476.423 3.857 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(Cl)cc2F)C1 ZINC001306779848 1069575997 /nfs/dbraw/zinc/57/59/97/1069575997.db2.gz JNQSFJHNZMALSM-KOSHJBKYSA-N 1 0 480.028 3.939 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)c2ccco2)C1 ZINC001306779891 1069576450 /nfs/dbraw/zinc/57/64/50/1069576450.db2.gz JSYWFXOMFJWKET-OPAMFIHVSA-N 1 0 491.434 3.705 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001306783802 1069583696 /nfs/dbraw/zinc/58/36/96/1069583696.db2.gz PIBLTIPMGHZZTA-ACRUOGEOSA-N 1 0 478.682 3.849 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC001306782026 1069580432 /nfs/dbraw/zinc/58/04/32/1069580432.db2.gz ITHQSHYAPVEZIR-GMAHTHKFSA-N 1 0 482.673 3.910 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001306783948 1069583648 /nfs/dbraw/zinc/58/36/48/1069583648.db2.gz KSKLKFRVZDZAPR-RTWAWAEBSA-N 1 0 483.661 3.908 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(C)(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 ZINC001306784098 1069584085 /nfs/dbraw/zinc/58/40/85/1069584085.db2.gz OHZFXXXIEONHSD-QGZVFWFLSA-N 1 0 472.625 3.904 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1 ZINC001306784620 1069584720 /nfs/dbraw/zinc/58/47/20/1069584720.db2.gz QOWOPSMKMWBOIN-FDFHNCONSA-N 1 0 492.709 3.843 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc3ccccc3s2)C1 ZINC001306784829 1069585319 /nfs/dbraw/zinc/58/53/19/1069585319.db2.gz TXLRNHLIKYAFFT-GOSISDBHSA-N 1 0 454.644 3.847 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001306784965 1069586102 /nfs/dbraw/zinc/58/61/02/1069586102.db2.gz NVFCTJDFVQXEED-JOCHJYFZSA-N 1 0 478.641 3.959 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2ccnn2)C1 ZINC001306785282 1069586803 /nfs/dbraw/zinc/58/68/03/1069586803.db2.gz PDIHOYLDJFHOIV-KRWDZBQOSA-N 1 0 460.989 3.588 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(OC)c2)C1 ZINC001306785635 1069587518 /nfs/dbraw/zinc/58/75/18/1069587518.db2.gz QYIFHDWCTNYXHS-FQEVSTJZSA-N 1 0 452.603 3.517 20 0 JHADRO CN(C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001311866488 1069587943 /nfs/dbraw/zinc/58/79/43/1069587943.db2.gz XVTSJKSALRQGMJ-SDHOMARFSA-N 1 0 450.627 3.863 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(Br)n2)C1 ZINC001306786616 1069589713 /nfs/dbraw/zinc/58/97/13/1069589713.db2.gz XNXAKCKGNGSSML-KRWDZBQOSA-N 1 0 470.419 3.714 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001306786665 1069589750 /nfs/dbraw/zinc/58/97/50/1069589750.db2.gz YDFKMCQNENLZQK-OAQYLSRUSA-N 1 0 482.673 3.770 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001306786673 1069589924 /nfs/dbraw/zinc/58/99/24/1069589924.db2.gz YHZZLCIGPVBPCR-SFHVURJKSA-N 1 0 480.078 3.734 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2snnc2C)C1 ZINC001306788320 1069593446 /nfs/dbraw/zinc/59/34/46/1069593446.db2.gz NPOJECQPTXCZSW-MRXNPFEDSA-N 1 0 461.586 3.523 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001306786749 1069590537 /nfs/dbraw/zinc/59/05/37/1069590537.db2.gz XCGIZYPPRRQSGV-NRFANRHFSA-N 1 0 496.059 3.820 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2nnc(C(C)(C)C)s2)C1 ZINC001306787391 1069590923 /nfs/dbraw/zinc/59/09/23/1069590923.db2.gz CJFKRSYCQHJRPR-GOSISDBHSA-N 1 0 468.675 3.629 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCO[C@@H](C)C2)C1 ZINC001306788432 1069593738 /nfs/dbraw/zinc/59/37/38/1069593738.db2.gz PHDOBULOSGIIJY-FKBYEOEOSA-N 1 0 455.647 3.861 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 ZINC001306787895 1069592344 /nfs/dbraw/zinc/59/23/44/1069592344.db2.gz FFXRYNTZSKLHKK-TYBLODHISA-N 1 0 473.687 3.587 20 0 JHADRO Cn1nccc1[C@@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCO1 ZINC001311878879 1069593363 /nfs/dbraw/zinc/59/33/63/1069593363.db2.gz HGILCSUVZGWYEY-ZCYQVOJMSA-N 1 0 453.631 3.674 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001306789347 1069594701 /nfs/dbraw/zinc/59/47/01/1069594701.db2.gz VYVLFRWVIGTHCD-FQEVSTJZSA-N 1 0 485.677 3.735 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(C)n(C)c2=O)C1 ZINC001306789912 1069595385 /nfs/dbraw/zinc/59/53/85/1069595385.db2.gz SLXONPVILOPMLD-QHCPKHFHSA-N 1 0 492.668 3.697 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001306790030 1069596103 /nfs/dbraw/zinc/59/61/03/1069596103.db2.gz UNHDBXSSHRPNFJ-WOJBJXKFSA-N 1 0 484.636 3.983 20 0 JHADRO CCCN(CC)c1nnc(-c2cc3ccccc3o2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001306791110 1069597518 /nfs/dbraw/zinc/59/75/18/1069597518.db2.gz MVIUDNXJQDSAEH-HXUWFJFHSA-N 1 0 452.603 3.870 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001306797771 1069602632 /nfs/dbraw/zinc/60/26/32/1069602632.db2.gz DTWVUJCHVWDPAW-KDURUIRLSA-N 1 0 475.707 3.761 20 0 JHADRO CCCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001306792616 1069599149 /nfs/dbraw/zinc/59/91/49/1069599149.db2.gz UEWCUEIATIUVAM-IRXDYDNUSA-N 1 0 467.456 3.782 20 0 JHADRO CCCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[N@@H+]1CCC ZINC001306795379 1069601705 /nfs/dbraw/zinc/60/17/05/1069601705.db2.gz ISUPRPASUMMSND-IBGZPJMESA-N 1 0 461.680 3.657 20 0 JHADRO Cc1cccc(COc2c(C)cc(CN(C)C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)cc2C)c1 ZINC001311898286 1069604024 /nfs/dbraw/zinc/60/40/24/1069604024.db2.gz TVBBRSPFYRACSR-QHCPKHFHSA-N 1 0 452.643 3.968 20 0 JHADRO CCC[N@H+](CC)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001306798342 1069604312 /nfs/dbraw/zinc/60/43/12/1069604312.db2.gz UUKDLHIISUMEPG-FQEVSTJZSA-N 1 0 456.635 3.883 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001306798389 1069604354 /nfs/dbraw/zinc/60/43/54/1069604354.db2.gz WBEJZOQKOFPFTA-NRFANRHFSA-N 1 0 454.619 3.631 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(C)C)C1 ZINC001306798517 1069604422 /nfs/dbraw/zinc/60/44/22/1069604422.db2.gz ZGAFZFBTLMEWDJ-FQEVSTJZSA-N 1 0 475.707 3.761 20 0 JHADRO CCCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001306800747 1069605739 /nfs/dbraw/zinc/60/57/39/1069605739.db2.gz LPEHRFNNIIBYJT-PMACEKPBSA-N 1 0 451.681 3.600 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2ccnn2C)CC1 ZINC001306801935 1069607427 /nfs/dbraw/zinc/60/74/27/1069607427.db2.gz CBBAHVNGBRVLQP-UHFFFAOYSA-N 1 0 471.600 3.997 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)NCCc3nc(C(C)(C)C)cs3)CC2)cc1 ZINC001311904941 1069607817 /nfs/dbraw/zinc/60/78/17/1069607817.db2.gz JHAAZUMIJUQBKP-UHFFFAOYSA-N 1 0 457.644 3.905 20 0 JHADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001311908642 1069608440 /nfs/dbraw/zinc/60/84/40/1069608440.db2.gz ZBCCKNOMRLTLQP-GOSISDBHSA-N 1 0 454.434 3.681 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001306803006 1069610874 /nfs/dbraw/zinc/61/08/74/1069610874.db2.gz UPFRDZIMPQFUFJ-UHFFFAOYSA-N 1 0 470.662 3.966 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C(=O)NC)CC1 ZINC001306803456 1069612335 /nfs/dbraw/zinc/61/23/35/1069612335.db2.gz WZMXINZPMGNWPP-UHFFFAOYSA-N 1 0 495.441 3.541 20 0 JHADRO CCO[C@@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CC2([NH+](C)C)CCCC2)CCOC1 ZINC001314151361 1069612423 /nfs/dbraw/zinc/61/24/23/1069612423.db2.gz KFTPDOIWDXUMPL-SVMVAKDDSA-N 1 0 455.594 3.532 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@H]1C ZINC001306803891 1069612887 /nfs/dbraw/zinc/61/28/87/1069612887.db2.gz GCMKTCLLKAUGEV-RTBURBONSA-N 1 0 451.619 3.642 20 0 JHADRO CCC[N@H+](CC)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001306804307 1069613103 /nfs/dbraw/zinc/61/31/03/1069613103.db2.gz MHEFJBSTDDUSLZ-NRFANRHFSA-N 1 0 492.709 3.987 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC001306804321 1069613610 /nfs/dbraw/zinc/61/36/10/1069613610.db2.gz MQTYILVLSQICTC-CTNGQTDRSA-N 1 0 492.462 3.854 20 0 JHADRO CCCCO[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1(C)C ZINC001311926672 1069615906 /nfs/dbraw/zinc/61/59/06/1069615906.db2.gz BQCBVXRIYYKESM-DNVJHFABSA-N 1 0 458.647 3.509 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001306805619 1069616477 /nfs/dbraw/zinc/61/64/77/1069616477.db2.gz AEDBKNFWVQJFEZ-UHFFFAOYSA-N 1 0 470.618 3.655 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001306806485 1069618685 /nfs/dbraw/zinc/61/86/85/1069618685.db2.gz LWBFNECMWVPIGF-HSZRJFAPSA-N 1 0 469.609 3.589 20 0 JHADRO C[C@H](CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)CN(C)C(=O)OC(C)(C)C ZINC001311931420 1069619302 /nfs/dbraw/zinc/61/93/02/1069619302.db2.gz YWLCWWDTVYIFSY-LJQANCHMSA-N 1 0 454.656 3.602 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001306806938 1069620052 /nfs/dbraw/zinc/62/00/52/1069620052.db2.gz OYVCQPHWGMOTIA-LADGPHEKSA-N 1 0 465.646 3.838 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001306806812 1069620220 /nfs/dbraw/zinc/62/02/20/1069620220.db2.gz IUEXTCFXMMIVHK-HSZRJFAPSA-N 1 0 451.619 3.551 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001306806813 1069620333 /nfs/dbraw/zinc/62/03/33/1069620333.db2.gz IUEXTCFXMMIVHK-QHCPKHFHSA-N 1 0 451.619 3.551 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001306807840 1069622910 /nfs/dbraw/zinc/62/29/10/1069622910.db2.gz BVZXLHLFSBFGJG-HSALFYBXSA-N 1 0 478.682 3.642 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001306809197 1069627327 /nfs/dbraw/zinc/62/73/27/1069627327.db2.gz WQOLFKZOIWKPQB-BDTNDASRSA-N 1 0 490.693 3.945 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001306809261 1069628149 /nfs/dbraw/zinc/62/81/49/1069628149.db2.gz ZALKSHUHOWHZEK-SLFFLAALSA-N 1 0 478.682 3.784 20 0 JHADRO O=C(NCc1cccc(NC(=O)Nc2ccccc2)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001311956646 1069635311 /nfs/dbraw/zinc/63/53/11/1069635311.db2.gz ZLRRAPZJIVQIRR-HSZRJFAPSA-N 1 0 451.571 3.773 20 0 JHADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C1 ZINC001311952473 1069631811 /nfs/dbraw/zinc/63/18/11/1069631811.db2.gz GWOKWYJQPPIGDR-KRWDZBQOSA-N 1 0 450.027 3.996 20 0 JHADRO CCCN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001306812316 1069633001 /nfs/dbraw/zinc/63/30/01/1069633001.db2.gz HAYIKSNUTCFWCG-UYAOXDASSA-N 1 0 495.640 3.607 20 0 JHADRO CCCN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001306812312 1069633040 /nfs/dbraw/zinc/63/30/40/1069633040.db2.gz HAYIKSNUTCFWCG-ICSRJNTNSA-N 1 0 495.640 3.607 20 0 JHADRO CCCN(Cc1ccc(F)cc1F)c1nnc(-c2cnccn2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001306812989 1069633788 /nfs/dbraw/zinc/63/37/88/1069633788.db2.gz KHCALCOIDNLMBS-IBGZPJMESA-N 1 0 485.583 3.931 20 0 JHADRO C[NH+](C)CC[C@H](NC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)C(C)(C)C ZINC001311954991 1069633934 /nfs/dbraw/zinc/63/39/34/1069633934.db2.gz UTOFLJYUNVKVPL-MGPUTAFESA-N 1 0 452.562 3.984 20 0 JHADRO CCn1cc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(=O)c2cc(Cl)ccc21 ZINC001306824946 1069645250 /nfs/dbraw/zinc/64/52/50/1069645250.db2.gz XEOZVLVEFMYKGH-HXUWFJFHSA-N 1 0 453.970 3.562 20 0 JHADRO CCOc1cc(CCCn2c(C(C)C)nnc2N2CC[NH+](C3CCOCC3)CC2)ccc1OC ZINC001314160814 1069645331 /nfs/dbraw/zinc/64/53/31/1069645331.db2.gz FUCMURQBRDUKSO-UHFFFAOYSA-N 1 0 471.646 3.743 20 0 JHADRO CCOc1cc(CCCn2c([C@H]3CCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)ccc1OC ZINC001314160873 1069645972 /nfs/dbraw/zinc/64/59/72/1069645972.db2.gz HCWQUJZBEUDHOS-NRFANRHFSA-N 1 0 471.646 3.743 20 0 JHADRO Cc1ccc([C@@H](NC(=O)N(C)CC[NH+]2CCCCC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001311968792 1069642540 /nfs/dbraw/zinc/64/25/40/1069642540.db2.gz ODNBEDCAJWBKMG-DEOSSOPVSA-N 1 0 457.640 3.924 20 0 JHADRO CCOc1cc(Cn2c([C@H]3CCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)ccc1OC ZINC001314162660 1069652961 /nfs/dbraw/zinc/65/29/61/1069652961.db2.gz CBZJGTKDSAVIEP-NRFANRHFSA-N 1 0 471.646 3.796 20 0 JHADRO CCOc1ccccc1[C@](N)(C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)C(F)(F)F ZINC001306841057 1069654289 /nfs/dbraw/zinc/65/42/89/1069654289.db2.gz ORKQSDRQCQLELH-QHCPKHFHSA-N 1 0 458.484 3.699 20 0 JHADRO 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CCOc1ccc(-c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001314170160 1069679294 /nfs/dbraw/zinc/67/92/94/1069679294.db2.gz KPWKFVIGFODNET-WIYYLYMNSA-N 1 0 457.619 3.555 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@@H]3C)n2Cc2nnc(CC)s2)cc1OC ZINC001314170080 1069679327 /nfs/dbraw/zinc/67/93/27/1069679327.db2.gz YCODBQBOBMUKBZ-SJORKVTESA-N 1 0 485.658 3.734 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](CC)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC001314170879 1069683553 /nfs/dbraw/zinc/68/35/53/1069683553.db2.gz WGBZAMXZQISQPT-ZJOUEHCJSA-N 1 0 457.619 3.840 20 0 JHADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001312038515 1069687489 /nfs/dbraw/zinc/68/74/89/1069687489.db2.gz WQCDBWJILRHPHJ-RBUKOAKNSA-N 1 0 450.421 3.524 20 0 JHADRO CC[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)Cc1cccc(Br)c1 ZINC001312033149 1069685547 /nfs/dbraw/zinc/68/55/47/1069685547.db2.gz KNGZZARKNFZYAH-UTKZUKDTSA-N 1 0 452.437 3.960 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(C)(COC)CC3)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001314171550 1069685935 /nfs/dbraw/zinc/68/59/35/1069685935.db2.gz ANCZQMHQMXTPCX-UHFFFAOYSA-N 1 0 469.630 3.867 20 0 JHADRO O=C(NCc1cc(F)ccc1N1CCOCC1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001312034761 1069686318 /nfs/dbraw/zinc/68/63/18/1069686318.db2.gz QXUSCOZRMBFFHI-DEOSSOPVSA-N 1 0 454.590 3.906 20 0 JHADRO COc1ccc(CC[C@H]2CCCCN2C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1OC ZINC001312037508 1069686917 /nfs/dbraw/zinc/68/69/17/1069686917.db2.gz OBUITUVWXKFPOE-FYYLOGMGSA-N 1 0 459.631 3.701 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@@H](C(=O)OC)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001314171879 1069688057 /nfs/dbraw/zinc/68/80/57/1069688057.db2.gz JZTYWEMJEVEWOO-IFMALSPDSA-N 1 0 499.656 3.862 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCC(=O)NC2CC2)cc1OC ZINC001314174179 1069696632 /nfs/dbraw/zinc/69/66/32/1069696632.db2.gz PJOIJNWZQZCGBW-UHFFFAOYSA-N 1 0 498.672 3.722 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@H](C(=O)NC)C3)n2CCCc2cccc(C)n2)cc1OC ZINC001314175148 1069700383 /nfs/dbraw/zinc/70/03/83/1069700383.db2.gz XAMRPGXJPJACFU-NRFANRHFSA-N 1 0 492.624 3.651 20 0 JHADRO CCC[NH+](CCC)CCCn1c(C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001307005359 1069700855 /nfs/dbraw/zinc/70/08/55/1069700855.db2.gz SCCUJLXJMAFYCS-UHFFFAOYSA-N 1 0 465.017 3.854 20 0 JHADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001312066200 1069702793 /nfs/dbraw/zinc/70/27/93/1069702793.db2.gz JLQKNCVRNUFNOY-UCGXPXSYSA-N 1 0 452.643 3.732 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCCOCC3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001314175515 1069702890 /nfs/dbraw/zinc/70/28/90/1069702890.db2.gz WQYVITUBRPQADE-FQEVSTJZSA-N 1 0 457.619 3.700 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC[N@H+](C)C(C)C)cc1OC ZINC001314175767 1069703388 /nfs/dbraw/zinc/70/33/88/1069703388.db2.gz DUTXOVJYJQPHFM-UHFFFAOYSA-N 1 0 485.551 3.586 20 0 JHADRO C[NH+](C)C[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC001312069375 1069704353 /nfs/dbraw/zinc/70/43/53/1069704353.db2.gz STZOZLKJZQOZIA-ZWKOTPCHSA-N 1 0 458.525 3.911 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1OC ZINC001314176010 1069704419 /nfs/dbraw/zinc/70/44/19/1069704419.db2.gz RPMXYAYBRSYZDK-VWPQPMDRSA-N 1 0 471.646 3.682 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@H]3CSC)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001314177673 1069711752 /nfs/dbraw/zinc/71/17/52/1069711752.db2.gz VNKZJSPGQYUEGA-FQEVSTJZSA-N 1 0 457.644 3.946 20 0 JHADRO CCCN(CCc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001307012374 1069715583 /nfs/dbraw/zinc/71/55/83/1069715583.db2.gz QYXWTYDPGHZEBU-XMMPIXPASA-N 1 0 455.628 3.541 20 0 JHADRO CCCN(CCn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC001307012831 1069717315 /nfs/dbraw/zinc/71/73/15/1069717315.db2.gz KDJOIRQSBGBYNS-UHFFFAOYSA-N 1 0 485.677 3.832 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC001314179866 1069720687 /nfs/dbraw/zinc/72/06/87/1069720687.db2.gz UVOMHIPXXFFSAZ-SFHVURJKSA-N 1 0 496.578 3.521 20 0 JHADRO CCOc1ccc([C@H]2CCCN2c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](CC)C(C)C)cc1 ZINC001314179986 1069721321 /nfs/dbraw/zinc/72/13/21/1069721321.db2.gz ASJKTRFIDMOOGU-JTHBVZDNSA-N 1 0 489.686 3.651 20 0 JHADRO C[NH+](C)C[C@@H](NC(=O)NCCCc1nnc2n1CCCCC2)c1ccc(Cl)c(Cl)c1 ZINC001312108139 1069724300 /nfs/dbraw/zinc/72/43/00/1069724300.db2.gz SOBXKBGUZAQPTR-GOSISDBHSA-N 1 0 453.418 3.846 20 0 JHADRO CCOc1ccc([C@H]2CCCN2c2nnc(CN3CCCC3=O)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001314181389 1069725213 /nfs/dbraw/zinc/72/52/13/1069725213.db2.gz YRXQXBRMPQSVPM-JOCHJYFZSA-N 1 0 468.646 3.729 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001314181990 1069726468 /nfs/dbraw/zinc/72/64/68/1069726468.db2.gz YXLHCPUJFPNMPW-OAQYLSRUSA-N 1 0 479.629 3.899 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001314182069 1069727153 /nfs/dbraw/zinc/72/71/53/1069727153.db2.gz BPTVVARJAWLXNU-QFIPXVFZSA-N 1 0 482.654 3.914 20 0 JHADRO CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001307019874 1069729114 /nfs/dbraw/zinc/72/91/14/1069729114.db2.gz NBIHYILPRJOPGV-UHFFFAOYSA-N 1 0 459.660 3.851 20 0 JHADRO CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001307025543 1069733218 /nfs/dbraw/zinc/73/32/18/1069733218.db2.gz JRGYNOZDWJVQDT-QHCPKHFHSA-N 1 0 454.663 3.837 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(Nc3ccccc3Cl)CC2)C1 ZINC001307028904 1069735613 /nfs/dbraw/zinc/73/56/13/1069735613.db2.gz CQPHKCSEEAJCAI-LJQANCHMSA-N 1 0 488.080 3.883 20 0 JHADRO CCc1ccc([C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001312130219 1069736685 /nfs/dbraw/zinc/73/66/85/1069736685.db2.gz LIGNMRUWRUURNN-HSZRJFAPSA-N 1 0 457.640 3.773 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCc3ccc(Cl)nc3C2)C1 ZINC001307029542 1069736851 /nfs/dbraw/zinc/73/68/51/1069736851.db2.gz MUKTVBADHFYWII-KRWDZBQOSA-N 1 0 474.053 3.540 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC001307029450 1069737064 /nfs/dbraw/zinc/73/70/64/1069737064.db2.gz LZBIGNCTYSKQSQ-HNNXBMFYSA-N 1 0 496.500 3.567 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(CC)Cc2ccc(F)cc2)CC1 ZINC001307030433 1069738389 /nfs/dbraw/zinc/73/83/89/1069738389.db2.gz XGHNJIBRGOUZBJ-UHFFFAOYSA-N 1 0 456.610 3.802 20 0 JHADRO CCOc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001314185617 1069738508 /nfs/dbraw/zinc/73/85/08/1069738508.db2.gz VHGPELPAQGRLRL-BJKOFHAPSA-N 1 0 471.646 3.912 20 0 JHADRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc3cccc(OC)c3)ccc2NC1=O ZINC001312135086 1069740927 /nfs/dbraw/zinc/74/09/27/1069740927.db2.gz MPFWAMSCHFKVGM-VGSWGCGISA-N 1 0 454.571 3.639 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@@H](NC(C)=O)C2)C1 ZINC001307031365 1069741546 /nfs/dbraw/zinc/74/15/46/1069741546.db2.gz DIQMDNKLTRXEKI-YFNKSVMNSA-N 1 0 482.673 3.872 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001307032516 1069744513 /nfs/dbraw/zinc/74/45/13/1069744513.db2.gz CUJDCAWXQYLPQR-UHFFFAOYSA-N 1 0 490.599 3.727 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001307032760 1069746266 /nfs/dbraw/zinc/74/62/66/1069746266.db2.gz WYICTZGMUSHEMW-UHFFFAOYSA-N 1 0 472.634 3.883 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCSC[C@H]2C)C1 ZINC001307033068 1069747051 /nfs/dbraw/zinc/74/70/51/1069747051.db2.gz MGNFDEGOJVWYOR-HZPDHXFCSA-N 1 0 467.481 3.720 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCS(=O)CC2)C1 ZINC001307034745 1069751506 /nfs/dbraw/zinc/75/15/06/1069751506.db2.gz RDVWWQSMCGNMNU-PMACEKPBSA-N 1 0 494.105 3.989 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)CC)nnc2N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC001307035162 1069751853 /nfs/dbraw/zinc/75/18/53/1069751853.db2.gz JVUQVWWAHKVLDF-LEWJYISDSA-N 1 0 452.647 3.922 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001307034904 1069752059 /nfs/dbraw/zinc/75/20/59/1069752059.db2.gz SNMKHTJAWOHGEZ-JKSUJKDBSA-N 1 0 495.491 3.593 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001307033438 1069748348 /nfs/dbraw/zinc/74/83/48/1069748348.db2.gz LAZMRWXJNKEGPY-NRFANRHFSA-N 1 0 480.078 3.734 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)c2cccs2)C1 ZINC001307035673 1069754476 /nfs/dbraw/zinc/75/44/76/1069754476.db2.gz LMQIFBWOWDAZET-ZWKOTPCHSA-N 1 0 453.616 3.916 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H](C)CC)nnc2N2CCN(C(=O)c3ccc(C)cc3)CC2)C1 ZINC001307035721 1069754494 /nfs/dbraw/zinc/75/44/94/1069754494.db2.gz MFQMDAOROHDRBR-FGZHOGPDSA-N 1 0 452.647 3.794 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(OC)cc2OC)C1 ZINC001307035538 1069754558 /nfs/dbraw/zinc/75/45/58/1069754558.db2.gz SVKBFWAKWGJHNT-LJQANCHMSA-N 1 0 452.603 3.669 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)c2cccs2)C1 ZINC001307035671 1069754624 /nfs/dbraw/zinc/75/46/24/1069754624.db2.gz LMQIFBWOWDAZET-QZTJIDSGSA-N 1 0 453.616 3.916 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001307037332 1069758341 /nfs/dbraw/zinc/75/83/41/1069758341.db2.gz BDMDQOXQMJIUSH-SJORKVTESA-N 1 0 498.981 3.835 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(C)C)nnc2N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)C1 ZINC001307037125 1069758402 /nfs/dbraw/zinc/75/84/02/1069758402.db2.gz SLKFRSLAFSFCRC-LEWJYISDSA-N 1 0 453.635 3.692 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(=O)NCC)CC2)C1 ZINC001307036482 1069757210 /nfs/dbraw/zinc/75/72/10/1069757210.db2.gz WOJVJPNEVFQRML-XZOQPEGZSA-N 1 0 497.688 3.618 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001307037685 1069758987 /nfs/dbraw/zinc/75/89/87/1069758987.db2.gz FGQKWBFKVODDBV-UHFFFAOYSA-N 1 0 482.673 3.818 20 0 JHADRO COc1cccc(C(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c2cccc(OC)c2)c1 ZINC001312166559 1069761179 /nfs/dbraw/zinc/76/11/79/1069761179.db2.gz HOZVVVQIURMWMX-LJQANCHMSA-N 1 0 453.583 3.688 20 0 JHADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC001312167680 1069761992 /nfs/dbraw/zinc/76/19/92/1069761992.db2.gz BYGANPKLAHYSHJ-KMFTYDHNSA-N 1 0 452.437 3.696 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001307039235 1069763810 /nfs/dbraw/zinc/76/38/10/1069763810.db2.gz PNSOODGTYGDASG-OAQYLSRUSA-N 1 0 459.610 3.836 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N(C)C3CCC3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001314194141 1069763104 /nfs/dbraw/zinc/76/31/04/1069763104.db2.gz QPBRLNHRVDLNLN-IBGZPJMESA-N 1 0 457.619 3.916 20 0 JHADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)CC1 ZINC001312170884 1069764403 /nfs/dbraw/zinc/76/44/03/1069764403.db2.gz DOQWMINYKBHDGE-MHZLTWQESA-N 1 0 454.659 3.693 20 0 JHADRO COc1ccc(CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@H](C)C2CC2)cc1 ZINC001312171819 1069764851 /nfs/dbraw/zinc/76/48/51/1069764851.db2.gz VWWSBZZRKMFWLW-LJQANCHMSA-N 1 0 458.647 3.632 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001314194661 1069765265 /nfs/dbraw/zinc/76/52/65/1069765265.db2.gz CHVREZBSBGZDEZ-TXTKFYIRSA-N 1 0 498.672 3.639 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)OCC)CC2)CC1 ZINC001307040563 1069766717 /nfs/dbraw/zinc/76/67/17/1069766717.db2.gz OJQMMNUJIQOUQU-UHFFFAOYSA-N 1 0 468.646 3.578 20 0 JHADRO CC(C)[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H](O)c1ccc(Cl)cc1 ZINC001312177475 1069767589 /nfs/dbraw/zinc/76/75/89/1069767589.db2.gz GACSLMHPMIZJPD-VXKWHMMOSA-N 1 0 452.039 3.980 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001307041810 1069769981 /nfs/dbraw/zinc/76/99/81/1069769981.db2.gz MMOYSSRXIQQWPN-HSZRJFAPSA-N 1 0 496.700 3.981 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)CC(=O)Nc2ccccc2CC)C1 ZINC001307042127 1069771495 /nfs/dbraw/zinc/77/14/95/1069771495.db2.gz IMKFEPWRBHCPLA-OFNKIYASSA-N 1 0 468.646 3.889 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CCCSC)CC1 ZINC001307042944 1069773808 /nfs/dbraw/zinc/77/38/08/1069773808.db2.gz MGHLMIPOEPWBCU-UHFFFAOYSA-N 1 0 469.659 3.905 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC3CC3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001307042839 1069773835 /nfs/dbraw/zinc/77/38/35/1069773835.db2.gz VQBSRFFYKQDOBH-OAQYLSRUSA-N 1 0 460.667 3.798 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307043056 1069773845 /nfs/dbraw/zinc/77/38/45/1069773845.db2.gz YGIFDIFWNIHFGF-XZOQPEGZSA-N 1 0 482.673 3.899 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC3CC3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001307042838 1069773865 /nfs/dbraw/zinc/77/38/65/1069773865.db2.gz VQBSRFFYKQDOBH-NRFANRHFSA-N 1 0 460.667 3.798 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccccc3OCC)nnc2N2CCOC(C)(C)C2)CC1 ZINC001307043810 1069776066 /nfs/dbraw/zinc/77/60/66/1069776066.db2.gz BMKBTYJGISKDGR-UHFFFAOYSA-N 1 0 471.646 3.993 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC001314196834 1069776435 /nfs/dbraw/zinc/77/64/35/1069776435.db2.gz CJDLDHUWEJXERK-PLACYPQZSA-N 1 0 457.619 3.772 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC001312205103 1069779987 /nfs/dbraw/zinc/77/99/87/1069779987.db2.gz VBEJDARJXHRELP-UIOOFZCWSA-N 1 0 451.611 3.965 20 0 JHADRO CC1(C)[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H]1OCc1ccccc1 ZINC001312205277 1069779998 /nfs/dbraw/zinc/77/99/98/1069779998.db2.gz KZKJSUYHWZDVFY-DQEYMECFSA-N 1 0 451.611 3.826 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)C1 ZINC001307045049 1069779705 /nfs/dbraw/zinc/77/97/05/1069779705.db2.gz CEUGYTBTMZRZEC-FGZHOGPDSA-N 1 0 470.687 3.716 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCC([C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC001307044634 1069778746 /nfs/dbraw/zinc/77/87/46/1069778746.db2.gz HMMORVFVIVVCNZ-DVECYGJZSA-N 1 0 459.610 3.636 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001314197663 1069780149 /nfs/dbraw/zinc/78/01/49/1069780149.db2.gz NKUDZRKYTANJPA-LEWJYISDSA-N 1 0 498.672 3.641 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 ZINC001307046612 1069784482 /nfs/dbraw/zinc/78/44/82/1069784482.db2.gz WTKWQVBXAVIFBN-VWNXMTODSA-N 1 0 455.647 3.870 20 0 JHADRO CN(C[C@@]1(O)CCc2ccccc21)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001312206014 1069781541 /nfs/dbraw/zinc/78/15/41/1069781541.db2.gz ZDSOVSOFZIODQV-MHZLTWQESA-N 1 0 451.611 3.533 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccc2)C1 ZINC001307046328 1069785372 /nfs/dbraw/zinc/78/53/72/1069785372.db2.gz YJIQYALTKIKZNY-GOTSBHOMSA-N 1 0 498.672 3.955 20 0 JHADRO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001312216051 1069787291 /nfs/dbraw/zinc/78/72/91/1069787291.db2.gz BSQSZVADRQWLMH-NDBXHCKUSA-N 1 0 454.590 3.550 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001307047016 1069787600 /nfs/dbraw/zinc/78/76/00/1069787600.db2.gz PVWMXWDDYGSOAT-UFYCRDLUSA-N 1 0 459.660 3.925 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@H](N4CC[NH+](CC)CC4)C3)n2CC(F)(F)F)cc1 ZINC001314199628 1069787897 /nfs/dbraw/zinc/78/78/97/1069787897.db2.gz RSZXYKPXLWZGAJ-OALUTQOASA-N 1 0 496.578 3.595 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@H](N4CC[NH+](CC)CC4)C3)n2CC(F)(F)F)cc1 ZINC001314199629 1069788695 /nfs/dbraw/zinc/78/86/95/1069788695.db2.gz RSZXYKPXLWZGAJ-RBUKOAKNSA-N 1 0 496.578 3.595 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCn2cc(C)cn2)cc1 ZINC001314200409 1069789383 /nfs/dbraw/zinc/78/93/83/1069789383.db2.gz RRQPSEQZYWKPAI-NRFANRHFSA-N 1 0 467.618 3.552 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)CC)CC1 ZINC001307048723 1069794678 /nfs/dbraw/zinc/79/46/78/1069794678.db2.gz DXEJSCXIALOTIL-VWLOTQADSA-N 1 0 456.635 3.619 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)c2c(C)noc2C)CC1 ZINC001307048792 1069794706 /nfs/dbraw/zinc/79/47/06/1069794706.db2.gz YYJBVMCVOSLILF-GOSISDBHSA-N 1 0 451.619 3.983 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc([C@H](C)O)cc2)CC1 ZINC001307049021 1069796175 /nfs/dbraw/zinc/79/61/75/1069796175.db2.gz GVMGKZYEMGXBQC-KDYSTLNUSA-N 1 0 485.673 3.731 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(F)cc2C)CC1 ZINC001307049289 1069796801 /nfs/dbraw/zinc/79/68/01/1069796801.db2.gz IFFXGUQXISHNPK-SANMLTNESA-N 1 0 473.637 3.931 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CC[C@@H](OC)C(F)(F)F)CC1 ZINC001307049418 1069797568 /nfs/dbraw/zinc/79/75/68/1069797568.db2.gz KBXJDRMESMAAER-OAQYLSRUSA-N 1 0 497.562 3.994 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2ccc(Br)o2)C1 ZINC001307049556 1069798087 /nfs/dbraw/zinc/79/80/87/1069798087.db2.gz OSQXUAZNFRWBDI-UWVAXJGDSA-N 1 0 496.450 3.726 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001307051592 1069804529 /nfs/dbraw/zinc/80/45/29/1069804529.db2.gz JZURZUVMVJXLEJ-UHFFFAOYSA-N 1 0 475.519 3.835 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001307050899 1069801684 /nfs/dbraw/zinc/80/16/84/1069801684.db2.gz HFAYZTATTFZVSW-UHFFFAOYSA-N 1 0 484.689 3.587 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nc(C)c(C)s2)CC1 ZINC001307050740 1069801768 /nfs/dbraw/zinc/80/17/68/1069801768.db2.gz ULQZZUHNMAACBW-XMMPIXPASA-N 1 0 476.691 3.751 20 0 JHADRO CCOc1ccc2c(c1)CN(c1nnc(C(C)(C)C)n1CC1(O)CC[NH+](C(C)C)CC1)CC2 ZINC001314202802 1069804528 /nfs/dbraw/zinc/80/45/28/1069804528.db2.gz VBKSOSQAPUYLJA-UHFFFAOYSA-N 1 0 455.647 3.772 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(Cl)c2)CC1 ZINC001307051117 1069802805 /nfs/dbraw/zinc/80/28/05/1069802805.db2.gz XLJVAJJCFKVWDO-XMMPIXPASA-N 1 0 462.038 3.943 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCCOCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001314202641 1069802907 /nfs/dbraw/zinc/80/29/07/1069802907.db2.gz XZXZLHNZTCBXJU-NHCUHLMSSA-N 1 0 457.619 3.775 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](CC)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001314202563 1069803250 /nfs/dbraw/zinc/80/32/50/1069803250.db2.gz MRQUISGUMCCTBO-LEWJYISDSA-N 1 0 487.645 3.543 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2CC2=CCCOC2)cc1 ZINC001314202935 1069805063 /nfs/dbraw/zinc/80/50/63/1069805063.db2.gz ZZCXTTBYHOZWKY-WOJBJXKFSA-N 1 0 455.603 3.694 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](c4nccs4)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001314203526 1069807844 /nfs/dbraw/zinc/80/78/44/1069807844.db2.gz QILQNUWJEUDAFG-WAOWUJCRSA-N 1 0 486.642 3.801 20 0 JHADRO CCCN(CC[NH+](CC)CC)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC001312249693 1069808306 /nfs/dbraw/zinc/80/83/06/1069808306.db2.gz PPEZTQRTKPBTEK-UHFFFAOYSA-N 1 0 455.441 3.549 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CCc3ccccc3)n2Cc2cccn(CC)c2=O)CC1 ZINC001307053463 1069811727 /nfs/dbraw/zinc/81/17/27/1069811727.db2.gz OZVFGVQEWUFCGV-UHFFFAOYSA-N 1 0 462.642 3.604 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cnn(C)c1C ZINC001307053254 1069811914 /nfs/dbraw/zinc/81/19/14/1069811914.db2.gz CEOMZSRLVMFXEU-JOCHJYFZSA-N 1 0 481.645 3.905 20 0 JHADRO CCOc1cccc(CCn2c(-c3cnccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001314204657 1069812946 /nfs/dbraw/zinc/81/29/46/1069812946.db2.gz FPUVXTHSAJGSCU-UHFFFAOYSA-N 1 0 463.630 3.935 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CC3CCCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001307053898 1069813992 /nfs/dbraw/zinc/81/39/92/1069813992.db2.gz UUARJMMELNOTAR-NRFANRHFSA-N 1 0 486.627 3.585 20 0 JHADRO CCOc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[N@H+](CCOC)[C@@H](CC)C2)c1 ZINC001314205337 1069814515 /nfs/dbraw/zinc/81/45/15/1069814515.db2.gz DYBFBXGAFOYHCJ-JTHBVZDNSA-N 1 0 457.619 3.514 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307054257 1069815035 /nfs/dbraw/zinc/81/50/35/1069815035.db2.gz WCOPWACLBDQOEQ-ACDBMABISA-N 1 0 488.702 3.784 20 0 JHADRO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C[N@@H+]1Cc1ccccc1 ZINC001312256537 1069815280 /nfs/dbraw/zinc/81/52/80/1069815280.db2.gz VPHBCNIODQHKIA-XUFNMVPLSA-N 1 0 458.400 3.929 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CC3CCCC3)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001307054296 1069816482 /nfs/dbraw/zinc/81/64/82/1069816482.db2.gz XMRNFGHMOQMJBI-UHFFFAOYSA-N 1 0 452.647 3.729 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(CC(=O)NC)CC1 ZINC001307054779 1069816911 /nfs/dbraw/zinc/81/69/11/1069816911.db2.gz LSEBKJPNKZWHCS-JOCHJYFZSA-N 1 0 468.646 3.571 20 0 JHADRO CCOc1cccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC001314206429 1069817873 /nfs/dbraw/zinc/81/78/73/1069817873.db2.gz JSOMHWRNWQXSJG-QDNNMPSSSA-N 1 0 471.646 3.562 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)CC1 ZINC001307055253 1069821575 /nfs/dbraw/zinc/82/15/75/1069821575.db2.gz OPHSGGNZDKRDMN-KRWDZBQOSA-N 1 0 465.429 3.843 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001307055485 1069821985 /nfs/dbraw/zinc/82/19/85/1069821985.db2.gz OZKFCMFAWAYTGT-RBUKOAKNSA-N 1 0 489.462 3.592 20 0 JHADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001312264609 1069822063 /nfs/dbraw/zinc/82/20/63/1069822063.db2.gz GQUOTYBOPXQHLH-NRFANRHFSA-N 1 0 451.453 3.929 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CC(N)=O ZINC001307055115 1069820164 /nfs/dbraw/zinc/82/01/64/1069820164.db2.gz OSGNEGYFFGRVPP-APWZRJJASA-N 1 0 477.451 3.672 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(CC(C)C)n3CCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC001314208214 1069823598 /nfs/dbraw/zinc/82/35/98/1069823598.db2.gz JTQOTZIFZXBLNO-ZRZAMGCNSA-N 1 0 483.705 3.965 20 0 JHADRO COCCN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC001312267540 1069825246 /nfs/dbraw/zinc/82/52/46/1069825246.db2.gz ZWOVCYWWWNVPKA-UHFFFAOYSA-N 1 0 456.562 3.578 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CCCC(=O)NC ZINC001307056373 1069826348 /nfs/dbraw/zinc/82/63/48/1069826348.db2.gz SISFUPYWWKIECI-SFHVURJKSA-N 1 0 491.478 3.935 20 0 JHADRO CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccco1 ZINC001312269315 1069826404 /nfs/dbraw/zinc/82/64/04/1069826404.db2.gz CSUIGVPNAXGPIX-BSDSXHPESA-N 1 0 452.596 3.769 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001307056441 1069827564 /nfs/dbraw/zinc/82/75/64/1069827564.db2.gz SWIOSIIBDSYTTP-KDYSTLNUSA-N 1 0 498.672 3.579 20 0 JHADRO COc1cc(CCNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(OC)c1OCc1ccccc1 ZINC001312272683 1069827768 /nfs/dbraw/zinc/82/77/68/1069827768.db2.gz IGHGINWXOGZQKP-GHTZIAJQSA-N 1 0 453.583 3.750 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001314210909 1069833364 /nfs/dbraw/zinc/83/33/64/1069833364.db2.gz DOTMVMZGTCOWRB-UHFFFAOYSA-N 1 0 499.063 3.844 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001307056992 1069830893 /nfs/dbraw/zinc/83/08/93/1069830893.db2.gz UKLNBEFLEQESCD-GOTSBHOMSA-N 1 0 498.672 3.940 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001307057225 1069833066 /nfs/dbraw/zinc/83/30/66/1069833066.db2.gz XATABSOACJEKDP-QFIPXVFZSA-N 1 0 490.693 3.583 20 0 JHADRO O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001312281921 1069835323 /nfs/dbraw/zinc/83/53/23/1069835323.db2.gz YODQMCQYRHWHHD-HKBOAZHASA-N 1 0 450.421 3.967 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001307058276 1069838082 /nfs/dbraw/zinc/83/80/82/1069838082.db2.gz ZFIVAFAKEJWFPC-IRFCIJBXSA-N 1 0 457.619 3.840 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)OC ZINC001307058000 1069836650 /nfs/dbraw/zinc/83/66/50/1069836650.db2.gz KXWVGYAUHXDRGM-OALUTQOASA-N 1 0 450.628 3.655 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001307057880 1069837285 /nfs/dbraw/zinc/83/72/85/1069837285.db2.gz GKLKBWLKMJSISQ-XLIONFOSSA-N 1 0 499.651 3.971 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001307058694 1069840730 /nfs/dbraw/zinc/84/07/30/1069840730.db2.gz PUZSZLHUQGOWSM-QHCPKHFHSA-N 1 0 458.695 3.970 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(C)n3C[C@H](c3ccccc3)[NH+](CC)CC)CC2)n1 ZINC001314213077 1069840563 /nfs/dbraw/zinc/84/05/63/1069840563.db2.gz QQMGIDJVZWHHIN-HSZRJFAPSA-N 1 0 463.630 3.790 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)ccc1F ZINC001307058489 1069838975 /nfs/dbraw/zinc/83/89/75/1069838975.db2.gz NTQWRYUNUOFMEX-TZIWHRDSSA-N 1 0 477.650 3.529 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1 ZINC001307059257 1069844550 /nfs/dbraw/zinc/84/45/50/1069844550.db2.gz VECOYWRWGUIQQJ-SFTDATJTSA-N 1 0 474.650 3.617 20 0 JHADRO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)[NH+](C)C)cc1 ZINC001312308869 1069853275 /nfs/dbraw/zinc/85/32/75/1069853275.db2.gz DOMSBRXMBKYJPD-GMAHTHKFSA-N 1 0 456.562 3.710 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001307061386 1069853458 /nfs/dbraw/zinc/85/34/58/1069853458.db2.gz GITWHXWCBSMQCS-RTWAWAEBSA-N 1 0 485.677 3.994 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCC[C@H]2C)CC1=O ZINC001307061912 1069856006 /nfs/dbraw/zinc/85/60/06/1069856006.db2.gz RPDZAIGJSCASIH-FYYLOGMGSA-N 1 0 482.673 3.968 20 0 JHADRO COC[C@]1(CNC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC001312314531 1069857690 /nfs/dbraw/zinc/85/76/90/1069857690.db2.gz OSCDBGKRFCQNIS-MYIHVTGJSA-N 1 0 451.611 3.701 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001307062638 1069859442 /nfs/dbraw/zinc/85/94/42/1069859442.db2.gz LICNJNLKDXZKGO-JOCHJYFZSA-N 1 0 451.619 3.897 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001307063716 1069863569 /nfs/dbraw/zinc/86/35/69/1069863569.db2.gz CYDONAYJUAIUDK-LJQANCHMSA-N 1 0 488.080 3.953 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1=O ZINC001307063802 1069863613 /nfs/dbraw/zinc/86/36/13/1069863613.db2.gz DXTJUWZHGJERCA-NRFANRHFSA-N 1 0 468.646 3.523 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001307065532 1069870973 /nfs/dbraw/zinc/87/09/73/1069870973.db2.gz FVDVNELIAQJLIP-OYKDXHIPSA-N 1 0 459.660 3.768 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC(C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001314221257 1069870947 /nfs/dbraw/zinc/87/09/47/1069870947.db2.gz VVLSVVOISODMEN-UHFFFAOYSA-N 1 0 471.646 3.727 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1=O ZINC001307065843 1069872542 /nfs/dbraw/zinc/87/25/42/1069872542.db2.gz RMTCQJKYBIMUFN-IDISGSTGSA-N 1 0 484.664 3.967 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(F)F)CC1 ZINC001307065951 1069872907 /nfs/dbraw/zinc/87/29/07/1069872907.db2.gz GQXBCUBLOKSMHU-IBGZPJMESA-N 1 0 480.579 3.648 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCN(Cc3nc(C)c(C)o3)CC2)nnc1C(C)(C)C ZINC001307065947 1069872959 /nfs/dbraw/zinc/87/29/59/1069872959.db2.gz GQHYJBLLTPDZCU-NRFANRHFSA-N 1 0 457.667 3.767 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1=O ZINC001307066403 1069874465 /nfs/dbraw/zinc/87/44/65/1069874465.db2.gz NONYPTNLNDMQJR-QFIPXVFZSA-N 1 0 482.673 3.770 20 0 JHADRO CC(C)(C)OCCCN1CCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001312358577 1069885232 /nfs/dbraw/zinc/88/52/32/1069885232.db2.gz YBDNAUPDCRMGDF-CCDWMCETSA-N 1 0 456.675 3.820 20 0 JHADRO CC(C)(C)OCCCN1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001312358581 1069885586 /nfs/dbraw/zinc/88/55/86/1069885586.db2.gz YBDNAUPDCRMGDF-UBFVSLLYSA-N 1 0 456.675 3.820 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001307069870 1069883012 /nfs/dbraw/zinc/88/30/12/1069883012.db2.gz VIJLLFIELRIJCF-PMACEKPBSA-N 1 0 464.655 3.525 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC001307072884 1069886739 /nfs/dbraw/zinc/88/67/39/1069886739.db2.gz NNKHSWBTAKYWML-QAPCUYQASA-N 1 0 456.509 3.833 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCSC[C@@H]2C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001314225287 1069889989 /nfs/dbraw/zinc/88/99/89/1069889989.db2.gz GGPQAZODCHLCFA-UXHICEINSA-N 1 0 459.660 3.929 20 0 JHADRO CC(C)N1C(=O)C[C@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312366318 1069890961 /nfs/dbraw/zinc/89/09/61/1069890961.db2.gz MQAJQGPRMXYZLI-RBBKRZOGSA-N 1 0 450.986 3.846 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCc1csc(C)n1 ZINC001314225624 1069891257 /nfs/dbraw/zinc/89/12/57/1069891257.db2.gz NJQRLDHQLBECDP-GOSISDBHSA-N 1 0 470.643 3.794 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1nc(C)cs1 ZINC001314227246 1069901201 /nfs/dbraw/zinc/90/12/01/1069901201.db2.gz KXOOELKXLWYNNY-UHFFFAOYSA-N 1 0 470.643 3.990 20 0 JHADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C[C@H]1C ZINC001312391635 1069904853 /nfs/dbraw/zinc/90/48/53/1069904853.db2.gz HTYIYOQGFWGKOD-LSTHTHJFSA-N 1 0 454.537 3.711 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCOCC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314228235 1069906321 /nfs/dbraw/zinc/90/63/21/1069906321.db2.gz GTBZHXZUECGJJO-NHCUHLMSSA-N 1 0 471.646 3.849 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@H]1CCC[N@@H+]1CC ZINC001314229560 1069912445 /nfs/dbraw/zinc/91/24/45/1069912445.db2.gz VNFRAMXCUUZULL-WOJBJXKFSA-N 1 0 457.619 3.744 20 0 JHADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)NC[C@@](C)(O)c3cccc(F)c3)cc2)C[C@H]1C ZINC001312405404 1069913081 /nfs/dbraw/zinc/91/30/81/1069913081.db2.gz QZRNDYTUGZNUQU-BVFVYWQFSA-N 1 0 457.590 3.542 20 0 JHADRO C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312414973 1069920681 /nfs/dbraw/zinc/92/06/81/1069920681.db2.gz NBBSGCMKIWFWLI-JEWRLFTDSA-N 1 0 454.974 3.827 20 0 JHADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001312425095 1069928207 /nfs/dbraw/zinc/92/82/07/1069928207.db2.gz GQAXLLIAHKZBBP-LSDHHAIUSA-N 1 0 450.299 3.725 20 0 JHADRO 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C[C@H](NC(=O)N1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001312479415 1069961042 /nfs/dbraw/zinc/96/10/42/1069961042.db2.gz KCXPBMQXJJIGLW-ILWGZMRPSA-N 1 0 458.622 3.907 20 0 JHADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2cnc3c(cccc3C(F)(F)F)c2=O)CC1 ZINC001307396102 1069968318 /nfs/dbraw/zinc/96/83/18/1069968318.db2.gz XNDNUBPFAHTZIY-UHFFFAOYSA-N 1 0 458.484 3.505 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)[NH+](C)C)C12CCC2 ZINC001314248652 1069971589 /nfs/dbraw/zinc/97/15/89/1069971589.db2.gz YULMTNWHARWJKS-MTNREXPMSA-N 1 0 457.619 3.696 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC[N@H+](CC)C2)C1(C)C ZINC001314248757 1069972095 /nfs/dbraw/zinc/97/20/95/1069972095.db2.gz HZZPKJIZSOJMCR-BVYCBKJFSA-N 1 0 459.610 3.978 20 0 JHADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(OCc4nccn4C)cc3)CC2)cc1F ZINC001307413652 1069972459 /nfs/dbraw/zinc/97/24/59/1069972459.db2.gz FDXXQTBBLQCEHH-UHFFFAOYSA-N 1 0 450.558 3.975 20 0 JHADRO 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CCOCc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1Cc1csc(CC)n1 ZINC001314303384 1070088421 /nfs/dbraw/zinc/08/84/21/1070088421.db2.gz RLZNWSFNRSZNEB-NRFANRHFSA-N 1 0 454.644 3.983 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)N3CCC[C@H]3COc3ccccc3)CC2)cc1 ZINC001312716420 1070092091 /nfs/dbraw/zinc/09/20/91/1070092091.db2.gz PZIFAAAFERHOAO-DEOSSOPVSA-N 1 0 450.583 3.862 20 0 JHADRO COc1ccc(CC(C)(C)NC(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC001312715156 1070092321 /nfs/dbraw/zinc/09/23/21/1070092321.db2.gz GUPSXOGPLNBSJN-UHFFFAOYSA-N 1 0 452.599 3.939 20 0 JHADRO CC[C@H]([NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC001307632747 1070092370 /nfs/dbraw/zinc/09/23/70/1070092370.db2.gz KYTYMRPAMFIIKN-REWPJTCUSA-N 1 0 457.621 3.732 20 0 JHADRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC001307641231 1070096822 /nfs/dbraw/zinc/09/68/22/1070096822.db2.gz VVMLVAHOIKQRSL-SANMLTNESA-N 1 0 457.574 3.828 20 0 JHADRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc(N2CCCC2=O)c1 ZINC001307642227 1070097972 /nfs/dbraw/zinc/09/79/72/1070097972.db2.gz LORUCMPDOJMAKK-HNNXBMFYSA-N 1 0 454.596 3.532 20 0 JHADRO CCOCc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001314320954 1070106409 /nfs/dbraw/zinc/10/64/09/1070106409.db2.gz ZBFXKXPKLVRAIK-JTAQYXEDSA-N 1 0 498.672 3.611 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC001307656315 1070106468 /nfs/dbraw/zinc/10/64/68/1070106468.db2.gz DEXAZSLZQJYXOJ-PFWHTEFJSA-N 1 0 452.990 3.605 20 0 JHADRO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001307659285 1070107145 /nfs/dbraw/zinc/10/71/45/1070107145.db2.gz HPKSYTHXKMRTOG-HXUWFJFHSA-N 1 0 453.549 3.896 20 0 JHADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC001307658845 1070107470 /nfs/dbraw/zinc/10/74/70/1070107470.db2.gz PNXLSQCMHCBWBG-LBPRGKRZSA-N 1 0 455.494 3.662 20 0 JHADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC001307660007 1070108195 /nfs/dbraw/zinc/10/81/95/1070108195.db2.gz XHSXFNJFCBPQDJ-KUHUBIRLSA-N 1 0 454.527 3.786 20 0 JHADRO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC001307670930 1070114486 /nfs/dbraw/zinc/11/44/86/1070114486.db2.gz VTWJTILTBOGIIK-AEFFLSMTSA-N 1 0 456.591 3.652 20 0 JHADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001307669028 1070113644 /nfs/dbraw/zinc/11/36/44/1070113644.db2.gz FGNYYBICFUMCJV-QYZOEREBSA-N 1 0 458.603 3.766 20 0 JHADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC001307668715 1070113701 /nfs/dbraw/zinc/11/37/01/1070113701.db2.gz SVBAANSOCWDLRA-WOJBJXKFSA-N 1 0 450.670 3.931 20 0 JHADRO Cc1ccc(C2(CNC(=O)N3CCN(c4ccccc4OCC[NH+](C)C)CC3)CC2)c(C)c1 ZINC001312772701 1070113732 /nfs/dbraw/zinc/11/37/32/1070113732.db2.gz GKVAFRXEGDHXJJ-UHFFFAOYSA-N 1 0 450.627 3.807 20 0 JHADRO O=C(CCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC001312776704 1070115921 /nfs/dbraw/zinc/11/59/21/1070115921.db2.gz GJOQZAZRIYCRCF-UHFFFAOYSA-N 1 0 457.402 3.608 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC001312781461 1070118474 /nfs/dbraw/zinc/11/84/74/1070118474.db2.gz VIMIUHSSAMNVPY-QUURXOELSA-N 1 0 479.625 3.504 20 0 JHADRO C[NH+](C)[C@@H]1CCCN(Cc2nc3c(Br)cc(Br)cc3c(=O)[nH]2)CC1 ZINC001307681174 1070122169 /nfs/dbraw/zinc/12/21/69/1070122169.db2.gz NJDZDFTXVMISKP-GFCCVEGCSA-N 1 0 458.198 3.777 20 0 JHADRO CCOCc1nnc(N2CCC(C)=C(Br)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314332007 1070125359 /nfs/dbraw/zinc/12/53/59/1070125359.db2.gz PAXIQJFDJBRUFW-UHFFFAOYSA-N 1 0 458.470 3.521 20 0 JHADRO CSC1(CNC(=O)N(CCCNC(=O)OC(C)(C)C)CC2CCCC2)CC[NH+](C)CC1 ZINC001312799983 1070129997 /nfs/dbraw/zinc/12/99/97/1070129997.db2.gz PEIOZKCUFJKBRP-UHFFFAOYSA-N 1 0 456.697 3.930 20 0 JHADRO CCOCc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001314332830 1070126991 /nfs/dbraw/zinc/12/69/91/1070126991.db2.gz CHKOXNUSZMZJHC-HXOBKFHXSA-N 1 0 462.038 3.901 20 0 JHADRO CCOCc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314336810 1070131689 /nfs/dbraw/zinc/13/16/89/1070131689.db2.gz ZCPMVLFUBQUTFH-VGOFRKELSA-N 1 0 475.600 3.855 20 0 JHADRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001307694387 1070131730 /nfs/dbraw/zinc/13/17/30/1070131730.db2.gz QFHICHVRYRTOJL-IRXDYDNUSA-N 1 0 458.584 3.786 20 0 JHADRO CCOCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314338759 1070134821 /nfs/dbraw/zinc/13/48/21/1070134821.db2.gz IUUCJTUVOADNID-SFTDATJTSA-N 1 0 474.694 3.600 20 0 JHADRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(C)(C)C)C2)cc1S(=O)(=O)N(CC)CC ZINC001307716770 1070142441 /nfs/dbraw/zinc/14/24/41/1070142441.db2.gz DKMNEDCZMNKCDM-SFHVURJKSA-N 1 0 453.649 3.812 20 0 JHADRO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)n[nH]1 ZINC001307720687 1070146025 /nfs/dbraw/zinc/14/60/25/1070146025.db2.gz HOJNYVFIIMMZSN-IBGZPJMESA-N 1 0 456.591 3.652 20 0 JHADRO CCOCc1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314342244 1070143394 /nfs/dbraw/zinc/14/33/94/1070143394.db2.gz AJALZUARBRIOPM-NRFANRHFSA-N 1 0 471.675 3.909 20 0 JHADRO CCOCc1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314342245 1070143500 /nfs/dbraw/zinc/14/35/00/1070143500.db2.gz AJALZUARBRIOPM-OAQYLSRUSA-N 1 0 471.675 3.909 20 0 JHADRO CC(C)(COCc1ccccc1)[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001307718588 1070144381 /nfs/dbraw/zinc/14/43/81/1070144381.db2.gz BCAFMZXSFXBIQT-OAQYLSRUSA-N 1 0 450.501 3.752 20 0 JHADRO COc1ccc(OC)c2c1CN(C(=O)NC[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)C[C@@H]2O ZINC001312825342 1070144732 /nfs/dbraw/zinc/14/47/32/1070144732.db2.gz VXAMUBHJUPGGFT-UNMCSNQZSA-N 1 0 453.583 3.565 20 0 JHADRO CCOCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001314342700 1070145028 /nfs/dbraw/zinc/14/50/28/1070145028.db2.gz XNIZUFTVBGGPGK-QPPBQGQZSA-N 1 0 474.694 3.554 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314344371 1070148936 /nfs/dbraw/zinc/14/89/36/1070148936.db2.gz WKPIIKGJNYVOSL-WOJBJXKFSA-N 1 0 478.682 3.771 20 0 JHADRO CCOCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001314347230 1070155253 /nfs/dbraw/zinc/15/52/53/1070155253.db2.gz UYMVBVMFIDMLJD-HXUWFJFHSA-N 1 0 476.666 3.571 20 0 JHADRO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001307732252 1070156172 /nfs/dbraw/zinc/15/61/72/1070156172.db2.gz BRKFCFBHVIZTON-XJUOHMSHSA-N 1 0 457.615 3.938 20 0 JHADRO C[C@](O)(C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1)c1ccc(Br)cc1Cl ZINC001307733843 1070156989 /nfs/dbraw/zinc/15/69/89/1070156989.db2.gz XZHSEEHJYYUOSJ-INIZCTEOSA-N 1 0 457.718 3.701 20 0 JHADRO CCCN(Cc1ccc(F)cc1F)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001312866938 1070159882 /nfs/dbraw/zinc/15/98/82/1070159882.db2.gz XOYKPZHCNBHMJK-UHFFFAOYSA-N 1 0 458.553 3.784 20 0 JHADRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC001307745640 1070162876 /nfs/dbraw/zinc/16/28/76/1070162876.db2.gz KHXOHJGBKFPAHU-RUZDIDTESA-N 1 0 451.611 3.818 20 0 JHADRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC001307745641 1070162900 /nfs/dbraw/zinc/16/29/00/1070162900.db2.gz KHXOHJGBKFPAHU-VWLOTQADSA-N 1 0 451.611 3.818 20 0 JHADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCCN(c3ccccc3Cl)CC2)CC1 ZINC001307746646 1070163002 /nfs/dbraw/zinc/16/30/02/1070163002.db2.gz HIZCJNVBIOUHGI-UHFFFAOYSA-N 1 0 455.046 3.941 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC(C(=O)c2cccs2)CC1 ZINC001312885709 1070167235 /nfs/dbraw/zinc/16/72/35/1070167235.db2.gz MPWIELVFVARMHX-FGZHOGPDSA-N 1 0 455.624 3.890 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC001312887153 1070168193 /nfs/dbraw/zinc/16/81/93/1070168193.db2.gz YMKXZJPRCITSMP-ILBGXUMGSA-N 1 0 471.045 3.704 20 0 JHADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC001307768645 1070176233 /nfs/dbraw/zinc/17/62/33/1070176233.db2.gz SYOIMMXMNYHERG-YNEHKIRRSA-N 1 0 452.304 3.513 20 0 JHADRO CCOCc1nnc(N2CC[C@@]3(C2)OCc2ccccc23)n1CC[N@H+](CC)CCC(F)(F)F ZINC001314354120 1070174735 /nfs/dbraw/zinc/17/47/35/1070174735.db2.gz YJGHZCPCQOCWDN-QFIPXVFZSA-N 1 0 467.536 3.725 20 0 JHADRO CCOCc1nnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001314358846 1070181385 /nfs/dbraw/zinc/18/13/85/1070181385.db2.gz OPZAGSJINCCHDJ-FPOVZHCZSA-N 1 0 476.666 3.525 20 0 JHADRO CCOCc1nnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001314359226 1070182022 /nfs/dbraw/zinc/18/20/22/1070182022.db2.gz VIDPLVPABIDLMO-CEMLEFRQSA-N 1 0 490.693 3.817 20 0 JHADRO CCOCc1nnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001314359228 1070182155 /nfs/dbraw/zinc/18/21/55/1070182155.db2.gz VIDPLVPABIDLMO-ILWGZMRPSA-N 1 0 490.693 3.817 20 0 JHADRO C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312925864 1070184316 /nfs/dbraw/zinc/18/43/16/1070184316.db2.gz KERLXWKCTTXOEL-ZRGHIBABSA-N 1 0 473.658 3.561 20 0 JHADRO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001307798787 1070186235 /nfs/dbraw/zinc/18/62/35/1070186235.db2.gz ILXVFPHNUAZESR-KRWDZBQOSA-N 1 0 451.558 3.735 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001314362787 1070187429 /nfs/dbraw/zinc/18/74/29/1070187429.db2.gz BEHXKPVIAKRALH-XMMPIXPASA-N 1 0 482.673 3.590 20 0 JHADRO CCCC[N@H+](CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@@H]1CCC[C@H](C)C1 ZINC001307801846 1070188507 /nfs/dbraw/zinc/18/85/07/1070188507.db2.gz BIWKSKLWAHPJAE-RZYZOOPGSA-N 1 0 458.628 3.915 20 0 JHADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)n(-c2ccc(F)cc2)n1 ZINC001307801894 1070188575 /nfs/dbraw/zinc/18/85/75/1070188575.db2.gz BXFZHBQBINBLEK-KRWDZBQOSA-N 1 0 450.518 3.529 20 0 JHADRO O=C1[C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)CCCN1c1ccc(OC(F)F)cc1 ZINC001307806713 1070192214 /nfs/dbraw/zinc/19/22/14/1070192214.db2.gz DYGWAAJSEJLLAL-MSOLQXFVSA-N 1 0 455.299 3.869 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001314366156 1070198091 /nfs/dbraw/zinc/19/80/91/1070198091.db2.gz OYCRDBHMXJVZDW-FGZHOGPDSA-N 1 0 467.618 3.755 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CC[C@@H](OC)C(F)(F)F ZINC001314365362 1070195036 /nfs/dbraw/zinc/19/50/36/1070195036.db2.gz MFYKLSYQIWUYHF-GUDVDZBRSA-N 1 0 461.573 3.873 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314366042 1070197172 /nfs/dbraw/zinc/19/71/72/1070197172.db2.gz FCXFARPYAVYVCZ-FQEVSTJZSA-N 1 0 464.655 3.525 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)C[C@@H]1c1ccccc1 ZINC001307820301 1070200169 /nfs/dbraw/zinc/20/01/69/1070200169.db2.gz QQLAVTCQOUWGGH-TWJOJJKGSA-N 1 0 478.614 3.903 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](c3nc(C)c(C)s3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314368016 1070202586 /nfs/dbraw/zinc/20/25/86/1070202586.db2.gz RYCYWHNEACOAGY-PGRDOPGGSA-N 1 0 464.705 3.709 20 0 JHADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001312971703 1070204430 /nfs/dbraw/zinc/20/44/30/1070204430.db2.gz AZSROJNIQTWHOI-UGKGYDQZSA-N 1 0 459.635 3.628 20 0 JHADRO COc1ccc([C@H](O)C[N@H+](CCN2C(=O)c3ccccc3C2=O)[C@H](C)Cc2ccccc2)cc1 ZINC001307843284 1070208640 /nfs/dbraw/zinc/20/86/40/1070208640.db2.gz LRWOTIVHBDKVDS-FQRUVTKNSA-N 1 0 458.558 3.958 20 0 JHADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001312987998 1070209132 /nfs/dbraw/zinc/20/91/32/1070209132.db2.gz JOFYQOMPDOPLLB-BVSLBCMMSA-N 1 0 460.619 3.572 20 0 JHADRO CCOc1cc(C[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)nc2nc(C(F)(F)F)nn21 ZINC001307852111 1070211448 /nfs/dbraw/zinc/21/14/48/1070211448.db2.gz UTKRBHJGLAOAQZ-CQSZACIVSA-N 1 0 457.497 3.876 20 0 JHADRO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@H](CC)[C@H]1CC1(C)C ZINC001307854327 1070211997 /nfs/dbraw/zinc/21/19/97/1070211997.db2.gz YTPFVJDEGSAYSZ-RTBURBONSA-N 1 0 451.633 3.613 20 0 JHADRO CS(=O)(=O)N(CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br)Cc1ccccc1 ZINC001307854191 1070212084 /nfs/dbraw/zinc/21/20/84/1070212084.db2.gz PUESZFXROLDDMI-HXUWFJFHSA-N 1 0 451.430 3.918 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C[C@H]1c1ccc(Br)cc1 ZINC001307860354 1070213868 /nfs/dbraw/zinc/21/38/68/1070213868.db2.gz KPWDWFQWDSIJFM-HSALFYBXSA-N 1 0 452.776 3.895 20 0 JHADRO CCOCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001314375098 1070214364 /nfs/dbraw/zinc/21/43/64/1070214364.db2.gz PHTFTQWABDDEAW-UHFFFAOYSA-N 1 0 450.587 3.971 20 0 JHADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC001313007520 1070218543 /nfs/dbraw/zinc/21/85/43/1070218543.db2.gz GXMHHSWQOFTXRL-QGZVFWFLSA-N 1 0 452.397 3.571 20 0 JHADRO CC(C)[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001307870438 1070218001 /nfs/dbraw/zinc/21/80/01/1070218001.db2.gz OWMKYKOODVMGKS-AREMUKBSSA-N 1 0 452.618 3.849 20 0 JHADRO CCOCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC001314377829 1070219666 /nfs/dbraw/zinc/21/96/66/1070219666.db2.gz HJQVVLFZSVTOSH-NRFANRHFSA-N 1 0 482.673 3.846 20 0 JHADRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCCON2C(=O)c3ccccc3C2=O)C[C@H]1c1ccccc1 ZINC001307878241 1070220723 /nfs/dbraw/zinc/22/07/23/1070220723.db2.gz UIUOTZYWTQWYFP-FCHUYYIVSA-N 1 0 450.535 3.662 20 0 JHADRO COC(=O)[C@@]1(NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCC[N@H+](Cc2ccccc2)C1 ZINC001307888541 1070226964 /nfs/dbraw/zinc/22/69/64/1070226964.db2.gz XXRAKQMRCHMCQY-BKMJKUGQSA-N 1 0 459.631 3.821 20 0 JHADRO CNC(=O)c1cc(O[C@@H]2CCC[N@H+](Cc3cc(Br)cc4cccnc43)C2)ccn1 ZINC001307889416 1070227463 /nfs/dbraw/zinc/22/74/63/1070227463.db2.gz CEJWXXYOHYZIFY-LJQANCHMSA-N 1 0 455.356 3.795 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314383648 1070227412 /nfs/dbraw/zinc/22/74/12/1070227412.db2.gz BRRFIMHJSOLXQO-JOCHJYFZSA-N 1 0 474.694 3.554 20 0 JHADRO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC001307884803 1070224835 /nfs/dbraw/zinc/22/48/35/1070224835.db2.gz DGLYZQRXXXNLPV-CDJZJNNCSA-N 1 0 451.652 3.950 20 0 JHADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001313023862 1070224895 /nfs/dbraw/zinc/22/48/95/1070224895.db2.gz RXWMQDVMZIXCKE-FQEVSTJZSA-N 1 0 453.414 3.868 20 0 JHADRO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC001307884805 1070224987 /nfs/dbraw/zinc/22/49/87/1070224987.db2.gz DGLYZQRXXXNLPV-QMCAAQAGSA-N 1 0 451.652 3.950 20 0 JHADRO Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cn1 ZINC001313033868 1070228539 /nfs/dbraw/zinc/22/85/39/1070228539.db2.gz QBRXXGPPVQGPDE-CTNGQTDRSA-N 1 0 451.537 3.924 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001314387588 1070235964 /nfs/dbraw/zinc/23/59/64/1070235964.db2.gz XAWXCBMOCMKNBA-OAQYLSRUSA-N 1 0 456.635 3.501 20 0 JHADRO CCOCc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001314387862 1070237252 /nfs/dbraw/zinc/23/72/52/1070237252.db2.gz FJDFNSUFGHIDDJ-FPOVZHCZSA-N 1 0 480.579 3.725 20 0 JHADRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC001307916671 1070239262 /nfs/dbraw/zinc/23/92/62/1070239262.db2.gz HKXLJAHRQZRUAN-YLJYHZDGSA-N 1 0 454.537 3.737 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3OC)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314389140 1070241252 /nfs/dbraw/zinc/24/12/52/1070241252.db2.gz COXBNCSNIQUOLK-OAQYLSRUSA-N 1 0 470.643 3.514 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001314390085 1070243424 /nfs/dbraw/zinc/24/34/24/1070243424.db2.gz IPFWIHJNHBLFND-JOCHJYFZSA-N 1 0 476.616 3.850 20 0 JHADRO O=C(C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)Nc1ccccc1C(F)(F)F ZINC001307928142 1070246197 /nfs/dbraw/zinc/24/61/97/1070246197.db2.gz GHPADACKCHOVRR-IBGZPJMESA-N 1 0 457.290 3.916 20 0 JHADRO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC001307930062 1070247113 /nfs/dbraw/zinc/24/71/13/1070247113.db2.gz RUCMXTWNZFQYDG-WDEREUQCSA-N 1 0 455.246 3.590 20 0 JHADRO OC[C@]1([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CCc2cc(Br)ccc2C1 ZINC001307929454 1070247294 /nfs/dbraw/zinc/24/72/94/1070247294.db2.gz WKEWKPULYQCYII-PMACEKPBSA-N 1 0 458.318 3.881 20 0 JHADRO CCOCc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001314391918 1070247414 /nfs/dbraw/zinc/24/74/14/1070247414.db2.gz VDXBUPJZEPBINS-UHFFFAOYSA-N 1 0 462.589 3.684 20 0 JHADRO Cc1ccc(C(=O)N2CCN(C(=O)NCCC3CC[NH+](Cc4ccccc4)CC3)CC2)s1 ZINC001313090855 1070247624 /nfs/dbraw/zinc/24/76/24/1070247624.db2.gz QQADQUDUBGLEIV-UHFFFAOYSA-N 1 0 454.640 3.826 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001314390460 1070244189 /nfs/dbraw/zinc/24/41/89/1070244189.db2.gz MKCGEEJHBSIXAR-UHFFFAOYSA-N 1 0 455.651 3.600 20 0 JHADRO CCOCc1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001314390868 1070244853 /nfs/dbraw/zinc/24/48/53/1070244853.db2.gz AWHVTDFZJLWPOT-LJQANCHMSA-N 1 0 475.707 3.727 20 0 JHADRO CCCCCC[C@@](O)(C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C(=O)OC ZINC001307926546 1070245671 /nfs/dbraw/zinc/24/56/71/1070245671.db2.gz VAYGZSJSFSZNHM-VNQPRFMTSA-N 1 0 455.231 3.689 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCOc1ccccc1C(C)C ZINC001314393558 1070251032 /nfs/dbraw/zinc/25/10/32/1070251032.db2.gz AJTJZXCGIVFCGL-OAQYLSRUSA-N 1 0 471.646 3.707 20 0 JHADRO CCOCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccccc1Cl ZINC001314394189 1070251611 /nfs/dbraw/zinc/25/16/11/1070251611.db2.gz QNTOVPIMMPBYIR-UHFFFAOYSA-N 1 0 461.054 3.511 20 0 JHADRO O=C(CC[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1)N1CCCc2ccccc21 ZINC001307942094 1070252186 /nfs/dbraw/zinc/25/21/86/1070252186.db2.gz RYYAQJYIGJCECF-FQEVSTJZSA-N 1 0 451.533 3.869 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1cnn(-c2ccccc2)c1 ZINC001314398362 1070258762 /nfs/dbraw/zinc/25/87/62/1070258762.db2.gz INEDCDXWPKOGRK-UHFFFAOYSA-N 1 0 451.619 3.607 20 0 JHADRO CCOCc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001314395772 1070254035 /nfs/dbraw/zinc/25/40/35/1070254035.db2.gz GPGBJZSKOUDSPY-UHFFFAOYSA-N 1 0 489.734 3.765 20 0 JHADRO CC(C)(C)OC(=O)[C@](C)(NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC001307964701 1070261431 /nfs/dbraw/zinc/26/14/31/1070261431.db2.gz KRDHYQZHLBVXOB-HHHXNRCGSA-N 1 0 451.611 3.745 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@@H]2CCCN2CC(F)F)cc1 ZINC001313133624 1070263660 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CCC[N@@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313452892 1070384122 /nfs/dbraw/zinc/38/41/22/1070384122.db2.gz QAKRKHGPTLDAPE-QHCPKHFHSA-N 1 0 496.700 3.641 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1cnn(C)c1C ZINC001313453211 1070384932 /nfs/dbraw/zinc/38/49/32/1070384932.db2.gz UISFSAUWQPAXSV-QFIPXVFZSA-N 1 0 451.619 3.718 20 0 JHADRO CN1C(=O)C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H]1c1ccc(F)c(F)c1 ZINC001308524073 1070385818 /nfs/dbraw/zinc/38/58/18/1070385818.db2.gz FWKFWEJLTLEZIY-QFBILLFUSA-N 1 0 453.283 3.560 20 0 JHADRO Cn1nccc1[C@H](O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC001308531857 1070386326 /nfs/dbraw/zinc/38/63/26/1070386326.db2.gz BMBWQYSJHNIIJM-OAQYLSRUSA-N 1 0 452.356 3.859 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001313453778 1070387028 /nfs/dbraw/zinc/38/70/28/1070387028.db2.gz WDMUEXHYWYJRSX-FQEVSTJZSA-N 1 0 498.569 3.945 20 0 JHADRO CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CCC(CN3C(=O)c4ccccc4C3=O)CC2)s1 ZINC001308590428 1070396615 /nfs/dbraw/zinc/39/66/15/1070396615.db2.gz BBIPKJZCMNFEAD-UHFFFAOYSA-N 1 0 456.568 3.998 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001313457366 1070399288 /nfs/dbraw/zinc/39/92/88/1070399288.db2.gz DBDANQIDFJAVHD-PKTZIBPZSA-N 1 0 452.647 3.809 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(F)(F)F)c2ccccc2c1=O ZINC001313457980 1070400912 /nfs/dbraw/zinc/40/09/12/1070400912.db2.gz BNNRPKBGSIHUEA-UHFFFAOYSA-N 1 0 477.535 3.548 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(C)CC2)C[C@@H]1CC ZINC001314492891 1070406177 /nfs/dbraw/zinc/40/61/77/1070406177.db2.gz BTKAGDALBFBAPR-QFIPXVFZSA-N 1 0 468.646 3.884 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001313460654 1070412096 /nfs/dbraw/zinc/41/20/96/1070412096.db2.gz SZXUKYUAAZGPGV-VQTJNVASSA-N 1 0 490.599 3.773 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2nccc(C(F)(F)F)n2)C[C@@H]1CC ZINC001314493100 1070406894 /nfs/dbraw/zinc/40/68/94/1070406894.db2.gz FHLVJJRHKQRMKV-KRWDZBQOSA-N 1 0 483.583 3.564 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(C(F)(F)F)c2)C[C@@H]1CC ZINC001314493284 1070406939 /nfs/dbraw/zinc/40/69/39/1070406939.db2.gz GGMPWNMAUJNQPY-SFHVURJKSA-N 1 0 468.568 3.975 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1CC ZINC001314494968 1070411889 /nfs/dbraw/zinc/41/18/89/1070411889.db2.gz VAGXSNGPRXJXKX-LJQANCHMSA-N 1 0 478.037 3.812 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCn3cc(C)nc32)C[C@H]1CC ZINC001314494946 1070411945 /nfs/dbraw/zinc/41/19/45/1070411945.db2.gz UQCYXEYUVADOMY-LEWJYISDSA-N 1 0 457.667 3.595 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(NC(C)=O)c2)C[C@@H]1CC ZINC001314495538 1070413420 /nfs/dbraw/zinc/41/34/20/1070413420.db2.gz HTUSMGOIFLYQNA-DEOSSOPVSA-N 1 0 491.640 3.592 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(Cl)s2)C[C@H]1CC ZINC001314495641 1070414464 /nfs/dbraw/zinc/41/44/64/1070414464.db2.gz JMPAHKVAQGUAGX-QGZVFWFLSA-N 1 0 476.050 3.630 20 0 JHADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](CCO)c2ccccc2Br)c(OC)c1 ZINC001308682878 1070417584 /nfs/dbraw/zinc/41/75/84/1070417584.db2.gz HCERYZOLWSPYCB-KDOFPFPSSA-N 1 0 451.361 3.897 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001313461299 1070415746 /nfs/dbraw/zinc/41/57/46/1070415746.db2.gz RBHCBAVOHHGTRR-MOPGFXCFSA-N 1 0 470.643 3.954 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)C2CCCCC2)C[C@@H]1CC ZINC001314495843 1070416250 /nfs/dbraw/zinc/41/62/50/1070416250.db2.gz KNQZKBCTUDLONV-NVQXNPDNSA-N 1 0 472.678 3.552 20 0 JHADRO COc1ccc(-c2noc(CN3CC[NH+](C[C@@H](C)Cc4ccc(OC)c(F)c4)CC3)n2)cc1 ZINC001308658879 1070412565 /nfs/dbraw/zinc/41/25/65/1070412565.db2.gz VKQXLVXHUXZPLX-SFHVURJKSA-N 1 0 454.546 3.889 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCn2ccnc2C)C[C@@H]1CC ZINC001314496500 1070417950 /nfs/dbraw/zinc/41/79/50/1070417950.db2.gz RKOLZHVCSMBRJD-FQEVSTJZSA-N 1 0 472.037 3.741 20 0 JHADRO COC(=O)[C@H](NC1CC[NH+](Cc2ccccc2Br)CC1)c1ccc2c(c1)CCO2 ZINC001308707960 1070422767 /nfs/dbraw/zinc/42/27/67/1070422767.db2.gz RXUHMBQGDOWQAB-JOCHJYFZSA-N 1 0 459.384 3.852 20 0 JHADRO Brc1cccc(OCC[N@@H+](Cc2cnc3n2CCOC3)C[C@@H]2CCCS2)c1 ZINC001308728639 1070426776 /nfs/dbraw/zinc/42/67/76/1070426776.db2.gz KNQZTOGBJKDINR-IBGZPJMESA-N 1 0 452.418 3.952 20 0 JHADRO COC(=O)[C@@H]1[C@H](C[NH+]2CCC(c3nc(-c4ccccc4Br)no3)CC2)C1(F)F ZINC001308737103 1070429139 /nfs/dbraw/zinc/42/91/39/1070429139.db2.gz XXHDUFGAGOIIQZ-ZFWWWQNUSA-N 1 0 456.287 3.733 20 0 JHADRO COC(=O)c1cccc(NC2CC[NH+](C[C@@H]3CC(F)(F)CN3C(=O)OC(C)(C)C)CC2)c1 ZINC001308744807 1070429181 /nfs/dbraw/zinc/42/91/81/1070429181.db2.gz YPNUTVOBEGJGMQ-IBGZPJMESA-N 1 0 453.530 3.994 20 0 JHADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)cc1O ZINC001308745223 1070429298 /nfs/dbraw/zinc/42/92/98/1070429298.db2.gz SKWUOAXGRVQPAD-GOSISDBHSA-N 1 0 458.990 3.555 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC(F)(F)C2)C[C@H]1CC ZINC001314500078 1070429602 /nfs/dbraw/zinc/42/96/02/1070429602.db2.gz PXABXLCMTVUVIV-NHCUHLMSSA-N 1 0 462.589 3.636 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC(F)(F)C2)C[C@@H]1CC ZINC001314500080 1070429763 /nfs/dbraw/zinc/42/97/63/1070429763.db2.gz PXABXLCMTVUVIV-RTWAWAEBSA-N 1 0 462.589 3.636 20 0 JHADRO Cn1cc([C@@H]2C[N@H+](Cc3cc(C(C)(C)NC(=O)OC(C)(C)C)no3)CC23CCOCC3)cn1 ZINC001308774715 1070435751 /nfs/dbraw/zinc/43/57/51/1070435751.db2.gz UHKYXEYEKPIPBZ-IBGZPJMESA-N 1 0 459.591 3.564 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001313465953 1070435801 /nfs/dbraw/zinc/43/58/01/1070435801.db2.gz QOTWHEWLSCSLAR-ZLNRFVROSA-N 1 0 474.694 3.569 20 0 JHADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(N3CCN(c4ccccc4)CC3)CCOCC2)c1 ZINC001308765479 1070433466 /nfs/dbraw/zinc/43/34/66/1070433466.db2.gz NNQMOBBUCDZQKV-HSZRJFAPSA-N 1 0 450.627 3.673 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)c2nc(C)cs2)C[C@H]1CC ZINC001314503302 1070439402 /nfs/dbraw/zinc/43/94/02/1070439402.db2.gz PAVRUIMEGCISIQ-DFQSSKMNSA-N 1 0 462.664 3.635 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001313466769 1070440715 /nfs/dbraw/zinc/44/07/15/1070440715.db2.gz UHOLVRCPHMDDOS-DHIUTWEWSA-N 1 0 484.664 3.871 20 0 JHADRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 ZINC001308811333 1070441210 /nfs/dbraw/zinc/44/12/10/1070441210.db2.gz MIZPIVGUTMFUDD-MCNSAMFCSA-N 1 0 459.587 3.816 20 0 JHADRO COC(=O)[C@@H]1CN(Cc2cc(F)ccc2Oc2ccc(Br)cc2)CC[N@H+](C)C1 ZINC001308822886 1070443593 /nfs/dbraw/zinc/44/35/93/1070443593.db2.gz MQQBJOGOYDKXNJ-INIZCTEOSA-N 1 0 451.336 3.917 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC3CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001308851763 1070448504 /nfs/dbraw/zinc/44/85/04/1070448504.db2.gz MJRYHFNWGJXMSZ-VAMGGRTRSA-N 1 0 453.624 3.638 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](CC(C)C)[NH+](C)C)C12CCCC2 ZINC001314506139 1070450878 /nfs/dbraw/zinc/45/08/78/1070450878.db2.gz IKICFNBMTPKENU-FDFHNCONSA-N 1 0 474.694 3.664 20 0 JHADRO CNc1ccccc1C[N@@H+]1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 ZINC001308872635 1070452309 /nfs/dbraw/zinc/45/23/09/1070452309.db2.gz IVGBQWVIMIUPJY-FQEVSTJZSA-N 1 0 454.619 3.888 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001313469568 1070453007 /nfs/dbraw/zinc/45/30/07/1070453007.db2.gz XEOXRRNXJSGFSW-SFHVURJKSA-N 1 0 459.038 3.683 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314506881 1070453117 /nfs/dbraw/zinc/45/31/17/1070453117.db2.gz SZXJHXNEIOYFPD-BJESRGMDSA-N 1 0 477.694 3.908 20 0 JHADRO Cn1nccc1[C@H](O)C1CC[NH+](Cc2ccc(N3CCC(C(=O)OC(C)(C)C)CC3)o2)CC1 ZINC001308874344 1070453218 /nfs/dbraw/zinc/45/32/18/1070453218.db2.gz MMBHSNHBFGGCDJ-HSZRJFAPSA-N 1 0 458.603 3.517 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(NC(=O)OC(C)(C)C)nn3)C2)ccn1 ZINC001308877762 1070453404 /nfs/dbraw/zinc/45/34/04/1070453404.db2.gz VZVNGTYSFYIDBV-NRFANRHFSA-N 1 0 456.591 3.712 20 0 JHADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(I)s3)C2)ccn1 ZINC001308875689 1070453449 /nfs/dbraw/zinc/45/34/49/1070453449.db2.gz GATUQKYLASYYGT-MRXNPFEDSA-N 1 0 457.381 3.853 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001313469648 1070453643 /nfs/dbraw/zinc/45/36/43/1070453643.db2.gz YGVXCLYVDMHTBT-LJQANCHMSA-N 1 0 456.635 3.854 20 0 JHADRO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC001308908521 1070458013 /nfs/dbraw/zinc/45/80/13/1070458013.db2.gz XHYFEOFIGZTYAX-IRXDYDNUSA-N 1 0 457.596 3.549 20 0 JHADRO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)O1 ZINC001308913762 1070459000 /nfs/dbraw/zinc/45/90/00/1070459000.db2.gz FCEFXBVPBUYTRG-MZEQIWSPSA-N 1 0 459.631 3.724 20 0 JHADRO COc1cccc2c1CCC[C@H]([NH2+]C[C@H]1CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O1)C2 ZINC001308946812 1070464743 /nfs/dbraw/zinc/46/47/43/1070464743.db2.gz XIAMNGOCZSXVBU-VQTJNVASSA-N 1 0 458.599 3.865 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313472206 1070465829 /nfs/dbraw/zinc/46/58/29/1070465829.db2.gz JNWHXFFCNWZGEQ-XZOQPEGZSA-N 1 0 480.701 3.926 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001314510387 1070466396 /nfs/dbraw/zinc/46/63/96/1070466396.db2.gz WLHBWRZXYPIUEO-FQEVSTJZSA-N 1 0 491.677 3.676 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001313471395 1070461582 /nfs/dbraw/zinc/46/15/82/1070461582.db2.gz JUPVGSZASVGZHU-IBGZPJMESA-N 1 0 488.080 3.857 20 0 JHADRO CC(C)(C)OC(=O)N(CCO)[C@H]1CCC[N@H+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001308989073 1070471430 /nfs/dbraw/zinc/47/14/30/1070471430.db2.gz ZJPKBJMDTQUQNN-CYFREDJKSA-N 1 0 455.640 3.717 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001314510475 1070467188 /nfs/dbraw/zinc/46/71/88/1070467188.db2.gz QKJRQEQGIHGVOW-JOCHJYFZSA-N 1 0 481.707 3.579 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC001313475354 1070475199 /nfs/dbraw/zinc/47/51/99/1070475199.db2.gz WLMWNQAMVZVHKL-UHFFFAOYSA-N 1 0 466.674 3.668 20 0 JHADRO CCCNC(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001313478661 1070489456 /nfs/dbraw/zinc/48/94/56/1070489456.db2.gz UDEHSTZGZQGMMP-UHFFFAOYSA-N 1 0 497.507 3.996 20 0 JHADRO CCCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001313486981 1070503666 /nfs/dbraw/zinc/50/36/66/1070503666.db2.gz HQLWXQZNYMQMEA-HXUWFJFHSA-N 1 0 486.636 3.786 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314522007 1070509624 /nfs/dbraw/zinc/50/96/24/1070509624.db2.gz BZODLCCSCBCGMA-SFTDATJTSA-N 1 0 498.697 3.732 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC001309054360 1070510965 /nfs/dbraw/zinc/51/09/65/1070510965.db2.gz YCHDKUDHBRVEKG-UHFFFAOYSA-N 1 0 456.439 3.918 20 0 JHADRO CCOc1ccc([C@@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)c2ccccc2)cc1 ZINC001309056669 1070512795 /nfs/dbraw/zinc/51/27/95/1070512795.db2.gz PLKSQNXTBWJMQQ-QHCPKHFHSA-N 1 0 456.612 3.528 20 0 JHADRO CCCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313497339 1070517882 /nfs/dbraw/zinc/51/78/82/1070517882.db2.gz OGKKTZZYIUUYGK-CVDCTZTESA-N 1 0 495.697 3.649 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccccc2F)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314524272 1070516250 /nfs/dbraw/zinc/51/62/50/1070516250.db2.gz PLQFXNUMSYVWID-KDURUIRLSA-N 1 0 479.666 3.712 20 0 JHADRO CCCOc1ccc(-c2nnc(N(C)C3CCC3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC001313501022 1070523366 /nfs/dbraw/zinc/52/33/66/1070523366.db2.gz LSUDUGQJXMKMPI-UHFFFAOYSA-N 1 0 471.646 3.967 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CCc2ccn(C)n2)cc1OC ZINC001313502552 1070528887 /nfs/dbraw/zinc/52/88/87/1070528887.db2.gz MBYTTXRAHCEYEP-WOJBJXKFSA-N 1 0 481.645 3.638 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC001309091480 1070534901 /nfs/dbraw/zinc/53/49/01/1070534901.db2.gz XCFCTGQZPIBJOM-MRXNPFEDSA-N 1 0 453.393 3.968 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCOCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001313504397 1070538532 /nfs/dbraw/zinc/53/85/32/1070538532.db2.gz GHFLLYMRVRVADG-HXUWFJFHSA-N 1 0 457.619 3.701 20 0 JHADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001309099976 1070539724 /nfs/dbraw/zinc/53/97/24/1070539724.db2.gz LHOCWTIYWYQQPY-WBVHZDCISA-N 1 0 453.402 3.880 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[C@@H]3C)n2C[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC001313505578 1070544475 /nfs/dbraw/zinc/54/44/75/1070544475.db2.gz JSVRWNTYKIESKA-UXHICEINSA-N 1 0 457.619 3.700 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@](C)(O)C2CC2)cc1OC ZINC001313506141 1070546425 /nfs/dbraw/zinc/54/64/25/1070546425.db2.gz NVFIXQYUIXIHLS-SANMLTNESA-N 1 0 471.646 3.824 20 0 JHADRO COC(=O)c1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc(F)c1F ZINC001309119371 1070550452 /nfs/dbraw/zinc/55/04/52/1070550452.db2.gz ONZKVOPLDMMKGL-UHFFFAOYSA-N 1 0 452.523 3.606 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2C[C@H](C)OC)cc1OC ZINC001313506933 1070550596 /nfs/dbraw/zinc/55/05/96/1070550596.db2.gz RIUBXZZGQHGKFL-FPOVZHCZSA-N 1 0 457.619 3.842 20 0 JHADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001309126478 1070553314 /nfs/dbraw/zinc/55/33/14/1070553314.db2.gz ANBMBNROCIVPRS-UHFFFAOYSA-N 1 0 451.898 3.977 20 0 JHADRO CC[S@](=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001314560959 1070562374 /nfs/dbraw/zinc/56/23/74/1070562374.db2.gz VGRFHVHBENKNJY-PIGAJQPTSA-N 1 0 480.078 3.905 20 0 JHADRO CCCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1OC ZINC001313512955 1070565635 /nfs/dbraw/zinc/56/56/35/1070565635.db2.gz ZUMKDZXAWKOSIB-VXKWHMMOSA-N 1 0 495.672 3.904 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CC[N@H+](CC)C2)n1 ZINC001314583045 1070597841 /nfs/dbraw/zinc/59/78/41/1070597841.db2.gz OENBFZUUPAMONW-IRXDYDNUSA-N 1 0 456.620 3.515 20 0 JHADRO CCSc1cc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)ccn1 ZINC001314583856 1070599760 /nfs/dbraw/zinc/59/97/60/1070599760.db2.gz QRSWZCZFOFKSTD-UHFFFAOYSA-N 1 0 468.675 3.791 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001313528675 1070607491 /nfs/dbraw/zinc/60/74/91/1070607491.db2.gz QNXNFUZJYXUHIO-GMAHTHKFSA-N 1 0 471.646 3.708 20 0 JHADRO CCSc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCCC3)CC2)c1 ZINC001314589012 1070614965 /nfs/dbraw/zinc/61/49/65/1070614965.db2.gz NARCOXICRYPKSS-UHFFFAOYSA-N 1 0 456.660 3.641 20 0 JHADRO O=S(=O)(NC[C@H](O)c1cccc(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309218890 1070617283 /nfs/dbraw/zinc/61/72/83/1070617283.db2.gz JSTPTCBENCPEKK-CCDWMCETSA-N 1 0 472.557 3.586 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001314593762 1070628917 /nfs/dbraw/zinc/62/89/17/1070628917.db2.gz ZOZRLZBULLUXIN-MOPGFXCFSA-N 1 0 457.648 3.522 20 0 JHADRO COC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001309235920 1070633686 /nfs/dbraw/zinc/63/36/86/1070633686.db2.gz MVLQSUIERUPDDX-FQEVSTJZSA-N 1 0 452.576 3.769 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@@H](CO)c2ccccc2)cc1 ZINC001309241830 1070637571 /nfs/dbraw/zinc/63/75/71/1070637571.db2.gz BVPAHXZHORLUHJ-GMQQYTKMSA-N 1 0 464.631 3.659 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(-c3cnccn3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC001314596760 1070638597 /nfs/dbraw/zinc/63/85/97/1070638597.db2.gz QRGYOKQEGZFEKI-GGAORHGYSA-N 1 0 487.718 3.984 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(-c3cccn3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314597777 1070641839 /nfs/dbraw/zinc/64/18/39/1070641839.db2.gz WKKHGVVTMKYBCJ-NHCUHLMSSA-N 1 0 460.692 3.752 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)Cc1cccc(F)c1Br ZINC001309247767 1070643280 /nfs/dbraw/zinc/64/32/80/1070643280.db2.gz BSSUKTUDECFAIK-DNVCBOLYSA-N 1 0 455.393 3.918 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001314599675 1070648059 /nfs/dbraw/zinc/64/80/59/1070648059.db2.gz WRVHSOJDORRELH-YMPZKCBVSA-N 1 0 472.703 3.875 20 0 JHADRO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001309261855 1070653153 /nfs/dbraw/zinc/65/31/53/1070653153.db2.gz NXNDRSFSFSHFAP-RBBKRZOGSA-N 1 0 457.640 3.890 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)(C)O)C1 ZINC001314607698 1070667671 /nfs/dbraw/zinc/66/76/71/1070667671.db2.gz NAZHVTTVQYNJTI-HSZRJFAPSA-N 1 0 486.730 3.526 20 0 JHADRO CCSCC[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[NH+]1CCC(C)CC1 ZINC001314608782 1070669734 /nfs/dbraw/zinc/66/97/34/1070669734.db2.gz IGYUJFDFRYTVTM-FQEVSTJZSA-N 1 0 497.713 3.892 20 0 JHADRO Cc1nc(S(=O)(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)sc1Br ZINC001309286818 1070670427 /nfs/dbraw/zinc/67/04/27/1070670427.db2.gz KSQLANMQEUENDX-ZDUSSCGKSA-N 1 0 450.468 3.879 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCCC2)C1 ZINC001314609285 1070670865 /nfs/dbraw/zinc/67/08/65/1070670865.db2.gz WHWVMHIHLGQSIW-LJQANCHMSA-N 1 0 476.716 3.868 20 0 JHADRO CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001313570356 1070684513 /nfs/dbraw/zinc/68/45/13/1070684513.db2.gz XYDPUGLBAVHJKC-UHFFFAOYSA-N 1 0 468.465 3.903 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCCN(CC(F)(F)F)CC2)c1 ZINC001313575814 1070691183 /nfs/dbraw/zinc/69/11/83/1070691183.db2.gz SKRQXXQIZZMWDN-OAQYLSRUSA-N 1 0 480.579 3.704 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](NC(C)=O)C2)c1 ZINC001313575863 1070691749 /nfs/dbraw/zinc/69/17/49/1070691749.db2.gz UUHQEINKFOEFFZ-QHCPKHFHSA-N 1 0 466.655 3.535 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc(CC(C)C)n3Cc3cccc(C[N@H+](C)CC)c3)CCO2)cn1 ZINC001313575885 1070691885 /nfs/dbraw/zinc/69/18/85/1070691885.db2.gz VLDKYMMEZJQMRY-XMMPIXPASA-N 1 0 465.646 3.771 20 0 JHADRO CCSCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001314618929 1070693351 /nfs/dbraw/zinc/69/33/51/1070693351.db2.gz BRBAUAAJNSMLMG-YPAWHYETSA-N 1 0 478.751 3.556 20 0 JHADRO C[C@H]1C[C@@H](CCNS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)C[N@@H+]1Cc1ccccc1 ZINC001309320786 1070696784 /nfs/dbraw/zinc/69/67/84/1070696784.db2.gz CMVMRSZLQFNLJA-AZUAARDMSA-N 1 0 455.624 3.885 20 0 JHADRO CCSCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001314619978 1070697151 /nfs/dbraw/zinc/69/71/51/1070697151.db2.gz FTMTYSWFIXOWLD-QFIPXVFZSA-N 1 0 457.688 3.869 20 0 JHADRO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(SC)CC[NH+](C)CC1)C(C)C ZINC001313582368 1070703413 /nfs/dbraw/zinc/70/34/13/1070703413.db2.gz NMPMZCSDRCNWCL-UHFFFAOYSA-N 1 0 493.747 3.609 20 0 JHADRO CC[N@H+](CCC1CCN(S(=O)(=O)Cc2ncsc2Br)CC1)CC(C)C ZINC001309341261 1070709874 /nfs/dbraw/zinc/70/98/74/1070709874.db2.gz AQMZSGDWJVLKNH-UHFFFAOYSA-N 1 0 452.484 3.815 20 0 JHADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC001309359539 1070721090 /nfs/dbraw/zinc/72/10/90/1070721090.db2.gz ZYUCKSWELSUFMI-ASDGIDEWSA-N 1 0 456.652 3.776 20 0 JHADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(F)cc1Br ZINC001309353791 1070716687 /nfs/dbraw/zinc/71/66/87/1070716687.db2.gz XDDJWMVSXMSKQJ-UHFFFAOYSA-N 1 0 456.381 3.910 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N2CC[C@@H](c3cccc(F)c3)C2)nnc1C(C)(C)C ZINC001314627938 1070722439 /nfs/dbraw/zinc/72/24/39/1070722439.db2.gz FLUVTQCGEWDNHP-IRLDBZIGSA-N 1 0 470.637 3.651 20 0 JHADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001309372108 1070730268 /nfs/dbraw/zinc/73/02/68/1070730268.db2.gz NOQBZCJKINYTJJ-UHFFFAOYSA-N 1 0 458.502 3.681 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCCCO2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001314628491 1070724194 /nfs/dbraw/zinc/72/41/94/1070724194.db2.gz IXTCLVFVWIURSD-VXKWHMMOSA-N 1 0 472.678 3.645 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N(C)Cc2ccc(Br)o2)nnc1C(C)(C)C ZINC001314629780 1070728764 /nfs/dbraw/zinc/72/87/64/1070728764.db2.gz UGZSZAWOAIAYGZ-QGZVFWFLSA-N 1 0 495.466 3.510 20 0 JHADRO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCCC1)C1CC1 ZINC001313609894 1070734380 /nfs/dbraw/zinc/73/43/80/1070734380.db2.gz RMJGCIUPDMZCDF-FPOVZHCZSA-N 1 0 476.666 3.697 20 0 JHADRO CN(C)C(=O)CCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001314632472 1070735408 /nfs/dbraw/zinc/73/54/08/1070735408.db2.gz SCFHTPCTUIGUTH-INIZCTEOSA-N 1 0 495.491 3.702 20 0 JHADRO CN(C)C(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001314636310 1070740431 /nfs/dbraw/zinc/74/04/31/1070740431.db2.gz DJPSLUDWNVAUOY-WMTXJRDZSA-N 1 0 488.721 3.767 20 0 JHADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)C1 ZINC001309390480 1070740580 /nfs/dbraw/zinc/74/05/80/1070740580.db2.gz GGDBITYJQZEUMK-CQSZACIVSA-N 1 0 457.365 3.953 20 0 JHADRO CN(C)C(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001314636309 1070740646 /nfs/dbraw/zinc/74/06/46/1070740646.db2.gz DJPSLUDWNVAUOY-CQOQZXRMSA-N 1 0 488.721 3.767 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CO)CC1)C1CCCCC1 ZINC001314647211 1070748702 /nfs/dbraw/zinc/74/87/02/1070748702.db2.gz NWKNNSJIXOBAFA-FQEVSTJZSA-N 1 0 479.467 3.755 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSCC1)c1ccsc1 ZINC001314647225 1070748856 /nfs/dbraw/zinc/74/88/56/1070748856.db2.gz ODPMROUSHLEBPY-LJQANCHMSA-N 1 0 491.086 3.779 20 0 JHADRO CN(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccsc1 ZINC001314646874 1070747431 /nfs/dbraw/zinc/74/74/31/1070747431.db2.gz FSRKUFKKXZUFRG-HXUWFJFHSA-N 1 0 496.685 3.600 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314648226 1070751719 /nfs/dbraw/zinc/75/17/19/1070751719.db2.gz FGIIZRNSVLFAPP-JOCHJYFZSA-N 1 0 495.603 3.839 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCCOCC1)c1ccco1 ZINC001314648317 1070751956 /nfs/dbraw/zinc/75/19/56/1070751956.db2.gz ZBWKHOGKBMVKRR-SFHVURJKSA-N 1 0 460.376 3.830 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC=C(Br)C1)c1ccsc1 ZINC001314648851 1070753542 /nfs/dbraw/zinc/75/35/42/1070753542.db2.gz JMFMLTZOZWSMCU-QGZVFWFLSA-N 1 0 460.405 3.588 20 0 JHADRO Cn1cc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC001314649263 1070754850 /nfs/dbraw/zinc/75/48/50/1070754850.db2.gz MZHMYCBYHPJTPB-LJQANCHMSA-N 1 0 463.483 3.819 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1ccco1 ZINC001314649595 1070756638 /nfs/dbraw/zinc/75/66/38/1070756638.db2.gz NCQIOKPCAOGVNL-DYESRHJHSA-N 1 0 466.508 3.699 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1cccc(F)c1 ZINC001314649804 1070756902 /nfs/dbraw/zinc/75/69/02/1070756902.db2.gz DRLGVWLZEBQYIR-MOPGFXCFSA-N 1 0 485.526 3.855 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)F)CC1)c1ccc(F)cc1 ZINC001314649889 1070757523 /nfs/dbraw/zinc/75/75/23/1070757523.db2.gz XWFGGFJEJXHBNA-LJQANCHMSA-N 1 0 493.965 3.823 20 0 JHADRO CCN(CC(C)C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001313629406 1070759749 /nfs/dbraw/zinc/75/97/49/1070759749.db2.gz AIXACEDBWLMDML-PZJWPPBQSA-N 1 0 476.666 3.553 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1)C1CC1 ZINC001314651009 1070759809 /nfs/dbraw/zinc/75/98/09/1070759809.db2.gz VNNORYKUEJGNCE-RBUKOAKNSA-N 1 0 482.620 3.967 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC1)c1ccccc1 ZINC001314650894 1070760060 /nfs/dbraw/zinc/76/00/60/1070760060.db2.gz MQNQBOZFKXFWKG-JOCHJYFZSA-N 1 0 484.645 3.532 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1)c1ccsc1 ZINC001314651063 1070760169 /nfs/dbraw/zinc/76/01/69/1070760169.db2.gz OLVMMZWNYJTOIU-GOSISDBHSA-N 1 0 456.582 3.984 20 0 JHADRO C[NH+](C)C1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC(C)(C)OC(C)(C)C2)CCC1 ZINC001314651155 1070760844 /nfs/dbraw/zinc/76/08/44/1070760844.db2.gz AOWHPXLCMYMMER-UHFFFAOYSA-N 1 0 489.064 3.740 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001313630061 1070760906 /nfs/dbraw/zinc/76/09/06/1070760906.db2.gz KPUDGRGSYNKYOK-FQEVSTJZSA-N 1 0 463.586 3.570 20 0 JHADRO C[NH+](C)C1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCC(C)(C)C2)CCOCC1 ZINC001314651933 1070761698 /nfs/dbraw/zinc/76/16/98/1070761698.db2.gz FPYHMJDEKCHBRH-UHFFFAOYSA-N 1 0 489.064 3.599 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[NH+]1CCSCC1 ZINC001313631356 1070762057 /nfs/dbraw/zinc/76/20/57/1070762057.db2.gz VKXYTQLUBZIDSJ-UHFFFAOYSA-N 1 0 483.686 3.767 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccsc1 ZINC001314652598 1070763662 /nfs/dbraw/zinc/76/36/62/1070763662.db2.gz VQEMXVZFRPMGAU-UXHICEINSA-N 1 0 490.674 3.941 20 0 JHADRO CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N[C@@H](C[N@H+](C)Cc3ccccc3)C(C)C)cc21 ZINC001309427752 1070763954 /nfs/dbraw/zinc/76/39/54/1070763954.db2.gz QORGHMYHSMTNHI-DVECYGJZSA-N 1 0 457.640 3.982 20 0 JHADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC001309427948 1070764000 /nfs/dbraw/zinc/76/40/00/1070764000.db2.gz VBVCMBFLVFXRCA-IBGZPJMESA-N 1 0 457.518 3.622 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC001314654047 1070767661 /nfs/dbraw/zinc/76/76/61/1070767661.db2.gz VCSKXWOKGFRIOX-FQEVSTJZSA-N 1 0 454.619 3.923 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001313636427 1070772187 /nfs/dbraw/zinc/77/21/87/1070772187.db2.gz MDKFTAXNBCTBST-AOHZBQACSA-N 1 0 488.721 3.767 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccco1 ZINC001314655464 1070772595 /nfs/dbraw/zinc/77/25/95/1070772595.db2.gz LFRMLVLTWBELOM-OAQYLSRUSA-N 1 0 482.604 3.599 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCCN(CC(F)(F)F)CC1)c1cccs1 ZINC001314655797 1070773495 /nfs/dbraw/zinc/77/34/95/1070773495.db2.gz NRFUVQBGSLMRQL-IBGZPJMESA-N 1 0 493.603 3.703 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCSC1 ZINC001314657411 1070776800 /nfs/dbraw/zinc/77/68/00/1070776800.db2.gz BSAWGLRBWHZLJT-NLFFAJNJSA-N 1 0 492.734 3.942 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CCC1 ZINC001314657542 1070776877 /nfs/dbraw/zinc/77/68/77/1070776877.db2.gz YJDZOLDFLGWWGG-IBGZPJMESA-N 1 0 469.634 3.566 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2cccc3cccnc32)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313637785 1070777035 /nfs/dbraw/zinc/77/70/35/1070777035.db2.gz RLYVQNGOWXXXHN-FQEVSTJZSA-N 1 0 463.630 3.672 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccco1 ZINC001314657596 1070777431 /nfs/dbraw/zinc/77/74/31/1070777431.db2.gz YPXIJVKSPBWBEC-QGZVFWFLSA-N 1 0 456.557 3.837 20 0 JHADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1 ZINC001309451894 1070778812 /nfs/dbraw/zinc/77/88/12/1070778812.db2.gz MALKWERJTHMHDV-UHFFFAOYSA-N 1 0 458.502 3.631 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)C3CCCCC3)CC2)CCSC1 ZINC001314658594 1070779787 /nfs/dbraw/zinc/77/97/87/1070779787.db2.gz DSSFPCILTKYZBF-RUZDIDTESA-N 1 0 476.735 3.533 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](Cc3ccccc3)C2)CCSC1 ZINC001314659842 1070782797 /nfs/dbraw/zinc/78/27/97/1070782797.db2.gz QUVYRMFGLDTDQJ-OFVILXPXSA-N 1 0 457.688 3.752 20 0 JHADRO CN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)C[NH+](C)C ZINC001314662462 1070789531 /nfs/dbraw/zinc/78/95/31/1070789531.db2.gz DVSUMNVYELHFRT-UHFFFAOYSA-N 1 0 481.004 3.867 20 0 JHADRO CCN(CC)C(=O)CCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001313642632 1070790116 /nfs/dbraw/zinc/79/01/16/1070790116.db2.gz IAHLVAMAEOSGHN-DEOSSOPVSA-N 1 0 482.673 3.799 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)C[NH+](C)C ZINC001314665292 1070796674 /nfs/dbraw/zinc/79/66/74/1070796674.db2.gz NLRXXGGWIGFFKX-QFIPXVFZSA-N 1 0 451.619 3.724 20 0 JHADRO CN(CC1CN(C(=O)OCc2ccccc2)C1)c1nnc(-c2cccnc2)n1CC(C)(C)C[NH+](C)C ZINC001314665249 1070796684 /nfs/dbraw/zinc/79/66/84/1070796684.db2.gz MITVDGVGNYARGU-UHFFFAOYSA-N 1 0 491.640 3.633 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001314666642 1070799538 /nfs/dbraw/zinc/79/95/38/1070799538.db2.gz UCUUCDPKWGLKFZ-ZCNNSNEGSA-N 1 0 478.682 3.642 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC(C)(C)C1 ZINC001314666737 1070800406 /nfs/dbraw/zinc/80/04/06/1070800406.db2.gz ZINZVXMUEREQQI-LJQANCHMSA-N 1 0 478.682 3.801 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001314669140 1070806545 /nfs/dbraw/zinc/80/65/45/1070806545.db2.gz WVQPFUPNJYMBGS-UHFFFAOYSA-N 1 0 478.641 3.646 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001314670141 1070810900 /nfs/dbraw/zinc/81/09/00/1070810900.db2.gz CRWZOTKCWXTXGO-HXUWFJFHSA-N 1 0 485.032 3.845 20 0 JHADRO C[NH+](C)CCOCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001314673477 1070819132 /nfs/dbraw/zinc/81/91/32/1070819132.db2.gz PSGKWDHYHDDUIZ-HXUWFJFHSA-N 1 0 450.027 3.676 20 0 JHADRO CN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[NH+]1CCCCCC1)[C@H]1CCSC1 ZINC001314676848 1070822091 /nfs/dbraw/zinc/82/20/91/1070822091.db2.gz GGOJPWLXBIYLKT-FQEVSTJZSA-N 1 0 477.078 3.679 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CCCOC1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314676979 1070823310 /nfs/dbraw/zinc/82/33/10/1070823310.db2.gz NXKDUDYKAVGXKR-JOCHJYFZSA-N 1 0 455.647 3.872 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001313651523 1070827024 /nfs/dbraw/zinc/82/70/24/1070827024.db2.gz GAKOHEAHXNNGSS-FUPPJEDESA-N 1 0 468.646 3.883 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCc2ccccc2F)CC1 ZINC001313652092 1070829092 /nfs/dbraw/zinc/82/90/92/1070829092.db2.gz PEFACMDBVZWULF-HXUWFJFHSA-N 1 0 486.636 3.569 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC001313652587 1070830568 /nfs/dbraw/zinc/83/05/68/1070830568.db2.gz WCXWWSFSKSQSHO-AZUAARDMSA-N 1 0 465.577 3.789 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1nccs1 ZINC001313652678 1070831336 /nfs/dbraw/zinc/83/13/36/1070831336.db2.gz XKFPJJOPXGVZLI-GOSISDBHSA-N 1 0 455.632 3.970 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(OC)C1 ZINC001313652805 1070831369 /nfs/dbraw/zinc/83/13/69/1070831369.db2.gz YYVRALWDNOKETB-NLFFAJNJSA-N 1 0 456.635 3.883 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001313653314 1070832799 /nfs/dbraw/zinc/83/27/99/1070832799.db2.gz AACDBADEDFPLSF-CPJSRVTESA-N 1 0 461.699 3.670 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001313654399 1070837691 /nfs/dbraw/zinc/83/76/91/1070837691.db2.gz KQENVKNPJFZMDQ-HXUWFJFHSA-N 1 0 488.080 3.914 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001313654395 1070837902 /nfs/dbraw/zinc/83/79/02/1070837902.db2.gz KPKOVEOVZHXKHO-UHFFFAOYSA-N 1 0 471.650 3.695 20 0 JHADRO CN(c1nnc(-c2cccnc2)n1CCNC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314684476 1070840828 /nfs/dbraw/zinc/84/08/28/1070840828.db2.gz BSUBKLDAIPPNKC-QFIPXVFZSA-N 1 0 477.613 3.576 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC=C(COC)CC1 ZINC001313657170 1070854902 /nfs/dbraw/zinc/85/49/02/1070854902.db2.gz OSGDACNRNRLNQP-MRXNPFEDSA-N 1 0 465.440 3.559 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1nncn1C ZINC001313656154 1070848715 /nfs/dbraw/zinc/84/87/15/1070848715.db2.gz FRYJJGKEAQMKDI-HBFSDRIKSA-N 1 0 470.597 3.758 20 0 JHADRO CC(C)[C@H](NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)C1(CO)CCC1 ZINC001309549948 1070848910 /nfs/dbraw/zinc/84/89/10/1070848910.db2.gz VYJRAQRVLBXMNO-GVAUOCQISA-N 1 0 474.642 3.900 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001313656327 1070849262 /nfs/dbraw/zinc/84/92/62/1070849262.db2.gz HWTFSQUFSNYPHM-GMQQQROESA-N 1 0 472.609 3.535 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001313656328 1070849509 /nfs/dbraw/zinc/84/95/09/1070849509.db2.gz HWTFSQUFSNYPHM-JZZBYWGLSA-N 1 0 472.609 3.535 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001313656686 1070851836 /nfs/dbraw/zinc/85/18/36/1070851836.db2.gz FPAQULVTBLGTPT-ZACQAIPSSA-N 1 0 456.056 3.587 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001313657025 1070853852 /nfs/dbraw/zinc/85/38/52/1070853852.db2.gz NRQONJNPMOGTDK-HNNXBMFYSA-N 1 0 488.434 3.501 20 0 JHADRO CN(c1nnc(Cc2ccsc2)n1CCC(C)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC001314698733 1070863464 /nfs/dbraw/zinc/86/34/64/1070863464.db2.gz RBBIIYBMKSYZRQ-UHFFFAOYSA-N 1 0 463.602 3.773 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001313657892 1070857899 /nfs/dbraw/zinc/85/78/99/1070857899.db2.gz PGWBPZCFHIOVJN-SIKLNZKXSA-N 1 0 452.647 3.784 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001313658002 1070858440 /nfs/dbraw/zinc/85/84/40/1070858440.db2.gz AWJRHMWTBDFVLL-VGOFRKELSA-N 1 0 456.541 3.927 20 0 JHADRO Cc1ccc(CCNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)nc1 ZINC001309563629 1070859457 /nfs/dbraw/zinc/85/94/57/1070859457.db2.gz DQRASNZSHXXDSJ-LOSJGSFVSA-N 1 0 453.583 3.659 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001313659814 1070864245 /nfs/dbraw/zinc/86/42/45/1070864245.db2.gz LCBJGFOKOSQNQR-LJQANCHMSA-N 1 0 497.619 3.553 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001313660663 1070866030 /nfs/dbraw/zinc/86/60/30/1070866030.db2.gz SEQMCNCMSKTJLG-ZWKOTPCHSA-N 1 0 498.594 3.765 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313660661 1070866308 /nfs/dbraw/zinc/86/63/08/1070866308.db2.gz SEQMCNCMSKTJLG-QZTJIDSGSA-N 1 0 498.594 3.765 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313660583 1070866481 /nfs/dbraw/zinc/86/64/81/1070866481.db2.gz SYYFUMNNOXOGBM-VAMGGRTRSA-N 1 0 473.666 3.753 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1c(C)noc1C ZINC001313660918 1070866801 /nfs/dbraw/zinc/86/68/01/1070866801.db2.gz UWBZMEJLVLHSBE-INIZCTEOSA-N 1 0 454.575 3.688 20 0 JHADRO CN(c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCSC(F)(F)F)C1CCC1 ZINC001314701267 1070867454 /nfs/dbraw/zinc/86/74/54/1070867454.db2.gz DVBQVYCWJFLRHB-UHFFFAOYSA-N 1 0 468.593 3.885 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001313661724 1070868355 /nfs/dbraw/zinc/86/83/55/1070868355.db2.gz YPLYZHJXVYLMTR-BXKMTCNYSA-N 1 0 472.996 3.961 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313661682 1070869126 /nfs/dbraw/zinc/86/91/26/1070869126.db2.gz HVDNWVDREFOVBH-CPJSRVTESA-N 1 0 451.619 3.866 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001313661862 1070869569 /nfs/dbraw/zinc/86/95/69/1070869569.db2.gz JRTXSPMLDHWHTG-MRXNPFEDSA-N 1 0 460.026 3.789 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001313662531 1070870762 /nfs/dbraw/zinc/87/07/62/1070870762.db2.gz UASXMGJQECKUQK-RTWAWAEBSA-N 1 0 469.678 3.758 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)s1 ZINC001313663010 1070871360 /nfs/dbraw/zinc/87/13/60/1070871360.db2.gz ZSRDNUOENWNKJY-CQSZACIVSA-N 1 0 464.437 3.926 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCSC1)c1ccccc1 ZINC001313663689 1070872704 /nfs/dbraw/zinc/87/27/04/1070872704.db2.gz GOHQVLPROFERML-NHCUHLMSSA-N 1 0 479.654 3.950 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCSC1)c1ccccc1 ZINC001313663691 1070873573 /nfs/dbraw/zinc/87/35/73/1070873573.db2.gz GOHQVLPROFERML-SFTDATJTSA-N 1 0 479.654 3.950 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001313667606 1070889415 /nfs/dbraw/zinc/88/94/15/1070889415.db2.gz YJDWXEOMZGMYQD-NJDAHSKKSA-N 1 0 492.709 3.984 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001313665992 1070882534 /nfs/dbraw/zinc/88/25/34/1070882534.db2.gz GEKDSMWMDMTKLY-KRWDZBQOSA-N 1 0 455.006 3.916 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2ccccc2F)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314709076 1070883846 /nfs/dbraw/zinc/88/38/46/1070883846.db2.gz RLEIIESHUNNEST-IBGZPJMESA-N 1 0 472.634 3.723 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)c1ccco1 ZINC001313666795 1070886285 /nfs/dbraw/zinc/88/62/85/1070886285.db2.gz XUKYLYYELIBNAF-IBGZPJMESA-N 1 0 459.639 3.708 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001313667605 1070889851 /nfs/dbraw/zinc/88/98/51/1070889851.db2.gz YJDWXEOMZGMYQD-HKBOAZHASA-N 1 0 492.709 3.984 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001314710152 1070887017 /nfs/dbraw/zinc/88/70/17/1070887017.db2.gz NCKZPPOBOCMBBE-LEWJYISDSA-N 1 0 460.667 3.668 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313667737 1070890066 /nfs/dbraw/zinc/89/00/66/1070890066.db2.gz LSKIPWVQMPZACB-WSTZPKSXSA-N 1 0 469.552 3.786 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001313667235 1070888069 /nfs/dbraw/zinc/88/80/69/1070888069.db2.gz KIWFGTWRAQOXGU-IBGZPJMESA-N 1 0 451.619 3.983 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313667910 1070891075 /nfs/dbraw/zinc/89/10/75/1070891075.db2.gz MGYWIOYUURFORW-NBGIEHNGSA-N 1 0 465.683 3.833 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001313669714 1070894782 /nfs/dbraw/zinc/89/47/82/1070894782.db2.gz XWVGITWSLUAETH-MSOLQXFVSA-N 1 0 457.573 3.605 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC2(CCCCC2)C1 ZINC001313669413 1070894807 /nfs/dbraw/zinc/89/48/07/1070894807.db2.gz WPDVJYZHVYGNJY-LJQANCHMSA-N 1 0 474.675 3.539 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001313669938 1070895358 /nfs/dbraw/zinc/89/53/58/1070895358.db2.gz GEXJTCFJMLZOTB-AUSIDOKSSA-N 1 0 452.578 3.711 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313669830 1070895742 /nfs/dbraw/zinc/89/57/42/1070895742.db2.gz DMTGODUONLOPDD-FQEVSTJZSA-N 1 0 476.691 3.965 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccco1 ZINC001313670038 1070896145 /nfs/dbraw/zinc/89/61/45/1070896145.db2.gz YCORYMYCOOLMKV-UYAOXDASSA-N 1 0 476.622 3.546 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001313670298 1070896852 /nfs/dbraw/zinc/89/68/52/1070896852.db2.gz GXTJYAFWNQJVFD-JOCHJYFZSA-N 1 0 481.689 3.613 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1)c1ccco1 ZINC001313671885 1070900732 /nfs/dbraw/zinc/90/07/32/1070900732.db2.gz CHGAHZAXZRRPTA-FQEVSTJZSA-N 1 0 471.005 3.976 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(C)=O)CC1)c1ccsc1 ZINC001313672053 1070901358 /nfs/dbraw/zinc/90/13/58/1070901358.db2.gz MHIJIFXIWJQLBS-FCHUYYIVSA-N 1 0 474.675 3.769 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)NC)C1)c1ccco1 ZINC001313672177 1070901477 /nfs/dbraw/zinc/90/14/77/1070901477.db2.gz DYWNIZVNTBBAPU-RBBKRZOGSA-N 1 0 464.614 3.892 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313672853 1070904829 /nfs/dbraw/zinc/90/48/29/1070904829.db2.gz BMFILIGPFZRTRV-HXUWFJFHSA-N 1 0 484.649 3.655 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C)c1ccco1 ZINC001313673146 1070906356 /nfs/dbraw/zinc/90/63/56/1070906356.db2.gz CNCXPFDFADUPTD-UGKGYDQZSA-N 1 0 498.603 3.729 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)c1ccccc1 ZINC001313673280 1070906563 /nfs/dbraw/zinc/90/65/63/1070906563.db2.gz DOJBBKUEEYMMOY-GMKZXUHWSA-N 1 0 468.646 3.517 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)C1)c1ccsc1 ZINC001313673874 1070909191 /nfs/dbraw/zinc/90/91/91/1070909191.db2.gz HHAWLOBQOADVRM-HSZRJFAPSA-N 1 0 496.681 3.897 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001313674400 1070910606 /nfs/dbraw/zinc/91/06/06/1070910606.db2.gz IXOHLZHQOBHNQK-FPOVZHCZSA-N 1 0 456.635 3.936 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1)c1ccsc1 ZINC001313676115 1070919703 /nfs/dbraw/zinc/91/97/03/1070919703.db2.gz CIWUUXRPIMYAON-JOCHJYFZSA-N 1 0 499.660 3.614 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NC)CC1)c1ccccc1 ZINC001313675425 1070915760 /nfs/dbraw/zinc/91/57/60/1070915760.db2.gz YZAHUUCUOZJZCU-GOTSBHOMSA-N 1 0 468.646 3.565 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(F)F)C1)c1ccsc1 ZINC001313675441 1070915838 /nfs/dbraw/zinc/91/58/38/1070915838.db2.gz ZGSLNMSJNCNGKG-BPQIPLTHSA-N 1 0 466.602 3.855 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(F)F)C1)c1ccsc1 ZINC001313675447 1070916579 /nfs/dbraw/zinc/91/65/79/1070916579.db2.gz ZGSLNMSJNCNGKG-RYQLBKOJSA-N 1 0 466.602 3.855 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC001313676556 1070921878 /nfs/dbraw/zinc/92/18/78/1070921878.db2.gz XCUXZFDLCPTRRY-OTWHNJEPSA-N 1 0 486.642 3.559 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccsc1 ZINC001313676848 1070922787 /nfs/dbraw/zinc/92/27/87/1070922787.db2.gz GHLUJQWXCIULIQ-QHCPKHFHSA-N 1 0 495.697 3.713 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(Cc2ccc(F)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001314723930 1070924534 /nfs/dbraw/zinc/92/45/34/1070924534.db2.gz ZNFLKUJXFCRRFR-UHFFFAOYSA-N 1 0 472.996 3.540 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccco1 ZINC001313678878 1070932174 /nfs/dbraw/zinc/93/21/74/1070932174.db2.gz OZBKRQDNUPEARX-AEFFLSMTSA-N 1 0 495.550 3.847 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccco1 ZINC001313678884 1070932263 /nfs/dbraw/zinc/93/22/63/1070932263.db2.gz OZBKRQDNUPEARX-WMZOPIPTSA-N 1 0 495.550 3.847 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1)c1ccco1 ZINC001313680251 1070938313 /nfs/dbraw/zinc/93/83/13/1070938313.db2.gz SIVBXNICWXBZPA-VQTJNVASSA-N 1 0 454.623 3.976 20 0 JHADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001309725338 1070940428 /nfs/dbraw/zinc/94/04/28/1070940428.db2.gz CGJZJJYHOKEAHJ-UHFFFAOYSA-N 1 0 450.333 3.936 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cncn2)C1)c1ccco1 ZINC001313680252 1070938511 /nfs/dbraw/zinc/93/85/11/1070938511.db2.gz SIVBXNICWXBZPA-WOJBJXKFSA-N 1 0 454.623 3.976 20 0 JHADRO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314726637 1070935183 /nfs/dbraw/zinc/93/51/83/1070935183.db2.gz JDOCLTASNVRIJV-JOCHJYFZSA-N 1 0 496.603 3.607 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1)c1ccccc1 ZINC001313681559 1070941369 /nfs/dbraw/zinc/94/13/69/1070941369.db2.gz XENIMWTXSFCIBN-YADHBBJMSA-N 1 0 467.618 3.829 20 0 JHADRO CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001313682842 1070943496 /nfs/dbraw/zinc/94/34/96/1070943496.db2.gz UDOQGJHESVEXGC-UHFFFAOYSA-N 1 0 475.435 3.881 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313691547 1070951468 /nfs/dbraw/zinc/95/14/68/1070951468.db2.gz OZHVPMQRXGLWLX-MSZDEVHKSA-N 1 0 477.694 3.833 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001313691798 1070952641 /nfs/dbraw/zinc/95/26/41/1070952641.db2.gz XHARHRFONBCZIB-NMMYMHLASA-N 1 0 451.631 3.768 20 0 JHADRO COC(=O)c1cc2ccccc2cc1S(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001309752967 1070953820 /nfs/dbraw/zinc/95/38/20/1070953820.db2.gz LNHLLOTVBNVOQN-XMSQKQJNSA-N 1 0 452.576 3.673 20 0 JHADRO COC(=O)c1cc2ccccc2cc1S(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001309752961 1070953861 /nfs/dbraw/zinc/95/38/61/1070953861.db2.gz LNHLLOTVBNVOQN-AVRDEDQJSA-N 1 0 452.576 3.673 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2nnc(C)s2)CC1 ZINC001313693048 1070954021 /nfs/dbraw/zinc/95/40/21/1070954021.db2.gz HGOQSNUCGXUDCX-UHFFFAOYSA-N 1 0 457.623 3.721 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 ZINC001313695069 1070958728 /nfs/dbraw/zinc/95/87/28/1070958728.db2.gz LJORNIBQAUVXGC-CQSZACIVSA-N 1 0 489.974 3.547 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CCC2)CC1 ZINC001313695431 1070959982 /nfs/dbraw/zinc/95/99/82/1070959982.db2.gz ACZKEKBBKBXAGW-UHFFFAOYSA-N 1 0 462.436 3.933 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)c2ccccn2)CC1 ZINC001313696791 1070964550 /nfs/dbraw/zinc/96/45/50/1070964550.db2.gz IZZIYYLFFTXZFD-UHFFFAOYSA-N 1 0 495.697 3.953 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(-c2ccc[nH]2)n1CC[N@H+](C)C1CCCCC1 ZINC001314736381 1070962646 /nfs/dbraw/zinc/96/26/46/1070962646.db2.gz COKVZIOOAGEKLF-JGCGQSQUSA-N 1 0 454.644 3.912 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CCC(=O)N(C)C)CC1 ZINC001313696534 1070964012 /nfs/dbraw/zinc/96/40/12/1070964012.db2.gz ILOJENAJFHLEPN-UHFFFAOYSA-N 1 0 463.630 3.591 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001313696829 1070964040 /nfs/dbraw/zinc/96/40/40/1070964040.db2.gz XIEOSWJBWCXNFJ-LJQANCHMSA-N 1 0 480.078 3.876 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NC2CCCCC2)CC1 ZINC001313698015 1070968925 /nfs/dbraw/zinc/96/89/25/1070968925.db2.gz YWYHBYYGNLDKNT-UHFFFAOYSA-N 1 0 482.673 3.925 20 0 JHADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314738262 1070968919 /nfs/dbraw/zinc/96/89/19/1070968919.db2.gz ATBZCIMVCUYSPU-NRFANRHFSA-N 1 0 496.662 3.744 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2snnc2C)CC1 ZINC001313697898 1070969010 /nfs/dbraw/zinc/96/90/10/1070969010.db2.gz XRSLJUCOMBTHFI-UHFFFAOYSA-N 1 0 469.659 3.993 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)CC)CC1 ZINC001313698246 1070969660 /nfs/dbraw/zinc/96/96/60/1070969660.db2.gz VNFKKXCSELQDFG-UHFFFAOYSA-N 1 0 488.485 3.997 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)COC)CC1 ZINC001313698634 1070970989 /nfs/dbraw/zinc/97/09/89/1070970989.db2.gz AYNPWNKAILTZPL-KRWDZBQOSA-N 1 0 497.471 3.525 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC001313699615 1070974727 /nfs/dbraw/zinc/97/47/27/1070974727.db2.gz DNPKPMFWSOBZDN-UTKZUKDTSA-N 1 0 489.546 3.781 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC([C@@H]3CCOC3)CC2)c1 ZINC001313699679 1070974809 /nfs/dbraw/zinc/97/48/09/1070974809.db2.gz GUFJQJVPLNLEHN-XMMPIXPASA-N 1 0 482.673 3.559 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2c(C)noc2C)C1 ZINC001313701240 1070979993 /nfs/dbraw/zinc/97/99/93/1070979993.db2.gz CZVKPHKHNGNIRQ-LJQANCHMSA-N 1 0 468.602 3.784 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCOC[C@H]2OC)C1 ZINC001313701517 1070980003 /nfs/dbraw/zinc/98/00/03/1070980003.db2.gz HTROIYXCMGZFRU-NJNPRVFISA-N 1 0 480.028 3.957 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(=O)NC(C)C)C1 ZINC001313701291 1070980123 /nfs/dbraw/zinc/98/01/23/1070980123.db2.gz DUPKMCMNCIHMEC-IBGZPJMESA-N 1 0 472.703 3.968 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(OC)CCOC2)C1 ZINC001313701680 1070980596 /nfs/dbraw/zinc/98/05/96/1070980596.db2.gz JGWXPVLXBPOIOU-GAJHUEQPSA-N 1 0 466.001 3.711 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ncccc2F)C1 ZINC001313701657 1070980612 /nfs/dbraw/zinc/98/06/12/1070980612.db2.gz JDWJNZBODYYDGJ-QGZVFWFLSA-N 1 0 473.984 3.775 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(N3CC[C@H](CN4CCOCC4)C3)nnc2C(C)(C)C)cc1 ZINC001313700634 1070977380 /nfs/dbraw/zinc/97/73/80/1070977380.db2.gz VNQFTPJHOUIEFU-XMMPIXPASA-N 1 0 468.690 3.624 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2[C@H]2C[C@@H]2C)CC1 ZINC001313700879 1070978055 /nfs/dbraw/zinc/97/80/55/1070978055.db2.gz MHHQJHLLGSKBBZ-BVSLBCMMSA-N 1 0 468.646 3.606 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)c2ccc(C)cc2)CC1 ZINC001313702158 1070982802 /nfs/dbraw/zinc/98/28/02/1070982802.db2.gz AIGSAJVNQHNNAX-ISKFKSNPSA-N 1 0 482.673 3.622 20 0 JHADRO CN(Cc1cccc(OC(F)F)c1)c1nnc([C@H]2CCCCO2)n1CC[NH+]1CCSCC1 ZINC001314743198 1070983872 /nfs/dbraw/zinc/98/38/72/1070983872.db2.gz JAUHPVMVDREUDH-LJQANCHMSA-N 1 0 467.586 3.806 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313703707 1070988028 /nfs/dbraw/zinc/98/80/28/1070988028.db2.gz QQAKIDFMIBHCLU-UHFFFAOYSA-N 1 0 454.663 3.986 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(C)(C)C)C2)c1 ZINC001313703712 1070988077 /nfs/dbraw/zinc/98/80/77/1070988077.db2.gz QSOMEEVBHXNRSH-QHCPKHFHSA-N 1 0 482.673 3.542 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313703737 1070988113 /nfs/dbraw/zinc/98/81/13/1070988113.db2.gz QXUDSTXJCXOTCR-UHFFFAOYSA-N 1 0 464.614 3.795 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2Cc2cccc(C(F)(F)F)c2)CC1 ZINC001313704000 1070989303 /nfs/dbraw/zinc/98/93/03/1070989303.db2.gz KUKQSPDRTQYDMA-UHFFFAOYSA-N 1 0 478.563 3.603 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)S[C@@H](C)C2)c1 ZINC001313704095 1070989846 /nfs/dbraw/zinc/98/98/46/1070989846.db2.gz UPITVMNVRAGVKG-PMACEKPBSA-N 1 0 470.687 3.621 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2CCc2nc(C(C)(C)C)cs2)CC1 ZINC001313704706 1070991822 /nfs/dbraw/zinc/99/18/22/1070991822.db2.gz OYPVBOSFWGRPOV-UHFFFAOYSA-N 1 0 487.718 3.533 20 0 JHADRO CN(Cc1ccccc1Br)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314746816 1070993174 /nfs/dbraw/zinc/99/31/74/1070993174.db2.gz RKQDEVAJVFKKQQ-QZTJIDSGSA-N 1 0 487.402 3.524 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2C[C@@H](C)[C@H](N3CCOCC3)C2)nnc1C(C)(C)C ZINC001313705809 1070994457 /nfs/dbraw/zinc/99/44/57/1070994457.db2.gz VFSLXJQUJUZQKT-ZJSXRUAMSA-N 1 0 468.690 3.623 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCS[C@H](C(C)C)C2)cc1 ZINC001313705729 1070994492 /nfs/dbraw/zinc/99/44/92/1070994492.db2.gz TWPGZMUYXGRXNZ-YADHBBJMSA-N 1 0 470.687 3.697 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313705852 1070994997 /nfs/dbraw/zinc/99/49/97/1070994997.db2.gz VZMPBYDZAGATEH-ATIYNZHBSA-N 1 0 468.646 3.515 20 0 JHADRO CN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314747552 1070995689 /nfs/dbraw/zinc/99/56/89/1070995689.db2.gz GMQYWCRGHBVUKJ-HXUWFJFHSA-N 1 0 456.591 3.540 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(F)c(F)c2)C1 ZINC001313706145 1070995790 /nfs/dbraw/zinc/99/57/90/1070995790.db2.gz AIUWYQRMUIUREA-SFHVURJKSA-N 1 0 458.557 3.809 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 ZINC001313706459 1070996377 /nfs/dbraw/zinc/99/63/77/1070996377.db2.gz XIFCQNMZAFYPCA-JOCHJYFZSA-N 1 0 454.663 3.849 20 0 JHADRO O=S(=O)(C[C@H]1CCCCC1(F)F)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001309853569 1070996590 /nfs/dbraw/zinc/99/65/90/1070996590.db2.gz ZLFGMGXVUOPJHU-RTWAWAEBSA-N 1 0 456.599 3.945 20 0 JHADRO O=S(=O)(C[C@@H]1CCCCC1(F)F)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001309853570 1070996607 /nfs/dbraw/zinc/99/66/07/1070996607.db2.gz ZLFGMGXVUOPJHU-SFTDATJTSA-N 1 0 456.599 3.945 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)cc2F)C1 ZINC001313709816 1071003513 /nfs/dbraw/zinc/00/35/13/1071003513.db2.gz QYFCCRGXPWPYAO-FQEVSTJZSA-N 1 0 469.609 3.504 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)cc2F)C1 ZINC001313708258 1070999751 /nfs/dbraw/zinc/99/97/51/1070999751.db2.gz RUGNRYUMIXMVNQ-LJQANCHMSA-N 1 0 465.577 3.589 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[C@H](O)C2)C1 ZINC001313708632 1071000570 /nfs/dbraw/zinc/00/05/70/1071000570.db2.gz YFYXUNFVKKPNTJ-AOIWGVFYSA-N 1 0 479.467 3.755 20 0 JHADRO CCn1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)c1=O ZINC001313709258 1071002047 /nfs/dbraw/zinc/00/20/47/1071002047.db2.gz JJXNKDSTVYZCPQ-MDNUFGMLSA-N 1 0 484.689 3.595 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001313712720 1071009360 /nfs/dbraw/zinc/00/93/60/1071009360.db2.gz SRPAGVDFUXJVMA-HNNXBMFYSA-N 1 0 453.418 3.651 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001313711801 1071006921 /nfs/dbraw/zinc/00/69/21/1071006921.db2.gz HGBQGILOWYSBPB-QGZVFWFLSA-N 1 0 462.023 3.760 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313711706 1071006959 /nfs/dbraw/zinc/00/69/59/1071006959.db2.gz GDEURMAHVLEWLB-UHFFFAOYSA-N 1 0 455.525 3.579 20 0 JHADRO CN(Cc1ccccn1)c1nnc(COc2ccccc2F)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314754363 1071007194 /nfs/dbraw/zinc/00/71/94/1071007194.db2.gz CETOPYUTPJEQCF-HXUWFJFHSA-N 1 0 450.518 3.924 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313712699 1071009559 /nfs/dbraw/zinc/00/95/59/1071009559.db2.gz VNQYWDSFVWOUIK-OXJNMPFZSA-N 1 0 485.551 3.850 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001313712337 1071008352 /nfs/dbraw/zinc/00/83/52/1071008352.db2.gz ODTBKVFAENXEBF-GOSISDBHSA-N 1 0 458.676 3.674 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313712596 1071008836 /nfs/dbraw/zinc/00/88/36/1071008836.db2.gz UJNZQWVYYGELLS-SFHVURJKSA-N 1 0 494.482 3.509 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(F)(F)F ZINC001313713210 1071010354 /nfs/dbraw/zinc/01/03/54/1071010354.db2.gz XJWIQNIDINOWLA-UHFFFAOYSA-N 1 0 451.335 3.777 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2ccc(Br)cc2)nnc1N1CCc2oncc2C1 ZINC001313715339 1071014298 /nfs/dbraw/zinc/01/42/98/1071014298.db2.gz CPOPHNJJXGZJQL-UHFFFAOYSA-N 1 0 489.418 3.902 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314759435 1071014481 /nfs/dbraw/zinc/01/44/81/1071014481.db2.gz FMWRHGHTHPXYNZ-IBGZPJMESA-N 1 0 476.398 3.557 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)COC)C1 ZINC001313713487 1071010951 /nfs/dbraw/zinc/01/09/51/1071010951.db2.gz UVBOGOIUFBXYEM-SFTDATJTSA-N 1 0 492.709 3.843 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(F)cc(F)c(F)c2F)C1 ZINC001313713851 1071011300 /nfs/dbraw/zinc/01/13/00/1071011300.db2.gz VREWJXKEHQPBOF-JKSUJKDBSA-N 1 0 469.527 3.945 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001313714079 1071011779 /nfs/dbraw/zinc/01/17/79/1071011779.db2.gz WIYSTAWQHXXWJG-QFIPXVFZSA-N 1 0 484.664 3.825 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Br)nnc1N1CCC(NC(C)=O)CC1 ZINC001313714667 1071012463 /nfs/dbraw/zinc/01/24/63/1071012463.db2.gz NLCCJZLHTGFJPO-UHFFFAOYSA-N 1 0 477.451 3.544 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001313714932 1071013509 /nfs/dbraw/zinc/01/35/09/1071013509.db2.gz WRWQPFKGOLMDDA-UHFFFAOYSA-N 1 0 466.552 3.572 20 0 JHADRO CC[NH+](CC)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001313715514 1071014817 /nfs/dbraw/zinc/01/48/17/1071014817.db2.gz FXXCKNYNEIQURL-UHFFFAOYSA-N 1 0 465.646 3.961 20 0 JHADRO COC(=O)C1(CS(=O)(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCC1 ZINC001309913400 1071014943 /nfs/dbraw/zinc/01/49/43/1071014943.db2.gz RSQPIPKACJDRHN-UKILVPOCSA-N 1 0 470.635 3.698 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001313716489 1071015969 /nfs/dbraw/zinc/01/59/69/1071015969.db2.gz RQDKOFBXNJVPAZ-UHFFFAOYSA-N 1 0 497.047 3.976 20 0 JHADRO CC[NH+](CC)CCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001313716365 1071016070 /nfs/dbraw/zinc/01/60/70/1071016070.db2.gz QVNPXRGOGIQOBH-UHFFFAOYSA-N 1 0 499.729 3.949 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001313716587 1071016284 /nfs/dbraw/zinc/01/62/84/1071016284.db2.gz TWDYJFGFHAFVQO-HXUWFJFHSA-N 1 0 465.646 3.851 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314761038 1071017658 /nfs/dbraw/zinc/01/76/58/1071017658.db2.gz VTKSKAQBCAZLQA-QHAWAJNXSA-N 1 0 471.675 3.931 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001313718172 1071018162 /nfs/dbraw/zinc/01/81/62/1071018162.db2.gz NEOKARRGYBSKRN-MZKRTTBSSA-N 1 0 457.619 3.774 20 0 JHADRO CC[NH+](CC)CCOCCn1c(N2CCN(c3cc(C)ccc3C)CC2)nnc1C(C)(C)C ZINC001313718248 1071018239 /nfs/dbraw/zinc/01/82/39/1071018239.db2.gz PGNGJIVHZYNNAG-UHFFFAOYSA-N 1 0 456.679 3.877 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313718484 1071018588 /nfs/dbraw/zinc/01/85/88/1071018588.db2.gz KPFPNSRCXLVQAY-NJDAHSKKSA-N 1 0 478.682 3.644 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001313718924 1071019173 /nfs/dbraw/zinc/01/91/73/1071019173.db2.gz HFVPZEXRKNODSZ-CEXWTWQISA-N 1 0 461.582 3.677 20 0 JHADRO CC[NH+](CC)CCOCCn1c(N2CCO[C@H](c3ccc(F)c(F)c3)C2)nnc1C(C)(C)C ZINC001313718666 1071019191 /nfs/dbraw/zinc/01/91/91/1071019191.db2.gz AKUJXQWEEXBDAT-NRFANRHFSA-N 1 0 465.589 3.790 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001313719808 1071020823 /nfs/dbraw/zinc/02/08/23/1071020823.db2.gz WRNVQWVNQPNDJH-NYUJMHJJSA-N 1 0 468.646 3.624 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001313720147 1071020955 /nfs/dbraw/zinc/02/09/55/1071020955.db2.gz UUMOWHGTMZDTCC-JOCHJYFZSA-N 1 0 475.081 3.880 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001313722136 1071025808 /nfs/dbraw/zinc/02/58/08/1071025808.db2.gz XVBCYSFHLBSGQS-BEFAXECRSA-N 1 0 459.982 3.598 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001313722383 1071026344 /nfs/dbraw/zinc/02/63/44/1071026344.db2.gz YBWCNLXGDQQEJH-IEBWSBKVSA-N 1 0 453.591 3.759 20 0 JHADRO CC[NH+](CC)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001313721406 1071023913 /nfs/dbraw/zinc/02/39/13/1071023913.db2.gz ZRTJQJVEJHREGA-HSZRJFAPSA-N 1 0 493.077 3.987 20 0 JHADRO CC[NH+](CC)CCCn1c(N2CCC=C(Br)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313721359 1071024046 /nfs/dbraw/zinc/02/40/46/1071024046.db2.gz ZBYBNVXCTBQNLW-OAQYLSRUSA-N 1 0 470.456 3.540 20 0 JHADRO CCCN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC001309946117 1071025336 /nfs/dbraw/zinc/02/53/36/1071025336.db2.gz RPDAGWGXXMAIHE-UHFFFAOYSA-N 1 0 459.587 3.776 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001313723339 1071028675 /nfs/dbraw/zinc/02/86/75/1071028675.db2.gz IKUOEMGPUGXWED-RBUKOAKNSA-N 1 0 475.707 3.841 20 0 JHADRO CC1(C)CCN(S(=O)(=O)c2ccc(Br)cc2Br)CC(C)(C)[NH2+]1 ZINC001309961483 1071029351 /nfs/dbraw/zinc/02/93/51/1071029351.db2.gz STOCXSPFXNTQFR-UHFFFAOYSA-N 1 0 454.228 3.753 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC001313723620 1071029346 /nfs/dbraw/zinc/02/93/46/1071029346.db2.gz UXNIZNUUUUVAQZ-QUCCMNQESA-N 1 0 452.607 3.961 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001313723751 1071029700 /nfs/dbraw/zinc/02/97/00/1071029700.db2.gz LVHZYVNQZLLWKE-OAQYLSRUSA-N 1 0 467.662 3.608 20 0 JHADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc(C)c1OCc1ccccc1 ZINC001309965351 1071030603 /nfs/dbraw/zinc/03/06/03/1071030603.db2.gz KYJBQSFNWVOYLP-HSZRJFAPSA-N 1 0 458.624 3.804 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001313722902 1071027845 /nfs/dbraw/zinc/02/78/45/1071027845.db2.gz HYGNXAJFSCUNCX-OPYAIIAOSA-N 1 0 472.703 3.967 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001313722893 1071027948 /nfs/dbraw/zinc/02/79/48/1071027948.db2.gz HVYRNKVUYICGCD-KURKYZTESA-N 1 0 458.676 3.529 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313723096 1071028284 /nfs/dbraw/zinc/02/82/84/1071028284.db2.gz GIOOWIDQKPBKAO-LJQANCHMSA-N 1 0 465.646 3.851 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001313724632 1071031112 /nfs/dbraw/zinc/03/11/12/1071031112.db2.gz AQKRJAKMBIGHMK-PUHATCMVSA-N 1 0 463.667 3.805 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001313725683 1071033008 /nfs/dbraw/zinc/03/30/08/1071033008.db2.gz OBXHNKQRPJVDRR-CGXNFDGLSA-N 1 0 476.666 3.553 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](COC)C1 ZINC001313725624 1071033190 /nfs/dbraw/zinc/03/31/90/1071033190.db2.gz MRLSTUNSDKJZNU-QHAWAJNXSA-N 1 0 478.682 3.596 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001313725709 1071033697 /nfs/dbraw/zinc/03/36/97/1071033697.db2.gz PCQAZXIJWMWIPA-BAGYTPMASA-N 1 0 459.660 3.560 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001313725900 1071034190 /nfs/dbraw/zinc/03/41/90/1071034190.db2.gz ULOMTPMUQAZENS-LJQANCHMSA-N 1 0 498.079 3.867 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001313725974 1071034198 /nfs/dbraw/zinc/03/41/98/1071034198.db2.gz WDHVCLWAJULFMD-ZJSXRUAMSA-N 1 0 482.673 3.991 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001313726207 1071034627 /nfs/dbraw/zinc/03/46/27/1071034627.db2.gz BNTOZGAJDMVWMO-CWKRKGSWSA-N 1 0 488.721 3.670 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001313727007 1071036143 /nfs/dbraw/zinc/03/61/43/1071036143.db2.gz JOKFJFMTPGWSND-JOCHJYFZSA-N 1 0 497.663 3.583 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001309980360 1071037293 /nfs/dbraw/zinc/03/72/93/1071037293.db2.gz JIOAVUJYGOEIJN-WMZHIEFXSA-N 1 0 456.612 3.503 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313728747 1071040659 /nfs/dbraw/zinc/04/06/59/1071040659.db2.gz VEKRFPZNMIWLPE-WSTZPKSXSA-N 1 0 453.553 3.950 20 0 JHADRO CN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314774366 1071043076 /nfs/dbraw/zinc/04/30/76/1071043076.db2.gz IPTJVMIRRZEOHS-UHFFFAOYSA-N 1 0 451.619 3.983 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(CN2CCCC2=O)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313729890 1071043184 /nfs/dbraw/zinc/04/31/84/1071043184.db2.gz DFXWZSVWUXOOCS-RTBURBONSA-N 1 0 474.600 3.826 20 0 JHADRO C[C@H]1C[C@H](CCNC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC001309993691 1071043412 /nfs/dbraw/zinc/04/34/12/1071043412.db2.gz KJFFACQMGLUKFN-FPOVZHCZSA-N 1 0 456.612 3.649 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001313731850 1071048147 /nfs/dbraw/zinc/04/81/47/1071048147.db2.gz WITNDPSOTURCTQ-SPEDKVCISA-N 1 0 474.600 3.902 20 0 JHADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001309996483 1071046101 /nfs/dbraw/zinc/04/61/01/1071046101.db2.gz BKNBIJKMKRWEAT-UGKGYDQZSA-N 1 0 450.649 3.835 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314775909 1071047242 /nfs/dbraw/zinc/04/72/42/1071047242.db2.gz WTSZYKJKCOFNMH-GOSISDBHSA-N 1 0 462.429 3.886 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001314775952 1071047629 /nfs/dbraw/zinc/04/76/29/1071047629.db2.gz XVDSIJYFMIBDOV-UHFFFAOYSA-N 1 0 460.001 3.906 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001313732339 1071049745 /nfs/dbraw/zinc/04/97/45/1071049745.db2.gz BXVHAWZEBJXGBZ-DEOSSOPVSA-N 1 0 475.641 3.717 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(Cl)c2)n1CC[N@H+](C)C1CCCC1 ZINC001314777902 1071051482 /nfs/dbraw/zinc/05/14/82/1071051482.db2.gz XXUUNOHNBHXNGA-UHFFFAOYSA-N 1 0 478.979 3.966 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001313734174 1071053802 /nfs/dbraw/zinc/05/38/02/1071053802.db2.gz MNRGWODJZDXGOV-JOCHJYFZSA-N 1 0 456.610 3.654 20 0 JHADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC001310004108 1071052078 /nfs/dbraw/zinc/05/20/78/1071052078.db2.gz OZYNMXREHAFYQI-DEOSSOPVSA-N 1 0 450.564 3.759 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314782795 1071058422 /nfs/dbraw/zinc/05/84/22/1071058422.db2.gz NRELJQNHACOEMB-LJQANCHMSA-N 1 0 456.994 3.912 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(COc2ccccc2F)n1CC[NH+]1CCSCC1 ZINC001314783272 1071059026 /nfs/dbraw/zinc/05/90/26/1071059026.db2.gz XENUBAWTWPPMSG-UHFFFAOYSA-N 1 0 455.550 3.527 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCc2cccnc2OCC(F)F)CC1 ZINC001310017274 1071061644 /nfs/dbraw/zinc/06/16/44/1071061644.db2.gz CKRBUVUCWHPLBJ-UHFFFAOYSA-N 1 0 453.921 3.843 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](c3cnn(C)c3)c3ccc(F)cc3)c(C)c2)CC1 ZINC001310018023 1071063019 /nfs/dbraw/zinc/06/30/19/1071063019.db2.gz BZAKBEYGHMZBGS-XMMPIXPASA-N 1 0 450.562 3.921 20 0 JHADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc([C@@H]2CCCOC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001313738753 1071063221 /nfs/dbraw/zinc/06/32/21/1071063221.db2.gz NKWIWCOWEJZUFA-RTWAWAEBSA-N 1 0 457.619 3.904 20 0 JHADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc([C@@H]2CCCOC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001313738751 1071063344 /nfs/dbraw/zinc/06/33/44/1071063344.db2.gz NKWIWCOWEJZUFA-NHCUHLMSSA-N 1 0 457.619 3.904 20 0 JHADRO CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001310015585 1071059991 /nfs/dbraw/zinc/05/99/91/1071059991.db2.gz SKXZVGJBJSPWAQ-QFIPXVFZSA-N 1 0 458.628 3.749 20 0 JHADRO CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC001310022304 1071066714 /nfs/dbraw/zinc/06/67/14/1071066714.db2.gz BQGZRCQXXWWBOD-MOPGFXCFSA-N 1 0 450.649 3.882 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313741747 1071067697 /nfs/dbraw/zinc/06/76/97/1071067697.db2.gz SQVMZMHBAAODEN-NDEPHWFRSA-N 1 0 498.716 3.680 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313741835 1071067743 /nfs/dbraw/zinc/06/77/43/1071067743.db2.gz SREWANCDYHSFNJ-FGZHOGPDSA-N 1 0 482.673 3.623 20 0 JHADRO CC(C)[NH+](CCCNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)C(C)C ZINC001310043307 1071079864 /nfs/dbraw/zinc/07/98/64/1071079864.db2.gz OYFYEPPPYONQBW-BGYRXZFFSA-N 1 0 452.665 3.984 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001313748581 1071079110 /nfs/dbraw/zinc/07/91/10/1071079110.db2.gz YYYUEXDMKLIIBK-TZIWHRDSSA-N 1 0 477.650 3.610 20 0 JHADRO CN(C(=O)Nc1ccccc1C(=O)N1CCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001310049660 1071085149 /nfs/dbraw/zinc/08/51/49/1071085149.db2.gz RJUAHRHHEVQAPY-ZEQRLZLVSA-N 1 0 455.647 3.724 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314804008 1071088574 /nfs/dbraw/zinc/08/85/74/1071088574.db2.gz XGDPDPZRFWCULH-RTBURBONSA-N 1 0 466.001 3.590 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(-c2ccccc2Cl)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314807309 1071096094 /nfs/dbraw/zinc/09/60/94/1071096094.db2.gz SPOOLHYNGXCARK-VGSWGCGISA-N 1 0 450.052 3.899 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2csc(C)n2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001313755402 1071095716 /nfs/dbraw/zinc/09/57/16/1071095716.db2.gz QUOIDKACQZZXTI-SFHVURJKSA-N 1 0 456.664 3.514 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccccn2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001313755491 1071095721 /nfs/dbraw/zinc/09/57/21/1071095721.db2.gz LYDYYWPRLANRAO-DEOSSOPVSA-N 1 0 458.614 3.635 20 0 JHADRO CCN(Cc1c[nH]c2ccccc12)c1nnc(C(=O)NC(C)C)n1CC[N@H+](C)C1CCCC1 ZINC001313757462 1071102532 /nfs/dbraw/zinc/10/25/32/1071102532.db2.gz IOMIMEKLNWSNAU-UHFFFAOYSA-N 1 0 451.619 3.799 20 0 JHADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc(-c2cccnc2)n1CCNC(=O)OC(C)(C)C ZINC001314811139 1071105208 /nfs/dbraw/zinc/10/52/08/1071105208.db2.gz KVYBUNJHVGLGTH-QFIPXVFZSA-N 1 0 491.640 3.823 20 0 JHADRO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(CC(C)(C)C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001313760966 1071108026 /nfs/dbraw/zinc/10/80/26/1071108026.db2.gz YMQZOADJWZXJEO-LJQANCHMSA-N 1 0 481.645 3.510 20 0 JHADRO CCN(CC1CC1)c1nnc(COc2ccc(Cl)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313763088 1071109804 /nfs/dbraw/zinc/10/98/04/1071109804.db2.gz HXRQLJHXEOAVDY-UHFFFAOYSA-N 1 0 461.054 3.773 20 0 JHADRO CN(C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CC=CCC2)C1)C(=O)OC(C)(C)C ZINC001314813457 1071114104 /nfs/dbraw/zinc/11/41/04/1071114104.db2.gz QNHCZKBNWCYLIZ-QFIPXVFZSA-N 1 0 498.647 3.963 20 0 JHADRO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314815226 1071120961 /nfs/dbraw/zinc/12/09/61/1071120961.db2.gz IJVUKKJVVZMRBM-BTYIYWSLSA-N 1 0 498.466 3.757 20 0 JHADRO CNC(=O)c1ccc(NC(=O)NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)c(C)c1 ZINC001310108979 1071123386 /nfs/dbraw/zinc/12/33/86/1071123386.db2.gz NSGWINWOKTVRAQ-BGYRXZFFSA-N 1 0 452.599 3.685 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001313773980 1071128735 /nfs/dbraw/zinc/12/87/35/1071128735.db2.gz ZCUVMWBCYCDCAQ-VXKWHMMOSA-N 1 0 454.619 3.637 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314818369 1071127956 /nfs/dbraw/zinc/12/79/56/1071127956.db2.gz CBIVPGGWQGYZLO-QHCPKHFHSA-N 1 0 480.078 3.871 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001313777586 1071136399 /nfs/dbraw/zinc/13/63/99/1071136399.db2.gz UKGQXDGPXVPWSW-OAQYLSRUSA-N 1 0 489.686 3.618 20 0 JHADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC001310126729 1071137822 /nfs/dbraw/zinc/13/78/22/1071137822.db2.gz AQYRWLRJHVWLAW-SFHVURJKSA-N 1 0 458.525 3.507 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(Cc2ccccc2OC)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313778383 1071139528 /nfs/dbraw/zinc/13/95/28/1071139528.db2.gz AQBBZWDQSIGAAQ-FUPPJEDESA-N 1 0 485.673 3.771 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001313778377 1071139563 /nfs/dbraw/zinc/13/95/63/1071139563.db2.gz APOJCXRBUQAUGN-HXOBKFHXSA-N 1 0 465.614 3.590 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(Cc2ccncc2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001314823144 1071143571 /nfs/dbraw/zinc/14/35/71/1071143571.db2.gz CDWGCSWGENRDQR-UHFFFAOYSA-N 1 0 459.520 3.964 20 0 JHADRO Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001310138685 1071147117 /nfs/dbraw/zinc/14/71/17/1071147117.db2.gz CKGIRSYEQRHMJW-UHFFFAOYSA-N 1 0 450.649 3.943 20 0 JHADRO CCN(C[C@@H]1COc2ccccc2O1)c1nnc(CC(C)(C)C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313784220 1071154763 /nfs/dbraw/zinc/15/47/63/1071154763.db2.gz CNNBYQBLWDFFIS-OAQYLSRUSA-N 1 0 485.673 3.768 20 0 JHADRO CN(CCc1ccc(Cl)cc1)c1nnc(C(=O)N2CCCC2)n1CC[N@H+](C)C1CCCC1 ZINC001314828761 1071156957 /nfs/dbraw/zinc/15/69/57/1071156957.db2.gz IMFJLSNIDJFFIL-UHFFFAOYSA-N 1 0 459.038 3.721 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)Nc3nc(-c4ccccc4)ns3)CC2)cc1 ZINC001310163577 1071170783 /nfs/dbraw/zinc/17/07/83/1071170783.db2.gz ORRAYHWIIKXZBS-UHFFFAOYSA-N 1 0 450.568 3.950 20 0 JHADRO CCN(CC1CCN(c2nnc(C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC001313788290 1071174413 /nfs/dbraw/zinc/17/44/13/1071174413.db2.gz RKGNTDYESSACCV-FQEVSTJZSA-N 1 0 460.623 3.956 20 0 JHADRO CCN(CC1CCN(c2nnc(-c3cnccn3)n2CC[N@H+](CC)C2CC2)CC1)C(=O)OC(C)(C)C ZINC001313789267 1071179071 /nfs/dbraw/zinc/17/90/71/1071179071.db2.gz OOWXLGFMUNQLGC-UHFFFAOYSA-N 1 0 498.676 3.693 20 0 JHADRO C[NH+](C)C1(CNC(=O)Nc2cc(Br)ccc2I)CCC1 ZINC001310184220 1071187039 /nfs/dbraw/zinc/18/70/39/1071187039.db2.gz ZOIPCHOUTQUUHT-UHFFFAOYSA-N 1 0 452.134 3.660 20 0 JHADRO Cc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(OCC(=O)N(C)C)c1 ZINC001310183001 1071189241 /nfs/dbraw/zinc/18/92/41/1071189241.db2.gz YNUWHXOZGUJXGF-AREMUKBSSA-N 1 0 450.583 3.592 20 0 JHADRO CCN(CCc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001313792983 1071189592 /nfs/dbraw/zinc/18/95/92/1071189592.db2.gz VRZGAVQZYLQCAF-MSOLQXFVSA-N 1 0 458.657 3.724 20 0 JHADRO CCN(CCc1cccs1)c1nnc(-c2cnccn2)n1CC1(SC)CC[NH+](C)CC1 ZINC001313792580 1071189697 /nfs/dbraw/zinc/18/96/97/1071189697.db2.gz NHXVOASXBJGLLM-UHFFFAOYSA-N 1 0 457.673 3.693 20 0 JHADRO CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC001310192402 1071197305 /nfs/dbraw/zinc/19/73/05/1071197305.db2.gz KJFQFXBENDQQMK-UHFFFAOYSA-N 1 0 450.649 3.823 20 0 JHADRO CCN(CCC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@@H+]1CC ZINC001313796074 1071195283 /nfs/dbraw/zinc/19/52/83/1071195283.db2.gz KYDJEPZHARKKNN-NHCUHLMSSA-N 1 0 476.666 3.697 20 0 JHADRO CN(CCCc1ccccn1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001314843407 1071195565 /nfs/dbraw/zinc/19/55/65/1071195565.db2.gz ZWSKIURHAAKKIR-JOCHJYFZSA-N 1 0 497.688 3.952 20 0 JHADRO C[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001310192921 1071198362 /nfs/dbraw/zinc/19/83/62/1071198362.db2.gz PWZNMGKBXYSRCZ-MJGOQNOKSA-N 1 0 450.649 3.679 20 0 JHADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2cc(OC)c(OC)cc2Br)cc1 ZINC001310193648 1071199741 /nfs/dbraw/zinc/19/97/41/1071199741.db2.gz XJJHHRKRTBCRKM-QGZVFWFLSA-N 1 0 452.349 3.899 20 0 JHADRO Cn1cc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCC[N@H+](C)Cc2ccccc2)cn1 ZINC001314845116 1071200356 /nfs/dbraw/zinc/20/03/56/1071200356.db2.gz LBUCZHYVKKBWOD-AREMUKBSSA-N 1 0 465.646 3.842 20 0 JHADRO C[N@H+](CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC001314848479 1071208599 /nfs/dbraw/zinc/20/85/99/1071208599.db2.gz GGYSHIBRHKJYAT-IBGZPJMESA-N 1 0 459.038 3.955 20 0 JHADRO CC[N@H+](CCn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)C(C)C ZINC001313801880 1071206439 /nfs/dbraw/zinc/20/64/39/1071206439.db2.gz KOLGMZUCTAJISG-UHFFFAOYSA-N 1 0 469.678 3.509 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@H](C)C1)C(C)C ZINC001313803348 1071210219 /nfs/dbraw/zinc/21/02/19/1071210219.db2.gz PAYRGUNILJDVFZ-FQEVSTJZSA-N 1 0 476.691 3.552 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCn1cccn1)C(C)C ZINC001313803489 1071211097 /nfs/dbraw/zinc/21/10/97/1071211097.db2.gz RGSJARLQENPYHS-UHFFFAOYSA-N 1 0 478.414 3.910 20 0 JHADRO CC[N@H+](CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C ZINC001313803381 1071211144 /nfs/dbraw/zinc/21/11/44/1071211144.db2.gz WKLIGSLRGMRJIY-ZLNRFVROSA-N 1 0 482.673 3.728 20 0 JHADRO CC[N@H+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)C(C)C ZINC001313803490 1071211370 /nfs/dbraw/zinc/21/13/70/1071211370.db2.gz YCPGFAFQXLZALK-FNZWTVRRSA-N 1 0 499.635 3.773 20 0 JHADRO COc1ccc(I)c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC001310214809 1071212537 /nfs/dbraw/zinc/21/25/37/1071212537.db2.gz UAZHBGJBQAYAGF-UHFFFAOYSA-N 1 0 459.353 3.957 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(=O)NC)C1)C(C)C ZINC001313803849 1071212534 /nfs/dbraw/zinc/21/25/34/1071212534.db2.gz WPNIOJWXIIAJOX-MRXNPFEDSA-N 1 0 495.441 3.539 20 0 JHADRO CC[N@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1)C(C)C ZINC001313804111 1071213473 /nfs/dbraw/zinc/21/34/73/1071213473.db2.gz AZZSPKIRUXQPIG-OAQYLSRUSA-N 1 0 494.644 3.953 20 0 JHADRO CC[N@H+](CCNC(=O)Nc1cc(I)ccc1Br)C(C)C ZINC001310254856 1071219480 /nfs/dbraw/zinc/21/94/80/1071219480.db2.gz HTZMINUHVXPVHQ-UHFFFAOYSA-N 1 0 454.150 3.906 20 0 JHADRO CC[N@H+](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CS(C)(=O)=O)C(C)C ZINC001313805221 1071218818 /nfs/dbraw/zinc/21/88/18/1071218818.db2.gz IKBMMCSGHXTFMA-GOSISDBHSA-N 1 0 481.732 3.875 20 0 JHADRO C[N@H+](CCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)C1CCCCC1 ZINC001314851057 1071219829 /nfs/dbraw/zinc/21/98/29/1071219829.db2.gz OYNPCHSFJOTUSV-FDDCHVKYSA-N 1 0 487.611 3.966 20 0 JHADRO C[N@H+](CCCn1c(CC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21)Cc1ccccc1 ZINC001314850959 1071219218 /nfs/dbraw/zinc/21/92/18/1071219218.db2.gz NUIMRNMASZEODY-VXKWHMMOSA-N 1 0 452.647 3.636 20 0 JHADRO COC(=O)COc1ccc([C@@H](C)NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC001310217650 1071214259 /nfs/dbraw/zinc/21/42/59/1071214259.db2.gz LCAHMBMSMSJTGX-GOSISDBHSA-N 1 0 457.596 3.712 20 0 JHADRO 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VGKWPAFEGCOUKF-JOCHJYFZSA-N 1 0 456.612 3.551 20 0 JHADRO C[C@@H]([NH2+]C1(CNC(=O)Nc2cccc(N3CCCNC3=O)c2)CCOCC1)c1ccccc1 ZINC001310375250 1071351090 /nfs/dbraw/zinc/35/10/90/1071351090.db2.gz PBIBROOJMBHZJD-LJQANCHMSA-N 1 0 451.571 3.628 20 0 JHADRO Cc1cc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC001310377818 1071352040 /nfs/dbraw/zinc/35/20/40/1071352040.db2.gz ZKGVNFRYTYOKMB-UHFFFAOYSA-N 1 0 450.509 3.831 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nccn2C(F)F)C[C@H]1C ZINC001313858530 1071359343 /nfs/dbraw/zinc/35/93/43/1071359343.db2.gz BLBYNGUFYUZYAD-CVEARBPZSA-N 1 0 475.544 3.521 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CC(F)(F)CO2)C[C@H]1C ZINC001313858528 1071359464 /nfs/dbraw/zinc/35/94/64/1071359464.db2.gz BKLSNTLGTWEBRP-RVKKMQEKSA-N 1 0 471.499 3.890 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001314918011 1071361122 /nfs/dbraw/zinc/36/11/22/1071361122.db2.gz SJONYINYTBRLRZ-QHCPKHFHSA-N 1 0 476.547 3.654 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(C)nc4ccccc43)n2CCCCCS(C)(=O)=O)C[C@@H]1C ZINC001313858953 1071362990 /nfs/dbraw/zinc/36/29/90/1071362990.db2.gz CVGOVUJEGNNRRV-SFTDATJTSA-N 1 0 498.697 3.936 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313859625 1071365209 /nfs/dbraw/zinc/36/52/09/1071365209.db2.gz HHXOHLYYOLXOGV-SJORKVTESA-N 1 0 495.466 3.540 20 0 JHADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccccc3Br)nnc2N2CC=C(C(C)(C)C)CC2)C1 ZINC001314924964 1071367184 /nfs/dbraw/zinc/36/71/84/1071367184.db2.gz YFPPSGKCCVLTRA-QHCPKHFHSA-N 1 0 474.447 3.957 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001314925036 1071368164 /nfs/dbraw/zinc/36/81/64/1071368164.db2.gz QZNBJCFOQZVKPR-WOJBJXKFSA-N 1 0 481.563 3.788 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1C(C)(C)C ZINC001314925369 1071368309 /nfs/dbraw/zinc/36/83/09/1071368309.db2.gz 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TVOAFKRHCOCRJY-IRXDYDNUSA-N 1 0 472.435 3.717 20 0 JHADRO CN(c1ccccc1NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)S(C)(=O)=O ZINC001310426139 1071384166 /nfs/dbraw/zinc/38/41/66/1071384166.db2.gz HWLFWWBOAQTVTN-FQEVSTJZSA-N 1 0 450.992 3.694 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2C[C@](C)(O)CC)C[C@H]1C ZINC001313864010 1071384840 /nfs/dbraw/zinc/38/48/40/1071384840.db2.gz FMUOXXRCDATFDM-LRAJWGHMSA-N 1 0 468.415 3.927 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2ccccc2)C[C@@H]1C ZINC001313864673 1071388171 /nfs/dbraw/zinc/38/81/71/1071388171.db2.gz VPOZQORNMKZTCD-MCEYFSPLSA-N 1 0 455.647 3.870 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@H]2C)C[C@H]1C ZINC001313865352 1071391853 /nfs/dbraw/zinc/39/18/53/1071391853.db2.gz AGHPXOMDNFCDCL-JFYQVNSESA-N 1 0 455.647 3.663 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314941686 1071394521 /nfs/dbraw/zinc/39/45/21/1071394521.db2.gz 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CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314988737 1071502026 /nfs/dbraw/zinc/50/20/26/1071502026.db2.gz MAGQJENSXGHJCF-CMKODMSKSA-N 1 0 490.599 3.629 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001313897526 1071502660 /nfs/dbraw/zinc/50/26/60/1071502660.db2.gz XUOUVYMWRZHDRK-UNMCSNQZSA-N 1 0 468.646 3.521 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC001313900050 1071508514 /nfs/dbraw/zinc/50/85/14/1071508514.db2.gz YTVWQUNVKMBTIH-QHCPKHFHSA-N 1 0 452.647 3.727 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](C)C1 ZINC001313898284 1071504815 /nfs/dbraw/zinc/50/48/15/1071504815.db2.gz PLEALDKTUDWHBJ-WIYYLYMNSA-N 1 0 459.038 3.972 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001313899263 1071507942 /nfs/dbraw/zinc/50/79/42/1071507942.db2.gz IKHFSQHTODGJOB-PLTNMMHCSA-N 1 0 457.669 3.789 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001314993109 1071509805 /nfs/dbraw/zinc/50/98/05/1071509805.db2.gz FQYGYIZDSFKURZ-DHIUTWEWSA-N 1 0 482.673 3.701 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001314993931 1071510460 /nfs/dbraw/zinc/51/04/60/1071510460.db2.gz JKICRYWSRIRJII-JOCHJYFZSA-N 1 0 482.673 3.701 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OC)c(OC)c1 ZINC001313901254 1071511031 /nfs/dbraw/zinc/51/10/31/1071511031.db2.gz DTUXLLHXXSCUSI-HXUWFJFHSA-N 1 0 450.587 3.786 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314994407 1071511611 /nfs/dbraw/zinc/51/16/11/1071511611.db2.gz NEIGONAOCCYCQX-VXKWHMMOSA-N 1 0 482.673 3.638 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314996633 1071514683 /nfs/dbraw/zinc/51/46/83/1071514683.db2.gz YYHYZACFLQJCIG-XJUOHMSHSA-N 1 0 466.674 3.974 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001313903343 1071515556 /nfs/dbraw/zinc/51/55/56/1071515556.db2.gz APOQWSKRDLMMEC-QUCCMNQESA-N 1 0 457.619 3.840 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCCCO)C1CC1 ZINC001313903365 1071515703 /nfs/dbraw/zinc/51/57/03/1071515703.db2.gz AXYSUBRKKABQGJ-GOSISDBHSA-N 1 0 465.440 3.651 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1Cl ZINC001313903672 1071515772 /nfs/dbraw/zinc/51/57/72/1071515772.db2.gz FIMPTNFXQUUUEH-IBGZPJMESA-N 1 0 475.037 3.557 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001313903875 1071516530 /nfs/dbraw/zinc/51/65/30/1071516530.db2.gz FITOXBFHMFWTIY-HSZRJFAPSA-N 1 0 470.637 3.696 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314997798 1071516931 /nfs/dbraw/zinc/51/69/31/1071516931.db2.gz YINJIIJFCYODMM-BHDDXSALSA-N 1 0 484.714 3.962 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001313904174 1071517156 /nfs/dbraw/zinc/51/71/56/1071517156.db2.gz PRLXSHPHOBSYNT-INIZCTEOSA-N 1 0 492.571 3.808 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001313905536 1071521525 /nfs/dbraw/zinc/52/15/25/1071521525.db2.gz MLRJFPQLUJAGIZ-HNNXBMFYSA-N 1 0 464.401 3.699 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1nc(CCOC)no1 ZINC001313905703 1071521959 /nfs/dbraw/zinc/52/19/59/1071521959.db2.gz QONPNUUMPIRBMH-IBGZPJMESA-N 1 0 474.009 3.681 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 ZINC001313905722 1071522092 /nfs/dbraw/zinc/52/20/92/1071522092.db2.gz QWFPYRFIMWGEOB-MLDBQTBOSA-N 1 0 459.610 3.818 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001313906167 1071523371 /nfs/dbraw/zinc/52/33/71/1071523371.db2.gz UOVPYMZUWCSDOT-JZXOWHBKSA-N 1 0 465.440 3.534 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001313907123 1071526515 /nfs/dbraw/zinc/52/65/15/1071526515.db2.gz YCXCUILXKFIPHR-YSTOQKLRSA-N 1 0 476.666 3.537 20 0 JHADRO CNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001315002554 1071527096 /nfs/dbraw/zinc/52/70/96/1071527096.db2.gz AULXPFWAZCWYMT-UHFFFAOYSA-N 1 0 496.700 3.991 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCNC(=O)C(C)C ZINC001313907435 1071527506 /nfs/dbraw/zinc/52/75/06/1071527506.db2.gz FJAHEMYJBBDWMC-FQEVSTJZSA-N 1 0 452.603 3.774 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313907513 1071528169 /nfs/dbraw/zinc/52/81/69/1071528169.db2.gz HBPZMKJCUVZDQE-MJGOQNOKSA-N 1 0 489.462 3.639 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001313909103 1071531935 /nfs/dbraw/zinc/53/19/35/1071531935.db2.gz MZOYVRYYWWQKEC-JOCHJYFZSA-N 1 0 468.646 3.699 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313910616 1071536505 /nfs/dbraw/zinc/53/65/05/1071536505.db2.gz XLYOQAGSZUAQTJ-WMZOPIPTSA-N 1 0 479.000 3.889 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313909876 1071534001 /nfs/dbraw/zinc/53/40/01/1071534001.db2.gz SXVLCZVZRBRJPY-JTHBVZDNSA-N 1 0 468.646 3.605 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313910222 1071535168 /nfs/dbraw/zinc/53/51/68/1071535168.db2.gz VXUKAJFRKVWOED-GOTSBHOMSA-N 1 0 497.688 3.974 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313910280 1071535308 /nfs/dbraw/zinc/53/53/08/1071535308.db2.gz FLHDWFAKAWLNSO-QHCPKHFHSA-N 1 0 470.637 3.577 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001313910454 1071535962 /nfs/dbraw/zinc/53/59/62/1071535962.db2.gz KIKXFLCSQMMCMJ-MRXNPFEDSA-N 1 0 450.513 3.536 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313911546 1071537590 /nfs/dbraw/zinc/53/75/90/1071537590.db2.gz CVJJHUHSYSTKHA-NLFFAJNJSA-N 1 0 457.619 3.745 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001313911140 1071537710 /nfs/dbraw/zinc/53/77/10/1071537710.db2.gz HZAMSLWLPROATK-QFIPXVFZSA-N 1 0 473.065 3.967 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912217 1071539511 /nfs/dbraw/zinc/53/95/11/1071539511.db2.gz MXCDWDDDNVUCTO-PWRODBHTSA-N 1 0 476.666 3.745 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912212 1071539543 /nfs/dbraw/zinc/53/95/43/1071539543.db2.gz MXCDWDDDNVUCTO-NJDAHSKKSA-N 1 0 476.666 3.745 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001315020830 1071541728 /nfs/dbraw/zinc/54/17/28/1071541728.db2.gz QSWKFRIXLMNRGG-UHFFFAOYSA-N 1 0 459.038 3.683 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](OC)C1 ZINC001313913751 1071544944 /nfs/dbraw/zinc/54/49/44/1071544944.db2.gz LSLWLIMLEIWQMA-JSXRDJHFSA-N 1 0 476.666 3.538 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC001313914151 1071546368 /nfs/dbraw/zinc/54/63/68/1071546368.db2.gz SCUDSNOPHRRXCK-VXKWHMMOSA-N 1 0 474.719 3.922 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001315021485 1071542643 /nfs/dbraw/zinc/54/26/43/1071542643.db2.gz OGNBXCVEFPIMQF-QFIPXVFZSA-N 1 0 482.032 3.649 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001313913464 1071543431 /nfs/dbraw/zinc/54/34/31/1071543431.db2.gz MTPCYOSYRCHDAG-BGYRXZFFSA-N 1 0 488.080 3.810 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313914697 1071548667 /nfs/dbraw/zinc/54/86/67/1071548667.db2.gz SYJNPTQFHARSET-WIYYLYMNSA-N 1 0 482.570 3.955 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001315027165 1071553448 /nfs/dbraw/zinc/55/34/48/1071553448.db2.gz QEHLDRAECAPAHF-DFBJGRDBSA-N 1 0 472.703 3.793 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001315025202 1071549274 /nfs/dbraw/zinc/54/92/74/1071549274.db2.gz DAYUGQKPSKEFTR-QFIPXVFZSA-N 1 0 484.645 3.725 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](C(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313915810 1071551343 /nfs/dbraw/zinc/55/13/43/1071551343.db2.gz SWSSBFDKWODIFJ-PWHSHALESA-N 1 0 455.594 3.675 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001315027670 1071554488 /nfs/dbraw/zinc/55/44/88/1071554488.db2.gz WWOPCSOITRVHBJ-DEOSSOPVSA-N 1 0 496.700 3.545 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](c1ccco1)[NH+](C)C ZINC001315029515 1071558362 /nfs/dbraw/zinc/55/83/62/1071558362.db2.gz WOPBDARFRUQEPD-PKOBYXMFSA-N 1 0 484.670 3.990 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001313923204 1071566147 /nfs/dbraw/zinc/56/61/47/1071566147.db2.gz IXWVQDNCCYMNRM-WWPVKYPJSA-N 1 0 481.689 3.798 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC2CC(F)C2)CC1 ZINC001313923001 1071566238 /nfs/dbraw/zinc/56/62/38/1071566238.db2.gz ZERPIVXCHZHHQU-KREBGBLKSA-N 1 0 476.616 3.768 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)[C@@H](C)c2ccco2)CC1 ZINC001313923918 1071568927 /nfs/dbraw/zinc/56/89/27/1071568927.db2.gz AVADEBNFYVMBNJ-PMACEKPBSA-N 1 0 452.603 3.770 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C)cc3)CC2)CC1 ZINC001313926119 1071575680 /nfs/dbraw/zinc/57/56/80/1071575680.db2.gz CMGKGYHNQGEWEC-HSZRJFAPSA-N 1 0 467.706 3.528 20 0 JHADRO CNC(=O)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001315042323 1071574256 /nfs/dbraw/zinc/57/42/56/1071574256.db2.gz GWSMZIXSSZLEAI-MRXNPFEDSA-N 1 0 495.853 3.562 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313925764 1071574715 /nfs/dbraw/zinc/57/47/15/1071574715.db2.gz AGMFSZNTIMNMBB-YADHBBJMSA-N 1 0 477.657 3.881 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313925730 1071574768 /nfs/dbraw/zinc/57/47/68/1071574768.db2.gz BMIJPVNWESIISA-VWNXMTODSA-N 1 0 498.716 3.687 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313925762 1071574913 /nfs/dbraw/zinc/57/49/13/1071574913.db2.gz AGMFSZNTIMNMBB-FGZHOGPDSA-N 1 0 477.657 3.881 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313926558 1071576722 /nfs/dbraw/zinc/57/67/22/1071576722.db2.gz DICBRDGYKYOVAY-SBHAEUEKSA-N 1 0 476.616 3.674 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313926522 1071576827 /nfs/dbraw/zinc/57/68/27/1071576827.db2.gz DGYASEVZZROVHD-ATIYNZHBSA-N 1 0 454.663 3.818 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313926985 1071578683 /nfs/dbraw/zinc/57/86/83/1071578683.db2.gz GTEVZOBKITXMSR-RJGXRXQPSA-N 1 0 454.663 3.592 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315055095 1071580089 /nfs/dbraw/zinc/58/00/89/1071580089.db2.gz WVXRSUIMZYCUGU-GOSISDBHSA-N 1 0 474.053 3.570 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001315056765 1071582089 /nfs/dbraw/zinc/58/20/89/1071582089.db2.gz RPJWUIPMHKOHFR-IBGZPJMESA-N 1 0 487.718 3.712 20 0 JHADRO CNC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001315061050 1071583436 /nfs/dbraw/zinc/58/34/36/1071583436.db2.gz IQGOYOAXULARDI-QHCPKHFHSA-N 1 0 499.729 3.851 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001313928922 1071585000 /nfs/dbraw/zinc/58/50/00/1071585000.db2.gz DSWJVMAPCWYBNH-SJLPKXTDSA-N 1 0 480.991 3.827 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313929013 1071585084 /nfs/dbraw/zinc/58/50/84/1071585084.db2.gz WZSSOVUIWGVIBK-WBADGQHESA-N 1 0 492.778 3.801 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC(F)(F)C2)C[C@@H]1C ZINC001313928920 1071585292 /nfs/dbraw/zinc/58/52/92/1071585292.db2.gz DSWJVMAPCWYBNH-FUHWJXTLSA-N 1 0 480.991 3.827 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313929336 1071586801 /nfs/dbraw/zinc/58/68/01/1071586801.db2.gz YZXTZTPODCCSEF-WOJBJXKFSA-N 1 0 491.080 3.540 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(-c3ccsc3)nc2)C[C@H]1C ZINC001313929737 1071587453 /nfs/dbraw/zinc/58/74/53/1071587453.db2.gz IRCMTVRUYOJQGR-MOPGFXCFSA-N 1 0 470.643 3.704 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313930080 1071587853 /nfs/dbraw/zinc/58/78/53/1071587853.db2.gz VAGBLAMIPFKTLN-OFNKIYASSA-N 1 0 474.694 3.612 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCCOC2)C[C@H]1C ZINC001313931817 1071593197 /nfs/dbraw/zinc/59/31/97/1071593197.db2.gz IWOJOHPRZBULQA-MSOLQXFVSA-N 1 0 462.436 3.973 20 0 JHADRO COC(=O)[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001315089900 1071593521 /nfs/dbraw/zinc/59/35/21/1071593521.db2.gz QXIOBNYTOUIKKW-SJORKVTESA-N 1 0 461.994 3.555 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCSC(C)C)C[C@H]1C ZINC001313933607 1071598523 /nfs/dbraw/zinc/59/85/23/1071598523.db2.gz LQQZOPZDCDEVDY-QGZVFWFLSA-N 1 0 463.648 3.643 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccnc(OC(F)F)c2)C[C@H]1C ZINC001313933723 1071599277 /nfs/dbraw/zinc/59/92/77/1071599277.db2.gz NCAYDAQFENJRON-MRXNPFEDSA-N 1 0 488.539 3.537 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[C@H]2CCOC2)C[C@@H]1C ZINC001313934907 1071603645 /nfs/dbraw/zinc/60/36/45/1071603645.db2.gz DCNSXEYYTHBFEZ-IRXDYDNUSA-N 1 0 478.435 3.673 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCOc2ncccc2F)C[C@@H]1C ZINC001313934351 1071602327 /nfs/dbraw/zinc/60/23/27/1071602327.db2.gz UIMFNPPPHJCSNZ-AWEZNQCLSA-N 1 0 495.422 3.913 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313934593 1071603034 /nfs/dbraw/zinc/60/30/34/1071603034.db2.gz SBSDXJKPUPWEAS-HNNXBMFYSA-N 1 0 476.494 3.571 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](OC)C(C)(C)C)C[C@@H]1C ZINC001313935436 1071604892 /nfs/dbraw/zinc/60/48/92/1071604892.db2.gz WIFOHOYYOLFEMH-YJBOKZPZSA-N 1 0 467.456 3.638 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2CCCCO2)C[C@@H]1C ZINC001313935226 1071605318 /nfs/dbraw/zinc/60/53/18/1071605318.db2.gz GAXOAZFFIPYWHY-WMZOPIPTSA-N 1 0 478.435 3.816 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCCOC)C[C@H]1C ZINC001313936527 1071608466 /nfs/dbraw/zinc/60/84/66/1071608466.db2.gz PPLOAVGSIHSPTG-MRXNPFEDSA-N 1 0 466.424 3.673 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001313936602 1071609125 /nfs/dbraw/zinc/60/91/25/1071609125.db2.gz GKRBIXMMRFBUOF-RBBKRZOGSA-N 1 0 483.661 3.675 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H](C)OC)C[C@H]1C ZINC001313940598 1071615632 /nfs/dbraw/zinc/61/56/32/1071615632.db2.gz OPRSIMKYWRRCHQ-MOPGFXCFSA-N 1 0 450.027 3.817 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313939485 1071613390 /nfs/dbraw/zinc/61/33/90/1071613390.db2.gz BEOABMNIJWZWDD-UNMCSNQZSA-N 1 0 478.607 3.868 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001313941053 1071616343 /nfs/dbraw/zinc/61/63/43/1071616343.db2.gz RWXITXLSWPPRII-SFHVURJKSA-N 1 0 478.483 3.981 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCCC(C)C)C[C@H]1C ZINC001313942109 1071619596 /nfs/dbraw/zinc/61/95/96/1071619596.db2.gz DIBPEEDZLWFJIS-NJYVYQBISA-N 1 0 478.682 3.642 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001313942641 1071620769 /nfs/dbraw/zinc/62/07/69/1071620769.db2.gz JOABDOGGDOEKID-FYYLOGMGSA-N 1 0 498.716 3.688 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(-c4cccc(OC)c4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)C1=O ZINC001313945904 1071627319 /nfs/dbraw/zinc/62/73/19/1071627319.db2.gz XJYVQRNEVMAKQR-QHCPKHFHSA-N 1 0 497.688 3.656 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CSCCS2)C[C@@H]1C ZINC001313943631 1071623301 /nfs/dbraw/zinc/62/33/01/1071623301.db2.gz UJTZSUYNCROEDX-PZJWPPBQSA-N 1 0 461.701 3.853 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)C)n3C[C@H](C)Cc3ccc(OC)cc3)C2)CC1 ZINC001313944274 1071624538 /nfs/dbraw/zinc/62/45/38/1071624538.db2.gz ZHIAUWLCDZHEJG-FYYLOGMGSA-N 1 0 454.663 3.505 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC(O)(CC)CC)C2)CC1 ZINC001313944791 1071624949 /nfs/dbraw/zinc/62/49/49/1071624949.db2.gz GNCTZIHCCPHOCM-BJKOFHAPSA-N 1 0 498.716 3.802 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC001313946253 1071628019 /nfs/dbraw/zinc/62/80/19/1071628019.db2.gz AYSPSIHCOUTIOV-NRFANRHFSA-N 1 0 464.580 3.760 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC001313946254 1071628453 /nfs/dbraw/zinc/62/84/53/1071628453.db2.gz AYSPSIHCOUTIOV-OAQYLSRUSA-N 1 0 464.580 3.760 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(OC)C2CC2)C[C@@H]1C ZINC001313947420 1071631668 /nfs/dbraw/zinc/63/16/68/1071631668.db2.gz HARVFOLXZNAHPN-UUOWRZLLSA-N 1 0 459.660 3.925 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3CCCCSC)C2)CC1 ZINC001313947924 1071632900 /nfs/dbraw/zinc/63/29/00/1071632900.db2.gz DIHJSGNPSFAXMC-LJQANCHMSA-N 1 0 478.657 3.507 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4F)n3CCSCC(C)C)C2)CC1 ZINC001313949203 1071635759 /nfs/dbraw/zinc/63/57/59/1071635759.db2.gz KMAORILTWOZAJC-JOCHJYFZSA-N 1 0 474.694 3.613 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3cc(Br)cs3)C2)CC1 ZINC001313949204 1071635911 /nfs/dbraw/zinc/63/59/11/1071635911.db2.gz WLUWPPOHOBRBOG-SFHVURJKSA-N 1 0 481.508 3.565 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313950426 1071638073 /nfs/dbraw/zinc/63/80/73/1071638073.db2.gz PGWOFQXUAWMFNX-FNAHDJPLSA-N 1 0 472.653 3.923 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313950381 1071638251 /nfs/dbraw/zinc/63/82/51/1071638251.db2.gz PAXYZYZGWUKHHM-FHWLQOOXSA-N 1 0 492.510 3.792 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313950736 1071638799 /nfs/dbraw/zinc/63/87/99/1071638799.db2.gz WQKCEOSCXPUVLM-LJQANCHMSA-N 1 0 468.568 3.580 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001313950789 1071639966 /nfs/dbraw/zinc/63/99/66/1071639966.db2.gz QRKYKACPGQENSL-FQEVSTJZSA-N 1 0 480.661 3.670 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001313951032 1071640427 /nfs/dbraw/zinc/64/04/27/1071640427.db2.gz CTROGPHNQMOZGT-QFIPXVFZSA-N 1 0 486.730 3.768 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001313951280 1071641079 /nfs/dbraw/zinc/64/10/79/1071641079.db2.gz SMSRYCFDNIEOCA-QFIPXVFZSA-N 1 0 488.124 3.651 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@H]2C)CC1 ZINC001313951220 1071641216 /nfs/dbraw/zinc/64/12/16/1071641216.db2.gz RMRWJTSLOVLBOR-HBMCJLEFSA-N 1 0 490.693 3.773 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001313951417 1071642416 /nfs/dbraw/zinc/64/24/16/1071642416.db2.gz TYICZGNMZPLALO-IBGZPJMESA-N 1 0 492.590 3.567 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313951830 1071643803 /nfs/dbraw/zinc/64/38/03/1071643803.db2.gz KYSBKLUXWDQKKR-QZTJIDSGSA-N 1 0 478.483 3.546 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C)CC2)CC1 ZINC001313952182 1071644378 /nfs/dbraw/zinc/64/43/78/1071644378.db2.gz OIIYSEPIRAQGSH-OAQYLSRUSA-N 1 0 458.626 3.506 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCCO[C@@H](c4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313952524 1071645866 /nfs/dbraw/zinc/64/58/66/1071645866.db2.gz RJRQOGDGHNKMQM-ISKFKSNPSA-N 1 0 468.690 3.817 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001313953045 1071647138 /nfs/dbraw/zinc/64/71/38/1071647138.db2.gz FOXSZWKZENZOQA-PMACEKPBSA-N 1 0 461.054 3.630 20 0 JHADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001313953343 1071648329 /nfs/dbraw/zinc/64/83/29/1071648329.db2.gz XQIRKLBRZQQOBO-XMMPIXPASA-N 1 0 454.663 3.867 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)C2CCC2)CC1 ZINC001313953367 1071648452 /nfs/dbraw/zinc/64/84/52/1071648452.db2.gz YCMASCWHJWKJGA-LJQANCHMSA-N 1 0 461.054 3.773 20 0 JHADRO CCN1CC[NH+](CCCCn2c(COc3cccc(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313953387 1071648464 /nfs/dbraw/zinc/64/84/64/1071648464.db2.gz CWRGRKCNODDRAI-QHCPKHFHSA-N 1 0 484.689 3.587 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cn(C)c4ccccc34)nnc2N(C)CC(C)C)CC1 ZINC001313953576 1071648952 /nfs/dbraw/zinc/64/89/52/1071648952.db2.gz IMSFPJJLUNUPJE-UHFFFAOYSA-N 1 0 451.663 3.947 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313954253 1071651191 /nfs/dbraw/zinc/65/11/91/1071651191.db2.gz MNBIMWHTIGEXQH-TUNNFDKTSA-N 1 0 490.643 3.921 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001313953733 1071649511 /nfs/dbraw/zinc/64/95/11/1071649511.db2.gz JAOHXGZSSDFVFY-QHCPKHFHSA-N 1 0 476.616 3.852 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccccc2)CC1 ZINC001313954257 1071651219 /nfs/dbraw/zinc/65/12/19/1071651219.db2.gz MNLJKNQGIPLDDE-WPFOTENUSA-N 1 0 454.663 3.991 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2CCc3c(F)ccc(F)c3C2)CC1 ZINC001313954058 1071650011 /nfs/dbraw/zinc/65/00/11/1071650011.db2.gz MRGKKDLOHDYVQU-UHFFFAOYSA-N 1 0 460.617 3.735 20 0 JHADRO CCN1CC[NH+](CCCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313953930 1071650056 /nfs/dbraw/zinc/65/00/56/1071650056.db2.gz LOHYJRFGVZHMFE-DNQXCXABSA-N 1 0 468.690 3.984 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccccc2)CC1 ZINC001313954256 1071651301 /nfs/dbraw/zinc/65/13/01/1071651301.db2.gz MNLJKNQGIPLDDE-WMTXJRDZSA-N 1 0 454.663 3.991 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2ccoc2)CC1 ZINC001313954188 1071650610 /nfs/dbraw/zinc/65/06/10/1071650610.db2.gz AVVJUEYMINPKSB-NRFANRHFSA-N 1 0 450.631 3.680 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001313955846 1071656682 /nfs/dbraw/zinc/65/66/82/1071656682.db2.gz IVADBBOSSQYSPO-HBMCJLEFSA-N 1 0 474.644 3.903 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2C[C@H](C)O[C@@H](c3ccsc3)C2)CC1 ZINC001313954891 1071653727 /nfs/dbraw/zinc/65/37/27/1071653727.db2.gz WJTAAMBFJUOFQU-JTHBVZDNSA-N 1 0 474.719 3.922 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001313955013 1071654233 /nfs/dbraw/zinc/65/42/33/1071654233.db2.gz RQBRSBVLJOOUFJ-JOCHJYFZSA-N 1 0 468.690 3.885 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313955276 1071654742 /nfs/dbraw/zinc/65/47/42/1071654742.db2.gz QXGZVVADKOPXMI-IRFCIJBXSA-N 1 0 476.616 3.531 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313955165 1071654971 /nfs/dbraw/zinc/65/49/71/1071654971.db2.gz FVZVQVHKUGHKKN-DNQXCXABSA-N 1 0 498.716 3.751 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001313955338 1071655370 /nfs/dbraw/zinc/65/53/70/1071655370.db2.gz RPLSROAAEVRBDR-WOJBJXKFSA-N 1 0 455.676 3.816 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(CC)(CC)C2)CC1 ZINC001313955405 1071655438 /nfs/dbraw/zinc/65/54/38/1071655438.db2.gz GYEDEJGTXFPCHJ-FQEVSTJZSA-N 1 0 473.735 3.924 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313956089 1071657301 /nfs/dbraw/zinc/65/73/01/1071657301.db2.gz KGAWKBASUNHLJX-REWPJTCUSA-N 1 0 486.730 3.689 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313957246 1071659409 /nfs/dbraw/zinc/65/94/09/1071659409.db2.gz PYRZAQPIAZCPJO-FCHUYYIVSA-N 1 0 490.643 3.921 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCC[NH+]1CCN(CC)CC1 ZINC001313957088 1071659512 /nfs/dbraw/zinc/65/95/12/1071659512.db2.gz CPVCPOHYXZMTDC-UHFFFAOYSA-N 1 0 451.594 3.533 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001313957602 1071660772 /nfs/dbraw/zinc/66/07/72/1071660772.db2.gz QTYMAPOXWGOVGA-BDTNDASRSA-N 1 0 456.654 3.764 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313957922 1071661899 /nfs/dbraw/zinc/66/18/99/1071661899.db2.gz SBVSDERGOUVAIU-VXNXHJTFSA-N 1 0 482.717 3.828 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313957953 1071662361 /nfs/dbraw/zinc/66/23/61/1071662361.db2.gz SRTWGGXVOZBXKH-HFZDXXHNSA-N 1 0 488.746 3.845 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001313958840 1071665124 /nfs/dbraw/zinc/66/51/24/1071665124.db2.gz YIHQRABJXGPRMC-NHCUHLMSSA-N 1 0 467.687 3.796 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccccc3F)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313958938 1071665168 /nfs/dbraw/zinc/66/51/68/1071665168.db2.gz XWTCLRYVLUHKFC-RUZDIDTESA-N 1 0 458.626 3.507 20 0 JHADRO CC[NH+]1CCN(CCCn2c(N3CC[C@H](Oc4ccccc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001313959270 1071666168 /nfs/dbraw/zinc/66/61/68/1071666168.db2.gz OJHWULQSTMEITR-FQEVSTJZSA-N 1 0 475.081 3.914 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001313959754 1071667330 /nfs/dbraw/zinc/66/73/30/1071667330.db2.gz CFTGGSRAVUJRAJ-SFHVURJKSA-N 1 0 480.629 3.516 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCOC(C)(C)C2)CC1 ZINC001313959729 1071667381 /nfs/dbraw/zinc/66/73/81/1071667381.db2.gz CBFOUAULOCYYRX-QHCPKHFHSA-N 1 0 484.689 3.678 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C)C2)CC1 ZINC001313960327 1071669937 /nfs/dbraw/zinc/66/99/37/1071669937.db2.gz IURYOEAQAFYHNL-LEWJYISDSA-N 1 0 458.626 3.821 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001313961015 1071671740 /nfs/dbraw/zinc/67/17/40/1071671740.db2.gz OQMULJHKKDNAOI-PKTZIBPZSA-N 1 0 486.730 3.832 20 0 JHADRO CCn1nc(-c2nnc(N(C)Cc3ccoc3C)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313961734 1071673369 /nfs/dbraw/zinc/67/33/69/1071673369.db2.gz YPLLIOOOVCBEOR-UHFFFAOYSA-N 1 0 463.586 3.553 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001313963189 1071677147 /nfs/dbraw/zinc/67/71/47/1071677147.db2.gz KSEUMFGCXOSKFI-FGZHOGPDSA-N 1 0 452.647 3.657 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001313963211 1071677152 /nfs/dbraw/zinc/67/71/52/1071677152.db2.gz LJIDBIKEWCPGGW-SFHVURJKSA-N 1 0 489.064 3.908 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313967741 1071689720 /nfs/dbraw/zinc/68/97/20/1071689720.db2.gz QJUXYKOCLBHXFY-UHFFFAOYSA-N 1 0 476.069 3.714 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001313968399 1071692176 /nfs/dbraw/zinc/69/21/76/1071692176.db2.gz ZXLIQGSYJODCMB-IBGZPJMESA-N 1 0 496.059 3.867 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001313969615 1071694022 /nfs/dbraw/zinc/69/40/22/1071694022.db2.gz GCEVETFZYSEZCX-OAQYLSRUSA-N 1 0 460.711 3.977 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001313970511 1071695050 /nfs/dbraw/zinc/69/50/50/1071695050.db2.gz UTBYCMBTTUNCMF-SZPZYZBQSA-N 1 0 466.674 3.597 20 0 JHADRO CCNC(=O)C1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CCC1 ZINC001313975527 1071705962 /nfs/dbraw/zinc/70/59/62/1071705962.db2.gz RQKFBCGNLHIDRT-RBUKOAKNSA-N 1 0 489.064 3.908 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313996931 1071733935 /nfs/dbraw/zinc/73/39/35/1071733935.db2.gz QKXHVOXUAFPSKD-SZPZYZBQSA-N 1 0 481.689 3.863 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001314004715 1071741243 /nfs/dbraw/zinc/74/12/43/1071741243.db2.gz MNQQLCJKSBSZDZ-NRFANRHFSA-N 1 0 487.718 3.707 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001314014924 1071755752 /nfs/dbraw/zinc/75/57/52/1071755752.db2.gz ZYNMBIBDYYCDAL-FQEVSTJZSA-N 1 0 454.619 3.795 20 0 JHADRO CCOC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001314017543 1071763283 /nfs/dbraw/zinc/76/32/83/1071763283.db2.gz RJBWDCFLZUKVIR-UTKZUKDTSA-N 1 0 491.036 3.690 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314017919 1071764298 /nfs/dbraw/zinc/76/42/98/1071764298.db2.gz IXVXEYQRVVCZQI-HXUWFJFHSA-N 1 0 460.667 3.800 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001314023064 1071777586 /nfs/dbraw/zinc/77/75/86/1071777586.db2.gz HRFSRZDUJKFKFG-UHFFFAOYSA-N 1 0 484.645 3.709 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001314024633 1071782910 /nfs/dbraw/zinc/78/29/10/1071782910.db2.gz HDNARKDWJGZEDO-NRFANRHFSA-N 1 0 468.646 3.578 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001314025089 1071784899 /nfs/dbraw/zinc/78/48/99/1071784899.db2.gz WFEPFLAQDODHDS-FQEVSTJZSA-N 1 0 472.659 3.642 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccccc2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001314026257 1071787896 /nfs/dbraw/zinc/78/78/96/1071787896.db2.gz LTJHUBURHVVNOY-LEWJYISDSA-N 1 0 456.635 3.945 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001314027384 1071792346 /nfs/dbraw/zinc/79/23/46/1071792346.db2.gz FYFSMTOTEIUZOQ-OAQYLSRUSA-N 1 0 472.634 3.645 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001314035207 1071821592 /nfs/dbraw/zinc/82/15/92/1071821592.db2.gz WBJCZQVCPXXMFM-QUCCMNQESA-N 1 0 458.607 3.683 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001314035217 1071821674 /nfs/dbraw/zinc/82/16/74/1071821674.db2.gz WGLMNUATDVFZMH-XLIONFOSSA-N 1 0 461.010 3.655 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)[NH+](CC)CC)C1 ZINC001314035246 1071821697 /nfs/dbraw/zinc/82/16/97/1071821697.db2.gz WUZIAYSULQNRRU-DENIHFKCSA-N 1 0 456.635 3.953 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001314037162 1071830299 /nfs/dbraw/zinc/83/02/99/1071830299.db2.gz DPLUFPGYFJQDFA-GGAORHGYSA-N 1 0 477.613 3.666 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(C3CCC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001314040121 1071840204 /nfs/dbraw/zinc/84/02/04/1071840204.db2.gz MLUOLCVRFFPNFO-FCHUYYIVSA-N 1 0 454.619 3.872 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001314044783 1071858073 /nfs/dbraw/zinc/85/80/73/1071858073.db2.gz VVLFWVXZZNGAOY-DHIUTWEWSA-N 1 0 484.645 3.735 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccccc3CC)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314045132 1071859278 /nfs/dbraw/zinc/85/92/78/1071859278.db2.gz YRFNONGIGUPLQH-JTHBVZDNSA-N 1 0 498.672 3.866 20 0 JHADRO CCO[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC001314057794 1071887522 /nfs/dbraw/zinc/88/75/22/1071887522.db2.gz SPXBPORGMCYSMT-QFIPXVFZSA-N 1 0 483.661 3.831 20 0 JHADRO CCO[C@@H](CCn1c(-c2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1)C(C)C ZINC001314066884 1071914187 /nfs/dbraw/zinc/91/41/87/1071914187.db2.gz QHWMIFALNPYRQC-QHCPKHFHSA-N 1 0 459.610 3.836 20 0 JHADRO CCO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC001314076555 1071934055 /nfs/dbraw/zinc/93/40/55/1071934055.db2.gz YICYBPVBCHEKEI-JOCHJYFZSA-N 1 0 470.662 3.752 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)CC(C)C)n2CC2CC[NH+](Cc3cccs3)CC2)CCOC1 ZINC001314079554 1071939768 /nfs/dbraw/zinc/93/97/68/1071939768.db2.gz CJILJMQOEIEFBM-DEOSSOPVSA-N 1 0 461.676 3.996 20 0 JHADRO CCO[C@]1(c2nnc(N(C)c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCCC2)CCOC1 ZINC001314077597 1071936454 /nfs/dbraw/zinc/93/64/54/1071936454.db2.gz AMFDKMOYBJIXLM-RUZDIDTESA-N 1 0 473.618 3.590 20 0 JHADRO CCO[C@]1(c2nnc(N(C)c3ccc(C)cc3)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001314078701 1071938173 /nfs/dbraw/zinc/93/81/73/1071938173.db2.gz HMDLNKSFIUOFQK-XMMPIXPASA-N 1 0 459.660 3.834 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3ccc(C)o3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CCOC1 ZINC001314082218 1071945668 /nfs/dbraw/zinc/94/56/68/1071945668.db2.gz DIBXLBNXOOASDV-DHLKQENFSA-N 1 0 471.577 3.910 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3ccccc3OC)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCOC1 ZINC001314082893 1071947258 /nfs/dbraw/zinc/94/72/58/1071947258.db2.gz QVPOWDFFENEYRE-HFZDXXHNSA-N 1 0 471.646 3.696 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3ccccc3F)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCOC1 ZINC001314083733 1071949991 /nfs/dbraw/zinc/94/99/91/1071949991.db2.gz SNWAWCANESBKGD-CJFMBICVSA-N 1 0 459.610 3.826 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@H]3CCSC3)n2CC2CC[NH+](CCC(C)C)CC2)CCOC1 ZINC001314084426 1071950318 /nfs/dbraw/zinc/95/03/18/1071950318.db2.gz SJEKHMUBNXUCGI-XUZZJYLKSA-N 1 0 465.708 3.630 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001314084313 1071950932 /nfs/dbraw/zinc/95/09/32/1071950932.db2.gz WTTZTAROLKZOCI-CJFMBICVSA-N 1 0 492.064 3.721 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001314084315 1071951528 /nfs/dbraw/zinc/95/15/28/1071951528.db2.gz WTTZTAROLKZOCI-NBGIEHNGSA-N 1 0 492.064 3.721 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC001314085597 1071954596 /nfs/dbraw/zinc/95/45/96/1071954596.db2.gz PRARWHCHALGJAH-OSWQYVSFSA-N 1 0 477.600 3.965 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@@H]3C)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001314093934 1071971881 /nfs/dbraw/zinc/97/18/81/1071971881.db2.gz INYQRRXYGXTTSI-SAHWJRBASA-N 1 0 466.001 3.690 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CC(C)(C)c2cccs2)CCOC1 ZINC001314093905 1071971891 /nfs/dbraw/zinc/97/18/91/1071971891.db2.gz IAUBMOKNBLLSAF-AXHZCLLHSA-N 1 0 461.676 3.888 20 0 JHADRO CCO[C@]1(c2nnc(N(CC)Cc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)CCOC1 ZINC001314098557 1071979374 /nfs/dbraw/zinc/97/93/74/1071979374.db2.gz AARDVVIUXVJRJS-RUZDIDTESA-N 1 0 459.610 3.972 20 0 JHADRO CCO[C@]1(c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[N@H+](C)C2CCCCC2)CCOC1 ZINC001314099862 1071983269 /nfs/dbraw/zinc/98/32/69/1071983269.db2.gz UYPSEFYROWGMLY-NBGIEHNGSA-N 1 0 463.667 3.589 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H](CC)O[C@@H](C)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)CCOC1 ZINC001314104258 1071992051 /nfs/dbraw/zinc/99/20/51/1071992051.db2.gz SEQUVOAAAFZUCI-YEEURNOCSA-N 1 0 485.673 3.822 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CCOC1 ZINC001314104161 1071992068 /nfs/dbraw/zinc/99/20/68/1071992068.db2.gz ROQTUHFHGVPCOQ-YVXPOVKHSA-N 1 0 477.650 3.702 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[C@H](C[NH+](CC)CC)C3)n2Cc2ccc(Cl)s2)CCOC1 ZINC001314108953 1072001698 /nfs/dbraw/zinc/00/16/98/1072001698.db2.gz ADHQJXXNSPVUKB-VGOFRKELSA-N 1 0 468.067 3.862 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC2(OC)CCCCC2)CCOC1 ZINC001314109851 1072003366 /nfs/dbraw/zinc/00/33/66/1072003366.db2.gz DGYSRDAGFKIRHB-SANMLTNESA-N 1 0 477.694 3.836 20 0 JHADRO 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CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2(CCOC)CCCCC2)CCOC1 ZINC001314124445 1072029984 /nfs/dbraw/zinc/02/99/84/1072029984.db2.gz MPBNZWVZPLTPEA-SANMLTNESA-N 1 0 477.694 3.838 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CCCOC(F)(F)F)CCOC1 ZINC001314133174 1072045253 /nfs/dbraw/zinc/04/52/53/1072045253.db2.gz AGIGJEUQSVKUBE-QFIPXVFZSA-N 1 0 489.583 3.559 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ccc(OC(F)(F)F)cc2)CCOC1 ZINC001314134263 1072046255 /nfs/dbraw/zinc/04/62/55/1072046255.db2.gz HRSMNYPXBVRNTQ-HSZRJFAPSA-N 1 0 497.562 3.798 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2ccsc2Br)CCOC1 ZINC001314138268 1072049363 /nfs/dbraw/zinc/04/93/63/1072049363.db2.gz XHRMUUAPWZBVQJ-NRFANRHFSA-N 1 0 498.491 3.581 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C)Sc2ccccc2)CCOC1 ZINC001314138016 1072049437 /nfs/dbraw/zinc/04/94/37/1072049437.db2.gz QWKBJMGKYYQCSP-HYBUGGRVSA-N 1 0 459.660 3.641 20 0 JHADRO CCO[C@]1(c2nnc(N3CCSC[C@@H]3C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCOC1 ZINC001314142162 1072056909 /nfs/dbraw/zinc/05/69/09/1072056909.db2.gz DVQRPGQFBYOAQM-IBPRQYQWSA-N 1 0 465.708 3.630 20 0 JHADRO CCO[C@]1(c2nnc(N3CCSC(CC)(CC)C3)n2C[C@H](c2ccco2)[NH+](C)C)CCOC1 ZINC001314143955 1072059579 /nfs/dbraw/zinc/05/95/79/1072059579.db2.gz LZNBQOXLPUULCD-NTKDMRAZSA-N 1 0 477.675 3.938 20 0 JHADRO CCc1ccc(-c2nnc(N(CC)[C@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001305924173 1068219862 /nfs/dbraw/zinc/21/98/62/1068219862.db2.gz GXCMDQSGEZMSAK-GOTSBHOMSA-N 1 0 473.687 3.641 20 0 JHADRO CCc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001305925487 1068220943 /nfs/dbraw/zinc/22/09/43/1068220943.db2.gz DKQDARYFCTUERM-LAUBAEHRSA-N 1 0 452.628 3.539 20 0 JHADRO CCc1ccc(-c2nnc(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)n2C[C@@](C)(O)CC)cc1 ZINC001305926246 1068222219 /nfs/dbraw/zinc/22/22/19/1068222219.db2.gz PSIKHYQBUKAPHJ-LLGBQNBKSA-N 1 0 479.673 3.921 20 0 JHADRO 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CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001306320295 1068748967 /nfs/dbraw/zinc/74/89/67/1068748967.db2.gz SWSVGHHVMLOWDU-NRFANRHFSA-N 1 0 488.080 3.953 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306320843 1068749725 /nfs/dbraw/zinc/74/97/25/1068749725.db2.gz XTJWEXAMPDPYMQ-FUHWJXTLSA-N 1 0 463.001 3.704 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N(C)[C@H](C)CC(N)=O)nnc1C1(c2ccccc2)CCC1 ZINC001306321055 1068751225 /nfs/dbraw/zinc/75/12/25/1068751225.db2.gz ASQWZKVVBZSUSK-IFMALSPDSA-N 1 0 452.647 3.713 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC001306321191 1068751680 /nfs/dbraw/zinc/75/16/80/1068751680.db2.gz ZUAZTDVTYNHJOI-KMDXXIMOSA-N 1 0 496.700 3.886 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(OC)cc1OC ZINC001306321305 1068751784 /nfs/dbraw/zinc/75/17/84/1068751784.db2.gz DLWSARNTNCDXLK-LEWJYISDSA-N 1 0 457.619 3.700 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001306322573 1068753761 /nfs/dbraw/zinc/75/37/61/1068753761.db2.gz GSGRXNGMZOTQFV-RCZVLFRGSA-N 1 0 495.716 3.906 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306322647 1068754661 /nfs/dbraw/zinc/75/46/61/1068754661.db2.gz HXZCIQDSDWOQJV-NJDAHSKKSA-N 1 0 476.666 3.840 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)CC1 ZINC001306324023 1068758377 /nfs/dbraw/zinc/75/83/77/1068758377.db2.gz NZPORPZOGCFKEM-GOSISDBHSA-N 1 0 495.455 3.755 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001306324909 1068760575 /nfs/dbraw/zinc/76/05/75/1068760575.db2.gz QZDJRTLSTPTRFM-PZJWPPBQSA-N 1 0 481.563 3.910 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001306325316 1068762550 /nfs/dbraw/zinc/76/25/50/1068762550.db2.gz SOIPQKMMVRUBQU-BJKOFHAPSA-N 1 0 482.673 3.783 20 0 JHADRO 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CC[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001306352375 1068788433 /nfs/dbraw/zinc/78/84/33/1068788433.db2.gz QBOUNDGZMDMYAP-YPAWHYETSA-N 1 0 459.660 3.642 20 0 JHADRO CC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001306359010 1068794561 /nfs/dbraw/zinc/79/45/61/1068794561.db2.gz OPOSNVKJQZKHRU-PCCBWWKXSA-N 1 0 453.635 3.920 20 0 JHADRO CCC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001306366192 1068801925 /nfs/dbraw/zinc/80/19/25/1068801925.db2.gz DDBDRMHSFNJLJA-UHFFFAOYSA-N 1 0 457.619 3.700 20 0 JHADRO CC[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCC[N@H+](C)C(C)C)C1 ZINC001306370638 1068804672 /nfs/dbraw/zinc/80/46/72/1068804672.db2.gz FBKLSMFQKHPZQJ-LJQANCHMSA-N 1 0 451.619 3.642 20 0 JHADRO CC[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC[N@H+](CC)CCC(F)(F)F)C1 ZINC001306370958 1068804937 /nfs/dbraw/zinc/80/49/37/1068804937.db2.gz HSSSBVSKPABUPP-OAHLLOKOSA-N 1 0 456.513 3.516 20 0 JHADRO 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CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)[NH+](CC)CC)C[C@H](C)O1 ZINC001306383557 1068815922 /nfs/dbraw/zinc/81/59/22/1068815922.db2.gz DHXXTYCCHSYBAR-DFQSSKMNSA-N 1 0 462.664 3.565 20 0 JHADRO CCC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001306384284 1068817185 /nfs/dbraw/zinc/81/71/85/1068817185.db2.gz ULGIBXFGPVEXOZ-NHCUHLMSSA-N 1 0 457.667 3.654 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC[N@@H+]1CCOC ZINC001306386125 1068820013 /nfs/dbraw/zinc/82/00/13/1068820013.db2.gz FDRMMBMTJUUDOW-WOJBJXKFSA-N 1 0 480.698 3.768 20 0 JHADRO CC[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001306391029 1068830689 /nfs/dbraw/zinc/83/06/89/1068830689.db2.gz VMRUCRRUVXYQGY-UGKGYDQZSA-N 1 0 489.064 3.741 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](CC)C2CC2)C[C@@H](C)O1 ZINC001306397048 1068846107 /nfs/dbraw/zinc/84/61/07/1068846107.db2.gz LIVPQQLIBTVYHS-PBHICJAKSA-N 1 0 451.413 3.524 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC001306397846 1068849102 /nfs/dbraw/zinc/84/91/02/1068849102.db2.gz NXEPUYMRORMRJQ-OUMCCJGNSA-N 1 0 463.667 3.587 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[C@H]2CCOC2)CC[N@@H+]1CCOC ZINC001306398738 1068851385 /nfs/dbraw/zinc/85/13/85/1068851385.db2.gz SQSORNKXWFGLRU-RXVVDRJESA-N 1 0 492.462 3.681 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[NH+]2CCCCCC2)C[C@@H](C)O1 ZINC001306400337 1068858368 /nfs/dbraw/zinc/85/83/68/1068858368.db2.gz HXNJHYJDJVQIRY-TZIWHRDSSA-N 1 0 457.619 3.842 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2C[C@H]2C)CC[N@@H+]1CCOC ZINC001306400819 1068859123 /nfs/dbraw/zinc/85/91/23/1068859123.db2.gz KIWLRGGIRHNIHK-FGTMMUONSA-N 1 0 492.462 3.919 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCc2cccs2)CC[N@@H+]1CCOC ZINC001306401754 1068862650 /nfs/dbraw/zinc/86/26/50/1068862650.db2.gz OAEMYKNBSSAPAZ-FQEVSTJZSA-N 1 0 455.628 3.805 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC[N@H+](C)CCOC)C[C@@H](C)O1 ZINC001306402510 1068864014 /nfs/dbraw/zinc/86/40/14/1068864014.db2.gz BHBPXYJPZISBMT-QUCCMNQESA-N 1 0 494.478 3.988 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C)[NH+](C)C)C[C@@H](C)O1 ZINC001306402645 1068864781 /nfs/dbraw/zinc/86/47/81/1068864781.db2.gz OQURFRLPPLJJMN-IIAWOOMASA-N 1 0 454.388 3.801 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C)[NH+](C)C)C[C@H](C)O1 ZINC001306402646 1068865211 /nfs/dbraw/zinc/86/52/11/1068865211.db2.gz OQURFRLPPLJJMN-IJEWVQPXSA-N 1 0 454.388 3.801 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001306404634 1068870434 /nfs/dbraw/zinc/87/04/34/1068870434.db2.gz WXUXJWSULMNROD-IRFCIJBXSA-N 1 0 487.645 3.707 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC=CO2)CC[N@@H+]1CCOC ZINC001306404903 1068871244 /nfs/dbraw/zinc/87/12/44/1068871244.db2.gz BAPKTYDKYBJEMN-SFTDATJTSA-N 1 0 490.446 3.947 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCCC2)C[C@@H](C)O1 ZINC001306405076 1068871840 /nfs/dbraw/zinc/87/18/40/1068871840.db2.gz YETQUEAKHOLFNY-UYAOXDASSA-N 1 0 457.619 3.840 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](OC)C(C)C)CC[N@@H+]1CCOC ZINC001306406639 1068877798 /nfs/dbraw/zinc/87/77/98/1068877798.db2.gz MYWMMDXSVHRJSJ-NHCUHLMSSA-N 1 0 494.478 3.926 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](OC)C2CC2)CC[N@@H+]1CCOC ZINC001306406810 1068878812 /nfs/dbraw/zinc/87/88/12/1068878812.db2.gz PCKJSIOSFPQHIB-DLBZAZTESA-N 1 0 498.491 3.741 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H]2C[C@H](F)C2)CC[N@@H+]1CCOC ZINC001306408167 1068884922 /nfs/dbraw/zinc/88/49/22/1068884922.db2.gz HSSPYSFQJCNRPI-WDSOQIARSA-N 1 0 450.990 3.679 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H](C)O1 ZINC001306410506 1068892257 /nfs/dbraw/zinc/89/22/57/1068892257.db2.gz DRYCVBDJKXNEKB-RTBURBONSA-N 1 0 462.038 3.838 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([NH+](C)C)CCOCC2)C[C@H](C)O1 ZINC001306411472 1068894550 /nfs/dbraw/zinc/89/45/50/1068894550.db2.gz UEARMRLGCXBJJY-PKOBYXMFSA-N 1 0 478.037 3.722 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCOc2ncccc2Cl)CC[N@@H+]1CCOC ZINC001306416272 1068905393 /nfs/dbraw/zinc/90/53/93/1068905393.db2.gz YRXWENFQTJHTNK-HXUWFJFHSA-N 1 0 471.005 3.620 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306417153 1068907156 /nfs/dbraw/zinc/90/71/56/1068907156.db2.gz WBEOTUWQNSSTCH-KCZVDYSFSA-N 1 0 471.646 3.946 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H](C)O1 ZINC001306417506 1068907930 /nfs/dbraw/zinc/90/79/30/1068907930.db2.gz XITJLQBDZMWWQN-CTNGQTDRSA-N 1 0 471.646 3.847 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306419610 1068911239 /nfs/dbraw/zinc/91/12/39/1068911239.db2.gz PHFRUFPBRSJWJS-IRFCIJBXSA-N 1 0 459.610 3.835 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001306421045 1068913756 /nfs/dbraw/zinc/91/37/56/1068913756.db2.gz BGNXRTNGHKRWHA-IVAOSVALSA-N 1 0 456.635 3.540 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+](CC)CC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306421775 1068914910 /nfs/dbraw/zinc/91/49/10/1068914910.db2.gz DZRARFFWIBRVGZ-UXHICEINSA-N 1 0 486.665 3.597 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+](CC)CC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306421774 1068914923 /nfs/dbraw/zinc/91/49/23/1068914923.db2.gz DZRARFFWIBRVGZ-PMACEKPBSA-N 1 0 486.665 3.597 20 0 JHADRO C[C@H](CNC(=O)c1csc(I)c1Br)[NH+]1CCCCC1 ZINC001306423336 1068916663 /nfs/dbraw/zinc/91/66/63/1068916663.db2.gz XNUGPEAQBZRCOJ-SECBINFHSA-N 1 0 457.175 3.719 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2c(Cl)cccc2OC)CC[N@@H+]1CCOC ZINC001306425144 1068919240 /nfs/dbraw/zinc/91/92/40/1068919240.db2.gz SMUAEJNUPSMYIG-IBGZPJMESA-N 1 0 485.032 3.906 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)ccc2OC)CC[N@@H+]1CCOC ZINC001306426935 1068922122 /nfs/dbraw/zinc/92/21/22/1068922122.db2.gz DIRIAHTURGKTLR-IFMALSPDSA-N 1 0 478.037 3.777 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2cc(C)cc(C)c2)CC[N@@H+]1CCOC ZINC001306427993 1068923933 /nfs/dbraw/zinc/92/39/33/1068923933.db2.gz IFULITPYWAWQGM-DNQXCXABSA-N 1 0 455.647 3.579 20 0 JHADRO CC[C@@H]1CN(c2nnc(C3CCC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC001306429180 1068926770 /nfs/dbraw/zinc/92/67/70/1068926770.db2.gz OPFIHFGNFIEDTK-QPPBQGQZSA-N 1 0 462.038 3.654 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCC(C)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306429902 1068928514 /nfs/dbraw/zinc/92/85/14/1068928514.db2.gz AYHMWLXIPNJKAS-BHIFYINESA-N 1 0 490.693 3.644 20 0 JHADRO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCc2ccc(C)c(OC)c2)CC[N@@H+]1CCOC ZINC001306432006 1068932705 /nfs/dbraw/zinc/93/27/05/1068932705.db2.gz BODZOSJVLUTROU-JOCHJYFZSA-N 1 0 457.663 3.973 20 0 JHADRO CC[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)[NH+](C)C)CCS1 ZINC001306432276 1068932802 /nfs/dbraw/zinc/93/28/02/1068932802.db2.gz MUKVFGULPULRML-MJGOQNOKSA-N 1 0 466.696 3.675 20 0 JHADRO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)C[C@H]1N1CCOCC1 ZINC001306432352 1068933187 /nfs/dbraw/zinc/93/31/87/1068933187.db2.gz DNMOMYINHAEPJJ-LOSJGSFVSA-N 1 0 482.717 3.936 20 0 JHADRO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)C[C@@H]1N1CCOCC1 ZINC001306432350 1068933434 /nfs/dbraw/zinc/93/34/34/1068933434.db2.gz DNMOMYINHAEPJJ-DQEYMECFSA-N 1 0 482.717 3.936 20 0 JHADRO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC[N@@H+]1CCOC ZINC001306433946 1068936882 /nfs/dbraw/zinc/93/68/82/1068936882.db2.gz OAWVPEVKMBYAQV-HSZRJFAPSA-N 1 0 499.704 3.992 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1N1CCOCC1 ZINC001306434863 1068937938 /nfs/dbraw/zinc/93/79/38/1068937938.db2.gz AWHNKXXJBFLUQS-BKULYWANSA-N 1 0 489.108 3.800 20 0 JHADRO CC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)SC)CC[N@@H+]1CCOC ZINC001306437829 1068942780 /nfs/dbraw/zinc/94/27/80/1068942780.db2.gz JRUHLWQQFZMUCV-XLIONFOSSA-N 1 0 452.068 3.821 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306438471 1068943326 /nfs/dbraw/zinc/94/33/26/1068943326.db2.gz HSUJSBCOAPLVTN-ADYITMSISA-N 1 0 473.637 3.759 20 0 JHADRO CC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCc2scnc2C)CC[N@@H+]1CCOC ZINC001306439349 1068945326 /nfs/dbraw/zinc/94/53/26/1068945326.db2.gz KMKNPVURMQGXPJ-FQEVSTJZSA-N 1 0 472.634 3.563 20 0 JHADRO CC[C@H]1CN(c2nnc(Cc3ccccc3C)n2CC(F)(F)Br)CC[N@@H+]1CCOC ZINC001306440828 1068948806 /nfs/dbraw/zinc/94/88/06/1068948806.db2.gz UAKLZHHCGSYREN-SFHVURJKSA-N 1 0 486.405 3.712 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(C)(F)F)cc2)CC[N@@H+]1CCOC ZINC001306440816 1068948870 /nfs/dbraw/zinc/94/88/70/1068948870.db2.gz HHDAYNQRXHDMBF-HSZRJFAPSA-N 1 0 484.595 3.971 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCc2cccs2)CC[N@@H+]1CCOC ZINC001306442714 1068951922 /nfs/dbraw/zinc/95/19/22/1068951922.db2.gz XEZDYDVWXRXOQB-HXUWFJFHSA-N 1 0 457.619 3.859 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC001306443398 1068954032 /nfs/dbraw/zinc/95/40/32/1068954032.db2.gz CYZBQOZXSXHEFJ-XMSQKQJNSA-N 1 0 454.644 3.770 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2c(F)cccc2SC)CC[N@@H+]1CCOC ZINC001306443691 1068954521 /nfs/dbraw/zinc/95/45/21/1068954521.db2.gz WDTBZHVHXCMIBR-HXUWFJFHSA-N 1 0 484.645 3.720 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCC[C@H]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306444685 1068956992 /nfs/dbraw/zinc/95/69/92/1068956992.db2.gz TZBGSJNWOJILOV-YMPZKCBVSA-N 1 0 497.688 3.878 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C/C=C\c2ccccc2)CC[N@@H+]1CCOC ZINC001306444886 1068957321 /nfs/dbraw/zinc/95/73/21/1068957321.db2.gz WQFIBUXEXNNCMW-JXOZOUPFSA-N 1 0 466.655 3.894 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCC[C@@H]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306444684 1068957344 /nfs/dbraw/zinc/95/73/44/1068957344.db2.gz TZBGSJNWOJILOV-WWNPGLIZSA-N 1 0 497.688 3.878 20 0 JHADRO CC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccoc2)CC[N@@H+]1CCOC ZINC001306450220 1068968629 /nfs/dbraw/zinc/96/86/29/1068968629.db2.gz IYWRLDCGAZCHKV-FQEVSTJZSA-N 1 0 459.978 3.699 20 0 JHADRO CC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCC[NH+]2CCC(C)CC2)C[C@@H](C)O1 ZINC001306454366 1068975905 /nfs/dbraw/zinc/97/59/05/1068975905.db2.gz ZLCVMAXXWWNPER-NHCUHLMSSA-N 1 0 488.702 3.785 20 0 JHADRO Cc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC001310497478 1068982187 /nfs/dbraw/zinc/98/21/87/1068982187.db2.gz BMPLGMHNTBCIFD-UHFFFAOYSA-N 1 0 459.900 3.773 20 0 JHADRO CC[NH+](CC)CCOCCNC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC001310499213 1068983864 /nfs/dbraw/zinc/98/38/64/1068983864.db2.gz YEYIGXOQUJTNRS-UHFFFAOYSA-N 1 0 452.397 3.638 20 0 JHADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC001310510791 1068992778 /nfs/dbraw/zinc/99/27/78/1068992778.db2.gz IBFLIMFVIJRLAG-UHFFFAOYSA-N 1 0 459.554 3.858 20 0 JHADRO CC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001306460546 1068995026 /nfs/dbraw/zinc/99/50/26/1068995026.db2.gz YPJUWNZYXNVRBX-XUZZJYLKSA-N 1 0 471.646 3.991 20 0 JHADRO CC/C=C/Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001306466259 1069004861 /nfs/dbraw/zinc/00/48/61/1069004861.db2.gz QQYGTDZONVSPJK-HXRGIAOBSA-N 1 0 451.619 3.840 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001306467084 1069006839 /nfs/dbraw/zinc/00/68/39/1069006839.db2.gz UIOYJEXQUNKVMW-AKHDSKFASA-N 1 0 459.557 3.970 20 0 JHADRO CC/C=C/Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306467976 1069008697 /nfs/dbraw/zinc/00/86/97/1069008697.db2.gz PLVNQTHWOMTMSS-ONEGZZNKSA-N 1 0 460.420 3.975 20 0 JHADRO CC/C=C/Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001306469343 1069011904 /nfs/dbraw/zinc/01/19/04/1069011904.db2.gz BFHBMGKGORYHCU-VOTSOKGWSA-N 1 0 469.630 3.867 20 0 JHADRO COC(=O)c1cc(NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc(Br)c1F ZINC001310553293 1069013625 /nfs/dbraw/zinc/01/36/25/1069013625.db2.gz LKHDPWKOCICKEV-GFCCVEGCSA-N 1 0 451.296 3.512 20 0 JHADRO COCCS(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC001310556115 1069015384 /nfs/dbraw/zinc/01/53/84/1069015384.db2.gz RKXHGBQCJQIDPH-QFIPXVFZSA-N 1 0 459.612 3.529 20 0 JHADRO CC(=O)OCCCc1cccc(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC001310574937 1069026734 /nfs/dbraw/zinc/02/67/34/1069026734.db2.gz DQNIIRLPCXSWLG-SFHVURJKSA-N 1 0 456.562 3.956 20 0 JHADRO CC/C=C\Cn1c(CSc2ccccc2OC)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001306492529 1069031605 /nfs/dbraw/zinc/03/16/05/1069031605.db2.gz YEYWGOCUFZUKNN-YVMONPNESA-N 1 0 481.670 3.991 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306498247 1069048864 /nfs/dbraw/zinc/04/88/64/1069048864.db2.gz MRXOZBDFUOXEFM-GMAHTHKFSA-N 1 0 482.673 3.959 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306498246 1069048971 /nfs/dbraw/zinc/04/89/71/1069048971.db2.gz MRXOZBDFUOXEFM-GGAORHGYSA-N 1 0 482.673 3.959 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306498248 1069049070 /nfs/dbraw/zinc/04/90/70/1069049070.db2.gz MRXOZBDFUOXEFM-JTHBVZDNSA-N 1 0 482.673 3.959 20 0 JHADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC001310621663 1069063861 /nfs/dbraw/zinc/06/38/61/1069063861.db2.gz QOWXPXHVFDCMIT-NRFANRHFSA-N 1 0 455.452 3.915 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC[N@H+](C)C(C)C)C1 ZINC001306501447 1069064671 /nfs/dbraw/zinc/06/46/71/1069064671.db2.gz VUMXYYMIBORDQX-OAQYLSRUSA-N 1 0 478.645 3.561 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001306501850 1069067188 /nfs/dbraw/zinc/06/71/88/1069067188.db2.gz YCFFPMLHSZCXGA-VQTJNVASSA-N 1 0 490.599 3.916 20 0 JHADRO Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)NCCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001310627189 1069069093 /nfs/dbraw/zinc/06/90/93/1069069093.db2.gz OYGAKXUMTUYKKF-UHFFFAOYSA-N 1 0 452.990 3.950 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc([C@H](C)CC)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001306505584 1069083339 /nfs/dbraw/zinc/08/33/39/1069083339.db2.gz MLQSXBMGAANWQK-LJQANCHMSA-N 1 0 462.683 3.566 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001306509383 1069098595 /nfs/dbraw/zinc/09/85/95/1069098595.db2.gz LZKCXLYKRVLEMA-UHFFFAOYSA-N 1 0 456.635 3.854 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001306512957 1069110120 /nfs/dbraw/zinc/11/01/20/1069110120.db2.gz RCQZHXLVIAALAR-VWLOTQADSA-N 1 0 489.668 3.760 20 0 JHADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)Nc3cc([C@H]4CCCO4)nn3C)cc2)C[C@H]1C ZINC001310687002 1069111477 /nfs/dbraw/zinc/11/14/77/1069111477.db2.gz YGEYAUFFTJKICY-DNVFCKCGSA-N 1 0 455.603 3.602 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001306513460 1069112444 /nfs/dbraw/zinc/11/24/44/1069112444.db2.gz XXJDCYDZIPISMM-QFIPXVFZSA-N 1 0 481.670 3.513 20 0 JHADRO Cc1nc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)sc1Cc1ccc(F)c(F)c1F ZINC001310736009 1069142147 /nfs/dbraw/zinc/14/21/47/1069142147.db2.gz FBJKPOZTIHMIOG-GFCCVEGCSA-N 1 0 456.534 3.769 20 0 JHADRO Cc1nc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)sc1Cc1c(F)cccc1F ZINC001310741493 1069144845 /nfs/dbraw/zinc/14/48/45/1069144845.db2.gz SULHVSRBSPOCSY-UHFFFAOYSA-N 1 0 450.555 3.897 20 0 JHADRO Cc1nc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)sc1Cc1cccc(Cl)c1F ZINC001310742625 1069145701 /nfs/dbraw/zinc/14/57/01/1069145701.db2.gz ZEPSTZAKYXGRCD-AWEZNQCLSA-N 1 0 454.015 3.840 20 0 JHADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCN(Cc3cscn3)CC2)CC1 ZINC001310745010 1069147593 /nfs/dbraw/zinc/14/75/93/1069147593.db2.gz DCTLGDIPIYQQFZ-UHFFFAOYSA-N 1 0 450.008 3.619 20 0 JHADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001310746172 1069148116 /nfs/dbraw/zinc/14/81/16/1069148116.db2.gz RQTIPAXCPYNETI-UHFFFAOYSA-N 1 0 451.976 3.538 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306527086 1069157146 /nfs/dbraw/zinc/15/71/46/1069157146.db2.gz CZVLEUWTWCXGGW-WIOPSUGQSA-N 1 0 475.081 3.754 20 0 JHADRO CCC[C@@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306530386 1069169442 /nfs/dbraw/zinc/16/94/42/1069169442.db2.gz WORJQTNQWBYPDS-WXVAWEFUSA-N 1 0 485.673 3.887 20 0 JHADRO CCC[C@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001306531378 1069172366 /nfs/dbraw/zinc/17/23/66/1069172366.db2.gz ZMOWRLYASXPAOL-FNZWTVRRSA-N 1 0 489.636 3.657 20 0 JHADRO C[NH+](C)CCn1nccc1NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001310816684 1069175972 /nfs/dbraw/zinc/17/59/72/1069175972.db2.gz RLRGMYFPFJWLNL-QFIPXVFZSA-N 1 0 455.946 3.780 20 0 JHADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2cc(F)c(F)cc2N2CCCCC2)c1 ZINC001310825060 1069179868 /nfs/dbraw/zinc/17/98/68/1069179868.db2.gz MYMAIBPZOYZFPS-UHFFFAOYSA-N 1 0 459.541 3.568 20 0 JHADRO CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)N3CCC34CC[NH+](C)CC4)c2)c1 ZINC001310832733 1069184454 /nfs/dbraw/zinc/18/44/54/1069184454.db2.gz PBSFCSGVKHBMTH-UHFFFAOYSA-N 1 0 450.539 3.818 20 0 JHADRO Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC001310839203 1069186933 /nfs/dbraw/zinc/18/69/33/1069186933.db2.gz FJCMUPCWOLFUML-IBGZPJMESA-N 1 0 454.468 3.564 20 0 JHADRO Cc1c(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cccc1S(=O)(=O)N(C)C ZINC001310866614 1069199355 /nfs/dbraw/zinc/19/93/55/1069199355.db2.gz MZTPLRHXOOQSQL-QFIPXVFZSA-N 1 0 458.628 3.840 20 0 JHADRO CCC[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@](C)(CC)C1 ZINC001306545302 1069199910 /nfs/dbraw/zinc/19/99/10/1069199910.db2.gz AUQIAOWICTZYFF-SVBPBHIXSA-N 1 0 468.690 3.820 20 0 JHADRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)CCO1 ZINC001310878245 1069205161 /nfs/dbraw/zinc/20/51/61/1069205161.db2.gz XGYZKQYXFFHSCQ-INIZCTEOSA-N 1 0 457.522 3.722 20 0 JHADRO CC1(C)CCc2nc(NC(=O)NCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)sc2C1 ZINC001310890732 1069211807 /nfs/dbraw/zinc/21/18/07/1069211807.db2.gz RWNCICYWAKNVNK-GOSISDBHSA-N 1 0 455.628 3.677 20 0 JHADRO CCC[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001306550407 1069213272 /nfs/dbraw/zinc/21/32/72/1069213272.db2.gz SKRYSHCQJCXLSS-RLWLMLJZSA-N 1 0 455.647 3.761 20 0 JHADRO COC(=O)[C@H]1CCc2sc(NC(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)nc2C1 ZINC001310905051 1069216947 /nfs/dbraw/zinc/21/69/47/1069216947.db2.gz STSIZFPHUDMIJS-OALUTQOASA-N 1 0 456.612 3.845 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001306556565 1069224638 /nfs/dbraw/zinc/22/46/38/1069224638.db2.gz TWKXTXIZQRUPDV-VWNXMTODSA-N 1 0 482.673 3.678 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1CC1 ZINC001310935864 1069226863 /nfs/dbraw/zinc/22/68/63/1069226863.db2.gz IJTPVZUAXPQEBA-QZTJIDSGSA-N 1 0 458.525 3.652 20 0 JHADRO Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)nn1C ZINC001310942016 1069229642 /nfs/dbraw/zinc/22/96/42/1069229642.db2.gz ISJGUQCTEZMVKX-HOTGVXAUSA-N 1 0 450.628 3.631 20 0 JHADRO CC(C)C[C@H](CNC(=O)c1cn(C)nc1I)[NH2+][C@@H](C)c1ccccc1 ZINC001306561878 1069231146 /nfs/dbraw/zinc/23/11/46/1069231146.db2.gz VYFKBWLSOHLOMP-GOEBONIOSA-N 1 0 454.356 3.520 20 0 JHADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2)n1 ZINC001310948363 1069231716 /nfs/dbraw/zinc/23/17/16/1069231716.db2.gz GFUGFYMHKYBBDM-UHFFFAOYSA-N 1 0 452.990 3.807 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001306567186 1069234612 /nfs/dbraw/zinc/23/46/12/1069234612.db2.gz PIZXJBQRLAVWBA-WOJBJXKFSA-N 1 0 461.614 3.997 20 0 JHADRO CCC[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001306570000 1069237442 /nfs/dbraw/zinc/23/74/42/1069237442.db2.gz VVQSQAFUWFGFBS-NBGIEHNGSA-N 1 0 456.635 3.907 20 0 JHADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2ccc(I)cc2F)cc1 ZINC001310977417 1069238019 /nfs/dbraw/zinc/23/80/19/1069238019.db2.gz ANALAFCPRMCTRJ-KRWDZBQOSA-N 1 0 457.287 3.863 20 0 JHADRO O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001310978773 1069238572 /nfs/dbraw/zinc/23/85/72/1069238572.db2.gz ZFAQECCQHSNPQX-IAGOWNOFSA-N 1 0 457.987 3.863 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001306578795 1069243874 /nfs/dbraw/zinc/24/38/74/1069243874.db2.gz WBQBWCSCRIAORI-SFTDATJTSA-N 1 0 495.672 3.657 20 0 JHADRO CCC[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001306580698 1069245603 /nfs/dbraw/zinc/24/56/03/1069245603.db2.gz LTVFABXUAMYMAY-NZQKXSOJSA-N 1 0 455.647 3.802 20 0 JHADRO CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2cccc(S(=O)(=O)c3ccccc3)c2)CC1 ZINC001311036496 1069252776 /nfs/dbraw/zinc/25/27/76/1069252776.db2.gz GMLXFEINSRYSRR-UHFFFAOYSA-N 1 0 457.596 3.628 20 0 JHADRO C[C@H](CNC(=O)Nc1csc(-c2ccc(Br)cc2)n1)C[NH+]1CCN(C)CC1 ZINC001311040570 1069255350 /nfs/dbraw/zinc/25/53/50/1069255350.db2.gz NNEXMHIAXUOKLC-CQSZACIVSA-N 1 0 452.422 3.578 20 0 JHADRO O=C(Nc1csc(-c2ccc(Br)cc2)n1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001311041589 1069255408 /nfs/dbraw/zinc/25/54/08/1069255408.db2.gz ZHTJVMREQCRFHJ-CVEARBPZSA-N 1 0 451.390 3.636 20 0 JHADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)Nc1cc(Cl)c(Br)cc1F ZINC001311040917 1069255522 /nfs/dbraw/zinc/25/55/22/1069255522.db2.gz QOUOLVDGZFGKAW-CQSZACIVSA-N 1 0 456.743 3.782 20 0 JHADRO O=C(Nc1cccc(-c2nnsc2Cl)c1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001311041669 1069256396 /nfs/dbraw/zinc/25/63/96/1069256396.db2.gz FYZSVPLBLHQKSA-IEBWSBKVSA-N 1 0 457.987 3.863 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 ZINC001311062254 1069261904 /nfs/dbraw/zinc/26/19/04/1069261904.db2.gz CVCHMWNGCIFIJL-CQSZACIVSA-N 1 0 458.422 3.555 20 0 JHADRO COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC001311085158 1069268440 /nfs/dbraw/zinc/26/84/40/1069268440.db2.gz XGHKOQPSYLBQBG-OLKYXYMISA-N 1 0 456.631 3.764 20 0 JHADRO CCOC(=O)c1ccn(-c2ccc(NC(=O)NCC[N@H+](CC)CCC(F)(F)F)cc2F)n1 ZINC001311094885 1069272067 /nfs/dbraw/zinc/27/20/67/1069272067.db2.gz WRNSTPNBBNVMDJ-UHFFFAOYSA-N 1 0 459.444 3.584 20 0 JHADRO Cc1cc(NC(=O)c2cccnc2I)ccc1OCC[NH+]1CCCC1 ZINC001306607038 1069282200 /nfs/dbraw/zinc/28/22/00/1069282200.db2.gz MXWKWEYBUVWMJW-UHFFFAOYSA-N 1 0 451.308 3.722 20 0 JHADRO CCCc1nc(C)c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[NH+](C(C)C)CC2)o1 ZINC001306610254 1069287023 /nfs/dbraw/zinc/28/70/23/1069287023.db2.gz WKJYUXNTJCOLEN-UHFFFAOYSA-N 1 0 479.629 3.975 20 0 JHADRO CCOC(=O)[C@@H](CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)Cc1ccccc1 ZINC001311163812 1069287019 /nfs/dbraw/zinc/28/70/19/1069287019.db2.gz QHLHNYJNIHDJPJ-QPPBQGQZSA-N 1 0 450.583 3.515 20 0 JHADRO CCCc1nc(C)c(Cn2c(Cc3ccccc3OC)nnc2N2CC[NH+](C(C)C)CC2)o1 ZINC001306611480 1069288922 /nfs/dbraw/zinc/28/89/22/1069288922.db2.gz MGPUOVBTKYKXRV-UHFFFAOYSA-N 1 0 452.603 3.705 20 0 JHADRO Cc1c(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc(Br)cc1C(F)(F)F ZINC001311232206 1069304431 /nfs/dbraw/zinc/30/44/31/1069304431.db2.gz SOWIUZAPIURGGW-JKSUJKDBSA-N 1 0 450.299 3.839 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccccc2Cl)CC[N@@H+]1CCOC ZINC001306620419 1069306352 /nfs/dbraw/zinc/30/63/52/1069306352.db2.gz GMTYMGSUIDSKMF-LVXARBLLSA-N 1 0 499.059 3.838 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCC(C)(C)O)CC[N@@H+]1CCOC ZINC001306621269 1069309008 /nfs/dbraw/zinc/30/90/08/1069309008.db2.gz XMQGFANBRBMFRK-HXUWFJFHSA-N 1 0 494.478 3.806 20 0 JHADRO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164423233 718915109 /nfs/dbraw/zinc/91/51/09/718915109.db2.gz GJXSPEMHDAROPW-QGZVFWFLSA-N 1 0 467.731 3.720 20 0 JHADRO c1sc2nc(CN3CCCCC3)nc(N3CCCO[C@]4(C[NH2+]CCOC4)C3)c2c1-c1ccccc1 ZINC001164426167 718915977 /nfs/dbraw/zinc/91/59/77/718915977.db2.gz XPMNOPSYXVIYSR-HHHXNRCGSA-N 1 0 493.677 3.930 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)C2 ZINC001164619318 719010420 /nfs/dbraw/zinc/01/04/20/719010420.db2.gz VQGVUHRRIDVYQP-MBSDFSHPSA-N 1 0 494.970 3.986 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164616060 719011129 /nfs/dbraw/zinc/01/11/29/719011129.db2.gz KHGNJFCGQJZOCR-KKSFZXQISA-N 1 0 486.947 3.521 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)CC2)CC1 ZINC001164614849 719024145 /nfs/dbraw/zinc/02/41/45/719024145.db2.gz ZNUITTBIULMMSX-UHFFFAOYSA-N 1 0 483.016 3.772 20 0 JHADRO O=C(c1cccnc1N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC001164619285 719046813 /nfs/dbraw/zinc/04/68/13/719046813.db2.gz CHNXGWHOXJJHNS-FIBWVYCGSA-N 1 0 481.644 3.623 20 0 JHADRO Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c2c1C ZINC001164624561 719047490 /nfs/dbraw/zinc/04/74/90/719047490.db2.gz OHQFSILXZRNLAI-LVXARBLLSA-N 1 0 463.651 3.724 20 0 JHADRO CCOC(=O)c1cnc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164618237 719055939 /nfs/dbraw/zinc/05/59/39/719055939.db2.gz AFNDANMGQHQQGT-WMZOPIPTSA-N 1 0 450.917 3.952 20 0 JHADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC001164622289 719094420 /nfs/dbraw/zinc/09/44/20/719094420.db2.gz BQHUOOLXWRICGR-LADGPHEKSA-N 1 0 473.602 3.769 20 0 JHADRO C[N@@H+]1CCO[C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5cccs5)c43)C[C@@H]21 ZINC001164668712 719443078 /nfs/dbraw/zinc/44/30/78/719443078.db2.gz KAGVVSWQXQGTSI-ROUUACIJSA-N 1 0 455.653 3.925 20 0 JHADRO Cc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1NC(C)C ZINC001164680695 719655094 /nfs/dbraw/zinc/65/50/94/719655094.db2.gz HRLCVSKEPAEACU-OAQYLSRUSA-N 1 0 464.658 3.699 20 0 JHADRO CCOC(=O)/C=C/c1cccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164682949 719658334 /nfs/dbraw/zinc/65/83/34/719658334.db2.gz UEQWVGPECOWWFY-HRBBJJPOSA-N 1 0 490.648 3.751 20 0 JHADRO COC(=O)c1c(Cl)ccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685346 719658605 /nfs/dbraw/zinc/65/86/05/719658605.db2.gz ZGXUJSNXZLBGPT-GOSISDBHSA-N 1 0 485.028 3.615 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4ncccc43)CC2)c2ccccc21 ZINC001164681378 719660479 /nfs/dbraw/zinc/66/04/79/719660479.db2.gz NDMGCVAKPUXAOJ-GOSISDBHSA-N 1 0 479.028 3.772 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4c(F)cccc43)CC2)c2ccccc21 ZINC001164680031 719666203 /nfs/dbraw/zinc/66/62/03/719666203.db2.gz AXTAKEJBUAVLSR-LJQANCHMSA-N 1 0 461.585 3.862 20 0 JHADRO COc1cc(Cl)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681907 719667101 /nfs/dbraw/zinc/66/71/01/719667101.db2.gz ODLBPQZNIXXVBB-GOSISDBHSA-N 1 0 457.018 3.837 20 0 JHADRO CC(C)COc1cncc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681488 719678429 /nfs/dbraw/zinc/67/84/29/719678429.db2.gz LTXPZUHMPDJTLM-NRFANRHFSA-N 1 0 465.642 3.605 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)CC2 ZINC001164685244 719707225 /nfs/dbraw/zinc/70/72/25/719707225.db2.gz TTWWVRACCQJWBC-UHFFFAOYSA-N 1 0 451.521 3.756 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)CC2 ZINC001164689904 719742947 /nfs/dbraw/zinc/74/29/47/719742947.db2.gz OGBAINVJPGEJSA-LJQANCHMSA-N 1 0 496.725 3.593 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)CC2 ZINC001164689376 719752620 /nfs/dbraw/zinc/75/26/20/719752620.db2.gz DDNQZNNYMFGZJB-UHFFFAOYSA-N 1 0 452.361 3.770 20 0 JHADRO Fc1cccnc1N(c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164693296 719758671 /nfs/dbraw/zinc/75/86/71/719758671.db2.gz YXEDPMWNUKTQRT-BCHFMIIMSA-N 1 0 495.002 3.882 20 0 JHADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694548 719886546 /nfs/dbraw/zinc/88/65/46/719886546.db2.gz ABZDULWZDXNYTA-UHFFFAOYSA-N 1 0 486.972 3.785 20 0 JHADRO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1Cl ZINC001164695745 719886672 /nfs/dbraw/zinc/88/66/72/719886672.db2.gz UMKXIHMBMKYOKQ-UHFFFAOYSA-N 1 0 486.972 3.785 20 0 JHADRO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164705899 719899208 /nfs/dbraw/zinc/89/92/08/719899208.db2.gz FMYRABPEHSXZJU-FQEVSTJZSA-N 1 0 476.952 3.868 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164712989 720101398 /nfs/dbraw/zinc/10/13/98/720101398.db2.gz ZQAFMQNXRMEAOQ-AREMUKBSSA-N 1 0 498.675 3.937 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)CC2 ZINC001164716924 720124457 /nfs/dbraw/zinc/12/44/57/720124457.db2.gz LMXHRDGOIDOERL-HSZRJFAPSA-N 1 0 473.625 3.507 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1ncn3C(C)C)CC2 ZINC001164712242 720130057 /nfs/dbraw/zinc/13/00/57/720130057.db2.gz LRCIMNLZDRALKJ-IBGZPJMESA-N 1 0 470.021 3.963 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164711234 720132486 /nfs/dbraw/zinc/13/24/86/720132486.db2.gz GGQHVVPJQJNNNX-XMMPIXPASA-N 1 0 459.594 3.958 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)Nc1cc(C)on1)CC2 ZINC001164713929 720138747 /nfs/dbraw/zinc/13/87/47/720138747.db2.gz UELVXCHECNEDDW-OAQYLSRUSA-N 1 0 476.581 3.533 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C)nnc1Cl)CC2 ZINC001164713061 720143519 /nfs/dbraw/zinc/14/35/19/720143519.db2.gz PTWPMAIOVHKSLE-GOSISDBHSA-N 1 0 451.949 3.886 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164710866 720151628 /nfs/dbraw/zinc/15/16/28/720151628.db2.gz FFDUJIWXMDAEIW-HSZRJFAPSA-N 1 0 469.593 3.718 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c(Cl)n1 ZINC001164820233 720157302 /nfs/dbraw/zinc/15/73/02/720157302.db2.gz ZUFQENFISKXXRD-HRAATJIYSA-N 1 0 457.949 3.641 20 0 JHADRO Cn1nnc2c1CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713925 720200636 /nfs/dbraw/zinc/20/06/36/720200636.db2.gz FHRDIIIVKLAOCV-FQEVSTJZSA-N 1 0 476.959 3.778 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001164813337 720207192 /nfs/dbraw/zinc/20/71/92/720207192.db2.gz OOTOPNVQSUHSBI-AUUYWEPGSA-N 1 0 457.978 3.555 20 0 JHADRO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164720841 720318252 /nfs/dbraw/zinc/31/82/52/720318252.db2.gz AVJNZTMAEOVUTH-HXUWFJFHSA-N 1 0 478.975 3.674 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3cnc(Cl)nc3c2)CC1 ZINC001164831409 720325718 /nfs/dbraw/zinc/32/57/18/720325718.db2.gz RYYPNEYLJSNUBO-PMACEKPBSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc3ccccc3nc2Cl)CC1 ZINC001164830038 720326475 /nfs/dbraw/zinc/32/64/75/720326475.db2.gz OLMKVBBAZIHWCT-MOPGFXCFSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3ccn(C(=O)c4ccccc4)c3n2)CC1 ZINC001164825373 720333775 /nfs/dbraw/zinc/33/37/75/720333775.db2.gz DHRZPUYOCFJVFN-BJKOFHAPSA-N 1 0 471.605 3.636 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC1 ZINC001164821797 720353142 /nfs/dbraw/zinc/35/31/42/720353142.db2.gz CAWRWMALSRJMFN-HZPDHXFCSA-N 1 0 463.356 3.725 20 0 JHADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826664 720353746 /nfs/dbraw/zinc/35/37/46/720353746.db2.gz KRIHFIAYCRMVIE-OALUTQOASA-N 1 0 486.016 3.842 20 0 JHADRO O=C(NCCSCc1ccco1)c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721813 720406610 /nfs/dbraw/zinc/40/66/10/720406610.db2.gz BGVYIZAXSIVAOH-PKTZIBPZSA-N 1 0 463.607 3.586 20 0 JHADRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)O2)n1 ZINC001164827645 720411587 /nfs/dbraw/zinc/41/15/87/720411587.db2.gz GSYODPXXRPLVAI-KURKYZTESA-N 1 0 451.905 3.847 20 0 JHADRO O=S(=O)(c1ccccc1)n1c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc2c1ncnc2Cl ZINC001164734720 720423738 /nfs/dbraw/zinc/42/37/38/720423738.db2.gz TUWPSGUYPAOKCR-LEWJYISDSA-N 1 0 495.008 3.570 20 0 JHADRO O=C(C[C@@H]1OC[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC[C@H]21)N1CCCCC1 ZINC001164835097 720498995 /nfs/dbraw/zinc/49/89/95/720498995.db2.gz WUMJOGKUPRQDEE-SLQPCKNISA-N 1 0 474.649 3.884 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3C(=O)NCc3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834410 720514983 /nfs/dbraw/zinc/51/49/83/720514983.db2.gz FZHVAHFCPYWDQC-SONWIMMPSA-N 1 0 458.610 3.586 20 0 JHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc3c2ccn3COCC[Si](C)(C)C)C1 ZINC001164732156 720519833 /nfs/dbraw/zinc/51/98/33/720519833.db2.gz YVRUCFWBNIMKCN-QGZVFWFLSA-N 1 0 476.101 3.792 20 0 JHADRO COC(=O)c1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cnc1Cl ZINC001164837837 720527847 /nfs/dbraw/zinc/52/78/47/720527847.db2.gz POJVHIBDURZXDC-SZVBFZGTSA-N 1 0 467.948 3.641 20 0 JHADRO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164730779 720566650 /nfs/dbraw/zinc/56/66/50/720566650.db2.gz ZNQZDBLNOMIGLJ-UHFFFAOYSA-N 1 0 468.964 3.981 20 0 JHADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836300 720577908 /nfs/dbraw/zinc/57/79/08/720577908.db2.gz FQOCLELYDUNPOV-SXWKCWPCSA-N 1 0 498.672 3.932 20 0 JHADRO 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O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909320 721528275 /nfs/dbraw/zinc/52/82/75/721528275.db2.gz RITXNXBZVPSTNQ-WMZOPIPTSA-N 1 0 496.917 3.723 20 0 JHADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164911090 721539616 /nfs/dbraw/zinc/53/96/16/721539616.db2.gz VLWXIURKKNJKOS-WBVHZDCISA-N 1 0 455.864 3.548 20 0 JHADRO O=C(NC1CCCC1)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164908228 721555719 /nfs/dbraw/zinc/55/57/19/721555719.db2.gz QANWEMPSGQOMHB-CTNGQTDRSA-N 1 0 458.965 3.888 20 0 JHADRO CCOC(=O)c1cc2c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)[nH]c(C)c(C)c-2n1 ZINC001164804008 721563779 /nfs/dbraw/zinc/56/37/79/721563779.db2.gz KQYNCGPATSBCGS-AOHZBQACSA-N 1 0 463.582 3.620 20 0 JHADRO FC1(F)CCN(c2ncnc3cc4c(cc32)OCCO4)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905410 721691608 /nfs/dbraw/zinc/69/16/08/721691608.db2.gz JBUCAEXTLSAXHZ-QHCPKHFHSA-N 1 0 453.493 3.534 20 0 JHADRO COC(=O)c1cc(Cl)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C ZINC001164913795 721734514 /nfs/dbraw/zinc/73/45/14/721734514.db2.gz XTXSNWQMRLFTED-OAQYLSRUSA-N 1 0 450.917 3.963 20 0 JHADRO COc1cc(OC)c2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164913863 721736678 /nfs/dbraw/zinc/73/66/78/721736678.db2.gz ZADNFZIZKMXBTE-QHCPKHFHSA-N 1 0 455.509 3.780 20 0 JHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CC1 ZINC001165010000 721744895 /nfs/dbraw/zinc/74/48/95/721744895.db2.gz KQNCZRRNTPXYCL-UHFFFAOYSA-N 1 0 455.990 3.510 20 0 JHADRO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019593 721804462 /nfs/dbraw/zinc/80/44/62/721804462.db2.gz DGINAXDWFOQWFK-JQHSSLGASA-N 1 0 450.965 3.873 20 0 JHADRO CC(=O)Oc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC(C)=O ZINC001165020812 721819308 /nfs/dbraw/zinc/81/93/08/721819308.db2.gz DHNGYYDURVLYHR-KWOQKUFVSA-N 1 0 489.576 3.612 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1C ZINC001165026715 721822026 /nfs/dbraw/zinc/82/20/26/721822026.db2.gz PTMVXSDSAQDISI-IPELMVKDSA-N 1 0 468.989 3.540 20 0 JHADRO CC(C)CCNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165020621 721825043 /nfs/dbraw/zinc/82/50/43/721825043.db2.gz CWCNFZNCEBMQHQ-TUACAJSNSA-N 1 0 471.671 3.538 20 0 JHADRO Cc1nc(CN2CCOC[C@]3(CN(c4[nH+]c(N5CCCC5)cc5ccccc54)CCO3)C2)cs1 ZINC001164921107 721832785 /nfs/dbraw/zinc/83/27/85/721832785.db2.gz IIHFTNGIQRPTMF-AREMUKBSSA-N 1 0 479.650 3.708 20 0 JHADRO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164923402 721837449 /nfs/dbraw/zinc/83/74/49/721837449.db2.gz KDDXINNSHINXSA-XXBNENTESA-N 1 0 490.986 3.711 20 0 JHADRO COc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c(Cl)nn2)cc1 ZINC001164933404 721890331 /nfs/dbraw/zinc/89/03/31/721890331.db2.gz LOEKXNJZWXDQMV-PMACEKPBSA-N 1 0 451.949 3.565 20 0 JHADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCN(C[C@@H]4CCCO4)CC3)c21 ZINC001165039532 721916042 /nfs/dbraw/zinc/91/60/42/721916042.db2.gz SJBKMQOUYSVLQX-NRFANRHFSA-N 1 0 497.039 3.698 20 0 JHADRO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164940339 721922358 /nfs/dbraw/zinc/92/23/58/721922358.db2.gz ZHGMDVFMKJQWNO-UHFFFAOYSA-N 1 0 460.578 3.986 20 0 JHADRO O=C(c1cccnc1N1CCCC[C@H]1CC[NH+]1CCCC1)N1CCN(Cc2ccccc2)CC1 ZINC001165050191 721972996 /nfs/dbraw/zinc/97/29/96/721972996.db2.gz VTGUMPBRZSUZGQ-VWLOTQADSA-N 1 0 461.654 3.884 20 0 JHADRO Fc1ccccc1N1CCN(c2cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ncn2)CC1 ZINC001164955229 722023031 /nfs/dbraw/zinc/02/30/31/722023031.db2.gz AVYPKIOXICRLFC-UHFFFAOYSA-N 1 0 487.627 3.830 20 0 JHADRO O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164956102 722033281 /nfs/dbraw/zinc/03/32/81/722033281.db2.gz BWKWFNRHOIAAGD-UFHPHHKVSA-N 1 0 453.590 3.568 20 0 JHADRO FC(F)(c1cnc(Cl)nc1Cl)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960467 722052176 /nfs/dbraw/zinc/05/21/76/722052176.db2.gz OOJUNJSDQFEIOD-UHFFFAOYSA-N 1 0 458.340 3.842 20 0 JHADRO COCc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(-c2ccccc2)n1 ZINC001164961920 722052839 /nfs/dbraw/zinc/05/28/39/722052839.db2.gz YRZDZRKDBMUEFR-UHFFFAOYSA-N 1 0 459.594 3.804 20 0 JHADRO O=C(NCc1ccccc1)c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960466 722053118 /nfs/dbraw/zinc/05/31/18/722053118.db2.gz OMWKCKJMRUMEPS-UHFFFAOYSA-N 1 0 471.605 3.526 20 0 JHADRO COc1cccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c21 ZINC001164964292 722056987 /nfs/dbraw/zinc/05/69/87/722056987.db2.gz ULMRXSFHFRTDOH-UHFFFAOYSA-N 1 0 453.974 3.806 20 0 JHADRO COc1cccc(Oc2cncc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)c1 ZINC001164961598 722058202 /nfs/dbraw/zinc/05/82/02/722058202.db2.gz MOUBBMVDHYADHX-UHFFFAOYSA-N 1 0 461.566 3.792 20 0 JHADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963346 722058852 /nfs/dbraw/zinc/05/88/52/722058852.db2.gz XDNOHNJZXAJARF-UHFFFAOYSA-N 1 0 474.943 3.737 20 0 JHADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960011 722059153 /nfs/dbraw/zinc/05/91/53/722059153.db2.gz CPFTWMDAZZORJP-UHFFFAOYSA-N 1 0 480.943 3.581 20 0 JHADRO C(c1nc2sc3c(c2c(N2C[C@@H]4C[N@H+](CC5CC5)C[C@H](C2)O4)n1)CCCC3)N1CCCCC1 ZINC001164966869 722075178 /nfs/dbraw/zinc/07/51/78/722075178.db2.gz GUGMWTNABDHDTR-BGYRXZFFSA-N 1 0 467.683 3.855 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)N3C(C)=O)C2)nc1 ZINC001164968946 722081244 /nfs/dbraw/zinc/08/12/44/722081244.db2.gz GNWQNXPTBHTJHT-CXSMSNRLSA-N 1 0 450.631 3.731 20 0 JHADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980770 722102424 /nfs/dbraw/zinc/10/24/24/722102424.db2.gz KJAGZRHGDCPZGY-PXNSSMCTSA-N 1 0 459.928 3.950 20 0 JHADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164982312 722130116 /nfs/dbraw/zinc/13/01/16/722130116.db2.gz RPINIGIGNGJZOT-XLIONFOSSA-N 1 0 470.936 3.579 20 0 JHADRO O=C(c1ccccc1)n1ccc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164980342 722136205 /nfs/dbraw/zinc/13/62/05/722136205.db2.gz MZBPAKGOWKNOLR-LOSJGSFVSA-N 1 0 467.573 3.847 20 0 JHADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981493 722137626 /nfs/dbraw/zinc/13/76/26/722137626.db2.gz OZSNRPSZGHSSSJ-KNQAVFIVSA-N 1 0 481.984 3.582 20 0 JHADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)o2)cc1 ZINC001164976107 722143392 /nfs/dbraw/zinc/14/33/92/722143392.db2.gz HEZGLJMIXWHNKB-YADHBBJMSA-N 1 0 456.550 3.716 20 0 JHADRO O=C(OCc1ccccc1)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164979640 722145612 /nfs/dbraw/zinc/14/56/12/722145612.db2.gz LPYNEKUNYWVIER-LOSJGSFVSA-N 1 0 458.562 3.561 20 0 JHADRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164974038 722151843 /nfs/dbraw/zinc/15/18/43/722151843.db2.gz OFBIINIEXPORLD-LEWJYISDSA-N 1 0 450.974 3.623 20 0 JHADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc4ccsc4c(N4CCOCC4)n2)C3)c1 ZINC001164993695 722194926 /nfs/dbraw/zinc/19/49/26/722194926.db2.gz HVHQKTKWEHOFHO-DEOSSOPVSA-N 1 0 453.587 3.912 20 0 JHADRO O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CCO2 ZINC001164999745 722250293 /nfs/dbraw/zinc/25/02/93/722250293.db2.gz BGXBILVXHBSNDG-HSZRJFAPSA-N 1 0 492.954 3.761 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)CCC2 ZINC001164999920 722253036 /nfs/dbraw/zinc/25/30/36/722253036.db2.gz JEOLVHNADNFIIF-UHFFFAOYSA-N 1 0 469.593 3.891 20 0 JHADRO COc1cccc(Oc2nc(Cl)ncc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165003645 722257915 /nfs/dbraw/zinc/25/79/15/722257915.db2.gz FVZGFKXOXLRLOA-UHFFFAOYSA-N 1 0 472.977 3.616 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)CCO1 ZINC001306623005 1069313641 /nfs/dbraw/zinc/31/36/41/1069313641.db2.gz APXLOTHTIZFYSZ-KCZVDYSFSA-N 1 0 490.693 3.881 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCc2c(F)cccc2F)CC[N@@H+]1CCOC ZINC001306623823 1069316075 /nfs/dbraw/zinc/31/60/75/1069316075.db2.gz GFZICWOQUXRVBE-CVDCTZTESA-N 1 0 477.600 3.978 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001306624190 1069317106 /nfs/dbraw/zinc/31/71/06/1069317106.db2.gz MLJVJBJGMUGAJO-AJTFRIOCSA-N 1 0 496.656 3.703 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC001306624879 1069318900 /nfs/dbraw/zinc/31/89/00/1069318900.db2.gz MTVPQHISRMMBFO-UNMCSNQZSA-N 1 0 462.038 3.811 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3cccnc3)n2CC(C)(C)C(F)(F)F)CC[N@@H+]1CCOC ZINC001306627584 1069324567 /nfs/dbraw/zinc/32/45/67/1069324567.db2.gz FTNZKPSKSKAMQL-IBGZPJMESA-N 1 0 468.568 3.790 20 0 JHADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)Nc1nn(CC(F)F)c2ccccc21 ZINC001311337232 1069329002 /nfs/dbraw/zinc/32/90/02/1069329002.db2.gz TUFKWCBCDMGTSC-UHFFFAOYSA-N 1 0 456.541 3.631 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C[C@H]1c1ccc(O)cc1 ZINC001311341370 1069330090 /nfs/dbraw/zinc/33/00/90/1069330090.db2.gz PKAGHLXQDINKAV-LOSJGSFVSA-N 1 0 465.594 3.722 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)N2CC[NH+](CC)CC2)CCO1 ZINC001306632082 1069333176 /nfs/dbraw/zinc/33/31/76/1069333176.db2.gz JMEMUWYIICCSGD-UKILVPOCSA-N 1 0 484.689 3.505 20 0 JHADRO COc1ccc([C@H](CNC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)[NH+](C)C)cc1OC ZINC001311348255 1069334883 /nfs/dbraw/zinc/33/48/83/1069334883.db2.gz IEWZRMTUNLQDCB-KRWDZBQOSA-N 1 0 459.934 3.509 20 0 JHADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC001311355395 1069339537 /nfs/dbraw/zinc/33/95/37/1069339537.db2.gz CDWDLIRRBWDRRW-UHFFFAOYSA-N 1 0 453.627 3.995 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc(-c3ccccc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001306635036 1069341320 /nfs/dbraw/zinc/34/13/20/1069341320.db2.gz RXLGNONZDPLDCM-UHFFFAOYSA-N 1 0 482.673 3.721 20 0 JHADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC001311363213 1069346051 /nfs/dbraw/zinc/34/60/51/1069346051.db2.gz QMHVWCSJJJIKQQ-HRQSHJORSA-N 1 0 453.002 3.509 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306636284 1069344644 /nfs/dbraw/zinc/34/46/44/1069344644.db2.gz QGXOMEGJEIUVBY-FCHUYYIVSA-N 1 0 488.721 3.958 20 0 JHADRO CCc1cc(N2CCC(NC(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC2)ncn1 ZINC001311369992 1069347801 /nfs/dbraw/zinc/34/78/01/1069347801.db2.gz LDAVBKYVDKQPSH-QFIPXVFZSA-N 1 0 457.022 3.798 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2Cc2ncccc2C)CC[N@@H+]1CCOC ZINC001306638543 1069348355 /nfs/dbraw/zinc/34/83/55/1069348355.db2.gz AHRYJIWGBZLBHC-FQEVSTJZSA-N 1 0 452.578 3.773 20 0 JHADRO CCCCCN(c1nnc(-c2noc3c2COCC3)n1C[C@]1([NH+](C)C)CCSC1)C(C)C ZINC001306643063 1069354307 /nfs/dbraw/zinc/35/43/07/1069354307.db2.gz LYNMEYDHFGRIJM-HSZRJFAPSA-N 1 0 462.664 3.848 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N3C[C@@H](CC(F)(F)F)O[C@@H](C)C3)CC2)c1 ZINC001311381743 1069354427 /nfs/dbraw/zinc/35/44/27/1069354427.db2.gz UCWHUKAMDVJSMN-PZJWPPBQSA-N 1 0 456.553 3.649 20 0 JHADRO COC(=O)Nc1ccc(CNC(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC001311382585 1069354968 /nfs/dbraw/zinc/35/49/68/1069354968.db2.gz YVRHBGBUXYZACY-UHFFFAOYSA-N 1 0 453.587 3.575 20 0 JHADRO CCCCCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1)C(C)C ZINC001306643936 1069355106 /nfs/dbraw/zinc/35/51/06/1069355106.db2.gz VYJFNVXOFSCPAH-SANMLTNESA-N 1 0 492.709 3.864 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001306646687 1069358054 /nfs/dbraw/zinc/35/80/54/1069358054.db2.gz MTYHLKOBHIBNKY-RBUKOAKNSA-N 1 0 492.462 3.681 20 0 JHADRO CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001306647266 1069358757 /nfs/dbraw/zinc/35/87/57/1069358757.db2.gz FPMZOBMTQAPQPT-UHFFFAOYSA-N 1 0 461.680 3.739 20 0 JHADRO CC[C@@H](CNC(=O)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCc2ccccc2C1 ZINC001311396887 1069361119 /nfs/dbraw/zinc/36/11/19/1069361119.db2.gz PWKITXBJAITDBK-QFIPXVFZSA-N 1 0 456.631 3.866 20 0 JHADRO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001311400543 1069362194 /nfs/dbraw/zinc/36/21/94/1069362194.db2.gz RXTWXTVWCITBKW-REHUZNOOSA-N 1 0 453.631 3.752 20 0 JHADRO C[N@H+](CCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C1CCCCC1 ZINC001311402320 1069362218 /nfs/dbraw/zinc/36/22/18/1069362218.db2.gz WDWGKVVYLGXAJB-HXUWFJFHSA-N 1 0 452.546 3.737 20 0 JHADRO C[C@H](CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC001311402871 1069362833 /nfs/dbraw/zinc/36/28/33/1069362833.db2.gz UHHOYRHTYNAIRU-NCOADZHNSA-N 1 0 450.546 3.594 20 0 JHADRO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)[NH+](C)C)cc1 ZINC001311405551 1069364750 /nfs/dbraw/zinc/36/47/50/1069364750.db2.gz QAMVBZOEGIVXDL-BJKOFHAPSA-N 1 0 452.599 3.739 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC001311405488 1069364763 /nfs/dbraw/zinc/36/47/63/1069364763.db2.gz WICIJDLZRLNQIS-XPWALMASSA-N 1 0 456.631 3.770 20 0 JHADRO CC[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001311397637 1069361090 /nfs/dbraw/zinc/36/10/90/1069361090.db2.gz VLTCMGSFBUZTSI-VRUMLPLGSA-N 1 0 456.631 3.912 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC001311425097 1069373943 /nfs/dbraw/zinc/37/39/43/1069373943.db2.gz WXENAXZPNAMCDY-UHFFFAOYSA-N 1 0 458.006 3.500 20 0 JHADRO CC[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@H](CC)CO1 ZINC001311423168 1069371544 /nfs/dbraw/zinc/37/15/44/1069371544.db2.gz MMFXWZJRHGVOFM-TZIWHRDSSA-N 1 0 456.553 3.817 20 0 JHADRO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC001306661129 1069381376 /nfs/dbraw/zinc/38/13/76/1069381376.db2.gz JCWRCQJAARCDLK-IBGZPJMESA-N 1 0 451.036 3.686 20 0 JHADRO COc1cccc([C@H](NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c2cc(F)ccc2OC)c1 ZINC001311441031 1069381731 /nfs/dbraw/zinc/38/17/31/1069381731.db2.gz LGIKBEFVMAFERJ-QPPBQGQZSA-N 1 0 459.562 3.588 20 0 JHADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001311449997 1069384008 /nfs/dbraw/zinc/38/40/08/1069384008.db2.gz UVQZZEQUFOGBLD-MSOLQXFVSA-N 1 0 454.384 3.606 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2nccc(C(C)C)n2)CC1)c1cccc(OC)c1 ZINC001311468541 1069391997 /nfs/dbraw/zinc/39/19/97/1069391997.db2.gz AEOIOZVZDRXBGE-QHCPKHFHSA-N 1 0 454.619 3.523 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311469667 1069393370 /nfs/dbraw/zinc/39/33/70/1069393370.db2.gz NPTDESPXCIQPBW-BJKOFHAPSA-N 1 0 452.599 3.569 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC001311479566 1069397273 /nfs/dbraw/zinc/39/72/73/1069397273.db2.gz AWEILYJGWOQKBG-MXVIHJGJSA-N 1 0 459.635 3.676 20 0 JHADRO CC(C)(C)OC(=O)N1CC=C(CCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001311480747 1069397590 /nfs/dbraw/zinc/39/75/90/1069397590.db2.gz SHAFZOSGHFAMEC-UHFFFAOYSA-N 1 0 456.631 3.950 20 0 JHADRO C[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311482853 1069398604 /nfs/dbraw/zinc/39/86/04/1069398604.db2.gz QEQFOZNWDKLOPN-LJQANCHMSA-N 1 0 450.583 3.943 20 0 JHADRO C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311482888 1069398860 /nfs/dbraw/zinc/39/88/60/1069398860.db2.gz RBDJIXJKLACZJQ-NHCUHLMSSA-N 1 0 450.583 3.754 20 0 JHADRO CCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001306675252 1069399903 /nfs/dbraw/zinc/39/99/03/1069399903.db2.gz QTFITJGDQHTBIX-LEWJYISDSA-N 1 0 478.682 3.943 20 0 JHADRO O=C(NCc1ccc(COc2ccccc2)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001311487000 1069400687 /nfs/dbraw/zinc/40/06/87/1069400687.db2.gz GEWMMXITNYXTIW-BDYUSTAISA-N 1 0 459.590 3.948 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001306678565 1069402984 /nfs/dbraw/zinc/40/29/84/1069402984.db2.gz KUSXIIXOHOBZIM-JGCGQSQUSA-N 1 0 460.692 3.836 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccc3C)n2CC(=O)NCC(F)(F)F)CC1 ZINC001306678602 1069403145 /nfs/dbraw/zinc/40/31/45/1069403145.db2.gz LZKHEAQDSCVFJP-UHFFFAOYSA-N 1 0 480.579 3.880 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC2([S@](C)=O)CCC2)CC1 ZINC001306679202 1069404417 /nfs/dbraw/zinc/40/44/17/1069404417.db2.gz PIPADGSSHOTRDP-YTTGMZPUSA-N 1 0 460.692 3.533 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001306680114 1069406519 /nfs/dbraw/zinc/40/65/19/1069406519.db2.gz PITCIYSMVOGPBP-HXUWFJFHSA-N 1 0 494.619 3.512 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CCC([C@@](C)(O)C(F)(F)F)CC3)cc2)C[C@@H](C)O1 ZINC001311498781 1069407630 /nfs/dbraw/zinc/40/76/30/1069407630.db2.gz WVJNLSYQSGGRPN-DRSNIGMVSA-N 1 0 457.537 3.531 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001306682184 1069412700 /nfs/dbraw/zinc/41/27/00/1069412700.db2.gz BZLRJXVSWFEEND-SFHVURJKSA-N 1 0 459.038 3.825 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001306682033 1069411854 /nfs/dbraw/zinc/41/18/54/1069411854.db2.gz AESMOUZZQJTZJU-UHFFFAOYSA-N 1 0 494.640 3.858 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001306681911 1069411865 /nfs/dbraw/zinc/41/18/65/1069411865.db2.gz XBWKXAHVWAGGEY-UHFFFAOYSA-N 1 0 491.478 3.792 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001306682186 1069412400 /nfs/dbraw/zinc/41/24/00/1069412400.db2.gz CAFANVJKYZBGBN-UHFFFAOYSA-N 1 0 451.619 3.604 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001306680951 1069408973 /nfs/dbraw/zinc/40/89/73/1069408973.db2.gz WQKAJGFYFCOWJO-HFZDXXHNSA-N 1 0 473.637 3.777 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306683358 1069416602 /nfs/dbraw/zinc/41/66/02/1069416602.db2.gz SHNLCGQPUNVLEN-UHFFFAOYSA-N 1 0 477.657 3.920 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC001306683711 1069418173 /nfs/dbraw/zinc/41/81/73/1069418173.db2.gz BJKURIJFENHWMJ-UHFFFAOYSA-N 1 0 450.635 3.800 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001306683464 1069417191 /nfs/dbraw/zinc/41/71/91/1069417191.db2.gz YKXWVKCNPIYWCG-NRFANRHFSA-N 1 0 454.623 3.703 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001306682687 1069414584 /nfs/dbraw/zinc/41/45/84/1069414584.db2.gz LXQRVJASPZJWHC-NRFANRHFSA-N 1 0 461.676 3.598 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001306682782 1069414732 /nfs/dbraw/zinc/41/47/32/1069414732.db2.gz NOVJOSNIQJXIPB-SANMLTNESA-N 1 0 454.663 3.937 20 0 JHADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)c1 ZINC001311517628 1069418662 /nfs/dbraw/zinc/41/86/62/1069418662.db2.gz AGGZGFWSPIBXQP-UHFFFAOYSA-N 1 0 450.505 3.517 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001306686466 1069422669 /nfs/dbraw/zinc/42/26/69/1069422669.db2.gz VQUBQJIBLPTSNJ-NHCUHLMSSA-N 1 0 458.626 3.758 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001311518038 1069419290 /nfs/dbraw/zinc/41/92/90/1069419290.db2.gz GFYRGFSXEWTPQZ-QZTJIDSGSA-N 1 0 454.537 3.731 20 0 JHADRO CCCC[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@H](SC)C1 ZINC001306685553 1069421351 /nfs/dbraw/zinc/42/13/51/1069421351.db2.gz GMZNAAQGZCNSIX-QFIPXVFZSA-N 1 0 486.734 3.906 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001306685848 1069421456 /nfs/dbraw/zinc/42/14/56/1069421456.db2.gz MAIRPTHOIPNGCE-NRFANRHFSA-N 1 0 489.064 3.520 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](CC)C1 ZINC001306685869 1069421962 /nfs/dbraw/zinc/42/19/62/1069421962.db2.gz MIFALQZBVCLQNB-WOJBJXKFSA-N 1 0 496.722 3.650 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001306687405 1069423931 /nfs/dbraw/zinc/42/39/31/1069423931.db2.gz GVDYKBXQQNVHTN-PIXQIBFHSA-N 1 0 477.694 3.703 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(F)cc(F)cc2C1 ZINC001306688059 1069425302 /nfs/dbraw/zinc/42/53/02/1069425302.db2.gz OFDWVMZIKGLGGY-UHFFFAOYSA-N 1 0 457.573 3.713 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC001306688228 1069425319 /nfs/dbraw/zinc/42/53/19/1069425319.db2.gz OZMUAGLUFQWZKQ-LEDOBFOHSA-N 1 0 459.610 3.997 20 0 JHADRO CCC(CC)[C@H](CNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)N1CCOCC1 ZINC001311532955 1069426448 /nfs/dbraw/zinc/42/64/48/1069426448.db2.gz JWDHVILXHICMIW-VWLOTQADSA-N 1 0 456.675 3.920 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001306689403 1069426657 /nfs/dbraw/zinc/42/66/57/1069426657.db2.gz WFJJOLWFZLTSGC-JOCHJYFZSA-N 1 0 468.568 3.526 20 0 JHADRO CCOc1ccc(-c2cn(C3CN(C(=O)NC[C@H](C(CC)CC)[NH+]4CCCC4)C3)nn2)cc1 ZINC001311536675 1069429177 /nfs/dbraw/zinc/42/91/77/1069429177.db2.gz OBIZVYGQZBSKDF-XMMPIXPASA-N 1 0 454.619 3.811 20 0 JHADRO CCCCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001306694642 1069431452 /nfs/dbraw/zinc/43/14/52/1069431452.db2.gz VKEXVAMQJDKEHU-NRFANRHFSA-N 1 0 457.619 3.700 20 0 JHADRO COc1cccc([C@H](CNC(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)[NH+](C)C)c1 ZINC001311571324 1069443225 /nfs/dbraw/zinc/44/32/25/1069443225.db2.gz PNYGMJMBPMXNNV-LQGLAIQGSA-N 1 0 455.599 3.923 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001311582362 1069449257 /nfs/dbraw/zinc/44/92/57/1069449257.db2.gz AILQJSJGIOCHPN-LJQANCHMSA-N 1 0 454.681 3.827 20 0 JHADRO CN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001311582408 1069449584 /nfs/dbraw/zinc/44/95/84/1069449584.db2.gz BQUYINIXUNMWGQ-UHFFFAOYSA-N 1 0 454.681 3.825 20 0 JHADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001311585153 1069451205 /nfs/dbraw/zinc/45/12/05/1069451205.db2.gz YBQIYTVSIPXLTH-MOPGFXCFSA-N 1 0 454.681 3.825 20 0 JHADRO COc1ccc(CN2CC[C@@H]2CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC001311588382 1069452442 /nfs/dbraw/zinc/45/24/42/1069452442.db2.gz MDYLDWCQBMSQNX-HSZRJFAPSA-N 1 0 457.018 3.887 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1 ZINC001306719575 1069454012 /nfs/dbraw/zinc/45/40/12/1069454012.db2.gz DAMHUUYCCGXRBX-OAQYLSRUSA-N 1 0 486.636 3.953 20 0 JHADRO CCCCn1cc(Cn2c(N3C[C@H](C)[N@H+](CC)C[C@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)c(C)n1 ZINC001306721057 1069456717 /nfs/dbraw/zinc/45/67/17/1069456717.db2.gz PGOLFLVMDFDGIZ-LZCXECNNSA-N 1 0 487.693 3.591 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCOCC1 ZINC001306721784 1069458496 /nfs/dbraw/zinc/45/84/96/1069458496.db2.gz DNMZSNUACMFRIA-OAQYLSRUSA-N 1 0 457.619 3.844 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001306722945 1069462228 /nfs/dbraw/zinc/46/22/28/1069462228.db2.gz PAYKEBQHWMKSPZ-PKTZIBPZSA-N 1 0 486.636 3.788 20 0 JHADRO CC[C@@H](NC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)NC ZINC001311611133 1069463051 /nfs/dbraw/zinc/46/30/51/1069463051.db2.gz ISKXJXIAYSMABQ-JTHBVZDNSA-N 1 0 452.599 3.569 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001306723552 1069463498 /nfs/dbraw/zinc/46/34/98/1069463498.db2.gz UDVZZJWSSBNCKG-OTWHNJEPSA-N 1 0 454.610 3.798 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001306724548 1069465194 /nfs/dbraw/zinc/46/51/94/1069465194.db2.gz YUPOFDXCAZUSFU-FPOVZHCZSA-N 1 0 458.655 3.631 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC)(CC)C1 ZINC001306724896 1069465765 /nfs/dbraw/zinc/46/57/65/1069465765.db2.gz AADRWTDMXPYOPT-RTWAWAEBSA-N 1 0 465.708 3.851 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C)C(=O)C1 ZINC001306724750 1069465785 /nfs/dbraw/zinc/46/57/85/1069465785.db2.gz ZQRALRJGIAAWQV-IBGZPJMESA-N 1 0 475.037 3.540 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306726458 1069469990 /nfs/dbraw/zinc/46/99/90/1069469990.db2.gz MOIWQFOFSMOSRM-ZEQRLZLVSA-N 1 0 488.721 3.910 20 0 JHADRO CC(C)(C)OC(=O)C1CCC(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001311632639 1069479933 /nfs/dbraw/zinc/47/99/33/1069479933.db2.gz JXGBEDUWMKINSB-UHFFFAOYSA-N 1 0 458.647 3.789 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001306730142 1069480666 /nfs/dbraw/zinc/48/06/66/1069480666.db2.gz MXNFEGBRNAUTPN-LADGPHEKSA-N 1 0 488.721 3.944 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001306728873 1069477089 /nfs/dbraw/zinc/47/70/89/1069477089.db2.gz FWSGOPFFIPIOIQ-WWNPGLIZSA-N 1 0 454.663 3.973 20 0 JHADRO C[C@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC001311629311 1069477629 /nfs/dbraw/zinc/47/76/29/1069477629.db2.gz BENUKFKQXPSBAV-GBXCKJPGSA-N 1 0 456.656 3.648 20 0 JHADRO Cc1ccc(C(=O)Nc2cccc(CNC(=O)N3CC[N@H+](C4CCOCC4)C[C@H]3C)c2)cc1 ZINC001311633792 1069480890 /nfs/dbraw/zinc/48/08/90/1069480890.db2.gz MLVLEJWKHNCJDO-HXUWFJFHSA-N 1 0 450.583 3.642 20 0 JHADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC001311641235 1069485913 /nfs/dbraw/zinc/48/59/13/1069485913.db2.gz VNSIDXJUXQKYKJ-FXAWDEMLSA-N 1 0 450.421 3.766 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306731071 1069484498 /nfs/dbraw/zinc/48/44/98/1069484498.db2.gz ONYJKOOBWXHCOZ-BJKOFHAPSA-N 1 0 458.695 3.970 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001306731210 1069484997 /nfs/dbraw/zinc/48/49/97/1069484997.db2.gz DQNCBZRNNOOLMV-ZKMPZPQNSA-N 1 0 495.716 3.906 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306732337 1069489267 /nfs/dbraw/zinc/48/92/67/1069489267.db2.gz HJTOBTHFFGWGTC-LYGMZBLVSA-N 1 0 495.716 3.906 20 0 JHADRO C[C@@H]1CCC[C@](CNC(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)([NH+](C)C)C1 ZINC001311657408 1069491263 /nfs/dbraw/zinc/49/12/63/1069491263.db2.gz SBATYAFJWFKBBY-KUDFPVQQSA-N 1 0 458.416 3.549 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 ZINC001311664019 1069493267 /nfs/dbraw/zinc/49/32/67/1069493267.db2.gz HIXFCRGXWSFAOZ-HYBUGGRVSA-N 1 0 456.631 3.990 20 0 JHADRO Cc1cccc(NC(=O)COc2ccc(CCNC(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2)c1 ZINC001311689538 1069504211 /nfs/dbraw/zinc/50/42/11/1069504211.db2.gz POGBMOFHPRBDEV-PKTZIBPZSA-N 1 0 452.599 3.727 20 0 JHADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NCc1ccc(N2CCCCC2=O)cc1 ZINC001311692867 1069506085 /nfs/dbraw/zinc/50/60/85/1069506085.db2.gz ZJXBNLQKZHSOEW-UHFFFAOYSA-N 1 0 450.583 3.678 20 0 JHADRO Cc1ccc(NC(=O)COc2ccc(CCNC(=O)N3CCC([NH2+]C(C)C)CC3)cc2)cc1 ZINC001311692790 1069506324 /nfs/dbraw/zinc/50/63/24/1069506324.db2.gz WWPBNWRASYNZLF-UHFFFAOYSA-N 1 0 452.599 3.727 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001306738105 1069508181 /nfs/dbraw/zinc/50/81/81/1069508181.db2.gz ZAUTYNBJDIUSRN-IFMALSPDSA-N 1 0 469.678 3.916 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)C1 ZINC001311705154 1069511169 /nfs/dbraw/zinc/51/11/69/1069511169.db2.gz PLIKMQLXHYRUJY-LMMKCTJWSA-N 1 0 459.553 3.843 20 0 JHADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001311713226 1069514987 /nfs/dbraw/zinc/51/49/87/1069514987.db2.gz KXNKHMZHAIQOEU-ROUUACIJSA-N 1 0 451.354 3.828 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001306740329 1069513272 /nfs/dbraw/zinc/51/32/72/1069513272.db2.gz KUDYCMKEKRRKFW-QHCPKHFHSA-N 1 0 481.689 3.903 20 0 JHADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC001311715007 1069516009 /nfs/dbraw/zinc/51/60/09/1069516009.db2.gz YEUZAPLOXSQZPX-PKOBYXMFSA-N 1 0 456.370 3.805 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CC=CCC2)C1 ZINC001306742321 1069519731 /nfs/dbraw/zinc/51/97/31/1069519731.db2.gz FELFFGDYVVNKEG-HXUWFJFHSA-N 1 0 486.611 3.542 20 0 JHADRO C[C@@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC001311723657 1069521682 /nfs/dbraw/zinc/52/16/82/1069521682.db2.gz UZDBTWGHDHGXSR-LJQANCHMSA-N 1 0 450.583 3.847 20 0 JHADRO COc1cccc(CN(C(=O)NCc2ccccc2OCC[NH+](C)C)C2CCC(O)CC2)c1 ZINC001311728482 1069524684 /nfs/dbraw/zinc/52/46/84/1069524684.db2.gz WIDNYPNWPDUSOU-UHFFFAOYSA-N 1 0 455.599 3.651 20 0 JHADRO COc1ccc([C@H]2CN(C(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CCO2)cc1OC ZINC001311745740 1069531051 /nfs/dbraw/zinc/53/10/51/1069531051.db2.gz FAKMODMJGHBCDY-SQJMNOBHSA-N 1 0 453.583 3.699 20 0 JHADRO O=C(NCc1ccc(Br)cc1Cl)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001311751242 1069532567 /nfs/dbraw/zinc/53/25/67/1069532567.db2.gz IYXHPSVMPLKCLL-FQEVSTJZSA-N 1 0 452.780 3.539 20 0 JHADRO COc1ccc(C[NH+]2CCC(CNC(=O)N3CCO[C@@H](c4ccc(OC)cc4)C3)CC2)cc1 ZINC001311758413 1069534836 /nfs/dbraw/zinc/53/48/36/1069534836.db2.gz KZHMHHKXTFXTTF-RUZDIDTESA-N 1 0 453.583 3.699 20 0 JHADRO COc1ccc(C[NH+]2CCC(CNC(=O)N(C)Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC001311757668 1069534870 /nfs/dbraw/zinc/53/48/70/1069534870.db2.gz BURVHZILPHCMHV-UHFFFAOYSA-N 1 0 455.584 3.860 20 0 JHADRO COC(=O)c1cc(C2CCN(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)CC2)no1 ZINC001311766449 1069538659 /nfs/dbraw/zinc/53/86/59/1069538659.db2.gz SYUDCZRWUXVQKJ-UHFFFAOYSA-N 1 0 454.571 3.926 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ccn(C)n2)cc1OC ZINC001306748202 1069537424 /nfs/dbraw/zinc/53/74/24/1069537424.db2.gz CCKUZFGKANBCGZ-UHFFFAOYSA-N 1 0 481.645 3.835 20 0 JHADRO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)[NH+]2CCCC2)cc1 ZINC001311767122 1069539264 /nfs/dbraw/zinc/53/92/64/1069539264.db2.gz ZDFUDHNNQXPOHQ-FTJBHMTQSA-N 1 0 450.627 3.641 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001306749015 1069540165 /nfs/dbraw/zinc/54/01/65/1069540165.db2.gz NYIVNWBFJITCRC-RBBKRZOGSA-N 1 0 460.667 3.527 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC2(O)CCCC2)cc1OC ZINC001306749409 1069542064 /nfs/dbraw/zinc/54/20/64/1069542064.db2.gz USSGFCOJUVLXBT-UHFFFAOYSA-N 1 0 471.646 3.968 20 0 JHADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001311796494 1069549782 /nfs/dbraw/zinc/54/97/82/1069549782.db2.gz BQAJZUPCBNAVBF-SFHVURJKSA-N 1 0 451.409 3.746 20 0 JHADRO CCCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001306769749 1069569021 /nfs/dbraw/zinc/56/90/21/1069569021.db2.gz FOOIHEUSBRDIRE-UHFFFAOYSA-N 1 0 457.619 3.844 20 0 JHADRO CCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306765911 1069567297 /nfs/dbraw/zinc/56/72/97/1069567297.db2.gz YIWMIHKRXYNHNA-GOSISDBHSA-N 1 0 451.619 3.549 20 0 JHADRO C[C@@H]1[C@@H](NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001311829778 1069567398 /nfs/dbraw/zinc/56/73/98/1069567398.db2.gz NLVYCOCKQWLYGL-YGOYIFOWSA-N 1 0 457.018 3.676 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)OC)C1 ZINC001306778995 1069574875 /nfs/dbraw/zinc/57/48/75/1069574875.db2.gz CODSLJUXZJENTN-DLBZAZTESA-N 1 0 450.425 3.911 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCO[C@H](C)C2)C1 ZINC001306779835 1069575916 /nfs/dbraw/zinc/57/59/16/1069575916.db2.gz JGQIVJXUPIXDDF-HKBOAZHASA-N 1 0 471.646 3.946 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCO[C@H](C)C2)C1 ZINC001306779836 1069576108 /nfs/dbraw/zinc/57/61/08/1069576108.db2.gz JGQIVJXUPIXDDF-NJYVYQBISA-N 1 0 471.646 3.946 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001306780361 1069577362 /nfs/dbraw/zinc/57/73/62/1069577362.db2.gz BAONXCWLIDAVBT-OALUTQOASA-N 1 0 467.536 3.897 20 0 JHADRO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)N3CCC([N@H+](C)CCCO)CC3)cc2)cc1 ZINC001311849630 1069579003 /nfs/dbraw/zinc/57/90/03/1069579003.db2.gz WJMWLUYHARMEAN-QFIPXVFZSA-N 1 0 453.627 3.993 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OC)c2OC)C1 ZINC001306782834 1069581905 /nfs/dbraw/zinc/58/19/05/1069581905.db2.gz GEEXBZWLZCIBDO-LJQANCHMSA-N 1 0 450.587 3.574 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCSC)C1 ZINC001306781374 1069579370 /nfs/dbraw/zinc/57/93/70/1069579370.db2.gz SUCFEPMJGPIUKK-MRXNPFEDSA-N 1 0 469.497 3.967 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001306781477 1069579481 /nfs/dbraw/zinc/57/94/81/1069579481.db2.gz ISOMAJUVVIMCFH-FSSWDIPSSA-N 1 0 490.693 3.597 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OC(C)C)C1 ZINC001306782292 1069580520 /nfs/dbraw/zinc/58/05/20/1069580520.db2.gz CKMBBRLJIGTHRL-FQEVSTJZSA-N 1 0 451.619 3.682 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCCN2CCCCCC2=O)C1 ZINC001306782656 1069580996 /nfs/dbraw/zinc/58/09/96/1069580996.db2.gz DXEVTUVEJUTAGM-QFIPXVFZSA-N 1 0 452.647 3.906 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C3CC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C1 ZINC001306783759 1069583638 /nfs/dbraw/zinc/58/36/38/1069583638.db2.gz OOIAQXFHXKCIQO-IRFCIJBXSA-N 1 0 460.667 3.969 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001306784126 1069584283 /nfs/dbraw/zinc/58/42/83/1069584283.db2.gz PEDUUTNLGUQFCV-IBGZPJMESA-N 1 0 494.562 3.629 20 0 JHADRO CC(C)(C)OC(=O)N(CCNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC001311858821 1069584346 /nfs/dbraw/zinc/58/43/46/1069584346.db2.gz SAWKCBULZWCCSC-BHIFYINESA-N 1 0 456.631 3.986 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3F)n2Cc2ncccc2N(C)C)C1 ZINC001306786058 1069588495 /nfs/dbraw/zinc/58/84/95/1069588495.db2.gz SSEWKHAOLXWBMY-LJQANCHMSA-N 1 0 451.594 3.762 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2CCOc2ccc(F)c(F)c2)C1 ZINC001306784901 1069586060 /nfs/dbraw/zinc/58/60/60/1069586060.db2.gz OVHMBSGZMZTXMA-GOSISDBHSA-N 1 0 456.541 3.865 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(CS(C)(=O)=O)CC2)C1 ZINC001306785187 1069586239 /nfs/dbraw/zinc/58/62/39/1069586239.db2.gz POPSNMOGAPBWQK-GOSISDBHSA-N 1 0 480.078 3.591 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OC(F)(F)F)C1 ZINC001306785718 1069587411 /nfs/dbraw/zinc/58/74/11/1069587411.db2.gz SDFSIICTBGLUIT-KRWDZBQOSA-N 1 0 475.519 3.850 20 0 JHADRO CCc1csc(CC2CCN(C(=O)N[C@@H](CN3CC[NH+](C)CC3)c3ccccc3)CC2)n1 ZINC001311865354 1069587853 /nfs/dbraw/zinc/58/78/53/1069587853.db2.gz SRPOBLOOBXSLEE-QHCPKHFHSA-N 1 0 455.672 3.658 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C/C=C/c2ccccc2)C1 ZINC001306785960 1069587784 /nfs/dbraw/zinc/58/77/84/1069587784.db2.gz YTYQUOHOCZTBDC-FQTAANOTSA-N 1 0 459.598 3.807 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)C1 ZINC001306785828 1069587942 /nfs/dbraw/zinc/58/79/42/1069587942.db2.gz QRDPWPXKKHYHIR-NOVUIFNWSA-N 1 0 450.052 3.678 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cc(F)cc(F)c2)C1 ZINC001306785889 1069588029 /nfs/dbraw/zinc/58/80/29/1069588029.db2.gz XYEWJLPQGNRDHL-IBGZPJMESA-N 1 0 483.567 3.614 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001306785963 1069588064 /nfs/dbraw/zinc/58/80/64/1069588064.db2.gz SFXPTONPXGVKJW-IFMALSPDSA-N 1 0 494.606 3.766 20 0 JHADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC001311879529 1069593404 /nfs/dbraw/zinc/59/34/04/1069593404.db2.gz AZWHHRWAQDVFRH-DNQXCXABSA-N 1 0 456.631 3.738 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(Br)n2)C1 ZINC001306786617 1069589912 /nfs/dbraw/zinc/58/99/12/1069589912.db2.gz XNXAKCKGNGSSML-QGZVFWFLSA-N 1 0 470.419 3.714 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001306788360 1069593629 /nfs/dbraw/zinc/59/36/29/1069593629.db2.gz OOAHUUXHTVBFOL-HXUWFJFHSA-N 1 0 491.677 3.534 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCO[C@H](C)C2)C1 ZINC001306788434 1069593654 /nfs/dbraw/zinc/59/36/54/1069593654.db2.gz PHDOBULOSGIIJY-VSKRKVRLSA-N 1 0 455.647 3.861 20 0 JHADRO CCN(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001311880060 1069594051 /nfs/dbraw/zinc/59/40/51/1069594051.db2.gz HNWZKLZFVIGUIR-JOCHJYFZSA-N 1 0 458.647 3.982 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001306790027 1069596007 /nfs/dbraw/zinc/59/60/07/1069596007.db2.gz UNHDBXSSHRPNFJ-PMACEKPBSA-N 1 0 484.636 3.983 20 0 JHADRO CCCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001306791232 1069597380 /nfs/dbraw/zinc/59/73/80/1069597380.db2.gz HBJUYWYWYATYOK-HXUWFJFHSA-N 1 0 476.691 3.552 20 0 JHADRO CCCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001306791044 1069597425 /nfs/dbraw/zinc/59/74/25/1069597425.db2.gz FFLXQWJZCKFDKN-OALUTQOASA-N 1 0 457.619 3.840 20 0 JHADRO CCCN(CC)c1nnc(-c2cccc(Br)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001306791240 1069597442 /nfs/dbraw/zinc/59/74/42/1069597442.db2.gz HJGPOXDUNLFOMB-FQEVSTJZSA-N 1 0 491.478 3.887 20 0 JHADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001311896491 1069602410 /nfs/dbraw/zinc/60/24/10/1069602410.db2.gz GXNGSFNJGFCWNB-GOSISDBHSA-N 1 0 451.453 3.586 20 0 JHADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC001311894871 1069601854 /nfs/dbraw/zinc/60/18/54/1069601854.db2.gz JAUJNXKBNXUVAX-OAQYLSRUSA-N 1 0 457.018 3.765 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C(C)C)C1 ZINC001306798518 1069604449 /nfs/dbraw/zinc/60/44/49/1069604449.db2.gz ZGAFZFBTLMEWDJ-HXUWFJFHSA-N 1 0 475.707 3.761 20 0 JHADRO CN(C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001311903089 1069606638 /nfs/dbraw/zinc/60/66/38/1069606638.db2.gz TXGNZYOBQQIGEH-RPWUZVMVSA-N 1 0 450.631 3.747 20 0 JHADRO CCc1cc(N2CCC[C@H](NC(=O)N[C@H]3CCCCC[N@H+](Cc4ccccc4)C3)C2)ncn1 ZINC001311903759 1069607156 /nfs/dbraw/zinc/60/71/56/1069607156.db2.gz SBBHAOKRRAQSEA-ZEQRLZLVSA-N 1 0 450.631 3.752 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001306802100 1069607535 /nfs/dbraw/zinc/60/75/35/1069607535.db2.gz FWISTKGLBROLIZ-IBGZPJMESA-N 1 0 461.676 3.953 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001306802144 1069608093 /nfs/dbraw/zinc/60/80/93/1069608093.db2.gz GMOLXPRMIHBLEC-AZUAARDMSA-N 1 0 493.743 3.877 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001306802125 1069608148 /nfs/dbraw/zinc/60/81/48/1069608148.db2.gz GCRMLQPSGPVTHE-LPHOPBHVSA-N 1 0 465.440 3.773 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001306802680 1069609353 /nfs/dbraw/zinc/60/93/53/1069609353.db2.gz OUELXNSSQQLHMG-ZYLNGJIFSA-N 1 0 459.610 3.513 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001306802678 1069609579 /nfs/dbraw/zinc/60/95/79/1069609579.db2.gz OUELXNSSQQLHMG-WZOHSFFVSA-N 1 0 459.610 3.513 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001306802733 1069609939 /nfs/dbraw/zinc/60/99/39/1069609939.db2.gz OXRDDHKKGULGHC-HXUWFJFHSA-N 1 0 477.451 3.544 20 0 JHADRO CCO[C@@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCCCC[NH+]2CCCC2)CCOC1 ZINC001314150343 1069609972 /nfs/dbraw/zinc/60/99/72/1069609972.db2.gz CTHYFBDZWRSFMV-MZKRTTBSSA-N 1 0 469.621 3.924 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C)CC1 ZINC001306802928 1069610933 /nfs/dbraw/zinc/61/09/33/1069610933.db2.gz RTCVIPRKWKEQHK-HXUWFJFHSA-N 1 0 476.691 3.554 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C)CC1 ZINC001306802927 1069611017 /nfs/dbraw/zinc/61/10/17/1069611017.db2.gz RTCVIPRKWKEQHK-FQEVSTJZSA-N 1 0 476.691 3.554 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C(=O)NC)CC1 ZINC001306803325 1069611394 /nfs/dbraw/zinc/61/13/94/1069611394.db2.gz WAFSGLJXLSNTPC-UHFFFAOYSA-N 1 0 491.478 3.710 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccc(F)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001306803313 1069611604 /nfs/dbraw/zinc/61/16/04/1069611604.db2.gz XSCHELMEVQNXJQ-UHFFFAOYSA-N 1 0 491.677 3.678 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001306804708 1069614383 /nfs/dbraw/zinc/61/43/83/1069614383.db2.gz QREJUXLEEGDEOU-JOCHJYFZSA-N 1 0 472.634 3.552 20 0 JHADRO CCC[N@H+](CC)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001306804648 1069614409 /nfs/dbraw/zinc/61/44/09/1069614409.db2.gz PKWFPZNNGYMNKX-IFMALSPDSA-N 1 0 492.709 3.986 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001306804618 1069614485 /nfs/dbraw/zinc/61/44/85/1069614485.db2.gz MCPODWMDMHFFLT-OAQYLSRUSA-N 1 0 469.678 3.759 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001306805394 1069616357 /nfs/dbraw/zinc/61/63/57/1069616357.db2.gz UAUBVLTYUQTALE-WOJBJXKFSA-N 1 0 486.665 3.597 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cnccn2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001306805390 1069616429 /nfs/dbraw/zinc/61/64/29/1069616429.db2.gz UAUBVLTYUQTALE-PMACEKPBSA-N 1 0 486.665 3.597 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001306805858 1069617250 /nfs/dbraw/zinc/61/72/50/1069617250.db2.gz NKXLZCJDRZHMPV-UHFFFAOYSA-N 1 0 473.666 3.757 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CCC(O)(c2ccccc2)CC1 ZINC001306806895 1069619574 /nfs/dbraw/zinc/61/95/74/1069619574.db2.gz NUEPYTIIXPRAPC-UHFFFAOYSA-N 1 0 468.671 3.854 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001306806396 1069618755 /nfs/dbraw/zinc/61/87/55/1069618755.db2.gz UICIYXLWOATLOC-UHFFFAOYSA-N 1 0 467.643 3.532 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001306807491 1069621597 /nfs/dbraw/zinc/62/15/97/1069621597.db2.gz UTAYDOLSKVXODO-QFIPXVFZSA-N 1 0 450.635 3.802 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](c2ccccc2)[NH+](CC)CC)CCOC1 ZINC001314153732 1069621895 /nfs/dbraw/zinc/62/18/95/1069621895.db2.gz VKAUWERLDWDVIK-ZDWBCWQTSA-N 1 0 471.646 3.627 20 0 JHADRO 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Cc1ccc([C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001311967416 1069641833 /nfs/dbraw/zinc/64/18/33/1069641833.db2.gz IPZOETPVWKVLRL-HSZRJFAPSA-N 1 0 457.640 3.970 20 0 JHADRO CCCN(C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)[C@H]1CC[N@H+](C)C1 ZINC001311967738 1069642547 /nfs/dbraw/zinc/64/25/47/1069642547.db2.gz KKLWCLIPAKFPIS-XUZZJYLKSA-N 1 0 457.640 3.922 20 0 JHADRO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC001311982606 1069649659 /nfs/dbraw/zinc/64/96/59/1069649659.db2.gz RZKFILMOVMFEGT-HXUWFJFHSA-N 1 0 452.546 3.547 20 0 JHADRO CCOc1cc(Cn2c(-c3ccccn3)nnc2N2CCC[N@@H+](C(C)C)CC2)ccc1OC ZINC001314161472 1069648186 /nfs/dbraw/zinc/64/81/86/1069648186.db2.gz YFBAOEZCMWSGFT-UHFFFAOYSA-N 1 0 450.587 3.716 20 0 JHADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001311993594 1069656310 /nfs/dbraw/zinc/65/63/10/1069656310.db2.gz KKYFAODBFGJVNI-MOPGFXCFSA-N 1 0 456.509 3.590 20 0 JHADRO 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ZINC001312033917 1069685537 /nfs/dbraw/zinc/68/55/37/1069685537.db2.gz OWHLMTZKHJKENC-QHCPKHFHSA-N 1 0 452.574 3.625 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCc4c(ccnc4N(C)C)C3)n2CC[N@H+](C)C(C)C)cc1OC ZINC001314172011 1069688064 /nfs/dbraw/zinc/68/80/64/1069688064.db2.gz KVXOCKNJINDWMG-UHFFFAOYSA-N 1 0 493.656 3.716 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC001314172194 1069688742 /nfs/dbraw/zinc/68/87/42/1069688742.db2.gz DYZGUPQHAATWKW-OAQYLSRUSA-N 1 0 498.672 3.676 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@H](NC(C)=O)C3)n2CCC[NH+]2CCC(C)CC2)cc1OC ZINC001314173751 1069695350 /nfs/dbraw/zinc/69/53/50/1069695350.db2.gz GXWZGMBSWHDFSC-QHCPKHFHSA-N 1 0 498.672 3.579 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001314174622 1069698689 /nfs/dbraw/zinc/69/86/89/1069698689.db2.gz OIVSGYCAGFHYNY-PMACEKPBSA-N 1 0 457.619 3.698 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001307004395 1069699754 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JRPAELZVQKIYNY-CXAGYDPISA-N 1 0 453.406 3.797 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@](C)(O)[C@@H](C)CC)cc1OC ZINC001314176919 1069709227 /nfs/dbraw/zinc/70/92/27/1069709227.db2.gz OJIXPGOFORSQOY-DFBJGRDBSA-N 1 0 459.635 3.680 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC001314177491 1069709724 /nfs/dbraw/zinc/70/97/24/1069709724.db2.gz CVCGHDYTEKZKKV-HOJAQTOUSA-N 1 0 485.654 3.924 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[N@@H+]2CCCC[C@H]2CC)cc1OC ZINC001314177035 1069710011 /nfs/dbraw/zinc/71/00/11/1069710011.db2.gz AZPVODXSVONDHG-FCEUIQTBSA-N 1 0 471.646 3.824 20 0 JHADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC001312079325 1069710304 /nfs/dbraw/zinc/71/03/04/1069710304.db2.gz OLLDIKSBPNUIDP-FQEVSTJZSA-N 1 0 456.425 3.789 20 0 JHADRO CCCN(CCc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001307011723 1069713025 /nfs/dbraw/zinc/71/30/25/1069713025.db2.gz IXJDPOVAYBDVMJ-CTNGQTDRSA-N 1 0 458.676 3.870 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H](C)[NH+](CC)CC)cc1OC ZINC001314178861 1069716760 /nfs/dbraw/zinc/71/67/60/1069716760.db2.gz GXLRLHFPMHKVBN-JXFKEZNVSA-N 1 0 485.551 3.850 20 0 JHADRO CCCN(CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC001307013863 1069718747 /nfs/dbraw/zinc/71/87/47/1069718747.db2.gz RDMVKGRCXSCRRM-RTWAWAEBSA-N 1 0 485.677 3.830 20 0 JHADRO CCCN(CCn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)C(=O)OC(C)(C)C ZINC001307014247 1069720036 /nfs/dbraw/zinc/72/00/36/1069720036.db2.gz TZTDCEGERMKGND-QFIPXVFZSA-N 1 0 483.661 3.586 20 0 JHADRO CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001307017669 1069726373 /nfs/dbraw/zinc/72/63/73/1069726373.db2.gz BJBYXOFYFISNTG-DEOSSOPVSA-N 1 0 468.690 3.884 20 0 JHADRO CCOc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC001314182863 1069730346 /nfs/dbraw/zinc/73/03/46/1069730346.db2.gz 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CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccc2)C1 ZINC001307046327 1069785234 /nfs/dbraw/zinc/78/52/34/1069785234.db2.gz YJIQYALTKIKZNY-DHIUTWEWSA-N 1 0 498.672 3.955 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2ccccn2)CC1 ZINC001307046629 1069785960 /nfs/dbraw/zinc/78/59/60/1069785960.db2.gz XLTPWJYTUJGKOA-UHFFFAOYSA-N 1 0 464.614 3.911 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CSc3ccc(C)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001307046533 1069786161 /nfs/dbraw/zinc/78/61/61/1069786161.db2.gz QBPIZCLJOSGTDB-HXUWFJFHSA-N 1 0 470.687 3.668 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Br)s3)n2C[C@@H](COC)OC)CC1 ZINC001307046710 1069786209 /nfs/dbraw/zinc/78/62/09/1069786209.db2.gz ZVAFDPZZAGIXMT-INIZCTEOSA-N 1 0 486.480 3.741 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3OCC)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001307046858 1069786823 /nfs/dbraw/zinc/78/68/23/1069786823.db2.gz RZAMDIQKBWIGKL-QHAWAJNXSA-N 1 0 457.619 3.601 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001307047340 1069788969 /nfs/dbraw/zinc/78/89/69/1069788969.db2.gz YPUJTHZGKCVNCL-RBUKOAKNSA-N 1 0 498.569 3.801 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)C1 ZINC001307047378 1069789066 /nfs/dbraw/zinc/78/90/66/1069789066.db2.gz ZAEUPABTXQHRTA-QZTJIDSGSA-N 1 0 469.556 3.603 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(OCCOC)CC2)CC1 ZINC001307047638 1069790584 /nfs/dbraw/zinc/79/05/84/1069790584.db2.gz WYPXQNZNTLDKQH-DNQXCXABSA-N 1 0 491.721 3.951 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCCC[C@H](SCC)C3)nnc2[C@@]2(OCC)CCOC2)C1 ZINC001307047518 1069789832 /nfs/dbraw/zinc/78/98/32/1069789832.db2.gz UPABYGYSEXHUKZ-AWRGLXIESA-N 1 0 465.708 3.774 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCCC[C@H](SCC)C3)nnc2[C@]2(OCC)CCOC2)C1 ZINC001307047519 1069789986 /nfs/dbraw/zinc/78/99/86/1069789986.db2.gz UPABYGYSEXHUKZ-HFMPRLQTSA-N 1 0 465.708 3.774 20 0 JHADRO COC(=O)c1cnc([C@H]2CCN(C(=O)N[C@H]3[C@H](C)C[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)s1 ZINC001312222862 1069791151 /nfs/dbraw/zinc/79/11/51/1069791151.db2.gz SGGSBVJXIHLBIF-ZDWTUXFCSA-N 1 0 456.612 3.585 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](COC(C)C)C2)C1 ZINC001307047770 1069791348 /nfs/dbraw/zinc/79/13/48/1069791348.db2.gz ZQSUNDBRYIBEAY-KAOXLYBCSA-N 1 0 477.694 3.559 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001307048482 1069794062 /nfs/dbraw/zinc/79/40/62/1069794062.db2.gz CJCYPACGYMGMFG-UHFFFAOYSA-N 1 0 474.600 3.985 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001314201254 1069795229 /nfs/dbraw/zinc/79/52/29/1069795229.db2.gz VWNSULVQUIWMQA-BHIFYINESA-N 1 0 498.672 3.604 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001307049802 1069798893 /nfs/dbraw/zinc/79/88/93/1069798893.db2.gz OJRWWSZGVOBCNY-AREMUKBSSA-N 1 0 483.613 3.774 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccn3)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001307050270 1069799509 /nfs/dbraw/zinc/79/95/09/1069799509.db2.gz TYTPEZBUAKDUSE-UHFFFAOYSA-N 1 0 454.648 3.848 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccn3)n2Cc2csc([C@@H](C)OC)n2)CC1 ZINC001307050057 1069799536 /nfs/dbraw/zinc/79/95/36/1069799536.db2.gz RAMUCTWPFORBAL-QGZVFWFLSA-N 1 0 455.632 3.863 20 0 JHADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC001312230198 1069795398 /nfs/dbraw/zinc/79/53/98/1069795398.db2.gz YXBVJZSRVKUHBZ-SFTDATJTSA-N 1 0 456.537 3.670 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)cc3OC)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001307048910 1069795425 /nfs/dbraw/zinc/79/54/25/1069795425.db2.gz BNHQGHDFYZUBQH-UMSFTDKQSA-N 1 0 491.702 3.820 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2CC(C)(C)N2CCOCC2)CC1 ZINC001307049387 1069797316 /nfs/dbraw/zinc/79/73/16/1069797316.db2.gz JGOXBASFKXCQIW-UHFFFAOYSA-N 1 0 454.663 3.675 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2ccc(Br)o2)C1 ZINC001307049557 1069797950 /nfs/dbraw/zinc/79/79/50/1069797950.db2.gz OSQXUAZNFRWBDI-ZWOKBUDYSA-N 1 0 496.450 3.726 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COCC)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001307050971 1069802059 /nfs/dbraw/zinc/80/20/59/1069802059.db2.gz ISIRSGVSAFQVJL-UHFFFAOYSA-N 1 0 476.666 3.692 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CSc3ccc(C)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001307051004 1069802643 /nfs/dbraw/zinc/80/26/43/1069802643.db2.gz JEQFUDOWZKBUKC-UHFFFAOYSA-N 1 0 493.681 3.732 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CCCn2ccnc2C)CC1 ZINC001307051146 1069803220 /nfs/dbraw/zinc/80/32/20/1069803220.db2.gz XZQHCTHRTXKEOX-UHFFFAOYSA-N 1 0 489.466 3.942 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001307051671 1069805207 /nfs/dbraw/zinc/80/52/07/1069805207.db2.gz RRARDHKXXQLRMN-UXHICEINSA-N 1 0 459.610 3.979 20 0 JHADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC001312247366 1069806397 /nfs/dbraw/zinc/80/63/97/1069806397.db2.gz IQQMXJCFHIXQTC-DOTOQJQBSA-N 1 0 459.944 3.706 20 0 JHADRO C[C@@H]1C[C@H](NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312249715 1069807880 /nfs/dbraw/zinc/80/78/80/1069807880.db2.gz ABSNFYAZQNVSGL-DVECYGJZSA-N 1 0 452.574 3.527 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001307053120 1069811174 /nfs/dbraw/zinc/81/11/74/1069811174.db2.gz JLVSNGXJSHDMEV-UHFFFAOYSA-N 1 0 494.562 3.658 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001307053433 1069812274 /nfs/dbraw/zinc/81/22/74/1069812274.db2.gz NWQVYGAFMMXNBK-DEOSSOPVSA-N 1 0 496.700 3.641 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001307054258 1069815366 /nfs/dbraw/zinc/81/53/66/1069815366.db2.gz WCOPWACLBDQOEQ-OALUTQOASA-N 1 0 488.702 3.784 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CC)C1 ZINC001307054640 1069815953 /nfs/dbraw/zinc/81/59/53/1069815953.db2.gz KPFCCJYJTURJMN-PMACEKPBSA-N 1 0 457.619 3.842 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCO[C@H](C)C1 ZINC001307054787 1069816162 /nfs/dbraw/zinc/81/61/62/1069816162.db2.gz MKSAXIQLHVFTSK-SJLPKXTDSA-N 1 0 465.440 3.915 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001307054664 1069817139 /nfs/dbraw/zinc/81/71/39/1069817139.db2.gz KSNNGWLPIUIWHD-QUCCMNQESA-N 1 0 489.462 3.674 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccc(F)c2)CC1 ZINC001307055713 1069822041 /nfs/dbraw/zinc/82/20/41/1069822041.db2.gz OFIGQMHVIOZIOW-LJQANCHMSA-N 1 0 491.677 3.608 20 0 JHADRO O=C(NCCc1csc(-c2ccccc2)n1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001312264064 1069821990 /nfs/dbraw/zinc/82/19/90/1069821990.db2.gz BWXKVTNUULSMPS-GGAORHGYSA-N 1 0 450.608 3.535 20 0 JHADRO CCOc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001314206727 1069819298 /nfs/dbraw/zinc/81/92/98/1069819298.db2.gz LVDQCKBSUUWYOB-UHFFFAOYSA-N 1 0 477.613 3.683 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 ZINC001307054960 1069819523 /nfs/dbraw/zinc/81/95/23/1069819523.db2.gz HZFARLRVNZDIQV-PMACEKPBSA-N 1 0 457.619 3.569 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001307055392 1069820074 /nfs/dbraw/zinc/82/00/74/1069820074.db2.gz PGPPZGKXAISHKI-BHIFYINESA-N 1 0 498.672 3.748 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001307055146 1069820109 /nfs/dbraw/zinc/82/01/09/1069820109.db2.gz OTKFSIBNBDBTAK-KNQAVFIVSA-N 1 0 457.667 3.983 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001307056605 1069828281 /nfs/dbraw/zinc/82/82/81/1069828281.db2.gz UTDLQBOFKLOPEB-PMACEKPBSA-N 1 0 489.462 3.687 20 0 JHADRO CC(C)C[C@@H](CNC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)[NH2+][C@@H](C)c1ccccc1 ZINC001312268623 1069825843 /nfs/dbraw/zinc/82/58/43/1069825843.db2.gz AFUZNLZMHAHDNI-UMGGQSCQSA-N 1 0 456.553 3.850 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001307056471 1069826885 /nfs/dbraw/zinc/82/68/85/1069826885.db2.gz AFWHXESJFRMAPO-QFIPXVFZSA-N 1 0 468.646 3.618 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307056831 1069829235 /nfs/dbraw/zinc/82/92/35/1069829235.db2.gz CJCAGKGTTUCJSQ-FCHUYYIVSA-N 1 0 491.677 3.676 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001307057344 1069833597 /nfs/dbraw/zinc/83/35/97/1069833597.db2.gz IYGKPUIITTZPGH-BHDDXSALSA-N 1 0 490.693 3.788 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1F ZINC001307057380 1069832606 /nfs/dbraw/zinc/83/26/06/1069832606.db2.gz JIUOOMFUUAWCSO-LEWJYISDSA-N 1 0 477.650 3.610 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N(C)OC ZINC001307057417 1069835172 /nfs/dbraw/zinc/83/51/72/1069835172.db2.gz FNFUSWOIPLRXFO-QGZVFWFLSA-N 1 0 452.397 3.882 20 0 JHADRO CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001314211990 1069836115 /nfs/dbraw/zinc/83/61/15/1069836115.db2.gz FCAFRZAQNVARHW-UHFFFAOYSA-N 1 0 468.646 3.564 20 0 JHADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001312289820 1069841077 /nfs/dbraw/zinc/84/10/77/1069841077.db2.gz WQGOUTNDVXIHBO-ZNZIZOMTSA-N 1 0 451.611 3.700 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001307058338 1069839404 /nfs/dbraw/zinc/83/94/04/1069839404.db2.gz ZKYYBAPGKNNQMM-HLAWJBBLSA-N 1 0 474.694 3.770 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001307059131 1069843023 /nfs/dbraw/zinc/84/30/23/1069843023.db2.gz QQRSAIVVWYNTRE-RCZVLFRGSA-N 1 0 495.716 3.906 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc([C@@H](C)CC)n3CC3([NH+](C)C)CCCC3)CC2)n1 ZINC001314214279 1069843160 /nfs/dbraw/zinc/84/31/60/1069843160.db2.gz WZFPJFHUUNIEQA-FQEVSTJZSA-N 1 0 455.651 3.786 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC1COC(C)(C)OC1 ZINC001307059315 1069844098 /nfs/dbraw/zinc/84/40/98/1069844098.db2.gz RPARTMIEQJPLOX-QHCPKHFHSA-N 1 0 485.673 3.977 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001307059484 1069845759 /nfs/dbraw/zinc/84/57/59/1069845759.db2.gz XGBRNTWLYYLRKC-BHIFYINESA-N 1 0 490.693 3.882 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001307061363 1069852404 /nfs/dbraw/zinc/85/24/04/1069852404.db2.gz GAGHABVZALIJGS-LJQANCHMSA-N 1 0 464.536 3.952 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001307061698 1069855517 /nfs/dbraw/zinc/85/55/17/1069855517.db2.gz HMQFTPKQTPZTQC-GMAHTHKFSA-N 1 0 468.646 3.917 20 0 JHADRO C[C@H]1C[C@@H](CCNC(=O)NCC2(OCCO)CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312314934 1069857745 /nfs/dbraw/zinc/85/77/45/1069857745.db2.gz RNFDEWMFXRRRLI-PZJWPPBQSA-N 1 0 453.574 3.543 20 0 JHADRO C[C@@H]1C[C@@H](CCNC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)C[N@@H+]1Cc1ccccc1 ZINC001312315468 1069858693 /nfs/dbraw/zinc/85/86/93/1069858693.db2.gz WEPRRLNGULEHJH-ZYKOEDHHSA-N 1 0 452.574 3.873 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001307062613 1069859221 /nfs/dbraw/zinc/85/92/21/1069859221.db2.gz LALGGECTVQJPMK-BHIFYINESA-N 1 0 472.653 3.894 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CC[C@@H]1CCOC1 ZINC001314219423 1069862487 /nfs/dbraw/zinc/86/24/87/1069862487.db2.gz YQBZENIGZXOYCE-PWRODBHTSA-N 1 0 457.619 3.601 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001307063096 1069862109 /nfs/dbraw/zinc/86/21/09/1069862109.db2.gz MGVHYZREJDSLRA-YLJYHZDGSA-N 1 0 463.001 3.923 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1=O ZINC001307063799 1069863476 /nfs/dbraw/zinc/86/34/76/1069863476.db2.gz DVXWCYSACFULIP-QHCPKHFHSA-N 1 0 498.672 3.531 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCO[C@@H](C)C1 ZINC001307064628 1069867319 /nfs/dbraw/zinc/86/73/19/1069867319.db2.gz DJIMNWYVJAFCIE-FNAHDJPLSA-N 1 0 490.693 3.929 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCC[NH+]2CCC(C)CC2)CC1=O ZINC001307065257 1069869951 /nfs/dbraw/zinc/86/99/51/1069869951.db2.gz LRPCIIRXWSPMDF-UHFFFAOYSA-N 1 0 484.664 3.969 20 0 JHADRO O=C(NCc1cccc(COCC(F)(F)F)c1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001312345247 1069876630 /nfs/dbraw/zinc/87/66/30/1069876630.db2.gz AODYMKSLYJDESI-UHFFFAOYSA-N 1 0 450.505 3.872 20 0 JHADRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001312340529 1069874205 /nfs/dbraw/zinc/87/42/05/1069874205.db2.gz ITVQBIGJYBONDV-SBFWRKJZSA-N 1 0 469.651 3.839 20 0 JHADRO 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Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001307525638 1070033931 /nfs/dbraw/zinc/03/39/31/1070033931.db2.gz JVNSGUDIVILJCS-QFIPXVFZSA-N 1 0 459.594 3.960 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314276063 1070034576 /nfs/dbraw/zinc/03/45/76/1070034576.db2.gz QMDXQOMKFXQAGO-SXWKCWPCSA-N 1 0 471.694 3.902 20 0 JHADRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1OC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001307530509 1070037668 /nfs/dbraw/zinc/03/76/68/1070037668.db2.gz XZGMAQHPHDTKOT-UHFFFAOYSA-N 1 0 455.603 3.855 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314277613 1070038235 /nfs/dbraw/zinc/03/82/35/1070038235.db2.gz ZKBOAQINGKMXHE-ZDXQCDESSA-N 1 0 485.673 3.793 20 0 JHADRO COc1ccc([C@H]2CN(C(=O)NC[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)CCO2)cc1OC ZINC001312615024 1070046240 /nfs/dbraw/zinc/04/62/40/1070046240.db2.gz LRGUVXIOPPSSEE-AOYPEHQESA-N 1 0 453.583 3.699 20 0 JHADRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](C[C@@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)cc2NC1=O ZINC001307546834 1070046230 /nfs/dbraw/zinc/04/62/30/1070046230.db2.gz UFAXYWNQQREXBS-IRXDYDNUSA-N 1 0 457.571 3.558 20 0 JHADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC001312618838 1070047467 /nfs/dbraw/zinc/04/74/67/1070047467.db2.gz KTERWYBUVVADKC-QAQDUYKDSA-N 1 0 454.384 3.588 20 0 JHADRO CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001307555173 1070049420 /nfs/dbraw/zinc/04/94/20/1070049420.db2.gz OVKQACPRYMCAKW-SFHVURJKSA-N 1 0 456.493 3.732 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314282290 1070049903 /nfs/dbraw/zinc/04/99/03/1070049903.db2.gz UKYMTYJJLCEAMQ-HSALFYBXSA-N 1 0 478.682 3.642 20 0 JHADRO Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)NC[C@@H]4[N@H+](C)CCCC4(C)C)CC3)n2)cc1 ZINC001312647844 1070061706 /nfs/dbraw/zinc/06/17/06/1070061706.db2.gz HJLBDHKQYUWWJA-CTNGQTDRSA-N 1 0 454.619 3.554 20 0 JHADRO CCO[C@H](C)c1nc(CN2CCN(C(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)CC2)cs1 ZINC001312657772 1070066497 /nfs/dbraw/zinc/06/64/97/1070066497.db2.gz NMMBAUYRILICQM-WOIUINJBSA-N 1 0 459.660 3.759 20 0 JHADRO CC(C)(C)c1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@@H+]3CC[C@@H](C4CC4)C3)C2=O)cc1 ZINC001307589041 1070067756 /nfs/dbraw/zinc/06/77/56/1070067756.db2.gz RAEIGEMPNMDMNY-BWCLHNGZSA-N 1 0 455.624 3.869 20 0 JHADRO CCOCc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001314292891 1070073844 /nfs/dbraw/zinc/07/38/44/1070073844.db2.gz JVNKVRDUHCISSJ-HSZRJFAPSA-N 1 0 455.647 3.925 20 0 JHADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC001307599763 1070074085 /nfs/dbraw/zinc/07/40/85/1070074085.db2.gz STSWEHNHFZFLJK-HXUWFJFHSA-N 1 0 459.553 3.877 20 0 JHADRO CCOC(=O)c1sc2ccccc2c1CN1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC001307601811 1070076062 /nfs/dbraw/zinc/07/60/62/1070076062.db2.gz ALZUFQJETCVERM-HXUWFJFHSA-N 1 0 456.583 3.938 20 0 JHADRO CCOCc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1CC[NH+]1CCC(C)CC1 ZINC001314296575 1070080116 /nfs/dbraw/zinc/08/01/16/1070080116.db2.gz BUEPVPFCVVCFKL-FQEVSTJZSA-N 1 0 470.618 3.701 20 0 JHADRO CCCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001307604522 1070077499 /nfs/dbraw/zinc/07/74/99/1070077499.db2.gz WBJWHPYBBITYIJ-WWNPGLIZSA-N 1 0 459.631 3.855 20 0 JHADRO CCOCc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1CC1([NH+](C)C)CCCC1 ZINC001314297939 1070081396 /nfs/dbraw/zinc/08/13/96/1070081396.db2.gz LGVNPCOXRHQCDC-IBGZPJMESA-N 1 0 470.618 3.843 20 0 JHADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC001312684879 1070082000 /nfs/dbraw/zinc/08/20/00/1070082000.db2.gz KFOAXVMOOWAJAI-RBUKOAKNSA-N 1 0 451.409 3.580 20 0 JHADRO CCOCc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314298629 1070082226 /nfs/dbraw/zinc/08/22/26/1070082226.db2.gz QEEHVTCWCJSONR-UEKCHLGVSA-N 1 0 461.676 3.870 20 0 JHADRO C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001307628827 1070088838 /nfs/dbraw/zinc/08/88/38/1070088838.db2.gz CZXQAHOAMSDUGC-KRWDZBQOSA-N 1 0 452.530 3.522 20 0 JHADRO CCOCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CCC(=O)N1CCCCC1 ZINC001314301433 1070085179 /nfs/dbraw/zinc/08/51/79/1070085179.db2.gz DJYCPHSIUPALHJ-VWNXMTODSA-N 1 0 482.673 3.707 20 0 JHADRO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001307622497 1070085322 /nfs/dbraw/zinc/08/53/22/1070085322.db2.gz DPCSBQKRXXGPOR-LJQANCHMSA-N 1 0 455.908 3.693 20 0 JHADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@@H]3C[C@@]4(CCN(C(=O)OC(C)(C)C)C4)CO3)ccc2NC1=O ZINC001307626337 1070087694 /nfs/dbraw/zinc/08/76/94/1070087694.db2.gz IOCCPJLYKGTOMI-CGOGLYEHSA-N 1 0 459.587 3.863 20 0 JHADRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC001307626858 1070087763 /nfs/dbraw/zinc/08/77/63/1070087763.db2.gz ODTXBXDTQCOKBR-GJZGRUSLSA-N 1 0 457.456 3.916 20 0 JHADRO Cc1ccc(S(=O)(=O)NC[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)c2ccccc2)c(C)c1 ZINC001307626639 1070087794 /nfs/dbraw/zinc/08/77/94/1070087794.db2.gz LQZPDHOWWYJJQX-YADHBBJMSA-N 1 0 452.576 3.753 20 0 JHADRO COCCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC001307629304 1070088444 /nfs/dbraw/zinc/08/84/44/1070088444.db2.gz QEXHFKVELRHMRD-CQSZACIVSA-N 1 0 457.017 3.771 20 0 JHADRO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(Br)c2)cc(OC)c1OC ZINC001307629378 1070088676 /nfs/dbraw/zinc/08/86/76/1070088676.db2.gz GJYOFUDSIIWTLB-CYBMUJFWSA-N 1 0 458.374 3.599 20 0 JHADRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 ZINC001307631898 1070090257 /nfs/dbraw/zinc/09/02/57/1070090257.db2.gz XEJNREQTDBRBSA-GOSISDBHSA-N 1 0 453.564 3.810 20 0 JHADRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2sccc2C(N)=O)ccc1OCc1ccncc1 ZINC001307631814 1070091440 /nfs/dbraw/zinc/09/14/40/1070091440.db2.gz MMHKQFKVLYQCIK-LSDHHAIUSA-N 1 0 454.552 3.507 20 0 JHADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](c1ccccc1C)[C@H]1CCC[C@@H](C)C1 ZINC001307634092 1070092972 /nfs/dbraw/zinc/09/29/72/1070092972.db2.gz ZGLRYAHCWYKHEW-YLNUKYHNSA-N 1 0 459.612 3.747 20 0 JHADRO CCOCc1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314306650 1070094110 /nfs/dbraw/zinc/09/41/10/1070094110.db2.gz QMEFJBUSDQGGDR-PMACEKPBSA-N 1 0 471.646 3.979 20 0 JHADRO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001312732916 1070096951 /nfs/dbraw/zinc/09/69/51/1070096951.db2.gz FVFNYHJKBJJRTP-SYYKKAFVSA-N 1 0 462.610 3.759 20 0 JHADRO CCOCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001314320334 1070104653 /nfs/dbraw/zinc/10/46/53/1070104653.db2.gz CKKUJDHMFRGOJG-PMACEKPBSA-N 1 0 456.635 3.888 20 0 JHADRO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001307659284 1070107225 /nfs/dbraw/zinc/10/72/25/1070107225.db2.gz HPKSYTHXKMRTOG-FQEVSTJZSA-N 1 0 453.549 3.896 20 0 JHADRO CCOC(=O)c1c(NC(=O)CN(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)sc2c1CCC2 ZINC001307659272 1070108226 /nfs/dbraw/zinc/10/82/26/1070108226.db2.gz SFNKOSNPFAYUCM-LJQANCHMSA-N 1 0 455.624 3.948 20 0 JHADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC001307662919 1070109757 /nfs/dbraw/zinc/10/97/57/1070109757.db2.gz NJTQMEMNYVRZTC-CPNJWEJPSA-N 1 0 451.386 3.518 20 0 JHADRO CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2sccc2C)ccc1C ZINC001307667873 1070113056 /nfs/dbraw/zinc/11/30/56/1070113056.db2.gz PQHHBCRQQIQRPH-HXUWFJFHSA-N 1 0 457.621 3.785 20 0 JHADRO CC(C)c1ccc(CN2CCN(C(=O)C[NH+]3CCC(CCCn4ccnc4)CC3)CC2)cc1 ZINC001307677059 1070119461 /nfs/dbraw/zinc/11/94/61/1070119461.db2.gz VAFAPAWLBBWIDA-UHFFFAOYSA-N 1 0 451.659 3.843 20 0 JHADRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC001307675328 1070118061 /nfs/dbraw/zinc/11/80/61/1070118061.db2.gz QGSDLTWNTZULSA-GOSISDBHSA-N 1 0 452.580 3.758 20 0 JHADRO CCOCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001314330139 1070121720 /nfs/dbraw/zinc/12/17/20/1070121720.db2.gz ZEMNBSXUWZAQDK-SJLPKXTDSA-N 1 0 464.010 3.597 20 0 JHADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001307680526 1070122061 /nfs/dbraw/zinc/12/20/61/1070122061.db2.gz VGXNAHAOHXWEHU-IBGZPJMESA-N 1 0 459.384 3.977 20 0 JHADRO CCOCc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314333610 1070128720 /nfs/dbraw/zinc/12/87/20/1070128720.db2.gz JHZQUUKVFSXSOC-SVMVAKDDSA-N 1 0 475.600 3.712 20 0 JHADRO COc1cc(NC(=O)CC[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)cc(OC)c1OC ZINC001307691962 1070129081 /nfs/dbraw/zinc/12/90/81/1070129081.db2.gz DHPUZGIFCCGXHU-GOSISDBHSA-N 1 0 452.555 3.803 20 0 JHADRO OCC1(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3Br)no2)CCCC1 ZINC001307687458 1070126462 /nfs/dbraw/zinc/12/64/62/1070126462.db2.gz AORIICXACUMMKK-QAPCUYQASA-N 1 0 450.377 3.940 20 0 JHADRO OCC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)CCCC1 ZINC001307687456 1070126480 /nfs/dbraw/zinc/12/64/80/1070126480.db2.gz AORIICXACUMMKK-CRAIPNDOSA-N 1 0 450.377 3.940 20 0 JHADRO CCOCc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001314336557 1070130743 /nfs/dbraw/zinc/13/07/43/1070130743.db2.gz XBBVRZOSLRRUKN-OAQYLSRUSA-N 1 0 461.573 3.609 20 0 JHADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001307694271 1070131032 /nfs/dbraw/zinc/13/10/32/1070131032.db2.gz NIPBLGSYJNYCSL-KKSFZXQISA-N 1 0 456.530 3.842 20 0 JHADRO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001307700168 1070134190 /nfs/dbraw/zinc/13/41/90/1070134190.db2.gz ZRPKSFLIGNDYCD-AEFFLSMTSA-N 1 0 453.530 3.893 20 0 JHADRO CCC[C@@H]1CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC[N@@H+]1CCOC ZINC001312813532 1070136979 /nfs/dbraw/zinc/13/69/79/1070136979.db2.gz HNMZHZMRGLYTSD-QGZVFWFLSA-N 1 0 451.409 3.615 20 0 JHADRO CC(C)(C)CCOc1cnccc1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001312814541 1070138112 /nfs/dbraw/zinc/13/81/12/1070138112.db2.gz SVRBPZZODVWAQW-PKTZIBPZSA-N 1 0 454.615 3.579 20 0 JHADRO C[C@H]1[C@H](NC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001312815786 1070139814 /nfs/dbraw/zinc/13/98/14/1070139814.db2.gz NZXMEMBMJDEPOC-WMZHIEFXSA-N 1 0 455.002 3.861 20 0 JHADRO O=C(NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001312824038 1070143750 /nfs/dbraw/zinc/14/37/50/1070143750.db2.gz RDGLJJOQIKNFSW-VXNXHJTFSA-N 1 0 458.002 3.839 20 0 JHADRO CCOCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001314342701 1070145157 /nfs/dbraw/zinc/14/51/57/1070145157.db2.gz XNIZUFTVBGGPGK-URXFXBBRSA-N 1 0 474.694 3.554 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCOc1ccc(C)cc1 ZINC001314343087 1070145753 /nfs/dbraw/zinc/14/57/53/1070145753.db2.gz SNGCWADEBDKOTH-SZPZYZBQSA-N 1 0 471.646 3.528 20 0 JHADRO COc1ccc(C[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CC2CC2)c(OC)c1 ZINC001307722844 1070146832 /nfs/dbraw/zinc/14/68/32/1070146832.db2.gz YXALLRXIIKRULT-UHFFFAOYSA-N 1 0 458.356 3.886 20 0 JHADRO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C3CCCC3)nc2c1 ZINC001307727712 1070153070 /nfs/dbraw/zinc/15/30/70/1070153070.db2.gz JEWMCDZVDQETIT-GOSISDBHSA-N 1 0 451.589 3.795 20 0 JHADRO CCOCc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314347207 1070154332 /nfs/dbraw/zinc/15/43/32/1070154332.db2.gz WEIAXMCHOCWYDN-WOJBJXKFSA-N 1 0 478.682 3.676 20 0 JHADRO CCOCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccc(Cl)c(OC)c1 ZINC001314347707 1070155942 /nfs/dbraw/zinc/15/59/42/1070155942.db2.gz PGKSWUPTISRILT-UHFFFAOYSA-N 1 0 491.080 3.520 20 0 JHADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001307739567 1070160320 /nfs/dbraw/zinc/16/03/20/1070160320.db2.gz CMADHYNKWDWDSY-CYBMUJFWSA-N 1 0 458.531 3.797 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@@H](C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)c2ccccc2)cc1 ZINC001307742339 1070161062 /nfs/dbraw/zinc/16/10/62/1070161062.db2.gz PJYFODFKFPETGA-ZEQRLZLVSA-N 1 0 451.592 3.563 20 0 JHADRO CCOCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314349147 1070162168 /nfs/dbraw/zinc/16/21/68/1070162168.db2.gz INLSRPKOMDIVSA-DFBJGRDBSA-N 1 0 478.682 3.819 20 0 JHADRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccc(Br)cn1 ZINC001307735077 1070157983 /nfs/dbraw/zinc/15/79/83/1070157983.db2.gz UKDHZEIFZBACKZ-NSHDSACASA-N 1 0 451.390 3.563 20 0 JHADRO CCOCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001314348373 1070158230 /nfs/dbraw/zinc/15/82/30/1070158230.db2.gz AXUWUSDEPKEZDZ-HXUWFJFHSA-N 1 0 478.682 3.820 20 0 JHADRO CCOCc1ccc(CNC(=O)C[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC001307748702 1070163953 /nfs/dbraw/zinc/16/39/53/1070163953.db2.gz PAWIECOZCINJHI-QHCPKHFHSA-N 1 0 450.501 3.850 20 0 JHADRO O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001307747360 1070164044 /nfs/dbraw/zinc/16/40/44/1070164044.db2.gz YAHZUBXIUWYZKU-OAHLLOKOSA-N 1 0 453.848 3.815 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001312886230 1070167131 /nfs/dbraw/zinc/16/71/31/1070167131.db2.gz PAUSBMHZSMXWCF-JBRSBNLGSA-N 1 0 467.585 3.967 20 0 JHADRO C[C@H]([NH2+][C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001307750393 1070165771 /nfs/dbraw/zinc/16/57/71/1070165771.db2.gz WGXOWJBAFCSUIE-WZTLGTBRSA-N 1 0 455.502 3.959 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CCCOc2c(OC)cccc21 ZINC001312885044 1070167343 /nfs/dbraw/zinc/16/73/43/1070167343.db2.gz IXBNHBXGXPSSSR-KIFXHHALSA-N 1 0 453.583 3.745 20 0 JHADRO CC(C)[N@@H+](CC(=O)N1CCCCCC1)C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307751601 1070166612 /nfs/dbraw/zinc/16/66/12/1070166612.db2.gz AJMWXPSDYJJBGB-NRFANRHFSA-N 1 0 451.652 3.906 20 0 JHADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC001307759917 1070170954 /nfs/dbraw/zinc/17/09/54/1070170954.db2.gz FKYXRDPWGBXGCE-UHFFFAOYSA-N 1 0 456.634 3.966 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(CCO)[C@@H]1CCCc2ccccc21 ZINC001312886881 1070168009 /nfs/dbraw/zinc/16/80/09/1070168009.db2.gz VOUDMOAEDFJPIO-LGPLSSKUSA-N 1 0 451.611 3.605 20 0 JHADRO O=C(CC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)NC1CC1 ZINC001307756100 1070168526 /nfs/dbraw/zinc/16/85/26/1070168526.db2.gz LIWCHLBQTJIKLM-IBGZPJMESA-N 1 0 450.366 3.928 20 0 JHADRO O=C(CC[NH2+][C@@H](c1cncc(Br)c1)C1CC1)Nc1ccccc1C(=O)NC1CC1 ZINC001307766836 1070175268 /nfs/dbraw/zinc/17/52/68/1070175268.db2.gz DIWXCAYSBMLMJY-OAQYLSRUSA-N 1 0 457.372 3.806 20 0 JHADRO O=C(C[NH2+][C@H](c1cncc(Br)c1)C1CC1)NCC1(c2ccccc2)CCOCC1 ZINC001307767104 1070175368 /nfs/dbraw/zinc/17/53/68/1070175368.db2.gz GSABMFBFFOKJSA-QFIPXVFZSA-N 1 0 458.400 3.749 20 0 JHADRO CCOCc1nnc(N2CCc3ccc(Br)cc3C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001314357956 1070180581 /nfs/dbraw/zinc/18/05/81/1070180581.db2.gz XTFKSQSPNKKJBT-KRWDZBQOSA-N 1 0 462.436 3.872 20 0 JHADRO C[C@H](NC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312925315 1070183433 /nfs/dbraw/zinc/18/34/33/1070183433.db2.gz ICCWDLWZIHWQSS-ZGXWSNOMSA-N 1 0 451.652 3.664 20 0 JHADRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)n(-c2ccc(F)cc2)n1 ZINC001307801903 1070188613 /nfs/dbraw/zinc/18/86/13/1070188613.db2.gz BXFZHBQBINBLEK-QGZVFWFLSA-N 1 0 450.518 3.529 20 0 JHADRO C[NH+](C)CCCC1CCN(C(=O)NCc2noc(-c3cccc(Br)c3)n2)CC1 ZINC001312937470 1070189461 /nfs/dbraw/zinc/18/94/61/1070189461.db2.gz OWSURABWAJDIDP-UHFFFAOYSA-N 1 0 450.381 3.763 20 0 JHADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)n(-c2ccccc2F)n1 ZINC001307803474 1070189749 /nfs/dbraw/zinc/18/97/49/1070189749.db2.gz JITBJWRNESMFJA-KRWDZBQOSA-N 1 0 450.518 3.529 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001314363860 1070190264 /nfs/dbraw/zinc/19/02/64/1070190264.db2.gz DTIHAZFSZDSHNI-NHCUHLMSSA-N 1 0 478.682 3.676 20 0 JHADRO CCOCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001314366381 1070198224 /nfs/dbraw/zinc/19/82/24/1070198224.db2.gz JFLARERRHLSPLB-ACRUOGEOSA-N 1 0 476.666 3.525 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001314365957 1070196540 /nfs/dbraw/zinc/19/65/40/1070196540.db2.gz NHZKQXTYZOVNMS-OAQYLSRUSA-N 1 0 478.682 3.630 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001314365951 1070196557 /nfs/dbraw/zinc/19/65/57/1070196557.db2.gz NGWOJUASWZVJRI-OVBALRFYSA-N 1 0 487.714 3.832 20 0 JHADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H]2C1 ZINC001307817608 1070197614 /nfs/dbraw/zinc/19/76/14/1070197614.db2.gz BZBHPXOWATZKQS-ZLIFDBKOSA-N 1 0 451.411 3.899 20 0 JHADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC001307824163 1070201088 /nfs/dbraw/zinc/20/10/88/1070201088.db2.gz UKBMSMMTSCWTBO-RBUKOAKNSA-N 1 0 454.409 3.989 20 0 JHADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC001307824161 1070201155 /nfs/dbraw/zinc/20/11/55/1070201155.db2.gz UKBMSMMTSCWTBO-MOPGFXCFSA-N 1 0 454.409 3.989 20 0 JHADRO COc1cc(OC)c(NC(=O)CC[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1Cl ZINC001307838583 1070206500 /nfs/dbraw/zinc/20/65/00/1070206500.db2.gz GMGSJYVHAOZDPU-WMLDXEAASA-N 1 0 453.967 3.627 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCOc1ccc(F)c(Cl)c1 ZINC001314370700 1070207881 /nfs/dbraw/zinc/20/78/81/1070207881.db2.gz ZCNKIMFKZKKPOX-QGZVFWFLSA-N 1 0 451.974 3.751 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001307830590 1070204061 /nfs/dbraw/zinc/20/40/61/1070204061.db2.gz LYZYOVZSISHSKG-UZLBHIALSA-N 1 0 457.575 3.709 20 0 JHADRO COc1ccc([C@H](O)C[N@H+](CC(=O)N2C[C@@H](C)OC(C)(C)C2)[C@@H](C)Cc2ccccc2)cc1 ZINC001307845192 1070209474 /nfs/dbraw/zinc/20/94/74/1070209474.db2.gz RFODPGURAAVRDW-BPYKYCOYSA-N 1 0 454.611 3.688 20 0 JHADRO C[C@](Cc1ccccc1)([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)c1ccccc1 ZINC001307846770 1070209682 /nfs/dbraw/zinc/20/96/82/1070209682.db2.gz ZHVLWNIZCQZONJ-HSZRJFAPSA-N 1 0 457.983 3.674 20 0 JHADRO C[C@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001312991087 1070213814 /nfs/dbraw/zinc/21/38/14/1070213814.db2.gz FQOILDBWBKPDSI-NBGIEHNGSA-N 1 0 459.631 3.502 20 0 JHADRO CCOCc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314376065 1070215586 /nfs/dbraw/zinc/21/55/86/1070215586.db2.gz KISVPHIYWOJLEU-VXKWHMMOSA-N 1 0 474.694 3.554 20 0 JHADRO O=C(CN1CCOc2cccc(Br)c2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001307877182 1070219824 /nfs/dbraw/zinc/21/98/24/1070219824.db2.gz GCVVTRJIHBLZSP-UHFFFAOYSA-N 1 0 458.400 3.556 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)C[C@H]1c1ccc(Cl)cc1 ZINC001307882010 1070222079 /nfs/dbraw/zinc/22/20/79/1070222079.db2.gz FFVNPKQKEWLRKF-QDMVCWPOSA-N 1 0 479.017 3.945 20 0 JHADRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)C[C@H]1c1ccccc1 ZINC001307881486 1070222114 /nfs/dbraw/zinc/22/21/14/1070222114.db2.gz ZINWXZGSEKDEPA-JVSAHFFESA-N 1 0 452.551 3.732 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CC2(O)C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1(C)C ZINC001307888827 1070226952 /nfs/dbraw/zinc/22/69/52/1070226952.db2.gz XVTPLJBGZVEKEE-VVNHSLEPSA-N 1 0 453.624 3.561 20 0 JHADRO CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@H](Oc4cncc(Br)c4)C3)cc(=O)oc2c1 ZINC001307883802 1070223646 /nfs/dbraw/zinc/22/36/46/1070223646.db2.gz YIQMBAJZPQKMDK-KRWDZBQOSA-N 1 0 458.312 3.562 20 0 JHADRO CC[C@@H](NC(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F)C1CC1 ZINC001313024485 1070224606 /nfs/dbraw/zinc/22/46/06/1070224606.db2.gz LMMNRDNPSPDFOM-HXUWFJFHSA-N 1 0 455.416 3.536 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001314386502 1070233329 /nfs/dbraw/zinc/23/33/29/1070233329.db2.gz GCEPRTZILSGPIV-UHFFFAOYSA-N 1 0 498.672 3.763 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001314384810 1070230175 /nfs/dbraw/zinc/23/01/75/1070230175.db2.gz ZZSXDFQBDKREEO-JOCHJYFZSA-N 1 0 474.694 3.556 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001314387381 1070235119 /nfs/dbraw/zinc/23/51/19/1070235119.db2.gz ONVCKIAKSZVZHC-NRFANRHFSA-N 1 0 454.663 3.880 20 0 JHADRO COc1cc(NC(=O)CC[NH+]2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)cc(OC)c1OC ZINC001307910015 1070235807 /nfs/dbraw/zinc/23/58/07/1070235807.db2.gz WFYBLJHNBZZNEN-YJBOKZPZSA-N 1 0 458.559 3.502 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314389098 1070241467 /nfs/dbraw/zinc/24/14/67/1070241467.db2.gz HMFMJNOXMPNRHP-HXUWFJFHSA-N 1 0 466.552 3.500 20 0 JHADRO 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CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)c1ccc(F)cc1 ZINC001314394268 1070252138 /nfs/dbraw/zinc/25/21/38/1070252138.db2.gz SSWNIXCMYDRKAN-IBGZPJMESA-N 1 0 459.610 3.621 20 0 JHADRO CCOCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccc(C)cc1OCC ZINC001314394208 1070252194 /nfs/dbraw/zinc/25/21/94/1070252194.db2.gz RCZYYDIADDFKEK-UHFFFAOYSA-N 1 0 484.689 3.565 20 0 JHADRO CCOCc1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001314394666 1070252213 /nfs/dbraw/zinc/25/22/13/1070252213.db2.gz DFXMJHNBARSDNJ-UHFFFAOYSA-N 1 0 480.579 3.533 20 0 JHADRO C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001307942429 1070252779 /nfs/dbraw/zinc/25/27/79/1070252779.db2.gz WFZJSRZNKLLVLI-NVXWUHKLSA-N 1 0 457.562 3.534 20 0 JHADRO C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001307942432 1070253064 /nfs/dbraw/zinc/25/30/64/1070253064.db2.gz WFZJSRZNKLLVLI-RDJZCZTQSA-N 1 0 457.562 3.534 20 0 JHADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCO[C@@H](c4cccc(Cl)c4)[C@@H]3C)CC2)cc1 ZINC001307942877 1070253098 /nfs/dbraw/zinc/25/30/98/1070253098.db2.gz ZDIHLPFSCNNESM-RXFWQSSRSA-N 1 0 472.029 3.845 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NCCc2ccc(OC)nc2)cc1 ZINC001313111816 1070254057 /nfs/dbraw/zinc/25/40/57/1070254057.db2.gz BLHHAIZEDZZNKZ-LOSJGSFVSA-N 1 0 460.578 3.609 20 0 JHADRO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC001313118110 1070256390 /nfs/dbraw/zinc/25/63/90/1070256390.db2.gz DFDHANNXLBUVMS-FQEVSTJZSA-N 1 0 455.018 3.838 20 0 JHADRO COc1ccc(OC)c([C@@H](O)CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1 ZINC001313123666 1070258587 /nfs/dbraw/zinc/25/85/87/1070258587.db2.gz HSWPXBGNLASFBZ-MOPGFXCFSA-N 1 0 456.370 3.646 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)CC1 ZINC001313122105 1070258843 /nfs/dbraw/zinc/25/88/43/1070258843.db2.gz ZENBIDRUIMHVTC-ADHNFCLRSA-N 1 0 456.631 3.986 20 0 JHADRO CCOCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1Cc1ccccc1Cl ZINC001314399702 1070260359 /nfs/dbraw/zinc/26/03/59/1070260359.db2.gz ZSQRNPUZJBRKII-PMACEKPBSA-N 1 0 461.054 3.511 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@H](O)c2cccc(OC)c2)cc1 ZINC001313131724 1070262215 /nfs/dbraw/zinc/26/22/15/1070262215.db2.gz AOJQSPJTHKYNCJ-VJGNERBWSA-N 1 0 475.589 3.705 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CC[N@H+](CC)C1CC1 ZINC001314408865 1070273598 /nfs/dbraw/zinc/27/35/98/1070273598.db2.gz QFLCUDVLCBKIFD-HXUWFJFHSA-N 1 0 451.974 3.669 20 0 JHADRO COC(=O)c1c(C)c(C)sc1NC(=O)CN1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308010289 1070278232 /nfs/dbraw/zinc/27/82/32/1070278232.db2.gz ZLXLNMIHRGNZTD-DQEYMECFSA-N 1 0 455.624 3.934 20 0 JHADRO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001308041382 1070289805 /nfs/dbraw/zinc/28/98/05/1070289805.db2.gz WJXLDTIAWGAYNN-CQSZACIVSA-N 1 0 452.386 3.910 20 0 JHADRO C[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001308042894 1070290125 /nfs/dbraw/zinc/29/01/25/1070290125.db2.gz FCFLICWFMGSFHW-UHFFFAOYSA-N 1 0 453.649 3.608 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001314421837 1070294972 /nfs/dbraw/zinc/29/49/72/1070294972.db2.gz QPVYQIXNPVWFNT-YKSBVNFPSA-N 1 0 464.614 3.905 20 0 JHADRO CC(C)(C)Oc1cccc(CNC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001313240109 1070302457 /nfs/dbraw/zinc/30/24/57/1070302457.db2.gz AFBATHKZUUNMNR-XMMPIXPASA-N 1 0 450.627 3.966 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001314423750 1070299426 /nfs/dbraw/zinc/29/94/26/1070299426.db2.gz YWFMNUYSWVDTOU-IBGZPJMESA-N 1 0 457.619 3.700 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001314427478 1070306933 /nfs/dbraw/zinc/30/69/33/1070306933.db2.gz YMSHRXNSAFHYNR-XMMPIXPASA-N 1 0 499.700 3.962 20 0 JHADRO Cc1cccc(C)c1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308079269 1070305937 /nfs/dbraw/zinc/30/59/37/1070305937.db2.gz YCYYPJRUQJNJQH-SZPZYZBQSA-N 1 0 456.631 3.790 20 0 JHADRO COC(=O)c1ccc2[nH]cc(C3CC[NH+](Cc4cccc(S(=O)(=O)N(C)C)c4)CC3)c2c1 ZINC001308094380 1070309491 /nfs/dbraw/zinc/30/94/91/1070309491.db2.gz FYYGHKNCHUPAQG-UHFFFAOYSA-N 1 0 455.580 3.584 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001314428650 1070310155 /nfs/dbraw/zinc/31/01/55/1070310155.db2.gz GFVNHNDJNYEELQ-RDPSFJRHSA-N 1 0 466.605 3.959 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCC[NH+]2CCOCC2)C1 ZINC001314428942 1070310252 /nfs/dbraw/zinc/31/02/52/1070310252.db2.gz FBEDAISSRKZRKM-LJQANCHMSA-N 1 0 492.462 3.683 20 0 JHADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCC(C)(C(=O)OC(C)(C)C)CC2)CCOCC1 ZINC001313262964 1070309158 /nfs/dbraw/zinc/30/91/58/1070309158.db2.gz FKGBZGCYWPYWQC-UHFFFAOYSA-N 1 0 459.631 3.821 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001308106842 1070314106 /nfs/dbraw/zinc/31/41/06/1070314106.db2.gz GHMACAUNOFRVMF-KRWDZBQOSA-N 1 0 459.370 3.714 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001314431425 1070314739 /nfs/dbraw/zinc/31/47/39/1070314739.db2.gz VXERUWKJTFHGJC-LNRXMEIDSA-N 1 0 490.693 3.644 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)C)C1 ZINC001314431593 1070315280 /nfs/dbraw/zinc/31/52/80/1070315280.db2.gz QXYBFTYQRYLXKI-HSZRJFAPSA-N 1 0 454.663 3.552 20 0 JHADRO CC1CCN(Cc2csc(NC(=O)C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)n2)CC1 ZINC001308116585 1070318617 /nfs/dbraw/zinc/31/86/17/1070318617.db2.gz APCFVBPFORQDGS-QFIPXVFZSA-N 1 0 451.036 3.550 20 0 JHADRO CC[C@H](NC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)c1cc(F)ccc1OC ZINC001313317840 1070325837 /nfs/dbraw/zinc/32/58/37/1070325837.db2.gz DTRSSSZCCCZBKT-NRFANRHFSA-N 1 0 458.578 3.758 20 0 JHADRO CCC[C@](C)([NH2+]CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1ccccc1 ZINC001308155344 1070330343 /nfs/dbraw/zinc/33/03/43/1070330343.db2.gz YFBMTWFDHLOIIR-ATOQVSERSA-N 1 0 452.580 3.539 20 0 JHADRO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@]1(CO)CC[C@@H](C)c3ccccc31)C[C@H](C)CC2 ZINC001308156993 1070330561 /nfs/dbraw/zinc/33/05/61/1070330561.db2.gz AHHGWXKWZQDIJL-RKPUJPDHSA-N 1 0 456.608 3.973 20 0 JHADRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)[C@@H]1C ZINC001308156421 1070331416 /nfs/dbraw/zinc/33/14/16/1070331416.db2.gz OFLXUDREOQKDSV-NRAIQUKZSA-N 1 0 458.599 3.641 20 0 JHADRO C[C@H]1CC[C@@](CO)([NH2+]CC(=O)Nc2ccc(I)cc2)c2ccccc21 ZINC001308159169 1070332498 /nfs/dbraw/zinc/33/24/98/1070332498.db2.gz XAIZHZRKEHWSOA-XOBRGWDASA-N 1 0 450.320 3.604 20 0 JHADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C)C(=O)NC(=O)NC1CCCCC1 ZINC001308171118 1070335105 /nfs/dbraw/zinc/33/51/05/1070335105.db2.gz LRDKGHHEFOQBNS-GDAAHCPNSA-N 1 0 450.624 3.547 20 0 JHADRO Fc1cc(Br)c(I)cc1CNC1CC[NH+](C2CC2)CC1 ZINC001308188425 1070338686 /nfs/dbraw/zinc/33/86/86/1070338686.db2.gz OOKWBNLMICWZCK-UHFFFAOYSA-N 1 0 453.137 3.909 20 0 JHADRO Fc1ccc(I)c(F)c1C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC001308190841 1070338779 /nfs/dbraw/zinc/33/87/79/1070338779.db2.gz NGNKRPLDNAHBOE-SFHVURJKSA-N 1 0 458.290 3.733 20 0 JHADRO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC001313368367 1070338944 /nfs/dbraw/zinc/33/89/44/1070338944.db2.gz FPDUNCZTAPIYDY-INIZCTEOSA-N 1 0 451.409 3.541 20 0 JHADRO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001313367442 1070339152 /nfs/dbraw/zinc/33/91/52/1070339152.db2.gz YPVZGSWBZXJROU-GMQQYTKMSA-N 1 0 470.617 3.653 20 0 JHADRO COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c2C)c1 ZINC001313386503 1070344317 /nfs/dbraw/zinc/34/43/17/1070344317.db2.gz YQKYRWQRAPKWNP-REWPJTCUSA-N 1 0 457.619 3.557 20 0 JHADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NCC[C@@H]2C[C@H]2Cc2ccccc2)CC1 ZINC001313376680 1070340272 /nfs/dbraw/zinc/34/02/72/1070340272.db2.gz ACVSDIMMDQHCAU-DNQXCXABSA-N 1 0 450.627 3.728 20 0 JHADRO O=C(c1ccc(C[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)cc1)N1CCNC(=O)C1 ZINC001308208407 1070340925 /nfs/dbraw/zinc/34/09/25/1070340925.db2.gz AUIXDWSABHJMMA-DAXSKMNVSA-N 1 0 455.558 3.641 20 0 JHADRO COc1ccc(C[NH2+][C@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c(OC)c1OC ZINC001308208052 1070341211 /nfs/dbraw/zinc/34/12/11/1070341211.db2.gz SGDLTDKXWJKGLK-SFHVURJKSA-N 1 0 450.576 3.751 20 0 JHADRO CCOCCC1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001314448564 1070342314 /nfs/dbraw/zinc/34/23/14/1070342314.db2.gz NGBCAEYIEBGQHP-VXKWHMMOSA-N 1 0 477.694 3.910 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001308256382 1070346857 /nfs/dbraw/zinc/34/68/57/1070346857.db2.gz MVMQQQJSXGPOMJ-VQTJNVASSA-N 1 0 451.633 3.513 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001313400813 1070348443 /nfs/dbraw/zinc/34/84/43/1070348443.db2.gz IAHFYZORYQYUPX-LGKPFJOYSA-N 1 0 456.631 3.938 20 0 JHADRO CC(C)(C[NH2+]C1CCN(c2nccs2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC001308270220 1070349496 /nfs/dbraw/zinc/34/94/96/1070349496.db2.gz XLTNLOUKHIPHSX-UHFFFAOYSA-N 1 0 458.447 3.717 20 0 JHADRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)ccc1OCC(=O)Nc1ccccc1 ZINC001308274089 1070349973 /nfs/dbraw/zinc/34/99/73/1070349973.db2.gz HUALTKKUYJIBKX-RBBKRZOGSA-N 1 0 453.583 3.839 20 0 JHADRO Cc1cc(Cl)ccc1Oc1ccc(F)cc1C[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC001308298079 1070353910 /nfs/dbraw/zinc/35/39/10/1070353910.db2.gz NKATUBMGUDJNLH-UHFFFAOYSA-N 1 0 453.923 3.777 20 0 JHADRO Cc1cc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(Br)cc1F ZINC001308278773 1070350394 /nfs/dbraw/zinc/35/03/94/1070350394.db2.gz HIDHXFZSTAJPSN-UHFFFAOYSA-N 1 0 455.393 3.981 20 0 JHADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC001308279491 1070350460 /nfs/dbraw/zinc/35/04/60/1070350460.db2.gz PULDKQYTMSMTQW-OAHLLOKOSA-N 1 0 455.347 3.746 20 0 JHADRO CCOCCCCn1c(-c2cccn2C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001314453205 1070351974 /nfs/dbraw/zinc/35/19/74/1070351974.db2.gz LGMOQXXOYLQILX-UHFFFAOYSA-N 1 0 454.594 3.952 20 0 JHADRO CCc1cc(N2CCC([NH2+]Cc3c(F)ccc(I)c3F)CC2)ncn1 ZINC001308302986 1070354294 /nfs/dbraw/zinc/35/42/94/1070354294.db2.gz CHKRMRGXDQMWCT-UHFFFAOYSA-N 1 0 458.294 3.680 20 0 JHADRO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](c2nccn2C)c2ccc(F)c(F)c2)c1 ZINC001313418240 1070353463 /nfs/dbraw/zinc/35/34/63/1070353463.db2.gz IOJCPHMKGDLCCT-QFIPXVFZSA-N 1 0 457.525 3.570 20 0 JHADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)C2)c1 ZINC001308329204 1070357340 /nfs/dbraw/zinc/35/73/40/1070357340.db2.gz SDXABOPBDYKDQX-NRFANRHFSA-N 1 0 453.583 3.921 20 0 JHADRO Cn1ccnc1[C@H](NC(=O)N1CCCN(Cc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC001313421463 1070354983 /nfs/dbraw/zinc/35/49/83/1070354983.db2.gz PHXQAEGDQOBRPY-JOCHJYFZSA-N 1 0 457.500 3.844 20 0 JHADRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc(I)c(Br)cc1F ZINC001308323004 1070356452 /nfs/dbraw/zinc/35/64/52/1070356452.db2.gz YVGZRDVRHCCNDL-VFZGTOFNSA-N 1 0 453.137 3.765 20 0 JHADRO CCOCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001314459532 1070363322 /nfs/dbraw/zinc/36/33/22/1070363322.db2.gz ZDRPWYXPHOFEOK-UHFFFAOYSA-N 1 0 462.436 3.975 20 0 JHADRO CCOc1cc(C[NH2+]CC2(OC)CCCCC2)cc(Br)c1OCC(=O)N(C)C ZINC001308377946 1070364799 /nfs/dbraw/zinc/36/47/99/1070364799.db2.gz OWQKTTSMLPTEDN-UHFFFAOYSA-N 1 0 457.409 3.754 20 0 JHADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC001308349774 1070360333 /nfs/dbraw/zinc/36/03/33/1070360333.db2.gz HYZZTSXMBRBNSL-CRAIPNDOSA-N 1 0 455.393 3.518 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCCO1 ZINC001313447153 1070365345 /nfs/dbraw/zinc/36/53/45/1070365345.db2.gz IGNGLHYOZYPUMY-RBUKOAKNSA-N 1 0 479.467 3.926 20 0 JHADRO CCOCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C 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CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nn2)C1 ZINC001308564424 1070390340 /nfs/dbraw/zinc/39/03/40/1070390340.db2.gz LNPROPPQEKOBRE-OAHLLOKOSA-N 1 0 459.513 3.837 20 0 JHADRO CC[N@@H+](Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1)C[C@@H]1COc2ccccc2O1 ZINC001308570284 1070391801 /nfs/dbraw/zinc/39/18/01/1070391801.db2.gz LTELWXJRTTXUKJ-HXUWFJFHSA-N 1 0 457.571 3.999 20 0 JHADRO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(N3CCC(C(=O)OC(C)(C)C)CC3)o2)CC1 ZINC001308578141 1070394286 /nfs/dbraw/zinc/39/42/86/1070394286.db2.gz YKOOFYOKLKLGBP-JOCHJYFZSA-N 1 0 458.603 3.517 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC=C(C)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001313456534 1070396317 /nfs/dbraw/zinc/39/63/17/1070396317.db2.gz YEKLTHBNMYWCEV-UHFFFAOYSA-N 1 0 463.630 3.809 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001313457978 1070400929 /nfs/dbraw/zinc/40/09/29/1070400929.db2.gz QVWXWGWNRJFBKW-CTNGQTDRSA-N 1 0 458.626 3.760 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001313458435 1070403041 /nfs/dbraw/zinc/40/30/41/1070403041.db2.gz BNKXICIDMVTFPO-FYYLOGMGSA-N 1 0 482.673 3.817 20 0 JHADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cnn1C ZINC001308620482 1070403395 /nfs/dbraw/zinc/40/33/95/1070403395.db2.gz WBJRXMMQNYNPBB-RXVVDRJESA-N 1 0 456.587 3.978 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCC[N@@H+]2CCC)C1 ZINC001313459297 1070405917 /nfs/dbraw/zinc/40/59/17/1070405917.db2.gz GSMTZOMXRZUJNV-PKTZIBPZSA-N 1 0 482.673 3.961 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)c2cc(C)oc2C)C[C@H]1CC ZINC001314494132 1070409867 /nfs/dbraw/zinc/40/98/67/1070409867.db2.gz NOIPPJGWWMFFIE-NLFFAJNJSA-N 1 0 461.651 3.630 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCn3cc(C)nc32)C[C@@H]1CC ZINC001314494949 1070411788 /nfs/dbraw/zinc/41/17/88/1070411788.db2.gz UQCYXEYUVADOMY-SFTDATJTSA-N 1 0 457.667 3.595 20 0 JHADRO 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CCCNC(=O)[C@@H]1CCCN(c2nnc(C3CCC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001313464137 1070428163 /nfs/dbraw/zinc/42/81/63/1070428163.db2.gz RPKYGHCJIJGLPC-PKTZIBPZSA-N 1 0 452.647 3.900 20 0 JHADRO CCOC1CC(C[NH2+][C@H](C)C[C@H]2CCCCCN2C(=O)OC(C)(C)C)(N2CCOCC2)C1 ZINC001308720370 1070425211 /nfs/dbraw/zinc/42/52/11/1070425211.db2.gz LMUOPFLXRWAWCP-AMABAVIUSA-N 1 0 453.668 3.804 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC001308726496 1070426026 /nfs/dbraw/zinc/42/60/26/1070426026.db2.gz IHVKGNRYPQDRPV-HNNXBMFYSA-N 1 0 450.523 3.846 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1(C)C ZINC001308727382 1070426699 /nfs/dbraw/zinc/42/66/99/1070426699.db2.gz TWTYPFRYIZLKTE-HOTGVXAUSA-N 1 0 450.523 3.890 20 0 JHADRO Cn1ncc(CNC(=O)OC(C)(C)C)c1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001308745440 1070429382 /nfs/dbraw/zinc/42/93/82/1070429382.db2.gz XDUKYSILLCIAJP-GOSISDBHSA-N 1 0 451.575 3.610 20 0 JHADRO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(OC)cc3OCc3cccnc3)CC2)c1 ZINC001308773243 1070435602 /nfs/dbraw/zinc/43/56/02/1070435602.db2.gz GUKACFPKVJRMIU-UHFFFAOYSA-N 1 0 450.539 3.880 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC[N@H+](CCC)C2)C1 ZINC001313467398 1070443302 /nfs/dbraw/zinc/44/33/02/1070443302.db2.gz YOYGTDPGJCLJKS-ISKFKSNPSA-N 1 0 466.674 3.652 20 0 JHADRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001308811654 1070442055 /nfs/dbraw/zinc/44/20/55/1070442055.db2.gz NRUJBSDYMWQTIU-NJYVYQBISA-N 1 0 451.633 3.643 20 0 JHADRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001308811652 1070442102 /nfs/dbraw/zinc/44/21/02/1070442102.db2.gz NRUJBSDYMWQTIU-HBMCJLEFSA-N 1 0 451.633 3.643 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC001313467911 1070445409 /nfs/dbraw/zinc/44/54/09/1070445409.db2.gz GWTXTHDPQRACLO-NRFANRHFSA-N 1 0 456.635 3.964 20 0 JHADRO 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CCCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313474781 1070473292 /nfs/dbraw/zinc/47/32/92/1070473292.db2.gz LTGQOGHYNPKIDL-FGZHOGPDSA-N 1 0 495.716 3.763 20 0 JHADRO CCCNC(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001313478006 1070487300 /nfs/dbraw/zinc/48/73/00/1070487300.db2.gz ZONKBGBSTHRGBV-UHFFFAOYSA-N 1 0 490.599 3.918 20 0 JHADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C)Cc1ccccc1 ZINC001309032775 1070497656 /nfs/dbraw/zinc/49/76/56/1070497656.db2.gz VGHANLZVHNTFOX-IBGZPJMESA-N 1 0 453.004 3.666 20 0 JHADRO CCCNC(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001313484461 1070500432 /nfs/dbraw/zinc/50/04/32/1070500432.db2.gz QZUNYOICYAIKQL-QFIPXVFZSA-N 1 0 472.703 3.939 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314519879 1070503156 /nfs/dbraw/zinc/50/31/56/1070503156.db2.gz BZNPREHXPZVQBS-OALUTQOASA-N 1 0 497.656 3.527 20 0 JHADRO 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O=S(=O)(CCc1ccccc1Br)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001309112220 1070546081 /nfs/dbraw/zinc/54/60/81/1070546081.db2.gz FCDLCVLTQXQKOP-LJQANCHMSA-N 1 0 451.430 3.823 20 0 JHADRO CCCOc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC001313508171 1070554416 /nfs/dbraw/zinc/55/44/16/1070554416.db2.gz POAUXDGIVOQGGB-JOCHJYFZSA-N 1 0 471.646 3.796 20 0 JHADRO CCCOc1ccc(Cn2c(C(C)C)nnc2N2CC[NH+](CC3CCOCC3)CC2)cc1OC ZINC001313511193 1070561659 /nfs/dbraw/zinc/56/16/59/1070561659.db2.gz SKNFXARFQLKMRD-UHFFFAOYSA-N 1 0 471.646 3.796 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001313513080 1070565985 /nfs/dbraw/zinc/56/59/85/1070565985.db2.gz DKOWKIOGPFOTOM-VWPQPMDRSA-N 1 0 471.646 3.682 20 0 JHADRO O=S(=O)(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cccnc1OCC(F)F ZINC001309164893 1070580815 /nfs/dbraw/zinc/58/08/15/1070580815.db2.gz ZNKQEXZDOKNTCG-UHFFFAOYSA-N 1 0 459.946 3.569 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC001309182903 1070590331 /nfs/dbraw/zinc/59/03/31/1070590331.db2.gz HPGQRQGHBPAGKT-YJBOKZPZSA-N 1 0 458.049 3.879 20 0 JHADRO CC[S@@](=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001314580093 1070591282 /nfs/dbraw/zinc/59/12/82/1070591282.db2.gz QXYDVPIVSAXLMU-UUWRZZSWSA-N 1 0 487.714 3.945 20 0 JHADRO CC[S@](=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001314580145 1070591932 /nfs/dbraw/zinc/59/19/32/1070591932.db2.gz SFIONGHQTXYXQS-YTTGMZPUSA-N 1 0 480.078 3.734 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001313525062 1070597879 /nfs/dbraw/zinc/59/78/79/1070597879.db2.gz YVIREWWINUSWRI-PKTZIBPZSA-N 1 0 474.694 3.697 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCCC2)CC1 ZINC001313526463 1070600576 /nfs/dbraw/zinc/60/05/76/1070600576.db2.gz KTKSGZFLXAMMEI-IBGZPJMESA-N 1 0 479.467 3.927 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC2([NH+](C)C)CCC2)n1 ZINC001314584521 1070602489 /nfs/dbraw/zinc/60/24/89/1070602489.db2.gz UQQNFJQERISCQA-SJORKVTESA-N 1 0 463.652 3.838 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCC2)C1 ZINC001314587404 1070610805 /nfs/dbraw/zinc/61/08/05/1070610805.db2.gz AMONFPFXTJUNSA-RBUKOAKNSA-N 1 0 457.648 3.522 20 0 JHADRO CCSc1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC([NH2+]C(C)C)CC2)ccn1 ZINC001314587931 1070612118 /nfs/dbraw/zinc/61/21/18/1070612118.db2.gz DCTVTMJXOHPDIW-UGKGYDQZSA-N 1 0 474.675 3.524 20 0 JHADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(F)cc1C ZINC001309221274 1070621157 /nfs/dbraw/zinc/62/11/57/1070621157.db2.gz YNUZOHIYWOBLDK-YWZLYKJASA-N 1 0 454.589 3.734 20 0 JHADRO CCCOCc1ccccc1Cn1c(N2CC[NH+](C3CCOCC3)CC2)nnc1C(C)(C)C ZINC001313532291 1070617492 /nfs/dbraw/zinc/61/74/92/1070617492.db2.gz CRPJNRRJVLWUBZ-UHFFFAOYSA-N 1 0 455.647 3.852 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001314590427 1070619180 /nfs/dbraw/zinc/61/91/80/1070619180.db2.gz XVBGPLNSWJYEOW-VAMGGRTRSA-N 1 0 474.675 3.957 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001314592362 1070624707 /nfs/dbraw/zinc/62/47/07/1070624707.db2.gz DIMGUCLDQMHUEE-DOIPELPJSA-N 1 0 456.660 3.643 20 0 JHADRO CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3cnccn3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001314592568 1070625316 /nfs/dbraw/zinc/62/53/16/1070625316.db2.gz AFBUWVALUBQAKW-RTWAWAEBSA-N 1 0 451.644 3.955 20 0 JHADRO CCS[C@H]1CC[C@H](N(C)c2nnc(-c3cnccn3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001314592570 1070626106 /nfs/dbraw/zinc/62/61/06/1070626106.db2.gz AFBUWVALUBQAKW-SFTDATJTSA-N 1 0 451.644 3.955 20 0 JHADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC001309235387 1070632694 /nfs/dbraw/zinc/63/26/94/1070632694.db2.gz JCLGQBJWJFVEJN-KRWDZBQOSA-N 1 0 453.967 3.580 20 0 JHADRO CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3noc4c3COCC4)n2CC[N@H+](CC)C(C)C)C1 ZINC001314598208 1070643296 /nfs/dbraw/zinc/64/32/96/1070643296.db2.gz LFNNJCXJIQCOIJ-MSOLQXFVSA-N 1 0 462.664 3.847 20 0 JHADRO CCS[C@H]1CC[C@H](N(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001314599949 1070648501 /nfs/dbraw/zinc/64/85/01/1070648501.db2.gz ONWDMQPYFPYUFO-FPOVZHCZSA-N 1 0 475.707 3.678 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001314604989 1070661239 /nfs/dbraw/zinc/66/12/39/1070661239.db2.gz VPCKKXPBAWXTEP-REWPJTCUSA-N 1 0 460.717 3.813 20 0 JHADRO Cc1ccc(S(=O)(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1C(=O)OC(C)C ZINC001309283817 1070669069 /nfs/dbraw/zinc/66/90/69/1070669069.db2.gz WCJLOUOUZUKEJD-WOJBJXKFSA-N 1 0 458.624 3.995 20 0 JHADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)C1 ZINC001309297080 1070678805 /nfs/dbraw/zinc/67/88/05/1070678805.db2.gz NRPPWHQVHKSFIA-GOEBONIOSA-N 1 0 456.431 3.677 20 0 JHADRO COC(=O)CN(CC(C)C)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309297630 1070679299 /nfs/dbraw/zinc/67/92/99/1070679299.db2.gz RMUHJSUUDLPHRV-XZOQPEGZSA-N 1 0 479.042 3.769 20 0 JHADRO CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001313571530 1070685313 /nfs/dbraw/zinc/68/53/13/1070685313.db2.gz XWINGFUUZSTZGQ-LJQANCHMSA-N 1 0 465.067 3.623 20 0 JHADRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c(Br)c1 ZINC001309310116 1070688889 /nfs/dbraw/zinc/68/88/89/1070688889.db2.gz ORNUVGXGKFOQNF-ZDUSSCGKSA-N 1 0 459.793 3.929 20 0 JHADRO CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313580850 1070700357 /nfs/dbraw/zinc/70/03/57/1070700357.db2.gz YJBZFZBDHSEDQU-IEBWSBKVSA-N 1 0 498.093 3.673 20 0 JHADRO CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCSC1)C(C)C ZINC001313577008 1070694211 /nfs/dbraw/zinc/69/42/11/1070694211.db2.gz JHAXOVVFZKZDHC-QFIPXVFZSA-N 1 0 465.067 3.534 20 0 JHADRO Cc1cnn(-c2ccc(S(=O)(=O)NCC[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cc2F)c1 ZINC001309322806 1070698064 /nfs/dbraw/zinc/69/80/64/1070698064.db2.gz QEDRSGWXUGDLIJ-TZIWHRDSSA-N 1 0 456.587 3.899 20 0 JHADRO CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CC[N@H+](C)C1)[C@H](C)C1CCC1 ZINC001313581363 1070701553 /nfs/dbraw/zinc/70/15/53/1070701553.db2.gz HHIAJDGCLWWBPG-WAIKUNEKSA-N 1 0 492.462 3.798 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314623218 1070704974 /nfs/dbraw/zinc/70/49/74/1070704974.db2.gz CXIHIZJSGFDEHA-RTWAWAEBSA-N 1 0 490.693 3.740 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCC2)C1 ZINC001314623517 1070705567 /nfs/dbraw/zinc/70/55/67/1070705567.db2.gz DYCVCBJUFVSWAF-NRFANRHFSA-N 1 0 454.619 3.877 20 0 JHADRO O=S(=O)(c1cc(Cl)ccc1OCC1CC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001309339714 1070709503 /nfs/dbraw/zinc/70/95/03/1070709503.db2.gz BKHNEZAAHNVMMH-UHFFFAOYSA-N 1 0 457.036 3.642 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(C)C ZINC001313587727 1070714004 /nfs/dbraw/zinc/71/40/04/1070714004.db2.gz LMJTZWXELTWKIH-OAQYLSRUSA-N 1 0 455.006 3.843 20 0 JHADRO C[C@H]1C[NH+](CCOc2ccc(CCNS(=O)(=O)Cc3ccc(F)cc3F)cc2)C[C@@H]1C ZINC001309355695 1070718259 /nfs/dbraw/zinc/71/82/59/1070718259.db2.gz JCJCCLWIMXJAKE-ROUUACIJSA-N 1 0 452.567 3.594 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCCCO2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001314628492 1070724320 /nfs/dbraw/zinc/72/43/20/1070724320.db2.gz IXTCLVFVWIURSD-YADHBBJMSA-N 1 0 472.678 3.645 20 0 JHADRO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC[NH+]1CCC(C)CC1)[C@@H](C)C1CCC1 ZINC001313602926 1070725693 /nfs/dbraw/zinc/72/56/93/1070725693.db2.gz BXBLFCRDGPGALX-RBBKRZOGSA-N 1 0 465.708 3.707 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N(C)[C@@H]2CCc3ccccc32)nnc1C(C)(C)C ZINC001314629420 1070727447 /nfs/dbraw/zinc/72/74/47/1070727447.db2.gz PDFNGTDOWWWWSB-FGZHOGPDSA-N 1 0 452.647 3.642 20 0 JHADRO CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1)C(C)C ZINC001313604025 1070727514 /nfs/dbraw/zinc/72/75/14/1070727514.db2.gz ICORHSJPVSIZJC-OAQYLSRUSA-N 1 0 454.667 3.951 20 0 JHADRO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001313607494 1070731323 /nfs/dbraw/zinc/73/13/23/1070731323.db2.gz CYPXWIUXTKILJT-RTWAWAEBSA-N 1 0 478.682 3.942 20 0 JHADRO CN(C)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314632617 1070735833 /nfs/dbraw/zinc/73/58/33/1070735833.db2.gz XQBHFAXHIODKCD-NRFANRHFSA-N 1 0 482.032 3.573 20 0 JHADRO CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001313614244 1070737821 /nfs/dbraw/zinc/73/78/21/1070737821.db2.gz PVXCUVKJSJXDIK-SFHLNBCPSA-N 1 0 493.743 3.700 20 0 JHADRO CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001313614246 1070737839 /nfs/dbraw/zinc/73/78/39/1070737839.db2.gz PVXCUVKJSJXDIK-ZVDOUQERSA-N 1 0 493.743 3.700 20 0 JHADRO CN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCSC1 ZINC001314647112 1070748804 /nfs/dbraw/zinc/74/88/04/1070748804.db2.gz LHCHLOCUWVSIEJ-UNMCSNQZSA-N 1 0 491.727 3.801 20 0 JHADRO CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CC[NH+](C(C)C)CC1)C(C)C ZINC001313621594 1070749395 /nfs/dbraw/zinc/74/93/95/1070749395.db2.gz PLDGBMNXRILURM-UHFFFAOYSA-N 1 0 450.027 3.981 20 0 JHADRO CCN(c1nnc(CSc2ccccc2OC)n1CCN1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC001313620773 1070747269 /nfs/dbraw/zinc/74/72/69/1070747269.db2.gz ZGYWQGWWZZMUEB-UHFFFAOYSA-N 1 0 458.676 3.594 20 0 JHADRO CN(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccsc1 ZINC001314646873 1070747567 /nfs/dbraw/zinc/74/75/67/1070747567.db2.gz FSRKUFKKXZUFRG-FQEVSTJZSA-N 1 0 496.685 3.600 20 0 JHADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC001309403478 1070749549 /nfs/dbraw/zinc/74/95/49/1070749549.db2.gz VOWMOVRMQBPPEX-YWZLYKJASA-N 1 0 455.418 3.877 20 0 JHADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(-c3csc(C)n3)s2)c1 ZINC001309401869 1070748360 /nfs/dbraw/zinc/74/83/60/1070748360.db2.gz XQKILUKXVIUBCX-UHFFFAOYSA-N 1 0 451.639 3.941 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccccc1 ZINC001314648546 1070752644 /nfs/dbraw/zinc/75/26/44/1070752644.db2.gz GXVJTVYQSXERAI-UYAOXDASSA-N 1 0 475.519 3.586 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314649121 1070754273 /nfs/dbraw/zinc/75/42/73/1070754273.db2.gz RZVRPOWCPZGDGA-PKOBYXMFSA-N 1 0 485.658 3.751 20 0 JHADRO Cn1cc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H](c2cccs2)[NH+](C)C)cn1 ZINC001314649175 1070755006 /nfs/dbraw/zinc/75/50/06/1070755006.db2.gz LHYRAPVSBWUXTR-JPYJTQIMSA-N 1 0 457.648 3.684 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001313627976 1070758476 /nfs/dbraw/zinc/75/84/76/1070758476.db2.gz OTEKOXUUILUKHZ-GOSISDBHSA-N 1 0 467.456 3.875 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314650030 1070757514 /nfs/dbraw/zinc/75/75/14/1070757514.db2.gz YMOHAIWTXRRZNT-FXAWDEMLSA-N 1 0 458.582 3.528 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(CCCO)CC1)c1ccsc1 ZINC001314653784 1070766466 /nfs/dbraw/zinc/76/64/66/1070766466.db2.gz FIYDWCPUXMRREO-JOCHJYFZSA-N 1 0 454.644 3.617 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCC2=O)CC1)c1ccccc1 ZINC001314650939 1070760126 /nfs/dbraw/zinc/76/01/26/1070760126.db2.gz NLRMBMPJWGRGDI-QFIPXVFZSA-N 1 0 452.647 3.761 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1)c1ccsc1 ZINC001314653906 1070767236 /nfs/dbraw/zinc/76/72/36/1070767236.db2.gz PEHVENSDEKHCEV-RBUKOAKNSA-N 1 0 476.647 3.551 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001314651741 1070762009 /nfs/dbraw/zinc/76/20/09/1070762009.db2.gz YAPHBOIMWANUFN-IEBWSBKVSA-N 1 0 469.590 3.520 20 0 JHADRO CCN(CC(C)C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCCCC1 ZINC001313632606 1070763135 /nfs/dbraw/zinc/76/31/35/1070763135.db2.gz ZFTCMVNTZGBZAQ-OAQYLSRUSA-N 1 0 478.682 3.945 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001314652547 1070763500 /nfs/dbraw/zinc/76/35/00/1070763500.db2.gz ZUXFQOCWLSBDTM-FGZHOGPDSA-N 1 0 452.647 3.980 20 0 JHADRO CCN(CC(C)C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313632970 1070763802 /nfs/dbraw/zinc/76/38/02/1070763802.db2.gz BMQZJQPEGNZPNP-OYRHEFFESA-N 1 0 491.725 3.557 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCCC2)CCSC1 ZINC001314653165 1070765238 /nfs/dbraw/zinc/76/52/38/1070765238.db2.gz KYTDBRAPWGBXEE-LJQANCHMSA-N 1 0 454.413 3.884 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314656783 1070775550 /nfs/dbraw/zinc/77/55/50/1070775550.db2.gz SMHJDKPFIIMBGF-AZUAARDMSA-N 1 0 474.675 3.622 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C2CCCC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001313634739 1070767685 /nfs/dbraw/zinc/76/76/85/1070767685.db2.gz HOVRVQXJPGXIDF-QPPBQGQZSA-N 1 0 455.647 3.772 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001314654372 1070768960 /nfs/dbraw/zinc/76/89/60/1070768960.db2.gz GJVYNBUFVJPPBL-YADHBBJMSA-N 1 0 494.105 3.656 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001314654543 1070769145 /nfs/dbraw/zinc/76/91/45/1070769145.db2.gz UOHYXFIVMDONLW-FQEVSTJZSA-N 1 0 458.626 3.712 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC001314654706 1070770444 /nfs/dbraw/zinc/77/04/44/1070770444.db2.gz LEUQWYUINNYXEX-QFBILLFUSA-N 1 0 489.045 3.821 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1C(C)(C)C)c1cccc(F)c1 ZINC001314654902 1070770918 /nfs/dbraw/zinc/77/09/18/1070770918.db2.gz XVTZRLWSJVAWGL-QFIPXVFZSA-N 1 0 470.637 3.999 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001314654909 1070771078 /nfs/dbraw/zinc/77/10/78/1070771078.db2.gz XWADHUSGGUDFKK-SFHLNBCPSA-N 1 0 488.633 3.861 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001313635873 1070771280 /nfs/dbraw/zinc/77/12/80/1070771280.db2.gz CYYQDYOHTVGBCO-QHCPKHFHSA-N 1 0 482.673 3.504 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(CCC(N)=O)CC1)c1ccc(F)cc1 ZINC001314655397 1070772127 /nfs/dbraw/zinc/77/21/27/1070772127.db2.gz PZBIJODGDIQHBL-HSZRJFAPSA-N 1 0 470.637 3.935 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001313636244 1070772255 /nfs/dbraw/zinc/77/22/55/1070772255.db2.gz KBAWGMKYDJRRDM-HXUWFJFHSA-N 1 0 488.080 3.954 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)C1CCCCC1 ZINC001314657344 1070776097 /nfs/dbraw/zinc/77/60/97/1070776097.db2.gz XXDZKKHTZFQLDS-DNQXCXABSA-N 1 0 495.716 3.906 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313636435 1070772689 /nfs/dbraw/zinc/77/26/89/1070772689.db2.gz MDKFTAXNBCTBST-WPFOTENUSA-N 1 0 488.721 3.767 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CO)CC1)C1CC1 ZINC001314655691 1070773388 /nfs/dbraw/zinc/77/33/88/1070773388.db2.gz SJEUKKVVDQNFIZ-FQEVSTJZSA-N 1 0 450.052 3.773 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(C3CCCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CCSC1 ZINC001314655689 1070773515 /nfs/dbraw/zinc/77/35/15/1070773515.db2.gz DAIILDKHZXBOCA-SFTDATJTSA-N 1 0 475.625 3.903 20 0 JHADRO C[NH+](C)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CCCCC1 ZINC001314655865 1070773835 /nfs/dbraw/zinc/77/38/35/1070773835.db2.gz DVTZLUDZTZJPIT-HXUWFJFHSA-N 1 0 490.693 3.930 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC2CC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)c1cccc(F)c1 ZINC001314655945 1070773939 /nfs/dbraw/zinc/77/39/39/1070773939.db2.gz UXOXLWVJUSIULY-HXUWFJFHSA-N 1 0 496.553 3.568 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc([C@H]2CCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001313637614 1070776630 /nfs/dbraw/zinc/77/66/30/1070776630.db2.gz KVJPHDFAGDWOEK-XZOQPEGZSA-N 1 0 455.647 3.772 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](C(F)F)C2)CCSC1 ZINC001314657901 1070777776 /nfs/dbraw/zinc/77/77/76/1070777776.db2.gz JOOOBLYMNIIDGY-WZONZLPQSA-N 1 0 465.614 3.818 20 0 JHADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001309456026 1070780553 /nfs/dbraw/zinc/78/05/53/1070780553.db2.gz FRYUOJWDGJAXDC-JOCHJYFZSA-N 1 0 450.988 3.626 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CCCCC1 ZINC001314659070 1070780576 /nfs/dbraw/zinc/78/05/76/1070780576.db2.gz KFTPHBAAFFTHFH-QFIPXVFZSA-N 1 0 497.688 3.879 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001314662436 1070789351 /nfs/dbraw/zinc/78/93/51/1070789351.db2.gz CRYHMCSEYFGEMF-QUCCMNQESA-N 1 0 459.038 3.828 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001314663121 1070790538 /nfs/dbraw/zinc/79/05/38/1070790538.db2.gz OTRICXPROLYZRW-HXUWFJFHSA-N 1 0 467.481 3.957 20 0 JHADRO Cn1cc(Br)cc1-c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CC(C)(C)C[NH+](C)C ZINC001314663334 1070791711 /nfs/dbraw/zinc/79/17/11/1070791711.db2.gz RLTBPIRWHLFZRQ-JOCHJYFZSA-N 1 0 479.467 3.641 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)c2ccccc2)CC1 ZINC001314663738 1070792943 /nfs/dbraw/zinc/79/29/43/1070792943.db2.gz YWQXWXYSXXNYNW-UHFFFAOYSA-N 1 0 489.624 3.613 20 0 JHADRO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CC[C@H](C)C2)CC1 ZINC001313643900 1070794720 /nfs/dbraw/zinc/79/47/20/1070794720.db2.gz DEWJMLMFQXQYRB-LEWJYISDSA-N 1 0 472.703 3.747 20 0 JHADRO C[C@H]1CSC[C@H]1NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309486738 1070801078 /nfs/dbraw/zinc/80/10/78/1070801078.db2.gz WGTAZBHLOSBVRC-FBEWHJACSA-N 1 0 451.057 3.979 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001314664880 1070796022 /nfs/dbraw/zinc/79/60/22/1070796022.db2.gz FLNJNHNHQVNOPB-HXUWFJFHSA-N 1 0 454.663 3.912 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001314665383 1070797360 /nfs/dbraw/zinc/79/73/60/1070797360.db2.gz AVTORDFCKPTNDM-UHFFFAOYSA-N 1 0 465.621 3.512 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nnc1C(C)(C)C ZINC001314665602 1070797835 /nfs/dbraw/zinc/79/78/35/1070797835.db2.gz FEYLPSBDEICIKP-UHFFFAOYSA-N 1 0 479.044 3.918 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001314665729 1070797903 /nfs/dbraw/zinc/79/79/03/1070797903.db2.gz LNHBZJTZGPFYTC-IBGZPJMESA-N 1 0 476.691 3.869 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC(C)(C)C1 ZINC001314666735 1070799523 /nfs/dbraw/zinc/79/95/23/1070799523.db2.gz ZINZVXMUEREQQI-IBGZPJMESA-N 1 0 478.682 3.801 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001314666524 1070799550 /nfs/dbraw/zinc/79/95/50/1070799550.db2.gz XKNQUJBDKSHXBB-UHFFFAOYSA-N 1 0 476.069 3.816 20 0 JHADRO CCN(CC)C(=O)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001313644899 1070799659 /nfs/dbraw/zinc/79/96/59/1070799659.db2.gz WVPQFLWKOXKAIU-QFIPXVFZSA-N 1 0 460.667 3.623 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001314666829 1070800434 /nfs/dbraw/zinc/80/04/34/1070800434.db2.gz YDLIWBLZMHEDQM-FYYLOGMGSA-N 1 0 488.721 3.766 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001314666872 1070800517 /nfs/dbraw/zinc/80/05/17/1070800517.db2.gz ZQDVMPGMYWFLHO-AREMUKBSSA-N 1 0 496.681 3.609 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC001314667967 1070803064 /nfs/dbraw/zinc/80/30/64/1070803064.db2.gz MMIAUNAUPAFJPG-UHFFFAOYSA-N 1 0 474.600 3.764 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(CCO)Cc1cc(Br)ccc1F ZINC001314667868 1070803372 /nfs/dbraw/zinc/80/33/72/1070803372.db2.gz WULPQXVFXXHKFQ-LJQANCHMSA-N 1 0 498.441 3.618 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001314668511 1070804717 /nfs/dbraw/zinc/80/47/17/1070804717.db2.gz IWEHZWFUUGJQSK-AREMUKBSSA-N 1 0 466.630 3.903 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC001314669254 1070807190 /nfs/dbraw/zinc/80/71/90/1070807190.db2.gz YUJBSLVGYPXZBZ-HXUWFJFHSA-N 1 0 492.546 3.810 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC=C(Br)C2)c1 ZINC001314669236 1070807852 /nfs/dbraw/zinc/80/78/52/1070807852.db2.gz YMRORLQPYUDVIO-UHFFFAOYSA-N 1 0 497.441 3.742 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001314670138 1070811061 /nfs/dbraw/zinc/81/10/61/1070811061.db2.gz CRWZOTKCWXTXGO-FQEVSTJZSA-N 1 0 485.032 3.845 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CC3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001314672582 1070817490 /nfs/dbraw/zinc/81/74/90/1070817490.db2.gz UJKOECXDGZMKJU-JOCHJYFZSA-N 1 0 498.672 3.784 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(-c2cccn2C)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001314672222 1070817518 /nfs/dbraw/zinc/81/75/18/1070817518.db2.gz RMDXGXLJDSNMCE-UHFFFAOYSA-N 1 0 480.016 3.957 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(OC(C)(C)C)CC2)cc1 ZINC001314670970 1070813149 /nfs/dbraw/zinc/81/31/49/1070813149.db2.gz HNZDMPJOLCVJFY-NRFANRHFSA-N 1 0 471.646 3.555 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC001314670968 1070813430 /nfs/dbraw/zinc/81/34/30/1070813430.db2.gz HNIUDJSFVMYZAA-XMMPIXPASA-N 1 0 478.641 3.504 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CC3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001314672583 1070817752 /nfs/dbraw/zinc/81/77/52/1070817752.db2.gz UJKOECXDGZMKJU-QFIPXVFZSA-N 1 0 498.672 3.784 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(C3CCC3)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001314671328 1070814200 /nfs/dbraw/zinc/81/42/00/1070814200.db2.gz UMWQRXZYIXBHCO-UHFFFAOYSA-N 1 0 479.467 3.811 20 0 JHADRO C[NH+](C)CCCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCOC3(CCOCC3)C2)cc1 ZINC001314671353 1070814603 /nfs/dbraw/zinc/81/46/03/1070814603.db2.gz VIZVKTGGWPOONT-UHFFFAOYSA-N 1 0 485.673 3.631 20 0 JHADRO C[NH+](C)CCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001314672808 1070818216 /nfs/dbraw/zinc/81/82/16/1070818216.db2.gz UYKUEZAXNLFSOX-UHFFFAOYSA-N 1 0 468.646 3.643 20 0 JHADRO C[NH+](C)CCOCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001314671800 1070815583 /nfs/dbraw/zinc/81/55/83/1070815583.db2.gz LDBUMBCZJGMZEU-QFIPXVFZSA-N 1 0 480.028 3.959 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001314671917 1070815808 /nfs/dbraw/zinc/81/58/08/1070815808.db2.gz XLUSWIHCVMPAIU-UHFFFAOYSA-N 1 0 497.997 3.966 20 0 JHADRO C[NH+](C)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001314673087 1070818693 /nfs/dbraw/zinc/81/86/93/1070818693.db2.gz WRUMXNAVSOVTNH-WXFUMESZSA-N 1 0 469.674 3.844 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001314676506 1070821372 /nfs/dbraw/zinc/82/13/72/1070821372.db2.gz IYKHYDZYWXYRJW-FCHUYYIVSA-N 1 0 473.687 3.501 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CCCOC[C@H]1CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314676668 1070822507 /nfs/dbraw/zinc/82/25/07/1070822507.db2.gz KLZMCZQTCRVEQL-XZOQPEGZSA-N 1 0 455.647 3.872 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001313651323 1070826209 /nfs/dbraw/zinc/82/62/09/1070826209.db2.gz DMPFUZKHLSQKMZ-UZLBHIALSA-N 1 0 481.016 3.517 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC001313651540 1070826790 /nfs/dbraw/zinc/82/67/90/1070826790.db2.gz GEXLRAFUFUNAFQ-LPHOPBHVSA-N 1 0 461.680 3.604 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001313655524 1070845101 /nfs/dbraw/zinc/84/51/01/1070845101.db2.gz YMVVVCJXIXWLFP-UHFFFAOYSA-N 1 0 467.662 3.712 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313655839 1070847268 /nfs/dbraw/zinc/84/72/68/1070847268.db2.gz AASFCELAUMCVPK-QRWLVFNGSA-N 1 0 453.429 3.771 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001313655964 1070847299 /nfs/dbraw/zinc/84/72/99/1070847299.db2.gz BORHSQSMYRRWMJ-KBMIEXCESA-N 1 0 492.615 3.578 20 0 JHADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001309551255 1070849652 /nfs/dbraw/zinc/84/96/52/1070849652.db2.gz WBNWAXGLIONFIH-UHFFFAOYSA-N 1 0 457.434 3.803 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313656998 1070853767 /nfs/dbraw/zinc/85/37/67/1070853767.db2.gz NIILFBGPUVQTDY-HLAWJBBLSA-N 1 0 457.619 3.765 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 ZINC001313657036 1070853913 /nfs/dbraw/zinc/85/39/13/1070853913.db2.gz IAMLYWRAKYSPOP-SFHVURJKSA-N 1 0 472.037 3.947 20 0 JHADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001309556377 1070854327 /nfs/dbraw/zinc/85/43/27/1070854327.db2.gz AQYNGBZRLVIQNK-UHFFFAOYSA-N 1 0 453.830 3.532 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314693631 1070854050 /nfs/dbraw/zinc/85/40/50/1070854050.db2.gz ISGUNAZUXBNIGN-QFIPXVFZSA-N 1 0 466.674 3.882 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001313657206 1070854334 /nfs/dbraw/zinc/85/43/34/1070854334.db2.gz PJHRCAHGRMDLST-WOJBJXKFSA-N 1 0 464.614 3.921 20 0 JHADRO CN(c1nnc(COc2ccc(Cl)cc2Cl)n1CCC[NH+]1CCC(O)CC1)C1CC1 ZINC001314698635 1070863586 /nfs/dbraw/zinc/86/35/86/1070863586.db2.gz HTZXWYKVCDCXAQ-UHFFFAOYSA-N 1 0 454.402 3.609 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001313658492 1070859917 /nfs/dbraw/zinc/85/99/17/1070859917.db2.gz ZMBMUFBJGHHTGA-GOSISDBHSA-N 1 0 471.005 3.884 20 0 JHADRO COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001309565485 1070860395 /nfs/dbraw/zinc/86/03/95/1070860395.db2.gz LGORCIUBQAWABX-SGNDLWITSA-N 1 0 462.656 3.815 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C(N)=O)CC1 ZINC001313658937 1070861110 /nfs/dbraw/zinc/86/11/10/1070861110.db2.gz UWPMGTRZLLTMJI-KRWDZBQOSA-N 1 0 458.676 3.708 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001313659045 1070861629 /nfs/dbraw/zinc/86/16/29/1070861629.db2.gz HKWXTAFMSVBBCC-NHCUHLMSSA-N 1 0 463.630 3.503 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001313659044 1070861864 /nfs/dbraw/zinc/86/18/64/1070861864.db2.gz HKWXTAFMSVBBCC-LEWJYISDSA-N 1 0 463.630 3.503 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001313659324 1070862076 /nfs/dbraw/zinc/86/20/76/1070862076.db2.gz IRXASUYRWNRSNC-QHCPKHFHSA-N 1 0 489.668 3.742 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313659234 1070862186 /nfs/dbraw/zinc/86/21/86/1070862186.db2.gz WSFJSDROMZSMTK-GJZGRUSLSA-N 1 0 497.869 3.793 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313659233 1070862211 /nfs/dbraw/zinc/86/22/11/1070862211.db2.gz WSFJSDROMZSMTK-CABCVRRESA-N 1 0 497.869 3.793 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](OC)C1 ZINC001313660039 1070864895 /nfs/dbraw/zinc/86/48/95/1070864895.db2.gz NNLDLHUOUSQHNQ-ZBFHGGJFSA-N 1 0 454.388 3.802 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cnc(C)s1 ZINC001313660227 1070865049 /nfs/dbraw/zinc/86/50/49/1070865049.db2.gz OXTKIIWZUIQXNT-INIZCTEOSA-N 1 0 456.616 3.848 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(C1)CCOCC2 ZINC001313660436 1070865423 /nfs/dbraw/zinc/86/54/23/1070865423.db2.gz QHRFLIDUIOUVHF-IBGZPJMESA-N 1 0 457.619 3.700 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(C1)CCOCC2 ZINC001313660437 1070865543 /nfs/dbraw/zinc/86/55/43/1070865543.db2.gz QHRFLIDUIOUVHF-LJQANCHMSA-N 1 0 457.619 3.700 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001313660943 1070866775 /nfs/dbraw/zinc/86/67/75/1070866775.db2.gz UZVLTYZRAYQHJW-GCJKJVERSA-N 1 0 459.635 3.944 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 ZINC001313661064 1070867330 /nfs/dbraw/zinc/86/73/30/1070867330.db2.gz COBAGLZRIGAGRX-GOSISDBHSA-N 1 0 472.037 3.550 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001313662180 1070870215 /nfs/dbraw/zinc/87/02/15/1070870215.db2.gz PDJVZBPILYRCNM-GOSISDBHSA-N 1 0 489.628 3.874 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313663073 1070871230 /nfs/dbraw/zinc/87/12/30/1070871230.db2.gz GBMQPNMBCSEPKG-ZCNNSNEGSA-N 1 0 464.655 3.744 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)=C(Br)C1 ZINC001313664284 1070876165 /nfs/dbraw/zinc/87/61/65/1070876165.db2.gz ADGRMXJASGFBJA-INIZCTEOSA-N 1 0 495.491 3.879 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1[C@H]1CCCO1)c1ccccc1 ZINC001313664225 1070876185 /nfs/dbraw/zinc/87/61/85/1070876185.db2.gz LOAZGJQSTSXWMU-YTFSRNRJSA-N 1 0 468.646 3.647 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001313664491 1070876483 /nfs/dbraw/zinc/87/64/83/1070876483.db2.gz BHLLWUOIIOSMDQ-OAQYLSRUSA-N 1 0 454.663 3.950 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1 ZINC001313664844 1070878174 /nfs/dbraw/zinc/87/81/74/1070878174.db2.gz ALOCMFWMUWKURL-AQNXPRMDSA-N 1 0 464.655 3.696 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001314708053 1070880117 /nfs/dbraw/zinc/88/01/17/1070880117.db2.gz FHMLSHYJYZJEOR-OPYAIIAOSA-N 1 0 474.675 3.625 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313666088 1070882508 /nfs/dbraw/zinc/88/25/08/1070882508.db2.gz GRCXYCHZLMADQQ-ROUUACIJSA-N 1 0 463.026 3.530 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001313667826 1070889492 /nfs/dbraw/zinc/88/94/92/1070889492.db2.gz LIXDDEKIIAQTGU-QMHKHESXSA-N 1 0 495.455 3.753 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001313666137 1070883317 /nfs/dbraw/zinc/88/33/17/1070883317.db2.gz HJPXERIXFKAOEP-SFHVURJKSA-N 1 0 458.651 3.897 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(C)c3ccccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313666565 1070884580 /nfs/dbraw/zinc/88/45/80/1070884580.db2.gz HBSINPZISRKJBQ-HFZDXXHNSA-N 1 0 470.662 3.505 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(C)c3ccccc3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313666568 1070884712 /nfs/dbraw/zinc/88/47/12/1070884712.db2.gz HBSINPZISRKJBQ-RLWLMLJZSA-N 1 0 470.662 3.505 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)c1ccco1 ZINC001313666528 1070884736 /nfs/dbraw/zinc/88/47/36/1070884736.db2.gz XPXRPLQILBMCBJ-LEWJYISDSA-N 1 0 469.565 3.802 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001313666730 1070885826 /nfs/dbraw/zinc/88/58/26/1070885826.db2.gz ISBOULXSUDWCRL-AZUAARDMSA-N 1 0 464.655 3.553 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@@H]2C1)c1ccco1 ZINC001313666840 1070886378 /nfs/dbraw/zinc/88/63/78/1070886378.db2.gz YDVMINHDMHCUHJ-UWHLTILDSA-N 1 0 492.690 3.581 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314710062 1070886905 /nfs/dbraw/zinc/88/69/05/1070886905.db2.gz PCNNAKOMVRFDRL-VQIMIIECSA-N 1 0 489.045 3.875 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001314710166 1070888005 /nfs/dbraw/zinc/88/80/05/1070888005.db2.gz NMGZXPSVHQQVIW-CTNGQTDRSA-N 1 0 472.634 3.691 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001313667532 1070888134 /nfs/dbraw/zinc/88/81/34/1070888134.db2.gz KMZGVCYBMIDIOS-IBGZPJMESA-N 1 0 484.645 3.762 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001313667281 1070888918 /nfs/dbraw/zinc/88/89/18/1070888918.db2.gz KNKVQVJNQINKST-GBXCKJPGSA-N 1 0 464.662 3.843 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313667930 1070890671 /nfs/dbraw/zinc/89/06/71/1070890671.db2.gz MMXCZRVPVIAFNI-PWRODBHTSA-N 1 0 476.710 3.622 20 0 JHADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)CC(C)(C)C)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001314711697 1070893082 /nfs/dbraw/zinc/89/30/82/1070893082.db2.gz WIQMYHQNMQRPCX-HXUWFJFHSA-N 1 0 488.658 3.574 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001313669687 1070894958 /nfs/dbraw/zinc/89/49/58/1070894958.db2.gz XLMYQSVXTWWKLY-UGKGYDQZSA-N 1 0 451.619 3.983 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001313669717 1070895411 /nfs/dbraw/zinc/89/54/11/1070895411.db2.gz XWVGITWSLUAETH-ZWKOTPCHSA-N 1 0 457.573 3.605 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001313670336 1070896985 /nfs/dbraw/zinc/89/69/85/1070896985.db2.gz YJCSAKGTBUHFBN-MXEMCNAFSA-N 1 0 478.682 3.640 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001313671503 1070900007 /nfs/dbraw/zinc/90/00/07/1070900007.db2.gz QOJHQCBOLCFKEQ-IBGZPJMESA-N 1 0 453.635 3.751 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(CC(C)C)C(=O)C1)c1ccccc1 ZINC001313671948 1070901825 /nfs/dbraw/zinc/90/18/25/1070901825.db2.gz DQAAKOGUQYQAJP-XMMPIXPASA-N 1 0 475.641 3.728 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313672349 1070903495 /nfs/dbraw/zinc/90/34/95/1070903495.db2.gz VUGBBFBFORYQOE-RTBURBONSA-N 1 0 482.595 3.681 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313672765 1070904986 /nfs/dbraw/zinc/90/49/86/1070904986.db2.gz AWBFCDOHHUKANF-NLFFAJNJSA-N 1 0 458.651 3.553 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)NC)CC1)c1ccsc1 ZINC001313673084 1070906240 /nfs/dbraw/zinc/90/62/40/1070906240.db2.gz JCXXEAJLLNYOFV-QFIPXVFZSA-N 1 0 481.670 3.860 20 0 JHADRO CN(CC(F)(F)F)c1nnc(Cc2ccncc2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001314718457 1070910230 /nfs/dbraw/zinc/91/02/30/1070910230.db2.gz UFZYIUYMYHRWJX-OAQYLSRUSA-N 1 0 474.531 3.554 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)c1ccccc1 ZINC001313673913 1070909074 /nfs/dbraw/zinc/90/90/74/1070909074.db2.gz SGVXJABYDNIKMZ-ISKFKSNPSA-N 1 0 490.656 3.559 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccsc1 ZINC001313675868 1070918989 /nfs/dbraw/zinc/91/89/89/1070918989.db2.gz SABZOHQPCGULDX-NFBKMPQASA-N 1 0 496.681 3.977 20 0 JHADRO CN(CC(F)(F)F)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCCCS1 ZINC001314718493 1070910811 /nfs/dbraw/zinc/91/08/11/1070910811.db2.gz VSJSRIGEUZHXQG-HXUWFJFHSA-N 1 0 482.620 3.927 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(C)C)C1)c1ccsc1 ZINC001313674310 1070911033 /nfs/dbraw/zinc/91/10/33/1070911033.db2.gz UQCJGLBFUZJYRK-NHCUHLMSSA-N 1 0 457.648 3.684 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccco1 ZINC001313674335 1070911052 /nfs/dbraw/zinc/91/10/52/1070911052.db2.gz UXPZSKMNLJTEJE-FPOVZHCZSA-N 1 0 481.601 3.602 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NC)CC1)c1ccccc1 ZINC001313675426 1070915710 /nfs/dbraw/zinc/91/57/10/1070915710.db2.gz YZAHUUCUOZJZCU-PKTZIBPZSA-N 1 0 468.646 3.565 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccsc1 ZINC001313675582 1070917275 /nfs/dbraw/zinc/91/72/75/1070917275.db2.gz QFZOJPFSNSXZAC-LEWJYISDSA-N 1 0 488.702 3.969 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccsc1 ZINC001313675591 1070917444 /nfs/dbraw/zinc/91/74/44/1070917444.db2.gz UNJYPOABCDDYRT-PGRDOPGGSA-N 1 0 482.654 3.765 20 0 JHADRO CCN(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccco1 ZINC001313676473 1070921381 /nfs/dbraw/zinc/92/13/81/1070921381.db2.gz DSBOPNFUUGGYQH-PKTZIBPZSA-N 1 0 499.681 3.867 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1)c1ccsc1 ZINC001313677675 1070925976 /nfs/dbraw/zinc/92/59/76/1070925976.db2.gz LNPMMHZLMJYEFM-UXHICEINSA-N 1 0 458.676 3.822 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCNC2=O)CC1)c1ccco1 ZINC001313677852 1070927022 /nfs/dbraw/zinc/92/70/22/1070927022.db2.gz MKKMBKSZDOHRID-OAQYLSRUSA-N 1 0 485.677 3.927 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314726510 1070934389 /nfs/dbraw/zinc/93/43/89/1070934389.db2.gz GHOYXTHCTKOIIM-NHCUHLMSSA-N 1 0 492.462 3.765 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)CCC1 ZINC001314725394 1070930025 /nfs/dbraw/zinc/93/00/25/1070930025.db2.gz LTXMZGNPGLRHQT-UHFFFAOYSA-N 1 0 459.392 3.740 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc([C@@H]2CCOC2)n1CC[N@H+](C)C1CCCC1 ZINC001314725662 1070930665 /nfs/dbraw/zinc/93/06/65/1070930665.db2.gz PQNSJUTZSKPJHM-OAHLLOKOSA-N 1 0 452.397 3.648 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@](C)(OC)C1)c1ccco1 ZINC001313678911 1070933230 /nfs/dbraw/zinc/93/32/30/1070933230.db2.gz PGFWMLISZCANAF-OFVILXPXSA-N 1 0 452.603 3.945 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc(Cc2ccccn2)n1CC1([NH+](C)C)CCOCC1 ZINC001314727264 1070937312 /nfs/dbraw/zinc/93/73/12/1070937312.db2.gz MTOIDNBKDYAZSX-UHFFFAOYSA-N 1 0 499.457 3.774 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314729389 1070944075 /nfs/dbraw/zinc/94/40/75/1070944075.db2.gz KADAAHGLEYICDV-FUHWJXTLSA-N 1 0 498.491 3.827 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CC(C)(C)OC[C@@H]1C)c1ccco1 ZINC001313681541 1070941134 /nfs/dbraw/zinc/94/11/34/1070941134.db2.gz XAEFLDZJRSCVBR-PZJWPPBQSA-N 1 0 452.603 3.944 20 0 JHADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)CC1 ZINC001309739076 1070946712 /nfs/dbraw/zinc/94/67/12/1070946712.db2.gz KNBAASXKMSHINV-LJQANCHMSA-N 1 0 457.036 3.927 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)NC)C1)c1ccco1 ZINC001313681755 1070941997 /nfs/dbraw/zinc/94/19/97/1070941997.db2.gz ZAIYWVIYVGACGB-XZOQPEGZSA-N 1 0 478.641 3.816 20 0 JHADRO CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313685057 1070946233 /nfs/dbraw/zinc/94/62/33/1070946233.db2.gz ZUORGPIQVKBJNQ-UHFFFAOYSA-N 1 0 450.425 3.789 20 0 JHADRO CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001313687828 1070947476 /nfs/dbraw/zinc/94/74/76/1070947476.db2.gz DCOZARDWHGHGJI-IRLDBZIGSA-N 1 0 486.661 3.953 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(C)=O)cc2)CC1 ZINC001313691248 1070950875 /nfs/dbraw/zinc/95/08/75/1070950875.db2.gz FMQCPCOFLABZGB-MHZLTWQESA-N 1 0 498.672 3.636 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3C)C2)CC1 ZINC001313691510 1070951300 /nfs/dbraw/zinc/95/13/00/1070951300.db2.gz NSSKVKQLMCXGCR-KCZVDYSFSA-N 1 0 488.702 3.626 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(C)(C)C)n2Cc2nc3cc(OC)ccc3n2C)CC1 ZINC001313691541 1070951372 /nfs/dbraw/zinc/95/13/72/1070951372.db2.gz OUOBCMMMTVWRIS-UHFFFAOYSA-N 1 0 453.635 3.830 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 ZINC001313691864 1070952633 /nfs/dbraw/zinc/95/26/33/1070952633.db2.gz ZGCIOJGLCWCBPC-XYWHTSSQSA-N 1 0 456.610 3.985 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1ccc(F)c(Br)c1F ZINC001309754409 1070954611 /nfs/dbraw/zinc/95/46/11/1070954611.db2.gz RYANBAXIEKYCHY-UKRRQHHQSA-N 1 0 459.356 3.774 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOc2ncccc2F)CC1 ZINC001313695019 1070958675 /nfs/dbraw/zinc/95/86/75/1070958675.db2.gz ZMFSOGOHTUJGGW-UHFFFAOYSA-N 1 0 470.568 3.932 20 0 JHADRO CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)CC1 ZINC001309767092 1070959328 /nfs/dbraw/zinc/95/93/28/1070959328.db2.gz UHYRKBGQBZAZCJ-QGZVFWFLSA-N 1 0 459.439 3.874 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2n[nH]c(C)n2)CC1 ZINC001313695474 1070960113 /nfs/dbraw/zinc/96/01/13/1070960113.db2.gz AMQNIKXMRAZDEA-UHFFFAOYSA-N 1 0 473.025 3.587 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@](C)(O)CCOC)CC1 ZINC001313696835 1070964502 /nfs/dbraw/zinc/96/45/02/1070964502.db2.gz XKHUPEWTNXBFDS-HSZRJFAPSA-N 1 0 450.027 3.697 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CC=CCO2)CC1 ZINC001313695750 1070961291 /nfs/dbraw/zinc/96/12/91/1070961291.db2.gz BPBUEAWKMBMZRJ-OAQYLSRUSA-N 1 0 455.603 3.521 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001313695901 1070961399 /nfs/dbraw/zinc/96/13/99/1070961399.db2.gz DHFVXPQNBVPWPT-OAQYLSRUSA-N 1 0 463.573 3.900 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCS2)CC1 ZINC001313697374 1070966470 /nfs/dbraw/zinc/96/64/70/1070966470.db2.gz NMIMWTQFMRSGOR-LJQANCHMSA-N 1 0 476.716 3.866 20 0 JHADRO CCn1cccc(Cn2c(COc3cccc(C)c3)nnc2N2CCC([NH+](CC)CC)CC2)c1=O ZINC001313697544 1070966985 /nfs/dbraw/zinc/96/69/85/1070966985.db2.gz QXWHJBSQVSSCCA-UHFFFAOYSA-N 1 0 478.641 3.706 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001313698359 1070970068 /nfs/dbraw/zinc/97/00/68/1070970068.db2.gz ZAXGKEBDTBVRBP-UHFFFAOYSA-N 1 0 463.630 3.774 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001313698349 1070970123 /nfs/dbraw/zinc/97/01/23/1070970123.db2.gz YRNYTEQRXJZQBU-XZOQPEGZSA-N 1 0 488.702 3.723 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccccc2C(F)(F)F)CC1 ZINC001313697808 1070968279 /nfs/dbraw/zinc/96/82/79/1070968279.db2.gz VNODOAOHJPFGJR-UHFFFAOYSA-N 1 0 492.590 3.973 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001313697974 1070968966 /nfs/dbraw/zinc/96/89/66/1070968966.db2.gz YKXUEKBHGDRAJQ-OALUTQOASA-N 1 0 488.702 3.784 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001313698112 1070969505 /nfs/dbraw/zinc/96/95/05/1070969505.db2.gz SFGDNCMMGBSUNA-UZUQRXQVSA-N 1 0 492.462 3.558 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001313698110 1070969628 /nfs/dbraw/zinc/96/96/28/1070969628.db2.gz SFGDNCMMGBSUNA-HXOBKFHXSA-N 1 0 492.462 3.558 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CC=CCC2)CC1 ZINC001313698665 1070971018 /nfs/dbraw/zinc/97/10/18/1070971018.db2.gz CCNVVVIBXWEUDG-QFIPXVFZSA-N 1 0 450.631 3.600 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C)(COC)CC2)cc1 ZINC001313698698 1070971514 /nfs/dbraw/zinc/97/15/14/1070971514.db2.gz JEGOCBOAMMWNOA-UHFFFAOYSA-N 1 0 482.673 3.657 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)C(F)(F)F)CC1 ZINC001313698872 1070971595 /nfs/dbraw/zinc/97/15/95/1070971595.db2.gz DCSPOIMFBYKQCD-UHFFFAOYSA-N 1 0 480.579 3.832 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C(F)(F)F)C2)c1 ZINC001313699356 1070973265 /nfs/dbraw/zinc/97/32/65/1070973265.db2.gz BRAQLDNAAZDWCV-FQEVSTJZSA-N 1 0 462.520 3.931 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cccnc3)nnc2N2CCN(CC(F)(F)F)CC2)c1 ZINC001313699904 1070975372 /nfs/dbraw/zinc/97/53/72/1070975372.db2.gz KMUVGGOBIHVLSI-UHFFFAOYSA-N 1 0 487.574 3.915 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001313701066 1070978613 /nfs/dbraw/zinc/97/86/13/1070978613.db2.gz QTDPJIJJCLGLBK-UHFFFAOYSA-N 1 0 496.578 3.533 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nc(C(C)C)cs2)CC1 ZINC001313701769 1070981454 /nfs/dbraw/zinc/98/14/54/1070981454.db2.gz YIARTINKISGPDG-AVRDEDQJSA-N 1 0 476.691 3.941 20 0 JHADRO CC(=O)N1c2ccc(S(=O)(=O)N(C)C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)cc2C[C@H]1C ZINC001309815196 1070980726 /nfs/dbraw/zinc/98/07/26/1070980726.db2.gz MJQNWOOGZLTFLO-XXBNENTESA-N 1 0 455.624 3.659 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](C(N)=O)C2)c1 ZINC001313700324 1070976635 /nfs/dbraw/zinc/97/66/35/1070976635.db2.gz RWCBDSFFVJCEIM-NRFANRHFSA-N 1 0 482.032 3.585 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)Nc2c(C)cccc2C)CC1 ZINC001313700798 1070977991 /nfs/dbraw/zinc/97/79/91/1070977991.db2.gz JLHIXDJXPNWGLL-OFVILXPXSA-N 1 0 498.672 3.568 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2ccnn2)C1 ZINC001313701850 1070982141 /nfs/dbraw/zinc/98/21/41/1070982141.db2.gz KMQZWFFEMXJXAU-KRWDZBQOSA-N 1 0 460.989 3.588 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2OCCC2(C)C)C1 ZINC001313702084 1070982793 /nfs/dbraw/zinc/98/27/93/1070982793.db2.gz MLVQYRSJMDVHMU-AUSIDOKSSA-N 1 0 471.646 3.946 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCCC2)C1 ZINC001313702312 1070983601 /nfs/dbraw/zinc/98/36/01/1070983601.db2.gz OIVRTXSFZCZODL-FQEVSTJZSA-N 1 0 459.660 3.707 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H]3OC(=O)O[C@H]3C2)cc1 ZINC001313702462 1070984230 /nfs/dbraw/zinc/98/42/30/1070984230.db2.gz ASHANTDAAIGEEZ-RTWAWAEBSA-N 1 0 455.603 3.871 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C)nnc2N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC001313702444 1070984284 /nfs/dbraw/zinc/98/42/84/1070984284.db2.gz AKLWDXRKNCHYIP-OAQYLSRUSA-N 1 0 466.674 3.952 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC(=O)N2)C1 ZINC001313702549 1070984304 /nfs/dbraw/zinc/98/43/04/1070984304.db2.gz PCGBSHZAOTUHGU-SIKLNZKXSA-N 1 0 452.647 3.689 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(C)C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001313702741 1070984327 /nfs/dbraw/zinc/98/43/27/1070984327.db2.gz JNPCBXPEBQNLIF-QHCPKHFHSA-N 1 0 468.690 3.840 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001313702633 1070984843 /nfs/dbraw/zinc/98/48/43/1070984843.db2.gz QUPAOCKJYIUDEK-OALUTQOASA-N 1 0 480.078 3.591 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2c(C)noc2C)cc1 ZINC001313703000 1070985360 /nfs/dbraw/zinc/98/53/60/1070985360.db2.gz DAGDIGRWZADJEX-UHFFFAOYSA-N 1 0 462.602 3.810 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(C)CC2)C1 ZINC001313702924 1070985399 /nfs/dbraw/zinc/98/53/99/1070985399.db2.gz TVSTXQOWKWZRLK-IBGZPJMESA-N 1 0 459.660 3.707 20 0 JHADRO Cc1cc(Br)c(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)s1 ZINC001309828145 1070987267 /nfs/dbraw/zinc/98/72/67/1070987267.db2.gz HVTHZPGWPXSHRA-APWZRJJASA-N 1 0 455.443 3.962 20 0 JHADRO CCN(c1nnc(C2CCCC2)n1Cc1ccccc1C[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001313705046 1070992546 /nfs/dbraw/zinc/99/25/46/1070992546.db2.gz PUJWAHXHXOOQDP-QHCPKHFHSA-N 1 0 473.687 3.839 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001313705034 1070992589 /nfs/dbraw/zinc/99/25/89/1070992589.db2.gz PPEZBNLUGSTNDH-LJQANCHMSA-N 1 0 451.619 3.572 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001313703744 1070988022 /nfs/dbraw/zinc/98/80/22/1070988022.db2.gz DUTVUTJGEIIRKJ-RTWAWAEBSA-N 1 0 452.647 3.915 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](COC)C1 ZINC001313704034 1070989366 /nfs/dbraw/zinc/98/93/66/1070989366.db2.gz SHEFFGMWPJWCDD-QFIPXVFZSA-N 1 0 482.673 3.657 20 0 JHADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001309836650 1070990734 /nfs/dbraw/zinc/99/07/34/1070990734.db2.gz BLXOHFXDDDCWQL-UHFFFAOYSA-N 1 0 456.530 3.973 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C2CCCC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313704548 1070991227 /nfs/dbraw/zinc/99/12/27/1070991227.db2.gz JLCQJGAILMAXMB-AREMUKBSSA-N 1 0 452.647 3.788 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccco2)C1 ZINC001313705225 1070993197 /nfs/dbraw/zinc/99/31/97/1070993197.db2.gz CGKJDJQHDXJFCJ-INIZCTEOSA-N 1 0 461.408 3.856 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC(F)(F)CO2)C1 ZINC001313705545 1070993799 /nfs/dbraw/zinc/99/37/99/1070993799.db2.gz DOXQGKKOXAZFEE-GDBMZVCRSA-N 1 0 487.393 3.628 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2CCC[C@H](n3cncn3)C2)nnc1C(C)(C)C ZINC001313705848 1070995024 /nfs/dbraw/zinc/99/50/24/1070995024.db2.gz VYTYZNNURRCCOW-QFIPXVFZSA-N 1 0 450.635 3.899 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001313706590 1070996397 /nfs/dbraw/zinc/99/63/97/1070996397.db2.gz CURPULQWFDCZGH-IBGZPJMESA-N 1 0 491.562 3.836 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)c(OC)c2)C1 ZINC001313706833 1070996894 /nfs/dbraw/zinc/99/68/94/1070996894.db2.gz GGOBWWYKXQYGNU-HXUWFJFHSA-N 1 0 450.587 3.574 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)C1 ZINC001313706701 1070996945 /nfs/dbraw/zinc/99/69/45/1070996945.db2.gz IPTPRTYLKAHVMP-SFTDATJTSA-N 1 0 474.719 3.879 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2Cl)C1 ZINC001313708377 1071000174 /nfs/dbraw/zinc/00/01/74/1071000174.db2.gz UYXXMNBYZKBGTD-GOSISDBHSA-N 1 0 477.028 3.717 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001313708948 1071001048 /nfs/dbraw/zinc/00/10/48/1071001048.db2.gz DUVMCAUCCYEVHA-XQFWAAQXSA-N 1 0 481.563 3.748 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)cc2Cl)C1 ZINC001313709365 1071001882 /nfs/dbraw/zinc/00/18/82/1071001882.db2.gz LKKRIPCWPPJTLT-GOSISDBHSA-N 1 0 477.028 3.604 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC001313709540 1071002504 /nfs/dbraw/zinc/00/25/04/1071002504.db2.gz NHMRUTJNHKHKPX-REWPJTCUSA-N 1 0 468.646 3.842 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001313710032 1071003250 /nfs/dbraw/zinc/00/32/50/1071003250.db2.gz HNCTYKIMMQHWFI-FKBYEOEOSA-N 1 0 490.693 3.597 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(C)n(C)c2=O)C1 ZINC001313710031 1071003266 /nfs/dbraw/zinc/00/32/66/1071003266.db2.gz UZUUSWASKVWDSQ-HXUWFJFHSA-N 1 0 499.059 3.734 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)CC[C@H]1C ZINC001313710563 1071004497 /nfs/dbraw/zinc/00/44/97/1071004497.db2.gz HGOKQRLYNKDVHD-RTBURBONSA-N 1 0 475.707 3.903 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)c2c(C)noc2C)C1 ZINC001313710648 1071004561 /nfs/dbraw/zinc/00/45/61/1071004561.db2.gz BEPVUVYQLDJEOK-RXVVDRJESA-N 1 0 451.619 3.841 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001313711157 1071005598 /nfs/dbraw/zinc/00/55/98/1071005598.db2.gz MNNDKCVNAAYAPL-UHFFFAOYSA-N 1 0 457.026 3.839 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001313711521 1071006609 /nfs/dbraw/zinc/00/66/09/1071006609.db2.gz DWGIWEPHBIDOQQ-JKSUJKDBSA-N 1 0 486.480 3.741 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C3CCCC3)n2CCNC(=O)c2cccc(C)c2)C1 ZINC001313712059 1071007454 /nfs/dbraw/zinc/00/74/54/1071007454.db2.gz OVLWEZMFJNTKGX-NRFANRHFSA-N 1 0 452.647 3.842 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(NC(=O)OC)c2)C1 ZINC001313712007 1071007714 /nfs/dbraw/zinc/00/77/14/1071007714.db2.gz KCFJWSYLUBOFQM-OAQYLSRUSA-N 1 0 477.613 3.659 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001313712213 1071008204 /nfs/dbraw/zinc/00/82/04/1071008204.db2.gz KTUAYJLYNSWBDX-UHFFFAOYSA-N 1 0 495.093 3.663 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001313715255 1071014281 /nfs/dbraw/zinc/01/42/81/1071014281.db2.gz AKZIAFDZLRPBSM-HXUWFJFHSA-N 1 0 470.662 3.553 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001313715596 1071014781 /nfs/dbraw/zinc/01/47/81/1071014781.db2.gz JMTQFUMWWRCHKP-UHFFFAOYSA-N 1 0 490.439 3.823 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccn2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001313714770 1071013200 /nfs/dbraw/zinc/01/32/00/1071013200.db2.gz QVTVJQYCBKVRLV-OAQYLSRUSA-N 1 0 480.592 3.612 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001313715138 1071013525 /nfs/dbraw/zinc/01/35/25/1071013525.db2.gz ZYBFRTOMFHARCL-UHFFFAOYSA-N 1 0 466.630 3.638 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001313715449 1071013863 /nfs/dbraw/zinc/01/38/63/1071013863.db2.gz DRQCAWUVDPPRBA-HHHXNRCGSA-N 1 0 482.673 3.603 20 0 JHADRO CC[NH+](CC)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2nccs2)CC1 ZINC001313715276 1071014014 /nfs/dbraw/zinc/01/40/14/1071014014.db2.gz AVRREDQKLAKUOM-UHFFFAOYSA-N 1 0 456.664 3.712 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001313715959 1071015717 /nfs/dbraw/zinc/01/57/17/1071015717.db2.gz MHBUVDMSQKQQQQ-INIZCTEOSA-N 1 0 483.444 3.563 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314762388 1071019914 /nfs/dbraw/zinc/01/99/14/1071019914.db2.gz OXXXBYYMWWOBIR-INIZCTEOSA-N 1 0 482.942 3.722 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)CC1 ZINC001313717430 1071017024 /nfs/dbraw/zinc/01/70/24/1071017024.db2.gz PQCAZKKEIBAUSO-GOSISDBHSA-N 1 0 486.608 3.554 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313718486 1071018848 /nfs/dbraw/zinc/01/88/48/1071018848.db2.gz KPFPNSRCXLVQAY-PWRODBHTSA-N 1 0 478.682 3.644 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001313720672 1071021573 /nfs/dbraw/zinc/02/15/73/1071021573.db2.gz XNZRNCNCNOPUHR-QFIPXVFZSA-N 1 0 473.637 3.617 20 0 JHADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001309940548 1071023194 /nfs/dbraw/zinc/02/31/94/1071023194.db2.gz KPOFAEJATAJLFQ-WSTZPKSXSA-N 1 0 462.999 3.706 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCn1cccn1 ZINC001313721335 1071023898 /nfs/dbraw/zinc/02/38/98/1071023898.db2.gz KENXKPGOEYYGAK-MRXNPFEDSA-N 1 0 478.414 3.910 20 0 JHADRO O=S(=O)(Cc1ncsc1Br)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001309943881 1071024645 /nfs/dbraw/zinc/02/46/45/1071024645.db2.gz WUNYGWPIOXFEEP-IKGGRYGDSA-N 1 0 470.458 3.626 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](OC)C1 ZINC001313721744 1071025130 /nfs/dbraw/zinc/02/51/30/1071025130.db2.gz PYFWACOWAFCPGT-SJLPKXTDSA-N 1 0 450.425 3.971 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001313721762 1071025173 /nfs/dbraw/zinc/02/51/73/1071025173.db2.gz QIMVNHQEXHONRD-QGZVFWFLSA-N 1 0 489.462 3.544 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001313723723 1071029193 /nfs/dbraw/zinc/02/91/93/1071029193.db2.gz MHANNAFGWDYDCO-IKGGRYGDSA-N 1 0 465.440 3.629 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCOC1 ZINC001313722442 1071026800 /nfs/dbraw/zinc/02/68/00/1071026800.db2.gz AFUPDBXPJGCVOO-IAGOWNOFSA-N 1 0 467.456 3.639 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(CC(N)=O)CC1 ZINC001313722522 1071027325 /nfs/dbraw/zinc/02/73/25/1071027325.db2.gz DNCNBGHDGMCOSZ-LJQANCHMSA-N 1 0 463.630 3.624 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001313722547 1071027497 /nfs/dbraw/zinc/02/74/97/1071027497.db2.gz AIACWHPVYCJTTG-CYBMUJFWSA-N 1 0 467.462 3.730 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001313727033 1071036236 /nfs/dbraw/zinc/03/62/36/1071036236.db2.gz KOGUQJOBENNULB-TVZXLZGTSA-N 1 0 471.646 3.588 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001313724847 1071031597 /nfs/dbraw/zinc/03/15/97/1071031597.db2.gz SFEJOHUAWMMFTG-GOSISDBHSA-N 1 0 490.578 3.750 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001313725387 1071032660 /nfs/dbraw/zinc/03/26/60/1071032660.db2.gz YKHNGTBGAWZPNF-MRXNPFEDSA-N 1 0 490.521 3.961 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001313725964 1071034174 /nfs/dbraw/zinc/03/41/74/1071034174.db2.gz VXDGTQVCRCKZLL-GGAORHGYSA-N 1 0 482.673 3.643 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCOCC2(CC2)C1 ZINC001313727324 1071036625 /nfs/dbraw/zinc/03/66/25/1071036625.db2.gz PGBKGYBQLAWYMV-GOSISDBHSA-N 1 0 492.462 3.967 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001313726598 1071035210 /nfs/dbraw/zinc/03/52/10/1071035210.db2.gz CBCKLSKNRDRDAT-NFBKMPQASA-N 1 0 469.609 3.587 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001313727478 1071037142 /nfs/dbraw/zinc/03/71/42/1071037142.db2.gz AXDIGYWRCZFZMW-XLGIIRLISA-N 1 0 455.647 3.568 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc([C@H]2CCCOC2)n1CCC[NH+]1CCCC1 ZINC001314771966 1071037556 /nfs/dbraw/zinc/03/75/56/1071037556.db2.gz PPEMGSGEORKBSY-HNNXBMFYSA-N 1 0 458.554 3.770 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001313727889 1071038300 /nfs/dbraw/zinc/03/83/00/1071038300.db2.gz KVTVIXOSPDAUTR-QGZVFWFLSA-N 1 0 491.562 3.595 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001313727871 1071038310 /nfs/dbraw/zinc/03/83/10/1071038310.db2.gz JXHVREPBXFCWSQ-GOSISDBHSA-N 1 0 457.623 3.521 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314772697 1071039701 /nfs/dbraw/zinc/03/97/01/1071039701.db2.gz AZBGYBXEZPQNHX-FUHIMQAGSA-N 1 0 464.058 3.560 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314772549 1071039735 /nfs/dbraw/zinc/03/97/35/1071039735.db2.gz ZCDUZGRSNWKARC-CQSZACIVSA-N 1 0 485.580 3.605 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CC[C@](O)(c2ccccc2F)C1 ZINC001313728812 1071040718 /nfs/dbraw/zinc/04/07/18/1071040718.db2.gz WPKWPFJVJRNXSX-HOYKHHGWSA-N 1 0 457.619 3.898 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(-c2cccn2C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001313729892 1071042713 /nfs/dbraw/zinc/04/27/13/1071042713.db2.gz NPWMJDDGBZIUEO-SFHVURJKSA-N 1 0 458.557 3.557 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCCCO2)n1CC1([NH+](C)C)CCOCC1 ZINC001313731143 1071046536 /nfs/dbraw/zinc/04/65/36/1071046536.db2.gz PQKCPMLWOHAIRD-OAQYLSRUSA-N 1 0 463.573 3.935 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccn2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001313732163 1071049190 /nfs/dbraw/zinc/04/91/90/1071049190.db2.gz YSFIHNOEEJJRPL-QGZVFWFLSA-N 1 0 463.051 3.872 20 0 JHADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)cc1 ZINC001310001873 1071050488 /nfs/dbraw/zinc/05/04/88/1071050488.db2.gz VTAVMJKWEAPUQE-HSZRJFAPSA-N 1 0 458.628 3.748 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001313732816 1071050582 /nfs/dbraw/zinc/05/05/82/1071050582.db2.gz HZXHGEGIFALJHE-LJQANCHMSA-N 1 0 465.577 3.823 20 0 JHADRO COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC001310003771 1071051268 /nfs/dbraw/zinc/05/12/68/1071051268.db2.gz SHYVRQROHDHUTP-UHFFFAOYSA-N 1 0 454.571 3.726 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001313733919 1071053208 /nfs/dbraw/zinc/05/32/08/1071053208.db2.gz MVBSICZMSKWOBS-GOTSBHOMSA-N 1 0 494.640 3.796 20 0 JHADRO CC[N@H+](CCC1CCN(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC1)CC(C)C ZINC001310013853 1071058308 /nfs/dbraw/zinc/05/83/08/1071058308.db2.gz PKWJMACTIXHLIO-UHFFFAOYSA-N 1 0 457.663 3.686 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCCCC1 ZINC001313736504 1071058556 /nfs/dbraw/zinc/05/85/56/1071058556.db2.gz ZPJIKKHYDMTBCV-OAQYLSRUSA-N 1 0 454.619 3.529 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001313734239 1071054224 /nfs/dbraw/zinc/05/42/24/1071054224.db2.gz NWQDSOMWTVWHHQ-KNQAVFIVSA-N 1 0 456.610 3.907 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314783308 1071058960 /nfs/dbraw/zinc/05/89/60/1071058960.db2.gz RTDZHRJAAQTOSC-KRWDZBQOSA-N 1 0 453.965 3.927 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1CC1([NH+](C)C)CCOCC1 ZINC001313734716 1071055131 /nfs/dbraw/zinc/05/51/31/1071055131.db2.gz AQKQXKNUIHMZQK-UHFFFAOYSA-N 1 0 464.614 3.794 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCCCCNC(=O)OC(C)(C)C)CC1 ZINC001310018809 1071063449 /nfs/dbraw/zinc/06/34/49/1071063449.db2.gz MWDWGHXZMGTNHO-UHFFFAOYSA-N 1 0 454.015 3.908 20 0 JHADRO CN(CC1CC(F)C1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCCC1 ZINC001314786276 1071063674 /nfs/dbraw/zinc/06/36/74/1071063674.db2.gz UYDFGXLDTKPKGC-XVAXZDLZSA-N 1 0 494.656 3.647 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001310019284 1071064667 /nfs/dbraw/zinc/06/46/67/1071064667.db2.gz NOFHNNICJXXITA-QGZVFWFLSA-N 1 0 451.999 3.613 20 0 JHADRO CN(C[C@H]1CC=CCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314789506 1071066296 /nfs/dbraw/zinc/06/62/96/1071066296.db2.gz YYHJDWUQVNBXRP-VQTJNVASSA-N 1 0 451.619 3.838 20 0 JHADRO CN(C[C@H]1CC=CCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314789967 1071067237 /nfs/dbraw/zinc/06/72/37/1071067237.db2.gz IYKPMTCAHJWRCB-MYDTUXCISA-N 1 0 459.679 3.836 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CC4(C3)CCN(C(=O)OC(C)(C)C)CC4)cc2)CC1 ZINC001310035474 1071074653 /nfs/dbraw/zinc/07/46/53/1071074653.db2.gz ABHFZAVQWULUSP-UHFFFAOYSA-N 1 0 457.619 3.693 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[NH+]1CCCCC1 ZINC001313745075 1071072650 /nfs/dbraw/zinc/07/26/50/1071072650.db2.gz LLLPOGWNFLVICT-RUZDIDTESA-N 1 0 459.610 3.970 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313745481 1071074042 /nfs/dbraw/zinc/07/40/42/1071074042.db2.gz SLKLAWPNMSCYQO-WOJBJXKFSA-N 1 0 495.603 3.590 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](CO)c3ccccc3OC(F)(F)F)cc2)CC1 ZINC001310035628 1071074562 /nfs/dbraw/zinc/07/45/62/1071074562.db2.gz COWNTFWVULYXJT-LJQANCHMSA-N 1 0 452.477 3.582 20 0 JHADRO CN(CC1CCCCC1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCC(O)CC1 ZINC001314797499 1071075655 /nfs/dbraw/zinc/07/56/55/1071075655.db2.gz VPROZZGXTJFUIF-UHFFFAOYSA-N 1 0 479.467 3.899 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)Nc3nnc(-c4ccccc4)s3)CC2)cc1 ZINC001310039286 1071077754 /nfs/dbraw/zinc/07/77/54/1071077754.db2.gz SFLDNVBJKBRIMQ-UHFFFAOYSA-N 1 0 450.568 3.950 20 0 JHADRO CCN(Cc1cccs1)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+](C)C(C)C ZINC001313748261 1071078069 /nfs/dbraw/zinc/07/80/69/1071078069.db2.gz KBOLTOBQHLKFJV-UHFFFAOYSA-N 1 0 489.715 3.975 20 0 JHADRO CCN(Cc1cccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([NH+](C)C)CCC1 ZINC001313748020 1071078131 /nfs/dbraw/zinc/07/81/31/1071078131.db2.gz NGEVERXIJNFTIS-UHFFFAOYSA-N 1 0 473.668 3.921 20 0 JHADRO C[C@@H](CCNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)[NH+]1CCCCC1 ZINC001310043455 1071080618 /nfs/dbraw/zinc/08/06/18/1071080618.db2.gz RECMUNSLYKURQT-ZCNNSNEGSA-N 1 0 450.649 3.739 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc(Cc2c(F)cccc2F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314800958 1071081386 /nfs/dbraw/zinc/08/13/86/1071081386.db2.gz HCSHHDJNIKQMRY-UZUQRXQVSA-N 1 0 465.614 3.590 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001313752867 1071089705 /nfs/dbraw/zinc/08/97/05/1071089705.db2.gz MAUBSHAEQIZSLT-XZOQPEGZSA-N 1 0 467.618 3.591 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001313755749 1071096358 /nfs/dbraw/zinc/09/63/58/1071096358.db2.gz AIEWIVRKIHCOTI-NRFANRHFSA-N 1 0 486.665 3.596 20 0 JHADRO CCN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc(CC(C)(C)C)n1CC[NH+]1CCSCC1 ZINC001313756379 1071099142 /nfs/dbraw/zinc/09/91/42/1071099142.db2.gz CEBDHGRUNHREDP-UHFFFAOYSA-N 1 0 475.688 3.652 20 0 JHADRO CN(C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC001314809221 1071099375 /nfs/dbraw/zinc/09/93/75/1071099375.db2.gz CYTKJWJWUNSDDF-PZJWPPBQSA-N 1 0 495.628 3.929 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(COc2cc(C)cc(C)c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001313756585 1071099519 /nfs/dbraw/zinc/09/95/19/1071099519.db2.gz SSDLPAGJFIMFOC-NRFANRHFSA-N 1 0 451.619 3.718 20 0 JHADRO CN(C[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC[NH+]2CCCCCC2)C1)C(=O)OC(C)(C)C ZINC001314809476 1071100715 /nfs/dbraw/zinc/10/07/15/1071100715.db2.gz FIYCKUKZAWPQQY-NRFANRHFSA-N 1 0 483.661 3.909 20 0 JHADRO CN(C[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@]2([NH+](C)C)CCSC2)C1)C(=O)OC(C)(C)C ZINC001314810060 1071102047 /nfs/dbraw/zinc/10/20/47/1071102047.db2.gz IRPYNBFUJOCQDX-KOSHJBKYSA-N 1 0 480.723 3.706 20 0 JHADRO CCN(CC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313757943 1071103216 /nfs/dbraw/zinc/10/32/16/1071103216.db2.gz AIZBJUXIMYKAMS-HZPDHXFCSA-N 1 0 465.440 3.771 20 0 JHADRO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC001310105783 1071121073 /nfs/dbraw/zinc/12/10/73/1071121073.db2.gz QNOOMHMCFGBAMV-UHFFFAOYSA-N 1 0 454.619 3.592 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001313773069 1071126338 /nfs/dbraw/zinc/12/63/38/1071126338.db2.gz XYAHSMVGUAIETG-YJBOKZPZSA-N 1 0 465.440 3.534 20 0 JHADRO CCOC(=O)c1cnn(-c2ccc(NC(=O)N(CC[NH+](C)C)C(C)C)cc2)c1C(F)(F)F ZINC001310116398 1071128696 /nfs/dbraw/zinc/12/86/96/1071128696.db2.gz NLJJZLLXXHPJEG-UHFFFAOYSA-N 1 0 455.481 3.872 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314818521 1071129408 /nfs/dbraw/zinc/12/94/08/1071129408.db2.gz FJLZKWGPAYHRIJ-OAQYLSRUSA-N 1 0 456.566 3.551 20 0 JHADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)N(CC[NH+](C)C)C(C)C)c2)c1C(F)(F)F ZINC001310117168 1071130325 /nfs/dbraw/zinc/13/03/25/1071130325.db2.gz BRJGJLGFYWEFDF-UHFFFAOYSA-N 1 0 455.481 3.872 20 0 JHADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)N(C)CC[N@H+](C)C3CC3)c2)c1C(F)(F)F ZINC001310117219 1071130406 /nfs/dbraw/zinc/13/04/06/1071130406.db2.gz CYEBMFAUCQXXQX-UHFFFAOYSA-N 1 0 453.465 3.626 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(CCOc2ccccc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314820188 1071135375 /nfs/dbraw/zinc/13/53/75/1071135375.db2.gz XWSIKBLRKYNIRC-UHFFFAOYSA-N 1 0 485.673 3.857 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccccn2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314820387 1071136073 /nfs/dbraw/zinc/13/60/73/1071136073.db2.gz ZNWMQJXKYJJFCW-IBGZPJMESA-N 1 0 456.616 3.540 20 0 JHADRO Cc1cccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C(=O)N1CCCC1 ZINC001310125742 1071137028 /nfs/dbraw/zinc/13/70/28/1071137028.db2.gz AOQACNQTWIXTPU-JOCHJYFZSA-N 1 0 450.583 3.644 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001313780444 1071144708 /nfs/dbraw/zinc/14/47/08/1071144708.db2.gz MRGUYTSKHCKNQT-FSSWDIPSSA-N 1 0 490.693 3.738 20 0 JHADRO CN(CCC(F)(F)F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001314824244 1071147006 /nfs/dbraw/zinc/14/70/06/1071147006.db2.gz OSMIRVMJUGEVAJ-IAGOWNOFSA-N 1 0 461.573 3.696 20 0 JHADRO C[C@H]1CN(Cc2ccccc2NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@H](C)O1 ZINC001310139560 1071147609 /nfs/dbraw/zinc/14/76/09/1071147609.db2.gz MHRFPFRTWVFJAQ-VXKWHMMOSA-N 1 0 458.647 3.700 20 0 JHADRO 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JHADRO CNC(=O)C(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001314943773 1071397367 /nfs/dbraw/zinc/39/73/67/1071397367.db2.gz UERBPDWLMHBDPF-HXUWFJFHSA-N 1 0 470.687 3.716 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313867270 1071400054 /nfs/dbraw/zinc/40/00/54/1071400054.db2.gz IYFCQEKRTXAJOK-NHCUHLMSSA-N 1 0 470.662 3.897 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)C[NH+]1CCCC1 ZINC001314944807 1071400721 /nfs/dbraw/zinc/40/07/21/1071400721.db2.gz FXIKPPIUJWFFHU-CVEARBPZSA-N 1 0 467.445 3.802 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001314945560 1071402948 /nfs/dbraw/zinc/40/29/48/1071402948.db2.gz LBGWZEVVENNKHU-QHCPKHFHSA-N 1 0 496.700 3.620 20 0 JHADRO Cc1c(-c2ccccc2)sc(NC(=O)NCC[N@H+]2CC[C@@H](C)C2)c1C(=O)N1CCOCC1 ZINC001310463151 1071405837 /nfs/dbraw/zinc/40/58/37/1071405837.db2.gz VWHZQDRBLHAVRD-QGZVFWFLSA-N 1 0 456.612 3.659 20 0 JHADRO 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CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314949963 1071417012 /nfs/dbraw/zinc/41/70/12/1071417012.db2.gz WGROGHWHXPJODW-NTKDMRAZSA-N 1 0 492.672 3.664 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCc2nccs2)C[C@H]1C ZINC001313870632 1071414195 /nfs/dbraw/zinc/41/41/95/1071414195.db2.gz VEMCLPKJFTXSRX-MOPGFXCFSA-N 1 0 454.644 3.690 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCOC)C[C@@H]1C ZINC001313870878 1071415073 /nfs/dbraw/zinc/41/50/73/1071415073.db2.gz ROOSLAVIIFQTHL-VQTJNVASSA-N 1 0 478.682 3.738 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(F)(F)Br)C[C@H]1C ZINC001313870674 1071415162 /nfs/dbraw/zinc/41/51/62/1071415162.db2.gz VMZBVDGVBHEBMR-CVEARBPZSA-N 1 0 486.405 3.979 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313870731 1071415179 /nfs/dbraw/zinc/41/51/79/1071415179.db2.gz VVYPZPXLZZFSKJ-CMKODMSKSA-N 1 0 453.553 3.950 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC001313871946 1071419199 /nfs/dbraw/zinc/41/91/99/1071419199.db2.gz VWURENBFKSKMDG-DLBZAZTESA-N 1 0 468.005 3.919 20 0 JHADRO Cc1cc(NC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)nn1-c1cccc(F)c1 ZINC001310478160 1071419995 /nfs/dbraw/zinc/41/99/95/1071419995.db2.gz JHQLXNWBSXXFSZ-QHCPKHFHSA-N 1 0 450.562 3.820 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2CCc2ccn(C)n2)C[C@H]1C ZINC001313872432 1071421087 /nfs/dbraw/zinc/42/10/87/1071421087.db2.gz XHFGRAYTEGYACE-HZPDHXFCSA-N 1 0 490.425 3.742 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001313872569 1071421885 /nfs/dbraw/zinc/42/18/85/1071421885.db2.gz WWAGIIUJTAERET-JENIJYKNSA-N 1 0 451.537 3.962 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCc2c(F)cccc2F)C[C@H]1C ZINC001313873057 1071423700 /nfs/dbraw/zinc/42/37/00/1071423700.db2.gz BQOCCNGBUQDPIF-RTBURBONSA-N 1 0 457.573 3.580 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314954537 1071427987 /nfs/dbraw/zinc/42/79/87/1071427987.db2.gz LBARCOQDBPSYLS-RDPSFJRHSA-N 1 0 475.641 3.612 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2ccccc2)C[C@H]1C ZINC001313873515 1071425370 /nfs/dbraw/zinc/42/53/70/1071425370.db2.gz CSRUPFZXMQRLTB-ZCNNSNEGSA-N 1 0 466.655 3.992 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001313873750 1071426408 /nfs/dbraw/zinc/42/64/08/1071426408.db2.gz MCGFWXUQAOVOOU-IRXDYDNUSA-N 1 0 454.541 3.780 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2Cc2ccnc(C(F)(F)F)c2)C[C@@H]1C ZINC001313873757 1071426522 /nfs/dbraw/zinc/42/65/22/1071426522.db2.gz MCXKUQPTBRWOKW-DLBZAZTESA-N 1 0 459.520 3.645 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001314954039 1071426696 /nfs/dbraw/zinc/42/66/96/1071426696.db2.gz PTNHTBBGHRVUAN-VQTJNVASSA-N 1 0 465.646 3.757 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC001313874575 1071429509 /nfs/dbraw/zinc/42/95/09/1071429509.db2.gz AIFOOPFSJLRRTA-HSZRJFAPSA-N 1 0 468.646 3.888 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313875339 1071433896 /nfs/dbraw/zinc/43/38/96/1071433896.db2.gz RTTSYFDXRWOOMV-SLFFLAALSA-N 1 0 469.634 3.659 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(F)cn2)C[C@H]1C ZINC001313874728 1071430364 /nfs/dbraw/zinc/43/03/64/1071430364.db2.gz JUKZFYTVWITCNH-WOJBJXKFSA-N 1 0 452.578 3.975 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccccc2C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314959610 1071432698 /nfs/dbraw/zinc/43/26/98/1071432698.db2.gz YETFUVULYKNHDG-TZIWHRDSSA-N 1 0 454.663 3.506 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccccc2Cl)C[C@@H]1C ZINC001313876587 1071438167 /nfs/dbraw/zinc/43/81/67/1071438167.db2.gz UIOKWUZGGWLTCR-XFAGBWLFSA-N 1 0 455.006 3.820 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccc(Br)c3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001313876498 1071438234 /nfs/dbraw/zinc/43/82/34/1071438234.db2.gz KXLYHFMDCZQCCK-UHFFFAOYSA-N 1 0 491.478 3.792 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2ccc(F)cc2)C[C@@H]1C ZINC001313876869 1071439193 /nfs/dbraw/zinc/43/91/93/1071439193.db2.gz SNYWXXIKQQRFHA-SLFFLAALSA-N 1 0 452.578 3.789 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCCO[C@H]2CCOC2)C[C@H]1C ZINC001313875534 1071434840 /nfs/dbraw/zinc/43/48/40/1071434840.db2.gz MOKMIBOKRVPTJQ-GPXNEJASSA-N 1 0 471.646 3.588 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001313875577 1071435179 /nfs/dbraw/zinc/43/51/79/1071435179.db2.gz AJOQIELADPPNIN-LJQANCHMSA-N 1 0 486.636 3.784 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313875630 1071435288 /nfs/dbraw/zinc/43/52/88/1071435288.db2.gz BYPAYDNBPIWHCX-PMACEKPBSA-N 1 0 473.687 3.953 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313875631 1071435359 /nfs/dbraw/zinc/43/53/59/1071435359.db2.gz BYPAYDNBPIWHCX-WOJBJXKFSA-N 1 0 473.687 3.953 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313875629 1071435380 /nfs/dbraw/zinc/43/53/80/1071435380.db2.gz BYPAYDNBPIWHCX-BGYRXZFFSA-N 1 0 473.687 3.953 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCOc2cccc(Cl)c2)C[C@@H]1C ZINC001313875550 1071435475 /nfs/dbraw/zinc/43/54/75/1071435475.db2.gz MSDIELQOLCNZLM-VQTJNVASSA-N 1 0 472.037 3.791 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2snnc2C)C[C@@H]1C ZINC001313876994 1071439966 /nfs/dbraw/zinc/43/99/66/1071439966.db2.gz QAJODEGOSROPQS-ROUUACIJSA-N 1 0 455.632 3.601 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC001313877417 1071441652 /nfs/dbraw/zinc/44/16/52/1071441652.db2.gz TYFWHRZKNBDFBT-QZTJIDSGSA-N 1 0 455.006 3.893 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2cnccn2)CC1 ZINC001313877552 1071442414 /nfs/dbraw/zinc/44/24/14/1071442414.db2.gz VMYGUGCUMDSAAW-UHFFFAOYSA-N 1 0 465.602 3.511 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001314964262 1071443128 /nfs/dbraw/zinc/44/31/28/1071443128.db2.gz OHIPYMATWPZIBF-QGZVFWFLSA-N 1 0 491.105 3.917 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001313878147 1071443689 /nfs/dbraw/zinc/44/36/89/1071443689.db2.gz VJKVCZDRFMGETE-ZWKOTPCHSA-N 1 0 489.546 3.567 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001313878484 1071444474 /nfs/dbraw/zinc/44/44/74/1071444474.db2.gz YPAYYGGUFVHKSE-JAXLGGSGSA-N 1 0 494.606 3.826 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCCOC2)C[C@H]1C ZINC001313878343 1071444556 /nfs/dbraw/zinc/44/45/56/1071444556.db2.gz UHRDZQYIOHSZTN-QYZOEREBSA-N 1 0 492.462 3.965 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccc(Cl)c3)nnc2N(C)CCS(=O)(=O)CC)CC1 ZINC001313877267 1071440857 /nfs/dbraw/zinc/44/08/57/1071440857.db2.gz SLWNAUWDMNMLPY-UHFFFAOYSA-N 1 0 468.067 3.591 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOc2ccc(OC)cc2)C[C@H]1C ZINC001313878785 1071446012 /nfs/dbraw/zinc/44/60/12/1071446012.db2.gz VRLKIABPQCJTDN-FGZHOGPDSA-N 1 0 481.645 3.536 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314965580 1071447072 /nfs/dbraw/zinc/44/70/72/1071447072.db2.gz VOAFWCSVDOYQIO-LJQANCHMSA-N 1 0 490.743 3.525 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313880200 1071451910 /nfs/dbraw/zinc/45/19/10/1071451910.db2.gz QMVUPSQOQKXMJB-JOCHJYFZSA-N 1 0 491.677 3.856 20 0 JHADRO CC[NH+]1CCC(CCn2c(CC(C)(C)C)nnc2N2CCN([C@@H](C)c3nc(C)no3)CC2)CC1 ZINC001313879301 1071449480 /nfs/dbraw/zinc/44/94/80/1071449480.db2.gz AJPXNLFLFSBERC-IBGZPJMESA-N 1 0 472.682 3.563 20 0 JHADRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2Cl)n1CCC1CC[NH+](CC)CC1 ZINC001313880638 1071452531 /nfs/dbraw/zinc/45/25/31/1071452531.db2.gz KETGEVPHQLLKFR-UHFFFAOYSA-N 1 0 468.067 3.591 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)OC)CC1 ZINC001313880548 1071452556 /nfs/dbraw/zinc/45/25/56/1071452556.db2.gz WXFUZWGGOPAPDT-LJQANCHMSA-N 1 0 450.628 3.512 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cnccn3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001313882142 1071457478 /nfs/dbraw/zinc/45/74/78/1071457478.db2.gz VXIWPBAMCCJHSL-NRFANRHFSA-N 1 0 498.676 3.550 20 0 JHADRO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2CCC2CC[NH+](CC)CC2)CC1=O ZINC001313881339 1071455293 /nfs/dbraw/zinc/45/52/93/1071455293.db2.gz JDCLLFHFSHVPNY-UHFFFAOYSA-N 1 0 482.673 3.655 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(Cn3ccc4ccccc43)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001314969222 1071455495 /nfs/dbraw/zinc/45/54/95/1071455495.db2.gz DOJKYFKQDUXKDE-MHZLTWQESA-N 1 0 479.673 3.752 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001313881707 1071456159 /nfs/dbraw/zinc/45/61/59/1071456159.db2.gz NPQKQFRPVKQAAH-VSKRKVRLSA-N 1 0 490.693 3.644 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001313885183 1071466425 /nfs/dbraw/zinc/46/64/25/1071466425.db2.gz XXHNHGABMSMPSO-SJORKVTESA-N 1 0 476.000 3.922 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3OC)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001313886995 1071471297 /nfs/dbraw/zinc/47/12/97/1071471297.db2.gz SAQSARJGORNXME-GAJHUEQPSA-N 1 0 481.563 3.825 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001313886764 1071471427 /nfs/dbraw/zinc/47/14/27/1071471427.db2.gz QSGXWXVQDACLKW-OAHLLOKOSA-N 1 0 453.484 3.774 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 ZINC001313888034 1071475137 /nfs/dbraw/zinc/47/51/37/1071475137.db2.gz FXKXLRRSESCZGF-LSDHHAIUSA-N 1 0 482.448 3.500 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(CCCCO)C2CC2)C1 ZINC001313887886 1071475167 /nfs/dbraw/zinc/47/51/67/1071475167.db2.gz YKGQHYVKFFNXPS-MRXNPFEDSA-N 1 0 480.426 3.930 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001314978305 1071475649 /nfs/dbraw/zinc/47/56/49/1071475649.db2.gz AQNZNMOHXFFOKJ-CDNPAEQRSA-N 1 0 482.673 3.675 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001313888220 1071475819 /nfs/dbraw/zinc/47/58/19/1071475819.db2.gz AEFIUIWREUYGQI-XPNTWCBSSA-N 1 0 455.647 3.838 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001313888424 1071476854 /nfs/dbraw/zinc/47/68/54/1071476854.db2.gz HYENKKOEXLJXJN-INIZCTEOSA-N 1 0 488.961 3.963 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N(C)CCCCCO)C1 ZINC001313888454 1071477603 /nfs/dbraw/zinc/47/76/03/1071477603.db2.gz ICSKGOJSUPJYRI-OAHLLOKOSA-N 1 0 456.454 3.710 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N(C)[C@H]2CCSC2)C1 ZINC001313888811 1071478448 /nfs/dbraw/zinc/47/84/48/1071478448.db2.gz DPEPBCSHQVLDEA-AEFFLSMTSA-N 1 0 480.476 3.903 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001314980374 1071482014 /nfs/dbraw/zinc/48/20/14/1071482014.db2.gz UDDOTSOJJISFIM-FGZHOGPDSA-N 1 0 482.654 3.880 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](OCCOC)C2)C1 ZINC001313891105 1071483903 /nfs/dbraw/zinc/48/39/03/1071483903.db2.gz RJUAEACMCYWJFL-SJLPKXTDSA-N 1 0 468.429 3.835 20 0 JHADRO CNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC001314981288 1071484342 /nfs/dbraw/zinc/48/43/42/1071484342.db2.gz DWAYUISWCMHITE-HSZRJFAPSA-N 1 0 466.674 3.977 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H](C(F)F)C2)C1 ZINC001313891143 1071484730 /nfs/dbraw/zinc/48/47/30/1071484730.db2.gz SWDJQWBZUGQKPI-CADBVGFASA-N 1 0 482.620 3.872 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(N(C)[C@@H](C)c3cccc(O)c3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001313891154 1071484739 /nfs/dbraw/zinc/48/47/39/1071484739.db2.gz SZPLZJDNGCMVGA-RLSLOFABSA-N 1 0 457.619 3.564 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CC[N@H+](CC)C2)C1)CC(F)(F)F ZINC001313892332 1071487023 /nfs/dbraw/zinc/48/70/23/1071487023.db2.gz XXMWTRYVODQZDJ-MOPGFXCFSA-N 1 0 468.568 3.899 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCSC[C@H]2C)C1 ZINC001313892717 1071488714 /nfs/dbraw/zinc/48/87/14/1071488714.db2.gz ZKTAZADYSVECKI-CVEARBPZSA-N 1 0 450.450 3.991 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(OC)c(OC)cc2C)C1 ZINC001313893324 1071489446 /nfs/dbraw/zinc/48/94/46/1071489446.db2.gz CVONEOJPJMAYMN-OAQYLSRUSA-N 1 0 464.614 3.568 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313893344 1071490204 /nfs/dbraw/zinc/49/02/04/1071490204.db2.gz DBRZUAWTBZYNRQ-YZGWKJHDSA-N 1 0 474.675 3.622 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313895642 1071497801 /nfs/dbraw/zinc/49/78/01/1071497801.db2.gz AVLOFYDTTXZXAL-PXDATVDWSA-N 1 0 489.064 3.741 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314986002 1071493905 /nfs/dbraw/zinc/49/39/05/1071493905.db2.gz OZCHLKCYOHHUPV-JSXRDJHFSA-N 1 0 486.636 3.640 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1Cc2ccc(Br)cc2C1 ZINC001313894765 1071494057 /nfs/dbraw/zinc/49/40/57/1071494057.db2.gz XGQPVAOLZZFRGM-UZLBHIALSA-N 1 0 478.435 3.769 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313894753 1071494091 /nfs/dbraw/zinc/49/40/91/1071494091.db2.gz CEPJVQBWYIILGG-HKUYNNGSSA-N 1 0 458.607 3.776 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313895295 1071496290 /nfs/dbraw/zinc/49/62/90/1071496290.db2.gz ZPIBMGUXVPLBMR-OQLXKQOESA-N 1 0 488.652 3.587 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCS(=O)(=O)CC ZINC001313895341 1071496532 /nfs/dbraw/zinc/49/65/32/1071496532.db2.gz GWQHEWPLGSYOBK-IBGZPJMESA-N 1 0 479.716 3.631 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001313895359 1071496547 /nfs/dbraw/zinc/49/65/47/1071496547.db2.gz HGTBCNIBHITMHP-HSZRJFAPSA-N 1 0 452.647 3.832 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001313895897 1071498711 /nfs/dbraw/zinc/49/87/11/1071498711.db2.gz LMPZZVQRECDKLA-SCTDSRPQSA-N 1 0 481.613 3.560 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314987302 1071498894 /nfs/dbraw/zinc/49/88/94/1071498894.db2.gz BTDSZMHQPZMSML-TZIWHRDSSA-N 1 0 473.065 3.749 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001314987578 1071499545 /nfs/dbraw/zinc/49/95/45/1071499545.db2.gz CFSRJVHZZBUFOT-HSZRJFAPSA-N 1 0 484.664 3.729 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314988739 1071502068 /nfs/dbraw/zinc/50/20/68/1071502068.db2.gz MAGQJENSXGHJCF-QWFCFKBJSA-N 1 0 490.599 3.629 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001314990985 1071505635 /nfs/dbraw/zinc/50/56/35/1071505635.db2.gz HBFCDBHNIQYUJX-OAQYLSRUSA-N 1 0 479.629 3.681 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001314990544 1071505668 /nfs/dbraw/zinc/50/56/68/1071505668.db2.gz PBWBTNDSAUULBX-FQEVSTJZSA-N 1 0 473.065 3.749 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001313899723 1071508755 /nfs/dbraw/zinc/50/87/55/1071508755.db2.gz KBVSOLJCEIFNML-FQEVSTJZSA-N 1 0 456.635 3.523 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCOC)CC(C)C ZINC001313898529 1071505818 /nfs/dbraw/zinc/50/58/18/1071505818.db2.gz AZRDKXVAMICAAQ-FCHUYYIVSA-N 1 0 492.709 3.986 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314992192 1071508287 /nfs/dbraw/zinc/50/82/87/1071508287.db2.gz ANFQFYCFFZFKPF-HSALFYBXSA-N 1 0 489.064 3.593 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001313900600 1071509483 /nfs/dbraw/zinc/50/94/83/1071509483.db2.gz QKLIEKWXYMGHAY-NJDAHSKKSA-N 1 0 490.693 3.943 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001313900190 1071509554 /nfs/dbraw/zinc/50/95/54/1071509554.db2.gz MICKSFVSXXQYIM-JTHBVZDNSA-N 1 0 496.700 3.741 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001314993113 1071509737 /nfs/dbraw/zinc/50/97/37/1071509737.db2.gz FQYGYIZDSFKURZ-PKTZIBPZSA-N 1 0 482.673 3.701 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001313901343 1071510916 /nfs/dbraw/zinc/51/09/16/1071510916.db2.gz WGGMWPUAOUGYJC-JOCHJYFZSA-N 1 0 452.647 3.704 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313901284 1071511137 /nfs/dbraw/zinc/51/11/37/1071511137.db2.gz FQWATBIDMZCWRN-WOJBJXKFSA-N 1 0 456.610 3.557 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001313901344 1071511160 /nfs/dbraw/zinc/51/11/60/1071511160.db2.gz WGGMWPUAOUGYJC-QFIPXVFZSA-N 1 0 452.647 3.704 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001313901696 1071511602 /nfs/dbraw/zinc/51/16/02/1071511602.db2.gz SRRBHLULGDVMOE-RBBKRZOGSA-N 1 0 484.664 3.871 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F ZINC001313901605 1071511748 /nfs/dbraw/zinc/51/17/48/1071511748.db2.gz YJZPXZRAFVWIAE-ROUUACIJSA-N 1 0 470.609 3.968 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313901609 1071511906 /nfs/dbraw/zinc/51/19/06/1071511906.db2.gz SGBHHZHHGKYMPI-HNNXBMFYSA-N 1 0 473.490 3.525 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313901797 1071512669 /nfs/dbraw/zinc/51/26/69/1071512669.db2.gz HBMBXPTYBIIXTF-CTNGQTDRSA-N 1 0 485.677 3.898 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313903068 1071514724 /nfs/dbraw/zinc/51/47/24/1071514724.db2.gz BLVGQLVZXMPKON-KBMIEXCESA-N 1 0 473.618 3.588 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001313903651 1071516072 /nfs/dbraw/zinc/51/60/72/1071516072.db2.gz DATYICUAYYESBR-SVFBPWRDSA-N 1 0 459.660 3.705 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001314997510 1071516486 /nfs/dbraw/zinc/51/64/86/1071516486.db2.gz UNTUGBAKKUCSSI-CWJKEVGVSA-N 1 0 488.702 3.524 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313903877 1071516794 /nfs/dbraw/zinc/51/67/94/1071516794.db2.gz FKKSNTUAKQIXLB-DENIHFKCSA-N 1 0 486.636 3.784 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001314999428 1071520247 /nfs/dbraw/zinc/52/02/47/1071520247.db2.gz BDTZRDBEIQYHKD-BGYRXZFFSA-N 1 0 470.637 3.805 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@@H](C)C1 ZINC001313904201 1071517317 /nfs/dbraw/zinc/51/73/17/1071517317.db2.gz QFKMTGBABBATGZ-PZJWPPBQSA-N 1 0 462.038 3.961 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314998879 1071519218 /nfs/dbraw/zinc/51/92/18/1071519218.db2.gz XJIUFQCCCJDRMF-LADGPHEKSA-N 1 0 466.674 3.680 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc(Cl)ccc1OC ZINC001313904950 1071519797 /nfs/dbraw/zinc/51/97/97/1071519797.db2.gz KHIKEOKRDXSDAC-WEYGHZABSA-N 1 0 478.037 3.785 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001315001357 1071524566 /nfs/dbraw/zinc/52/45/66/1071524566.db2.gz HTASPVNGLVENCG-UHFFFAOYSA-N 1 0 458.695 3.731 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313906785 1071525897 /nfs/dbraw/zinc/52/58/97/1071525897.db2.gz ZZMKKTZCUYEZGG-GOSISDBHSA-N 1 0 478.588 3.772 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(N(C)Cc2ccc(Br)o2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313907157 1071526630 /nfs/dbraw/zinc/52/66/30/1071526630.db2.gz YREPQKFAYWOOET-VGOFRKELSA-N 1 0 496.450 3.795 20 0 JHADRO CNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001315002414 1071527054 /nfs/dbraw/zinc/52/70/54/1071527054.db2.gz ZNBWCWFNQHPSJI-VXKWHMMOSA-N 1 0 496.700 3.884 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001313907577 1071528158 /nfs/dbraw/zinc/52/81/58/1071528158.db2.gz IIGXHTBQIYPSTO-SIKLNZKXSA-N 1 0 454.663 3.935 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001315002952 1071528250 /nfs/dbraw/zinc/52/82/50/1071528250.db2.gz JSDFEAFIEZZQFS-GOSISDBHSA-N 1 0 491.105 3.918 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313908209 1071529549 /nfs/dbraw/zinc/52/95/49/1071529549.db2.gz BLVSRNBTDSNQCE-QUCCMNQESA-N 1 0 470.643 3.749 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001313908382 1071530217 /nfs/dbraw/zinc/53/02/17/1071530217.db2.gz NFCYCYSXSYOGOZ-OAQYLSRUSA-N 1 0 481.645 3.823 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001313909203 1071531632 /nfs/dbraw/zinc/53/16/32/1071531632.db2.gz CFTCKHXCCZQPAF-LEWJYISDSA-N 1 0 476.666 3.697 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](SC)C1 ZINC001313910041 1071533733 /nfs/dbraw/zinc/53/37/33/1071533733.db2.gz UNFZZMQZIKRWPC-RTWAWAEBSA-N 1 0 491.727 3.945 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313910821 1071536569 /nfs/dbraw/zinc/53/65/69/1071536569.db2.gz HNOVPCCEPMKGKB-FCHUYYIVSA-N 1 0 470.637 3.623 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 ZINC001313910820 1071536591 /nfs/dbraw/zinc/53/65/91/1071536591.db2.gz HNBYUAFBMOTZEG-PWRODBHTSA-N 1 0 476.666 3.697 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1nc(CCOC)no1 ZINC001313910526 1071534489 /nfs/dbraw/zinc/53/44/89/1071534489.db2.gz VXBZONAGTAWFJH-QGZVFWFLSA-N 1 0 491.999 3.820 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001313910833 1071537108 /nfs/dbraw/zinc/53/71/08/1071537108.db2.gz ZQRMPFWKFIJEBO-ISKFKSNPSA-N 1 0 466.674 3.631 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1F ZINC001313910858 1071537181 /nfs/dbraw/zinc/53/71/81/1071537181.db2.gz ZVJPWFGMSSUQOX-LJQANCHMSA-N 1 0 470.618 3.920 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313911169 1071537568 /nfs/dbraw/zinc/53/75/68/1071537568.db2.gz IJVMZMRTBKYZDN-JOCHJYFZSA-N 1 0 473.065 3.879 20 0 JHADRO CNC(=O)CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001315017702 1071538130 /nfs/dbraw/zinc/53/81/30/1071538130.db2.gz WKGMQJKCIDVAPN-PMACEKPBSA-N 1 0 486.636 3.642 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001313912109 1071538310 /nfs/dbraw/zinc/53/83/10/1071538310.db2.gz MMKORZHCSVHQTG-FCHUYYIVSA-N 1 0 468.646 3.657 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313911922 1071538382 /nfs/dbraw/zinc/53/83/82/1071538382.db2.gz SPBREKSJBXITGJ-QFIPXVFZSA-N 1 0 483.661 3.828 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1=O ZINC001313912561 1071540574 /nfs/dbraw/zinc/54/05/74/1071540574.db2.gz CBBFGJWJYWVZEG-NRFANRHFSA-N 1 0 477.028 3.917 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313914451 1071547305 /nfs/dbraw/zinc/54/73/05/1071547305.db2.gz NFKOCSNZYJEFQA-NLFFAJNJSA-N 1 0 457.619 3.745 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCc1cnccn1 ZINC001313914438 1071547335 /nfs/dbraw/zinc/54/73/35/1071547335.db2.gz NBQVWFVTJSBBOZ-HSZRJFAPSA-N 1 0 463.630 3.817 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313913317 1071542791 /nfs/dbraw/zinc/54/27/91/1071542791.db2.gz XBAFDCOZRXXXJZ-CTNGQTDRSA-N 1 0 469.634 3.660 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313913367 1071542832 /nfs/dbraw/zinc/54/28/32/1071542832.db2.gz XUNAGAYIMACXLU-PMACEKPBSA-N 1 0 469.634 3.708 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315025932 1071550369 /nfs/dbraw/zinc/55/03/69/1071550369.db2.gz APBGUCUYACMWCM-QFIPXVFZSA-N 1 0 479.654 3.764 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001313915773 1071550862 /nfs/dbraw/zinc/55/08/62/1071550862.db2.gz LGSZKGONPFCJTN-BGYRXZFFSA-N 1 0 470.637 3.899 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1=O ZINC001313916008 1071552111 /nfs/dbraw/zinc/55/21/11/1071552111.db2.gz QLGWGXSXBOUPKT-QFIPXVFZSA-N 1 0 452.647 3.680 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001315027412 1071554080 /nfs/dbraw/zinc/55/40/80/1071554080.db2.gz RBCUYLAJVLETFL-QGZVFWFLSA-N 1 0 465.017 3.822 20 0 JHADRO CCN1CCCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1=O ZINC001313917828 1071555141 /nfs/dbraw/zinc/55/51/41/1071555141.db2.gz CCFQFQXXNSPABG-OAQYLSRUSA-N 1 0 475.641 3.837 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCC2CC2)CC1 ZINC001313919424 1071556773 /nfs/dbraw/zinc/55/67/73/1071556773.db2.gz BGSACBKQZRCZKM-SFHVURJKSA-N 1 0 475.479 3.970 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001315029081 1071557472 /nfs/dbraw/zinc/55/74/72/1071557472.db2.gz QESMVMXWXHQZPK-HXUWFJFHSA-N 1 0 489.462 3.687 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001315030121 1071558812 /nfs/dbraw/zinc/55/88/12/1071558812.db2.gz QIAAVKFQYBZPHY-JOCHJYFZSA-N 1 0 470.637 3.768 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313921859 1071562601 /nfs/dbraw/zinc/56/26/01/1071562601.db2.gz TWYKYMCHMFJLRE-DENIHFKCSA-N 1 0 461.054 3.659 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313921922 1071563272 /nfs/dbraw/zinc/56/32/72/1071563272.db2.gz UGVWSHNSAHLGHW-QGZVFWFLSA-N 1 0 497.432 3.887 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001315032386 1071563344 /nfs/dbraw/zinc/56/33/44/1071563344.db2.gz DPBCQWVKCTWZFV-UHFFFAOYSA-N 1 0 480.682 3.935 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC001313922288 1071563588 /nfs/dbraw/zinc/56/35/88/1071563588.db2.gz UXPLUNRFYNQHDD-OAHLLOKOSA-N 1 0 470.506 3.749 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001313924071 1071568882 /nfs/dbraw/zinc/56/88/82/1071568882.db2.gz YDTLWZSSYHHSLQ-LEWJYISDSA-N 1 0 483.661 3.582 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001313925239 1071572721 /nfs/dbraw/zinc/57/27/21/1071572721.db2.gz NVTZWLMVEOJQDX-UMFSSWHCSA-N 1 0 498.716 3.603 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001313925425 1071574046 /nfs/dbraw/zinc/57/40/46/1071574046.db2.gz QCGLDSOFDCMISZ-KRWDZBQOSA-N 1 0 490.002 3.934 20 0 JHADRO CNC(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315042311 1071574132 /nfs/dbraw/zinc/57/41/32/1071574132.db2.gz GOWXYYDQUHPVIW-SFHVURJKSA-N 1 0 472.703 3.826 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313925503 1071574165 /nfs/dbraw/zinc/57/41/65/1071574165.db2.gz RXUHUTNFZFVTQM-NBGIEHNGSA-N 1 0 458.626 3.506 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313925504 1071574185 /nfs/dbraw/zinc/57/41/85/1071574185.db2.gz RXUHUTNFZFVTQM-NLFFAJNJSA-N 1 0 458.626 3.506 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313926165 1071575468 /nfs/dbraw/zinc/57/54/68/1071575468.db2.gz ALIOSHZPZDIGAX-NRFANRHFSA-N 1 0 476.616 3.735 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313926199 1071576249 /nfs/dbraw/zinc/57/62/49/1071576249.db2.gz BLGULLBDZPYVRJ-GOTSBHOMSA-N 1 0 484.689 3.504 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC=CCC2)CC1 ZINC001313926313 1071576269 /nfs/dbraw/zinc/57/62/69/1071576269.db2.gz XBONBKPBNJNLFS-NRFANRHFSA-N 1 0 468.646 3.533 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313926523 1071576903 /nfs/dbraw/zinc/57/69/03/1071576903.db2.gz DGYASEVZZROVHD-BKMJKUGQSA-N 1 0 454.663 3.818 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313927051 1071578655 /nfs/dbraw/zinc/57/86/55/1071578655.db2.gz ZCRAWWOCCROSFV-LEWJYISDSA-N 1 0 494.606 3.827 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313927639 1071581275 /nfs/dbraw/zinc/58/12/75/1071581275.db2.gz JLVJNSNPZRBRBO-LGVFNWMJSA-N 1 0 470.662 3.752 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001315054422 1071579517 /nfs/dbraw/zinc/57/95/17/1071579517.db2.gz CXMIUWNJESHRBD-UHFFFAOYSA-N 1 0 474.053 3.716 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313927603 1071580806 /nfs/dbraw/zinc/58/08/06/1071580806.db2.gz KQTFLJCCFVLEDR-IDISGSTGSA-N 1 0 486.680 3.675 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313928010 1071582420 /nfs/dbraw/zinc/58/24/20/1071582420.db2.gz MVZAQPSAUHJTGI-ZCYQVOJMSA-N 1 0 498.716 3.710 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NC(C)C)C[C@H]1C ZINC001313928304 1071583302 /nfs/dbraw/zinc/58/33/02/1071583302.db2.gz ACUYTIPKMSSCJH-RTBURBONSA-N 1 0 477.053 3.743 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001313928296 1071583346 /nfs/dbraw/zinc/58/33/46/1071583346.db2.gz UEEUXSHXDUWRTJ-IEBWSBKVSA-N 1 0 467.083 3.897 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313928675 1071584709 /nfs/dbraw/zinc/58/47/09/1071584709.db2.gz CGQIAZKQEKUAPV-PMACEKPBSA-N 1 0 467.593 3.985 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001313928962 1071585184 /nfs/dbraw/zinc/58/51/84/1071585184.db2.gz DXXZSMOLKRWRFD-UXHICEINSA-N 1 0 491.080 3.713 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCC=C(C)C2)CC1 ZINC001313929019 1071585861 /nfs/dbraw/zinc/58/58/61/1071585861.db2.gz XAIPLJUMMZUDJJ-QHCPKHFHSA-N 1 0 452.647 3.656 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001313929673 1071587199 /nfs/dbraw/zinc/58/71/99/1071587199.db2.gz SZYULJKWYJOHCQ-JOCHJYFZSA-N 1 0 466.674 3.602 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313929712 1071587304 /nfs/dbraw/zinc/58/73/04/1071587304.db2.gz UEBJOTBFESTKHK-QFIPXVFZSA-N 1 0 479.648 3.844 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2cccn2)C[C@H]1C ZINC001313930391 1071589646 /nfs/dbraw/zinc/58/96/46/1071589646.db2.gz MFLKLTAJUYYSJY-MOPGFXCFSA-N 1 0 458.010 3.889 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)C[C@H]1C ZINC001313930927 1071591079 /nfs/dbraw/zinc/59/10/79/1071591079.db2.gz OHIDDHAUIJVCPS-MOPGFXCFSA-N 1 0 467.593 3.597 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H]2COCCO2)C[C@H]1C ZINC001313932772 1071596188 /nfs/dbraw/zinc/59/61/88/1071596188.db2.gz XGQMLGMGLKURNQ-SVFBPWRDSA-N 1 0 478.037 3.634 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccnc(OC(F)F)c2)C[C@@H]1C ZINC001313933721 1071598988 /nfs/dbraw/zinc/59/89/88/1071598988.db2.gz NCAYDAQFENJRON-INIZCTEOSA-N 1 0 488.539 3.537 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(N(C)Cc4ccc(F)cc4)nnc3C(C)(C)C)cn2)CC1 ZINC001313934784 1071603514 /nfs/dbraw/zinc/60/35/14/1071603514.db2.gz SUHSPFGMGUDEKK-UHFFFAOYSA-N 1 0 465.621 3.936 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)(C)C)nnc3N3CC[C@@H](OCC(C)C)C3)cn2)CC1 ZINC001313933801 1071599812 /nfs/dbraw/zinc/59/98/12/1071599812.db2.gz LSNHUFNCPSQYGJ-HSZRJFAPSA-N 1 0 483.705 3.703 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCCC2(C)C)C[C@H]1C ZINC001313935462 1071606136 /nfs/dbraw/zinc/60/61/36/1071606136.db2.gz WYYMLHSSAZQIKA-ZHRRBRCNSA-N 1 0 479.467 3.518 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2cccs2)C[C@@H]1C ZINC001313935670 1071606529 /nfs/dbraw/zinc/60/65/29/1071606529.db2.gz YPCWSYPHXWVAAI-IBGZPJMESA-N 1 0 452.628 3.982 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](Cc2ccccc2)OC)C[C@H]1C ZINC001313936545 1071608533 /nfs/dbraw/zinc/60/85/33/1071608533.db2.gz PYVJIKQLBZWQKV-NQIIRXRSSA-N 1 0 455.006 3.782 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)C2CC2)C[C@H]1C ZINC001313936654 1071609044 /nfs/dbraw/zinc/60/90/44/1071609044.db2.gz HJOOMXFDFYSLTP-CTNGQTDRSA-N 1 0 490.693 3.943 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@](C)(O)C2CC2)C[C@H]1C ZINC001313937449 1071610139 /nfs/dbraw/zinc/61/01/39/1071610139.db2.gz ULJPUIWKPJXJSA-SZNDQCEHSA-N 1 0 466.399 3.538 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2sc(C)nc2C)C[C@@H]1C ZINC001313937494 1071611357 /nfs/dbraw/zinc/61/13/57/1071611357.db2.gz VKNPXMNGDMVXJR-INIZCTEOSA-N 1 0 470.643 3.809 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313937490 1071611493 /nfs/dbraw/zinc/61/14/93/1071611493.db2.gz VIBOHNZSWJHKCO-MOPGFXCFSA-N 1 0 472.634 3.645 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)c2ccc(Cl)cc2)C[C@@H]1C ZINC001313941173 1071616106 /nfs/dbraw/zinc/61/61/06/1071616106.db2.gz ACJDBQNIONMFRD-UGKGYDQZSA-N 1 0 472.037 3.711 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(F)cccc2SC)C[C@@H]1C ZINC001313941421 1071617143 /nfs/dbraw/zinc/61/71/43/1071617143.db2.gz CRBQPTVHQQJYSR-SFHVURJKSA-N 1 0 457.623 3.579 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccc2Cl)C[C@H]1C ZINC001313941308 1071617153 /nfs/dbraw/zinc/61/71/53/1071617153.db2.gz BDYICUVZIIYRLX-QGZVFWFLSA-N 1 0 473.046 3.696 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCCC(C)C)C[C@@H]1C ZINC001313942111 1071619630 /nfs/dbraw/zinc/61/96/30/1071619630.db2.gz DIBPEEDZLWFJIS-PCCBWWKXSA-N 1 0 478.682 3.642 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001313942642 1071620754 /nfs/dbraw/zinc/62/07/54/1071620754.db2.gz JOABDOGGDOEKID-GGAORHGYSA-N 1 0 498.716 3.688 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2OCC(C)C)C[C@H]1C ZINC001313942542 1071620856 /nfs/dbraw/zinc/62/08/56/1071620856.db2.gz JRGSWPLPTLQMDF-JOCHJYFZSA-N 1 0 465.646 3.753 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313945534 1071626707 /nfs/dbraw/zinc/62/67/07/1071626707.db2.gz IYOAPJPEWHTTPR-OALUTQOASA-N 1 0 474.625 3.699 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCCCCC2=O)C[C@@H]1C ZINC001313944001 1071624363 /nfs/dbraw/zinc/62/43/63/1071624363.db2.gz XXYQJJYFLCTOPK-QHCPKHFHSA-N 1 0 482.673 3.797 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(C)o4)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313944930 1071625550 /nfs/dbraw/zinc/62/55/50/1071625550.db2.gz JRCDWOLXQAZITF-TZIWHRDSSA-N 1 0 460.692 3.840 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccccc4C)n3CC(C)(C)CCOC)C2)CC1 ZINC001313944909 1071625700 /nfs/dbraw/zinc/62/57/00/1071625700.db2.gz IUMJRXDBLDCRAS-QFIPXVFZSA-N 1 0 454.663 3.532 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001313947985 1071632197 /nfs/dbraw/zinc/63/21/97/1071632197.db2.gz IXJAEMTYTJWXBS-QGZVFWFLSA-N 1 0 498.118 3.579 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ncccc2N(C)C)C[C@@H]1C ZINC001313950773 1071640024 /nfs/dbraw/zinc/64/00/24/1071640024.db2.gz WXIQNMOHCJDOLV-SFHVURJKSA-N 1 0 470.021 3.550 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313950382 1071638004 /nfs/dbraw/zinc/63/80/04/1071638004.db2.gz PAXYZYZGWUKHHM-OTWHNJEPSA-N 1 0 492.510 3.792 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313951259 1071641159 /nfs/dbraw/zinc/64/11/59/1071641159.db2.gz SIDHQLVQPGYLBL-QPPBQGQZSA-N 1 0 486.730 3.949 20 0 JHADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCN(c3ccccc3F)C[C@H]2C)CC1 ZINC001313952372 1071645334 /nfs/dbraw/zinc/64/53/34/1071645334.db2.gz PHWPJATVAZCPAX-JOCHJYFZSA-N 1 0 471.669 3.673 20 0 JHADRO CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001313951430 1071642318 /nfs/dbraw/zinc/64/23/18/1071642318.db2.gz UEFFYNVCVGYJAJ-SFHVURJKSA-N 1 0 493.494 3.836 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCCC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001313952009 1071643550 /nfs/dbraw/zinc/64/35/50/1071643550.db2.gz CLROHMJGGDFISJ-OAQYLSRUSA-N 1 0 454.663 3.854 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001313952336 1071644794 /nfs/dbraw/zinc/64/47/94/1071644794.db2.gz ZCTKYJFILHNHTA-HBMCJLEFSA-N 1 0 491.080 3.570 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001313952408 1071645788 /nfs/dbraw/zinc/64/57/88/1071645788.db2.gz FJYQLQBFKXIOKL-LJQANCHMSA-N 1 0 483.611 3.837 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001313953732 1071649569 /nfs/dbraw/zinc/64/95/69/1071649569.db2.gz JAOHXGZSSDFVFY-HSZRJFAPSA-N 1 0 476.616 3.852 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001313953762 1071649991 /nfs/dbraw/zinc/64/99/91/1071649991.db2.gz KSZZRFUGWYPXCD-SXWKCWPCSA-N 1 0 475.081 3.733 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313954121 1071650531 /nfs/dbraw/zinc/65/05/31/1071650531.db2.gz APPWQDLYRAEQAU-YADHBBJMSA-N 1 0 479.648 3.874 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2ccoc2)CC1 ZINC001313954190 1071650732 /nfs/dbraw/zinc/65/07/32/1071650732.db2.gz AVVJUEYMINPKSB-OAQYLSRUSA-N 1 0 450.631 3.680 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001313955201 1071652849 /nfs/dbraw/zinc/65/28/49/1071652849.db2.gz QJNAHHRLOFCNST-NZQKXSOJSA-N 1 0 472.653 3.609 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCCCCC2)CC1 ZINC001313955092 1071654300 /nfs/dbraw/zinc/65/43/00/1071654300.db2.gz FFGXHXSDHRFONG-QHCPKHFHSA-N 1 0 454.663 3.554 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(COC)CC2)CC1 ZINC001313955529 1071655521 /nfs/dbraw/zinc/65/55/21/1071655521.db2.gz SKFCVEWTRMHRAF-HXUWFJFHSA-N 1 0 475.081 3.735 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cccn3C)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001313955564 1071656099 /nfs/dbraw/zinc/65/60/99/1071656099.db2.gz WLEPHFVLPXPPFY-UHFFFAOYSA-N 1 0 481.611 3.870 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(F)cc3Br)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001313958518 1071664151 /nfs/dbraw/zinc/66/41/51/1071664151.db2.gz TXLKQGMVYDGTBE-UZLBHIALSA-N 1 0 497.432 3.669 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313958845 1071665234 /nfs/dbraw/zinc/66/52/34/1071665234.db2.gz YIHQRABJXGPRMC-SFTDATJTSA-N 1 0 467.687 3.796 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001313959807 1071667570 /nfs/dbraw/zinc/66/75/70/1071667570.db2.gz ARNOVYHOJLRVJI-UHFFFAOYSA-N 1 0 498.569 3.803 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC=CCC2)CC1 ZINC001313958195 1071663085 /nfs/dbraw/zinc/66/30/85/1071663085.db2.gz PMWFPYJGNGBEHW-UHFFFAOYSA-N 1 0 468.646 3.535 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313960323 1071669948 /nfs/dbraw/zinc/66/99/48/1071669948.db2.gz IOHSKZJXXOEJQY-UHFFFAOYSA-N 1 0 498.473 3.767 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313962337 1071674457 /nfs/dbraw/zinc/67/44/57/1071674457.db2.gz ITKIYTYCOABNFF-HSALFYBXSA-N 1 0 465.646 3.743 20 0 JHADRO CCn1nc(-c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2CCCC(C)(C)C)c2ccccc2c1=O ZINC001313966104 1071685242 /nfs/dbraw/zinc/68/52/42/1071685242.db2.gz HNHFICXRMKPJBC-FQEVSTJZSA-N 1 0 495.672 3.658 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001313965175 1071682620 /nfs/dbraw/zinc/68/26/20/1071682620.db2.gz IJYHHORFLBVNKK-UHFFFAOYSA-N 1 0 498.672 3.579 20 0 JHADRO CCn1nc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313965754 1071684639 /nfs/dbraw/zinc/68/46/39/1071684639.db2.gz DUCVIBFCWGZKLO-HRFSGMKKSA-N 1 0 495.672 3.657 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313967906 1071690387 /nfs/dbraw/zinc/69/03/87/1071690387.db2.gz SPHYMUFOESCGRI-UHFFFAOYSA-N 1 0 477.657 3.966 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001313968400 1071692189 /nfs/dbraw/zinc/69/21/89/1071692189.db2.gz ZXLIQGSYJODCMB-LJQANCHMSA-N 1 0 496.059 3.867 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001313973660 1071700560 /nfs/dbraw/zinc/70/05/60/1071700560.db2.gz GSXNLEBYZGAEBG-QFIPXVFZSA-N 1 0 481.689 3.519 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001313977385 1071710687 /nfs/dbraw/zinc/71/06/87/1071710687.db2.gz MPYGVLYDARVAEQ-RTBURBONSA-N 1 0 488.702 3.660 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001313993356 1071726910 /nfs/dbraw/zinc/72/69/10/1071726910.db2.gz DXBHTVPQRMLWFK-UHFFFAOYSA-N 1 0 494.471 3.978 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+](CC)C(C)C)CC1 ZINC001313993372 1071727851 /nfs/dbraw/zinc/72/78/51/1071727851.db2.gz FOBULCUUNRXHNO-UHFFFAOYSA-N 1 0 469.678 3.824 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001313995411 1071731717 /nfs/dbraw/zinc/73/17/17/1071731717.db2.gz CVPQGCQDFODVQF-JOCHJYFZSA-N 1 0 497.688 3.563 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001313996425 1071733143 /nfs/dbraw/zinc/73/31/43/1071733143.db2.gz NUQJDGHNEWCFBJ-UHFFFAOYSA-N 1 0 474.053 3.715 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001314012938 1071749166 /nfs/dbraw/zinc/74/91/66/1071749166.db2.gz BKGVZHKCTVATMU-QFIPXVFZSA-N 1 0 486.661 3.987 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001314014254 1071753066 /nfs/dbraw/zinc/75/30/66/1071753066.db2.gz PGWKGISXJRHCRV-QFIPXVFZSA-N 1 0 469.634 3.518 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001314014925 1071755668 /nfs/dbraw/zinc/75/56/68/1071755668.db2.gz ZYNMBIBDYYCDAL-HXUWFJFHSA-N 1 0 454.619 3.795 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(C3(c4ccccc4)CCC3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001314017779 1071764320 /nfs/dbraw/zinc/76/43/20/1071764320.db2.gz SQAXNYDXPPETSX-OAQYLSRUSA-N 1 0 468.646 3.757 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314022066 1071775417 /nfs/dbraw/zinc/77/54/17/1071775417.db2.gz GZZCEOFLGKMBLK-JOCHJYFZSA-N 1 0 482.673 3.852 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001314022491 1071776340 /nfs/dbraw/zinc/77/63/40/1071776340.db2.gz APSUKJPFWCKKRV-QFIPXVFZSA-N 1 0 486.661 3.729 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001314022758 1071777002 /nfs/dbraw/zinc/77/70/02/1071777002.db2.gz PNCDSPRGHIEXCJ-QFIPXVFZSA-N 1 0 460.667 3.657 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001314023164 1071778054 /nfs/dbraw/zinc/77/80/54/1071778054.db2.gz IQTUXMXUUBPOLG-NRFANRHFSA-N 1 0 498.672 3.917 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001314024365 1071782334 /nfs/dbraw/zinc/78/23/34/1071782334.db2.gz YYWQUTYTDGREHT-LJQANCHMSA-N 1 0 489.690 3.567 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314029805 1071799930 /nfs/dbraw/zinc/79/99/30/1071799930.db2.gz DJJHWCHOIINHTD-SFTDATJTSA-N 1 0 471.650 3.653 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001314036500 1071827475 /nfs/dbraw/zinc/82/74/75/1071827475.db2.gz GLEDMZVZZIKSRX-FYYLOGMGSA-N 1 0 498.672 3.714 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001314036705 1071828468 /nfs/dbraw/zinc/82/84/68/1071828468.db2.gz AFIVWFJSVURAAW-JOCHJYFZSA-N 1 0 454.619 3.761 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(CC)n2CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001314038578 1071835570 /nfs/dbraw/zinc/83/55/70/1071835570.db2.gz RHDVPJLXTNFNLE-LJQANCHMSA-N 1 0 460.648 3.529 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCC(C)CC2)C1 ZINC001314039230 1071837198 /nfs/dbraw/zinc/83/71/98/1071837198.db2.gz VJDWKLSAWNNEER-QHCPKHFHSA-N 1 0 468.646 3.624 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001314044152 1071855406 /nfs/dbraw/zinc/85/54/06/1071855406.db2.gz RDWYMMOVQGIIGB-FCHUYYIVSA-N 1 0 484.645 3.755 20 0 JHADRO CCOC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001314042802 1071850197 /nfs/dbraw/zinc/85/01/97/1071850197.db2.gz FNXOWVBUSTUIOM-HOTGVXAUSA-N 1 0 467.456 3.780 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2CCCC2)C1 ZINC001314044399 1071855878 /nfs/dbraw/zinc/85/58/78/1071855878.db2.gz RPGNKIJZKGJJJA-JOCHJYFZSA-N 1 0 484.645 3.675 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccccc3CC)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314045129 1071859105 /nfs/dbraw/zinc/85/91/05/1071859105.db2.gz YRFNONGIGUPLQH-FYYLOGMGSA-N 1 0 498.672 3.866 20 0 JHADRO CCOC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001314047029 1071865122 /nfs/dbraw/zinc/86/51/22/1071865122.db2.gz IPEJENQCCIXOMO-UHFFFAOYSA-N 1 0 492.064 3.971 20 0 JHADRO CCOC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314051398 1071873436 /nfs/dbraw/zinc/87/34/36/1071873436.db2.gz YLFIYZCGMRGSCK-UHFFFAOYSA-N 1 0 495.672 3.801 20 0 JHADRO CCO[C@@H](C)c1noc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001314060696 1071896331 /nfs/dbraw/zinc/89/63/31/1071896331.db2.gz CLXDOJGPAUYLBO-HKUYNNGSSA-N 1 0 468.606 3.577 20 0 JHADRO CCO[C@@H](CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CC2CCOCC2)CC1)C(C)C ZINC001314061244 1071898159 /nfs/dbraw/zinc/89/81/59/1071898159.db2.gz GUHNGGFNMWOEFN-QFIPXVFZSA-N 1 0 459.635 3.846 20 0 JHADRO CCO[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1)c1ccccc1 ZINC001314071190 1071921857 /nfs/dbraw/zinc/92/18/57/1071921857.db2.gz UMXLEQOYOGARFR-CVDCTZTESA-N 1 0 453.587 3.781 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@H](c2ccco2)[NH+](C)C)CCOC1 ZINC001314076236 1071933549 /nfs/dbraw/zinc/93/35/49/1071933549.db2.gz ZWKHMLJQUMQJOX-IOZGHAEBSA-N 1 0 469.586 3.729 20 0 JHADRO CCO[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC([NH+](CC)CC)CC1)c1ccccc1 ZINC001314076580 1071934629 /nfs/dbraw/zinc/93/46/29/1071934629.db2.gz YXYFVRRUGQDMDJ-QHCPKHFHSA-N 1 0 468.646 3.603 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3cccc(C)c3)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001314080128 1071940751 /nfs/dbraw/zinc/94/07/51/1071940751.db2.gz BOTOOZUANXBQOY-VWLOTQADSA-N 1 0 473.687 3.702 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3ccc(C)o3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCOC1 ZINC001314082307 1071945615 /nfs/dbraw/zinc/94/56/15/1071945615.db2.gz DIBXLBNXOOASDV-RDGATRHJSA-N 1 0 471.577 3.910 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3cccc(C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CCOC1 ZINC001314084376 1071951415 /nfs/dbraw/zinc/95/14/15/1071951415.db2.gz YBPDQXHXVKBUDM-OFVILXPXSA-N 1 0 453.587 3.771 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3nccs3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC001314084538 1071952010 /nfs/dbraw/zinc/95/20/10/1071952010.db2.gz BBXAMDDZMQPOTC-FDDCHVKYSA-N 1 0 462.664 3.534 20 0 JHADRO CCO[C@]1(c2nnc(N(C)C/C(C)=C/c3ccccc3)n2C[C@@H]2CCC[N@@H+]2CC)CCOC1 ZINC001314084671 1071952657 /nfs/dbraw/zinc/95/26/57/1071952657.db2.gz NWJZQZQAKNPMSF-AWEXGFNJSA-N 1 0 453.631 3.954 20 0 JHADRO CCO[C@]1(c2nnc(N(C)CC3CCCCC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCOC1 ZINC001314090401 1071967183 /nfs/dbraw/zinc/96/71/83/1071967183.db2.gz GWOXBBHQDZAOOH-AREMUKBSSA-N 1 0 477.694 3.836 20 0 JHADRO 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CCc1nc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC001306024467 1068418253 /nfs/dbraw/zinc/41/82/53/1068418253.db2.gz KLVBPWLEKXILSE-IBGZPJMESA-N 1 0 473.691 3.537 20 0 JHADRO CCc1nc(CN(C)c2nnc(-c3ccccc3C)n2C[C@@H](C)N2CC[NH+](CC)CC2)cs1 ZINC001306028587 1068425667 /nfs/dbraw/zinc/42/56/67/1068425667.db2.gz FJKQBTRKITXYET-HXUWFJFHSA-N 1 0 467.687 3.935 20 0 JHADRO CCc1nc(CN(C)c2nnc([C@H]3CCCOC3)n2CC[N@H+](C)Cc2ccccc2)cs1 ZINC001306034242 1068438381 /nfs/dbraw/zinc/43/83/81/1068438381.db2.gz VGSYEQXJMDSELP-FQEVSTJZSA-N 1 0 454.644 3.959 20 0 JHADRO CCc1nc(CN(C)c2nnc(CC3CCCC3)n2CC2(O)CC[NH+](C(C)C)CC2)cs1 ZINC001306034545 1068439254 /nfs/dbraw/zinc/43/92/54/1068439254.db2.gz ZVWBWEAWQUPSEV-UHFFFAOYSA-N 1 0 460.692 3.901 20 0 JHADRO CCc1nc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cs1 ZINC001306038022 1068446979 /nfs/dbraw/zinc/44/69/79/1068446979.db2.gz PRQWVQOILSAWIP-OAQYLSRUSA-N 1 0 468.671 3.790 20 0 JHADRO CCc1nc(CN2CCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)cs1 ZINC001306041361 1068455292 /nfs/dbraw/zinc/45/52/92/1068455292.db2.gz IYDJFYRHVTWPPP-HXUWFJFHSA-N 1 0 459.708 3.863 20 0 JHADRO CCc1nc(CN2CCN(c3nnc(Cc4ccsc4)n3CC[N@H+](C)C(C)C)CC2)cs1 ZINC001306041961 1068457308 /nfs/dbraw/zinc/45/73/08/1068457308.db2.gz XGRHLQNBYVWNDP-UHFFFAOYSA-N 1 0 473.716 3.612 20 0 JHADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001306048601 1068474545 /nfs/dbraw/zinc/47/45/45/1068474545.db2.gz VNJSIIFGOVQJHH-RBUKOAKNSA-N 1 0 477.101 3.547 20 0 JHADRO CCc1nnc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001306051688 1068486702 /nfs/dbraw/zinc/48/67/02/1068486702.db2.gz AWOCTJGYYZQOND-UHFFFAOYSA-N 1 0 482.658 3.530 20 0 JHADRO CC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 ZINC001306057354 1068494378 /nfs/dbraw/zinc/49/43/78/1068494378.db2.gz PRDNVOXRQUATIG-LAUBAEHRSA-N 1 0 454.409 3.742 20 0 JHADRO CCc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001306062631 1068502574 /nfs/dbraw/zinc/50/25/74/1068502574.db2.gz FEGXCOLKTDPOAL-ZUQCGGBESA-N 1 0 461.676 3.665 20 0 JHADRO CCc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001306073524 1068507070 /nfs/dbraw/zinc/50/70/70/1068507070.db2.gz DEXAQZUWHMUSBN-LEWJYISDSA-N 1 0 460.692 3.532 20 0 JHADRO CCc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001306083471 1068512591 /nfs/dbraw/zinc/51/25/91/1068512591.db2.gz SEWDZPTYHAFKNP-QGZVFWFLSA-N 1 0 480.560 3.567 20 0 JHADRO CCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001306114244 1068523129 /nfs/dbraw/zinc/52/31/29/1068523129.db2.gz YCGNJOXMTNOSJL-DBVUQKKJSA-N 1 0 467.536 3.842 20 0 JHADRO CCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001306118842 1068526248 /nfs/dbraw/zinc/52/62/48/1068526248.db2.gz OLHMLFASYZBRKB-NRFANRHFSA-N 1 0 453.635 3.519 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001306119917 1068528033 /nfs/dbraw/zinc/52/80/33/1068528033.db2.gz KIUMBEJXKQPXHS-JOCHJYFZSA-N 1 0 470.637 3.633 20 0 JHADRO CCc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001306131635 1068534551 /nfs/dbraw/zinc/53/45/51/1068534551.db2.gz SMQDVLRPYMUZNZ-NRFANRHFSA-N 1 0 452.647 3.590 20 0 JHADRO CCc1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001306132263 1068535196 /nfs/dbraw/zinc/53/51/96/1068535196.db2.gz CNYSVMMIMIFHAX-FXAWDEMLSA-N 1 0 470.559 3.993 20 0 JHADRO CCc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001306134363 1068537461 /nfs/dbraw/zinc/53/74/61/1068537461.db2.gz ZLNIDBCCJMCDMP-UHFFFAOYSA-N 1 0 454.541 3.890 20 0 JHADRO CCc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001306135785 1068539166 /nfs/dbraw/zinc/53/91/66/1068539166.db2.gz ZSQCTJNHRFGDJE-QFIPXVFZSA-N 1 0 492.709 3.671 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001306142423 1068543781 /nfs/dbraw/zinc/54/37/81/1068543781.db2.gz BVOUNDFMLGCJCT-QHCPKHFHSA-N 1 0 454.663 3.914 20 0 JHADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001306143237 1068545329 /nfs/dbraw/zinc/54/53/29/1068545329.db2.gz FUIHPFXRCWNBGJ-NRSPTQNISA-N 1 0 460.667 3.987 20 0 JHADRO CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC001306150978 1068552575 /nfs/dbraw/zinc/55/25/75/1068552575.db2.gz BZJNFHZOCDKGLR-XMMPIXPASA-N 1 0 459.656 3.914 20 0 JHADRO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001306155675 1068554107 /nfs/dbraw/zinc/55/41/07/1068554107.db2.gz AZPAZWKDEIBTEW-SFTDATJTSA-N 1 0 453.635 3.664 20 0 JHADRO CCc1nnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001306160069 1068556850 /nfs/dbraw/zinc/55/68/50/1068556850.db2.gz WBBWGNNTATVPQK-IRFCIJBXSA-N 1 0 460.667 3.797 20 0 JHADRO CCc1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001306161190 1068557653 /nfs/dbraw/zinc/55/76/53/1068557653.db2.gz GJRIWFQVWVPJDM-LJQANCHMSA-N 1 0 459.708 3.830 20 0 JHADRO CCc1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001306162386 1068558125 /nfs/dbraw/zinc/55/81/25/1068558125.db2.gz HWOYXVDHSRCSQO-HXUWFJFHSA-N 1 0 451.619 3.880 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCC(=O)NCc1ccccc1 ZINC001306165859 1068561659 /nfs/dbraw/zinc/56/16/59/1068561659.db2.gz SZBBFXWRPSQHOT-GGAORHGYSA-N 1 0 452.647 3.638 20 0 JHADRO CCc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001306166515 1068562733 /nfs/dbraw/zinc/56/27/33/1068562733.db2.gz WWRFLVWYTLISQB-UNMCSNQZSA-N 1 0 454.663 3.740 20 0 JHADRO CCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001306166929 1068562755 /nfs/dbraw/zinc/56/27/55/1068562755.db2.gz YDSUHRFFVIOTJB-RBBKRZOGSA-N 1 0 473.687 3.578 20 0 JHADRO CCc1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001306178552 1068567992 /nfs/dbraw/zinc/56/79/92/1068567992.db2.gz IFCLOUOWUQEAQG-QFIPXVFZSA-N 1 0 451.594 3.703 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001306185066 1068575879 /nfs/dbraw/zinc/57/58/79/1068575879.db2.gz HYQYYXNHWHBFKY-UHFFFAOYSA-N 1 0 458.676 3.685 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306185920 1068576921 /nfs/dbraw/zinc/57/69/21/1068576921.db2.gz VJZNSJASUUQEPQ-NHCUHLMSSA-N 1 0 470.637 3.700 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306186132 1068577489 /nfs/dbraw/zinc/57/74/89/1068577489.db2.gz PFSDWPVNBZTCMJ-UQBPGWFLSA-N 1 0 473.065 3.967 20 0 JHADRO CCc1nnc(N2CCN(c3ccccc3Cl)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306198851 1068591868 /nfs/dbraw/zinc/59/18/68/1068591868.db2.gz QOQKXJRJXRDJSO-KDURUIRLSA-N 1 0 461.054 3.708 20 0 JHADRO CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001306203815 1068593899 /nfs/dbraw/zinc/59/38/99/1068593899.db2.gz RKCVYHMPOAPCBN-UHFFFAOYSA-N 1 0 473.735 3.832 20 0 JHADRO CCc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001306207461 1068598560 /nfs/dbraw/zinc/59/85/60/1068598560.db2.gz UKTRKLQPLSEMLK-SJORKVTESA-N 1 0 456.582 3.812 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306214176 1068602946 /nfs/dbraw/zinc/60/29/46/1068602946.db2.gz GODKLWISMCIEMQ-UEXGIBASSA-N 1 0 492.462 3.680 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001306218874 1068606061 /nfs/dbraw/zinc/60/60/61/1068606061.db2.gz MTIRYCZMANBWSU-SFHVURJKSA-N 1 0 461.479 3.971 20 0 JHADRO CCc1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306221486 1068609084 /nfs/dbraw/zinc/60/90/84/1068609084.db2.gz KLGFHXKOXVQABV-XJUOHMSHSA-N 1 0 455.647 3.566 20 0 JHADRO CCc1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1Cc1ccccc1C[NH+](CC)CC ZINC001306223259 1068610182 /nfs/dbraw/zinc/61/01/82/1068610182.db2.gz VCTGCQIJKSZFEU-OAQYLSRUSA-N 1 0 467.618 3.815 20 0 JHADRO CCc1noc([C@H](C)N2CCN(c3nnc([C@@H](C)CC)n3C[C@H](C(C)C)[NH+]3CCCC3)CC2)n1 ZINC001306230309 1068616384 /nfs/dbraw/zinc/61/63/84/1068616384.db2.gz QERKSJIQCWPAHK-PCCBWWKXSA-N 1 0 472.682 3.741 20 0 JHADRO CCc1noc(C)c1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001306233699 1068625388 /nfs/dbraw/zinc/62/53/88/1068625388.db2.gz XEXCOUDTVBFLQP-LSDHHAIUSA-N 1 0 490.450 3.872 20 0 JHADRO CCc1nsc(N2CCCN(c3nnc(CC)n3CC3CC[NH+](CCC(C)C)CC3)CC2)n1 ZINC001306241405 1068643724 /nfs/dbraw/zinc/64/37/24/1068643724.db2.gz ZICBOAZKRHTJES-UHFFFAOYSA-N 1 0 474.723 3.729 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCCC[NH+]1CCC(C)CC1 ZINC001306242692 1068646034 /nfs/dbraw/zinc/64/60/34/1068646034.db2.gz DOBQZCXGUOWETM-OAQYLSRUSA-N 1 0 489.064 3.834 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@H+](C)C1CCCC1 ZINC001306246696 1068654716 /nfs/dbraw/zinc/65/47/16/1068654716.db2.gz WBLHQFJOZBFINK-RBBKRZOGSA-N 1 0 468.646 3.624 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001306249150 1068659448 /nfs/dbraw/zinc/65/94/48/1068659448.db2.gz UIGPLJKAZREZIQ-RBUKOAKNSA-N 1 0 490.580 3.626 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2C)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306254292 1068661668 /nfs/dbraw/zinc/66/16/68/1068661668.db2.gz IQBOESHGKPWLII-AWRGLXIESA-N 1 0 466.674 3.650 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[NH+](C(C)C)C(C)C ZINC001306256522 1068663970 /nfs/dbraw/zinc/66/39/70/1068663970.db2.gz YXTFEZGWFAYBLB-QFIPXVFZSA-N 1 0 479.629 3.824 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cccc(C)c2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306257621 1068664607 /nfs/dbraw/zinc/66/46/07/1068664607.db2.gz ODHBEXLZCFQOHB-WPFOTENUSA-N 1 0 482.673 3.638 20 0 JHADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001306259836 1068668095 /nfs/dbraw/zinc/66/80/95/1068668095.db2.gz MOHIRFOVFJJCNC-PMOQBDJRSA-N 1 0 468.646 3.887 20 0 JHADRO CC[C@H]1[C@@H](C)CCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001306284219 1068701318 /nfs/dbraw/zinc/70/13/18/1068701318.db2.gz YHKLOLOXXXLZHF-BURNTYAHSA-N 1 0 490.693 3.784 20 0 JHADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001306287160 1068705357 /nfs/dbraw/zinc/70/53/57/1068705357.db2.gz BUYUEOIUJINFAG-ZYKOEDHHSA-N 1 0 471.646 3.944 20 0 JHADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C)[NH+](CC)CC ZINC001306289542 1068707439 /nfs/dbraw/zinc/70/74/39/1068707439.db2.gz GAXPWNVQILJYQZ-GUDVDZBRSA-N 1 0 451.619 3.547 20 0 JHADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(F)cc2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001306292613 1068709709 /nfs/dbraw/zinc/70/97/09/1068709709.db2.gz BZUZMJBUNVWDOX-MQSCRBSSSA-N 1 0 472.653 3.895 20 0 JHADRO CC[C@H]1C[C@@H](C)CN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)(C)C ZINC001306301238 1068717863 /nfs/dbraw/zinc/71/78/63/1068717863.db2.gz VBUBJEXMCJLHCR-PKTZIBPZSA-N 1 0 495.716 3.572 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H](C)OCCOC)nnc1N1CCOC2(CCCCC2)C1 ZINC001306315591 1068734577 /nfs/dbraw/zinc/73/45/77/1068734577.db2.gz BBNCFTPMEWABSJ-VXKWHMMOSA-N 1 0 463.667 3.806 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001306317256 1068737264 /nfs/dbraw/zinc/73/72/64/1068737264.db2.gz IMRWQEPROIZRNJ-TUNNFDKTSA-N 1 0 486.636 3.784 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(C)cc2C1 ZINC001306317543 1068738181 /nfs/dbraw/zinc/73/81/81/1068738181.db2.gz KDYODLSQBUELRG-JOCHJYFZSA-N 1 0 468.646 3.561 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001306317641 1068738976 /nfs/dbraw/zinc/73/89/76/1068738976.db2.gz AUZCARMZKUBYEF-JOCHJYFZSA-N 1 0 472.678 3.906 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001306318286 1068741249 /nfs/dbraw/zinc/74/12/49/1068741249.db2.gz FQWPUUYRQLITBX-FPOVZHCZSA-N 1 0 463.630 3.576 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001306318372 1068741478 /nfs/dbraw/zinc/74/14/78/1068741478.db2.gz NMVYGBUVYIGHSS-UYAOXDASSA-N 1 0 489.462 3.674 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCO[C@H](C)C1 ZINC001306318606 1068742619 /nfs/dbraw/zinc/74/26/19/1068742619.db2.gz PBBOMNSKXDCMNP-KNQAVFIVSA-N 1 0 489.064 3.741 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSCC1 ZINC001306319803 1068747453 /nfs/dbraw/zinc/74/74/53/1068747453.db2.gz XCMKLIWWYBSNTG-IBGZPJMESA-N 1 0 475.659 3.789 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306320844 1068749457 /nfs/dbraw/zinc/74/94/57/1068749457.db2.gz XTJWEXAMPDPYMQ-WMZOPIPTSA-N 1 0 463.001 3.704 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1c(C)noc1C ZINC001306321033 1068750367 /nfs/dbraw/zinc/75/03/67/1068750367.db2.gz ALQDQTXXEPULFF-OAQYLSRUSA-N 1 0 454.623 3.645 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCc1ccccc1 ZINC001306321585 1068751516 /nfs/dbraw/zinc/75/15/16/1068751516.db2.gz FRSKVSRPCJNFFR-PKTZIBPZSA-N 1 0 473.687 3.514 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CC2CC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001306321698 1068752450 /nfs/dbraw/zinc/75/24/50/1068752450.db2.gz ASANUVXAJYMGHT-OAQYLSRUSA-N 1 0 459.660 3.535 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC001306322397 1068753203 /nfs/dbraw/zinc/75/32/03/1068753203.db2.gz JTZKXYPYNJXPAZ-ACIOBRDBSA-N 1 0 474.694 3.568 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001306323862 1068757835 /nfs/dbraw/zinc/75/78/35/1068757835.db2.gz QQWNVAIEQUEOOU-URXFXBBRSA-N 1 0 481.689 3.982 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001306323861 1068757923 /nfs/dbraw/zinc/75/79/23/1068757923.db2.gz QQWNVAIEQUEOOU-QPPBQGQZSA-N 1 0 481.689 3.982 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001306324034 1068758343 /nfs/dbraw/zinc/75/83/43/1068758343.db2.gz MZDCBTVTOBPAMF-RCZVLFRGSA-N 1 0 495.716 3.906 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001306324066 1068758463 /nfs/dbraw/zinc/75/84/63/1068758463.db2.gz NDESSHUAELPOEH-LEWJYISDSA-N 1 0 488.627 3.764 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001306324127 1068759114 /nfs/dbraw/zinc/75/91/14/1068759114.db2.gz NWXWNHOUJMVMTI-BJKOFHAPSA-N 1 0 481.689 3.517 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC001306325246 1068761769 /nfs/dbraw/zinc/76/17/69/1068761769.db2.gz UFGGLTXPLVORMJ-HSZRJFAPSA-N 1 0 484.737 3.804 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC[C@H]1C ZINC001306325469 1068762578 /nfs/dbraw/zinc/76/25/78/1068762578.db2.gz YCUFGAGSEQSZDB-IFMALSPDSA-N 1 0 490.693 3.882 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001306325743 1068763034 /nfs/dbraw/zinc/76/30/34/1068763034.db2.gz YUCRFUZBFOOVLQ-SLFFLAALSA-N 1 0 472.600 3.509 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001306326522 1068764188 /nfs/dbraw/zinc/76/41/88/1068764188.db2.gz YXKZHURXOYKKQU-QFIPXVFZSA-N 1 0 469.609 3.939 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001306326521 1068764314 /nfs/dbraw/zinc/76/43/14/1068764314.db2.gz YXKZHURXOYKKQU-JOCHJYFZSA-N 1 0 469.609 3.939 20 0 JHADRO CC[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001306334554 1068772197 /nfs/dbraw/zinc/77/21/97/1068772197.db2.gz DHOIXJDLRHFFMZ-UPVQGACJSA-N 1 0 466.674 3.746 20 0 JHADRO CC[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306340735 1068777411 /nfs/dbraw/zinc/77/74/11/1068777411.db2.gz YNVYXCBCYYQGCV-SFHVURJKSA-N 1 0 476.716 3.723 20 0 JHADRO CC[C@H]1CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCOCC[NH+](C)C ZINC001306346591 1068783709 /nfs/dbraw/zinc/78/37/09/1068783709.db2.gz MTIKZSMCXWVRKL-INIZCTEOSA-N 1 0 454.388 3.804 20 0 JHADRO CC[C@@H]1CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C1CCCC1 ZINC001306351304 1068787320 /nfs/dbraw/zinc/78/73/20/1068787320.db2.gz LBDPKBUTBUJBPJ-CTNGQTDRSA-N 1 0 476.666 3.840 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001306354881 1068789463 /nfs/dbraw/zinc/78/94/63/1068789463.db2.gz AXOPFGBHWIBTIR-UXHICEINSA-N 1 0 492.462 3.845 20 0 JHADRO CC[C@H]1CCCN1c1nnc(COc2ccc(OC)cc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001306358768 1068793741 /nfs/dbraw/zinc/79/37/41/1068793741.db2.gz XQVAWIJEZFMSDN-SFTDATJTSA-N 1 0 457.619 3.745 20 0 JHADRO O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001306360251 1068795458 /nfs/dbraw/zinc/79/54/58/1068795458.db2.gz AKFHUERQZUEMCS-OAHLLOKOSA-N 1 0 458.490 3.626 20 0 JHADRO CC[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001306360843 1068795922 /nfs/dbraw/zinc/79/59/22/1068795922.db2.gz FIQBNDJTTIYMRP-VQTJNVASSA-N 1 0 457.619 3.700 20 0 JHADRO CC[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001306366238 1068801960 /nfs/dbraw/zinc/80/19/60/1068801960.db2.gz DZZLPOVNCVNUPK-SLFFLAALSA-N 1 0 457.619 3.698 20 0 JHADRO CCC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001306368352 1068803725 /nfs/dbraw/zinc/80/37/25/1068803725.db2.gz VKCIVTMXCRZGJT-NRFANRHFSA-N 1 0 484.689 3.862 20 0 JHADRO CCC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001306372950 1068806158 /nfs/dbraw/zinc/80/61/58/1068806158.db2.gz GCRPDBONNQRTFP-OAQYLSRUSA-N 1 0 456.654 3.908 20 0 JHADRO CC[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001306383841 1068816403 /nfs/dbraw/zinc/81/64/03/1068816403.db2.gz UZSJLWAWLOZCMT-DHIUTWEWSA-N 1 0 454.663 3.675 20 0 JHADRO CC[C@H]1CN(c2nnc(C(C)C)n2Cc2c(F)cccc2N2CCCC2)CC[N@@H+]1CCOC ZINC001306386013 1068819629 /nfs/dbraw/zinc/81/96/29/1068819629.db2.gz DVVQBMDUTMIWTC-FQEVSTJZSA-N 1 0 458.626 3.736 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2c(F)cccc2N2CCCC2)CC[N@@H+]1CCOC ZINC001306386015 1068819981 /nfs/dbraw/zinc/81/99/81/1068819981.db2.gz DVVQBMDUTMIWTC-HXUWFJFHSA-N 1 0 458.626 3.736 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2ccc(C[NH+](CC)CC)cc2)C[C@H]1N1CCOCC1 ZINC001306386964 1068820322 /nfs/dbraw/zinc/82/03/22/1068820322.db2.gz MIIMWRZDHQZLRK-JWQCQUIFSA-N 1 0 468.690 3.839 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCCC[C@H]2C)C[C@H]1N1CCOCC1 ZINC001306390394 1068827714 /nfs/dbraw/zinc/82/77/14/1068827714.db2.gz RPJWMIINQVTUDR-DNVJHFABSA-N 1 0 460.711 3.777 20 0 JHADRO CC[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC001306391902 1068832682 /nfs/dbraw/zinc/83/26/82/1068832682.db2.gz YVNPCYYFDKZOII-AVRDEDQJSA-N 1 0 489.064 3.740 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(C)C)CC[N@@H+]1CCOC ZINC001306395330 1068839785 /nfs/dbraw/zinc/83/97/85/1068839785.db2.gz ADNRRIGQQZFZBH-OAQYLSRUSA-N 1 0 451.619 3.928 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](CC)C2CC2)C[C@@H](C)O1 ZINC001306397050 1068846220 /nfs/dbraw/zinc/84/62/20/1068846220.db2.gz LIVPQQLIBTVYHS-RHSMWYFYSA-N 1 0 451.413 3.524 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001306397262 1068847367 /nfs/dbraw/zinc/84/73/67/1068847367.db2.gz YPWMFOTVZZLSBI-PCCBWWKXSA-N 1 0 488.652 3.587 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)C[C@H](C)O1 ZINC001306400946 1068859896 /nfs/dbraw/zinc/85/98/96/1068859896.db2.gz PBCNBNFVRKYTCJ-BAMDZGJYSA-N 1 0 463.667 3.803 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCc2scnc2C)CC[N@@H+]1CCOC ZINC001306402392 1068863503 /nfs/dbraw/zinc/86/35/03/1068863503.db2.gz RHSCYDPLXPQLSN-FQEVSTJZSA-N 1 0 470.643 3.508 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1CCOC ZINC001306403724 1068867750 /nfs/dbraw/zinc/86/77/50/1068867750.db2.gz WMKRWWXSPHILCP-UYAOXDASSA-N 1 0 463.573 3.936 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](C)COC)CC[N@@H+]1CCOC ZINC001306403944 1068868417 /nfs/dbraw/zinc/86/84/17/1068868417.db2.gz HJVISAJCTGFYRF-XLIONFOSSA-N 1 0 494.478 3.846 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC=CO2)CC[N@@H+]1CCOC ZINC001306404900 1068870080 /nfs/dbraw/zinc/87/00/80/1068870080.db2.gz BAPKTYDKYBJEMN-LEWJYISDSA-N 1 0 490.446 3.947 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCC(C)(C)O)CC[N@@H+]1CCOC ZINC001306410751 1068892804 /nfs/dbraw/zinc/89/28/04/1068892804.db2.gz SJYHOVOTXJUHMR-QGZVFWFLSA-N 1 0 498.441 3.555 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCC[NH+](C)C)C[C@@H](C)O1 ZINC001306410877 1068893133 /nfs/dbraw/zinc/89/31/33/1068893133.db2.gz SNRYIXGIJHWZSF-WBVHZDCISA-N 1 0 456.418 3.834 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCC[NH+]2CCC(O)CC2)CCS1 ZINC001306412245 1068897253 /nfs/dbraw/zinc/89/72/53/1068897253.db2.gz INZRFBDGVZQQSV-GOSISDBHSA-N 1 0 494.503 3.886 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCn2cc(Cl)cn2)CC[N@@H+]1CCOC ZINC001306412634 1068897808 /nfs/dbraw/zinc/89/78/08/1068897808.db2.gz JXHFLXFPXSWJJM-SFHVURJKSA-N 1 0 478.428 3.696 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@H](C)O1 ZINC001306414008 1068901691 /nfs/dbraw/zinc/90/16/91/1068901691.db2.gz KGMPZYNRPADNGL-OALUTQOASA-N 1 0 489.686 3.793 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCCC[NH+]2CCN(CC)CC2)CCO1 ZINC001306416225 1068905351 /nfs/dbraw/zinc/90/53/51/1068905351.db2.gz XRPWCFFBGZLFHG-FQEVSTJZSA-N 1 0 461.054 3.631 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCCNC(=O)OC(C)(C)C)CC[N@@H+]1CCOC ZINC001306418220 1068908909 /nfs/dbraw/zinc/90/89/09/1068908909.db2.gz FDSZFLDABAZBBK-IBGZPJMESA-N 1 0 490.624 3.546 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001306421049 1068913682 /nfs/dbraw/zinc/91/36/82/1068913682.db2.gz BGNXRTNGHKRWHA-UWHLTILDSA-N 1 0 456.635 3.540 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001306421047 1068913806 /nfs/dbraw/zinc/91/38/06/1068913806.db2.gz BGNXRTNGHKRWHA-MXEMCNAFSA-N 1 0 456.635 3.540 20 0 JHADRO CC[C@@H]1CN(c2nnc(C3CCC3)n2CCc2ccc(F)c(F)c2F)CC[N@@H+]1CCOC ZINC001306424123 1068917727 /nfs/dbraw/zinc/91/77/27/1068917727.db2.gz FLGVAONHTPONLF-GOSISDBHSA-N 1 0 451.537 3.753 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306426564 1068921570 /nfs/dbraw/zinc/92/15/70/1068921570.db2.gz BSRXJWPORGHBIJ-NJDAHSKKSA-N 1 0 476.666 3.745 20 0 JHADRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001306435595 1068939109 /nfs/dbraw/zinc/93/91/09/1068939109.db2.gz YOKFWBUNCGLKKH-XRXFAXGQSA-N 1 0 478.682 3.642 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC[N@@H+]1CCOC ZINC001306442279 1068951485 /nfs/dbraw/zinc/95/14/85/1068951485.db2.gz ZYNVWYTUOTWRDY-YMPZKCBVSA-N 1 0 476.065 3.620 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccco2)[NH+](CC)CC)C[C@H](C)O1 ZINC001306442400 1068951537 /nfs/dbraw/zinc/95/15/37/1068951537.db2.gz VBEMGXYQCONQGE-NNWRFLSQSA-N 1 0 452.603 3.944 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC(F)(F)c2ccccc2)CC[N@@H+]1CCOC ZINC001306443866 1068954846 /nfs/dbraw/zinc/95/48/46/1068954846.db2.gz XPZSALNGDOBREP-JOCHJYFZSA-N 1 0 470.568 3.603 20 0 JHADRO CC[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(Cl)cc2F)CC[N@@H+]1CCOC ZINC001306444040 1068955393 /nfs/dbraw/zinc/95/53/93/1068955393.db2.gz YXIKMKRCWUEJEY-NRFANRHFSA-N 1 0 472.996 3.652 20 0 JHADRO CC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CCO1 ZINC001306444306 1068955876 /nfs/dbraw/zinc/95/58/76/1068955876.db2.gz MJBCOABNYVEZML-RBBKRZOGSA-N 1 0 470.643 3.561 20 0 JHADRO CC[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001306444615 1068956513 /nfs/dbraw/zinc/95/65/13/1068956513.db2.gz SAZCAKUMLWOEJL-QFIPXVFZSA-N 1 0 453.635 3.641 20 0 JHADRO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)cc2F)CC[N@@H+]1CCOC ZINC001306447774 1068962098 /nfs/dbraw/zinc/96/20/98/1068962098.db2.gz JJLAUXMOKPINBP-NRFANRHFSA-N 1 0 490.027 3.528 20 0 JHADRO CC[C@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOC(C)(C)C)CCS1 ZINC001306448123 1068963263 /nfs/dbraw/zinc/96/32/63/1068963263.db2.gz LFQYYIFOGLAWIW-QHCPKHFHSA-N 1 0 486.730 3.790 20 0 JHADRO CC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001306453854 1068974771 /nfs/dbraw/zinc/97/47/71/1068974771.db2.gz LMRQEBFGERATCV-DHIUTWEWSA-N 1 0 471.646 3.590 20 0 JHADRO 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CC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[C@H]2C)CC[N@@H+]1CCOC ZINC001306457048 1068984390 /nfs/dbraw/zinc/98/43/90/1068984390.db2.gz CYJPSHVBOOMAGP-RZUBCFFCSA-N 1 0 459.610 3.979 20 0 JHADRO CC[C@H]1CN(c2nnc(COc3ccccc3OC)n2CCC2CC[NH+](CC)CC2)C[C@H](C)O1 ZINC001306458356 1068990181 /nfs/dbraw/zinc/99/01/81/1068990181.db2.gz WXQZYVYVYAPHBQ-UNMCSNQZSA-N 1 0 471.646 3.991 20 0 JHADRO CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H](C)O1 ZINC001306458912 1068991231 /nfs/dbraw/zinc/99/12/31/1068991231.db2.gz TVUXVFKMIGYASN-PCCBWWKXSA-N 1 0 475.609 3.501 20 0 JHADRO CC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001306460545 1068994997 /nfs/dbraw/zinc/99/49/97/1068994997.db2.gz YPJUWNZYXNVRBX-URXFXBBRSA-N 1 0 471.646 3.991 20 0 JHADRO C[C@H]1C[C@@H](NC(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC001310513739 1068995228 /nfs/dbraw/zinc/99/52/28/1068995228.db2.gz SXYXBKYQTFJHEJ-SIKLNZKXSA-N 1 0 459.550 3.884 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306461889 1068997161 /nfs/dbraw/zinc/99/71/61/1068997161.db2.gz GKVOWOGQDFAMAJ-QHAWAJNXSA-N 1 0 476.666 3.745 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2OC(C)C)CC[N@@H+]1CCOC ZINC001306462473 1068997865 /nfs/dbraw/zinc/99/78/65/1068997865.db2.gz HVKONDXOIMRJSX-FYYLOGMGSA-N 1 0 457.619 3.512 20 0 JHADRO CC(C)(C)c1cc(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)n(-c2ccccn2)n1 ZINC001310537157 1069005248 /nfs/dbraw/zinc/00/52/48/1069005248.db2.gz WDJBHQXBLUWKCA-UHFFFAOYSA-N 1 0 454.619 3.969 20 0 JHADRO CC/C=C\Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001306467480 1069007526 /nfs/dbraw/zinc/00/75/26/1069007526.db2.gz UYTOHXJCBODLFZ-UTCJRWHESA-N 1 0 457.022 3.892 20 0 JHADRO CC/C=C/Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001306468515 1069009960 /nfs/dbraw/zinc/00/99/60/1069009960.db2.gz YAYFSDQHYTUEEW-WHLIDYPQSA-N 1 0 460.420 3.832 20 0 JHADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(Br)c1F ZINC001310552903 1069013067 /nfs/dbraw/zinc/01/30/67/1069013067.db2.gz QHIQEQMGLRWTDV-AWEZNQCLSA-N 1 0 450.308 3.771 20 0 JHADRO CC/C=C/Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306471391 1069015100 /nfs/dbraw/zinc/01/51/00/1069015100.db2.gz WHAUQXQWXLTGRJ-QQUYBBDPSA-N 1 0 468.646 3.533 20 0 JHADRO CC/C=C/Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306479025 1069019724 /nfs/dbraw/zinc/01/97/24/1069019724.db2.gz DGJKIHRBCHKBFO-VOTSOKGWSA-N 1 0 488.677 3.660 20 0 JHADRO Cc1cc(N2CC[C@H](NC(=O)Nc3ccccc3CC[NH+](C)C)C2=O)ccc1Br ZINC001310577626 1069027625 /nfs/dbraw/zinc/02/76/25/1069027625.db2.gz DEAPCCUZDZNJGJ-FQEVSTJZSA-N 1 0 459.388 3.789 20 0 JHADRO CC/C=C\Cn1c(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001306491316 1069029755 /nfs/dbraw/zinc/02/97/55/1069029755.db2.gz OCXRNGHUEJEHOK-DJXBBOBESA-N 1 0 485.677 3.538 20 0 JHADRO CC/C=C\Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306492901 1069032699 /nfs/dbraw/zinc/03/26/99/1069032699.db2.gz CNZSJBCMTUHVFU-NGXITPROSA-N 1 0 474.650 3.617 20 0 JHADRO CCCC(=O)Nc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001306494623 1069038204 /nfs/dbraw/zinc/03/82/04/1069038204.db2.gz SJBLJHUDACMYNF-JOCHJYFZSA-N 1 0 468.646 3.880 20 0 JHADRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]4CCC[C@]4(NC(=O)OC(C)(C)C)C3)c2)CC1 ZINC001310596992 1069040334 /nfs/dbraw/zinc/04/03/34/1069040334.db2.gz PIGCMYBVVLLLAH-DFBJGRDBSA-N 1 0 457.619 3.740 20 0 JHADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C(C)C)c2)CC1 ZINC001310598287 1069041987 /nfs/dbraw/zinc/04/19/87/1069041987.db2.gz XMBYKMFPLPAMJP-JOCHJYFZSA-N 1 0 459.635 3.938 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001306497848 1069047940 /nfs/dbraw/zinc/04/79/40/1069047940.db2.gz YIIZDFQSCOFNLZ-XZOQPEGZSA-N 1 0 452.647 3.951 20 0 JHADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC001310608496 1069050835 /nfs/dbraw/zinc/05/08/35/1069050835.db2.gz LSNBTEBSWMJDDF-MRXNPFEDSA-N 1 0 451.493 3.667 20 0 JHADRO CN1CC[N@H+](CCCNC(=O)Nc2ccnn2Cc2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC001310610780 1069054082 /nfs/dbraw/zinc/05/40/82/1069054082.db2.gz BPNTUCCASGHIHC-QHCPKHFHSA-N 1 0 450.562 3.571 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001306500946 1069062950 /nfs/dbraw/zinc/06/29/50/1069062950.db2.gz UBQGJPVVXXRIMT-NRFANRHFSA-N 1 0 468.646 3.713 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001306502473 1069069632 /nfs/dbraw/zinc/06/96/32/1069069632.db2.gz KEJGJPHIPFYLLU-DNVJHFABSA-N 1 0 486.636 3.847 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001306503377 1069073449 /nfs/dbraw/zinc/07/34/49/1069073449.db2.gz ZCGGFNHBIBLFOX-HBMCJLEFSA-N 1 0 455.651 3.526 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C[N@H+](C)CC)c2)C1 ZINC001306505049 1069080083 /nfs/dbraw/zinc/08/00/83/1069080083.db2.gz LREWCYTWHJUFBN-DHIUTWEWSA-N 1 0 468.646 3.515 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001306505894 1069084144 /nfs/dbraw/zinc/08/41/44/1069084144.db2.gz PKGJCIBEWRLBEG-UPVQGACJSA-N 1 0 496.700 3.905 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(C(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001306506673 1069087427 /nfs/dbraw/zinc/08/74/27/1069087427.db2.gz XDQDRPCZFFHFIJ-XMMPIXPASA-N 1 0 482.673 3.578 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306507515 1069092676 /nfs/dbraw/zinc/09/26/76/1069092676.db2.gz SIUVMDGCGYHGGU-UXHICEINSA-N 1 0 488.627 3.764 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@H+](C)C(C)C)CC1 ZINC001306508505 1069096065 /nfs/dbraw/zinc/09/60/65/1069096065.db2.gz FSLUTONRXPLNJA-UHFFFAOYSA-N 1 0 477.053 3.832 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001306509769 1069099356 /nfs/dbraw/zinc/09/93/56/1069099356.db2.gz PUKDVZUAYIJHMD-UHFFFAOYSA-N 1 0 496.700 3.628 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001306510977 1069103789 /nfs/dbraw/zinc/10/37/89/1069103789.db2.gz NARQACBUJGPIDV-QHCPKHFHSA-N 1 0 479.604 3.667 20 0 JHADRO CC(C)(C)OC(=O)CCc1cccc(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001310675724 1069103979 /nfs/dbraw/zinc/10/39/79/1069103979.db2.gz IVZJZCQRGVZUKA-SANMLTNESA-N 1 0 453.583 3.719 20 0 JHADRO CCc1c(NC(=O)NC2CCN(CC[NH+](C)C)CC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001310679724 1069105930 /nfs/dbraw/zinc/10/59/30/1069105930.db2.gz FTAVVOGHKGTBSZ-UHFFFAOYSA-N 1 0 452.525 3.601 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001306512522 1069108828 /nfs/dbraw/zinc/10/88/28/1069108828.db2.gz OYSCDNKJEGLNRK-OAQYLSRUSA-N 1 0 467.662 3.654 20 0 JHADRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC001310696661 1069117530 /nfs/dbraw/zinc/11/75/30/1069117530.db2.gz IRTWPCKBMGLVMG-UHFFFAOYSA-N 1 0 456.747 3.710 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001306515821 1069119469 /nfs/dbraw/zinc/11/94/69/1069119469.db2.gz AOSCEDVUUFTELD-QFIPXVFZSA-N 1 0 482.673 3.818 20 0 JHADRO Cc1nc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)sc1Cc1cccc(Cl)c1F ZINC001310742626 1069145393 /nfs/dbraw/zinc/14/53/93/1069145393.db2.gz ZEPSTZAKYXGRCD-CQSZACIVSA-N 1 0 454.015 3.840 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001306528699 1069163341 /nfs/dbraw/zinc/16/33/41/1069163341.db2.gz HDRDURUZMPMLSN-HSZRJFAPSA-N 1 0 475.062 3.971 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001306530189 1069168742 /nfs/dbraw/zinc/16/87/42/1069168742.db2.gz CLQGZGBXOOXGQK-MHZLTWQESA-N 1 0 468.690 3.799 20 0 JHADRO O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001310824170 1069179192 /nfs/dbraw/zinc/17/91/92/1069179192.db2.gz BHFDRDBSUNOLSF-ROUUACIJSA-N 1 0 455.456 3.530 20 0 JHADRO CCC[C@@](C)(O)Cn1c(C2CCCC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001306536195 1069180497 /nfs/dbraw/zinc/18/04/97/1069180497.db2.gz MBTOZVUMVOGETE-AREMUKBSSA-N 1 0 454.663 3.745 20 0 JHADRO CCC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001306543568 1069194893 /nfs/dbraw/zinc/19/48/93/1069194893.db2.gz VKNBXBRBINOZMY-HNVPCBRESA-N 1 0 454.663 3.906 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c(-c2cccc3cccnc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001306546204 1069202989 /nfs/dbraw/zinc/20/29/89/1069202989.db2.gz AQQFIRFGHDWJDM-PCCBWWKXSA-N 1 0 477.657 3.965 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001306546289 1069203367 /nfs/dbraw/zinc/20/33/67/1069203367.db2.gz BMBUDLAMACHFKH-FQEVSTJZSA-N 1 0 470.662 3.817 20 0 JHADRO C[C@@H]1[C@@H](NC(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001310886615 1069210193 /nfs/dbraw/zinc/21/01/93/1069210193.db2.gz PFNLEKJQWLFKRB-BPQIPLTHSA-N 1 0 458.525 3.794 20 0 JHADRO COc1cc(NC(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)ccc1OCC[NH+](C)C ZINC001310892475 1069212157 /nfs/dbraw/zinc/21/21/57/1069212157.db2.gz ZVGPRKYOJDQSPH-GOSISDBHSA-N 1 0 450.580 3.547 20 0 JHADRO CCC[C@@H](C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001306551109 1069214822 /nfs/dbraw/zinc/21/48/22/1069214822.db2.gz LCOVLAGLNRXVAZ-NFBKMPQASA-N 1 0 470.637 3.625 20 0 JHADRO C[C@H]1C[NH+](CCCNC(=O)Nc2cnc(-c3ccc(Br)s3)nc2)C[C@H](C)O1 ZINC001310919156 1069221514 /nfs/dbraw/zinc/22/15/14/1069221514.db2.gz IJNMOHVGDNWLSS-STQMWFEESA-N 1 0 454.394 3.588 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001306554908 1069221685 /nfs/dbraw/zinc/22/16/85/1069221685.db2.gz DZOBDCWXUQSVFT-PMVMPFDFSA-N 1 0 482.673 3.699 20 0 JHADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)CC1 ZINC001310929683 1069225367 /nfs/dbraw/zinc/22/53/67/1069225367.db2.gz KXNGPWIJUBDNES-AVRWGWEMSA-N 1 0 455.603 3.592 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[N@@H+]1CC ZINC001306567631 1069235096 /nfs/dbraw/zinc/23/50/96/1069235096.db2.gz MVOUJVHPOZESAR-HKUYNNGSSA-N 1 0 461.680 3.656 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[N@@H+]1CC ZINC001306567634 1069235125 /nfs/dbraw/zinc/23/51/25/1069235125.db2.gz MVOUJVHPOZESAR-IEBWSBKVSA-N 1 0 461.680 3.656 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306570187 1069237523 /nfs/dbraw/zinc/23/75/23/1069237523.db2.gz RMOAEAZUXMSLBY-PCCBWWKXSA-N 1 0 495.672 3.564 20 0 JHADRO O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001310980029 1069238485 /nfs/dbraw/zinc/23/84/85/1069238485.db2.gz MDLTXVOOUGRVHY-AWEZNQCLSA-N 1 0 455.506 3.989 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001306587905 1069255937 /nfs/dbraw/zinc/25/59/37/1069255937.db2.gz YRYXUYAXEKJRDB-KSEOMHKRSA-N 1 0 467.662 3.654 20 0 JHADRO Cc1c(NC(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)noc1C(C)(C)C ZINC001311135578 1069281866 /nfs/dbraw/zinc/28/18/66/1069281866.db2.gz DFITYSZGYHVKLX-UHFFFAOYSA-N 1 0 455.603 3.773 20 0 JHADRO CC(=O)c1ccc(Br)c(NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001311139444 1069282371 /nfs/dbraw/zinc/28/23/71/1069282371.db2.gz IZPJFVGIOJPENS-UHFFFAOYSA-N 1 0 459.388 3.591 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC001311162338 1069286724 /nfs/dbraw/zinc/28/67/24/1069286724.db2.gz CCLILSLCBCGINY-SIKLNZKXSA-N 1 0 457.619 3.740 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1(C)C ZINC001311164097 1069287089 /nfs/dbraw/zinc/28/70/89/1069287089.db2.gz TYFBWKQTBSQSOU-OAQYLSRUSA-N 1 0 457.619 3.834 20 0 JHADRO COc1cc([C@@H](C)NC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc(OC)c1OC ZINC001311163782 1069287116 /nfs/dbraw/zinc/28/71/16/1069287116.db2.gz QBXIQXXGDORXMU-DYESRHJHSA-N 1 0 454.571 3.880 20 0 JHADRO O=C(NCCNc1cccc(Br)c1)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001311164787 1069287690 /nfs/dbraw/zinc/28/76/90/1069287690.db2.gz ZADDLRVRVXPPMP-OAQYLSRUSA-N 1 0 458.404 3.967 20 0 JHADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cc(C(=O)NCC(C)(C)C)ccc1Cl ZINC001311191877 1069294137 /nfs/dbraw/zinc/29/41/37/1069294137.db2.gz VCJDHEQCGWLTJP-INIZCTEOSA-N 1 0 451.011 3.833 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](CC)[NH+]2CCCC2)CCO1 ZINC001306615932 1069296742 /nfs/dbraw/zinc/29/67/42/1069296742.db2.gz CPMRYZJKRSCXJO-MOPGFXCFSA-N 1 0 479.467 3.926 20 0 JHADRO COC(=O)c1cc(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCOCC2)ccc1SC ZINC001311212000 1069299017 /nfs/dbraw/zinc/29/90/17/1069299017.db2.gz XLVZNORDKWMCRV-UHFFFAOYSA-N 1 0 457.596 3.998 20 0 JHADRO CCC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)CC[N@@H+]1CCOC ZINC001306620083 1069305726 /nfs/dbraw/zinc/30/57/26/1069305726.db2.gz XCGHAEVNHSDEIL-QFIPXVFZSA-N 1 0 485.677 3.655 20 0 JHADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1 ZINC001311254924 1069309326 /nfs/dbraw/zinc/30/93/26/1069309326.db2.gz JVASVBAVSHPOHQ-SFHVURJKSA-N 1 0 453.425 3.776 20 0 JHADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164387947 718814410 /nfs/dbraw/zinc/81/44/10/718814410.db2.gz KMQPPJUQPQEVEX-HNNXBMFYSA-N 1 0 468.854 3.753 20 0 JHADRO CCS(=O)(=O)c1cc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)cnc1Cl ZINC001164414791 718882116 /nfs/dbraw/zinc/88/21/16/718882116.db2.gz XELNTXZFWLTHOD-CYBMUJFWSA-N 1 0 461.884 3.727 20 0 JHADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCCO[C@@]5(C[NH2+]CCOC5)C4)c23)c1 ZINC001164422827 718916675 /nfs/dbraw/zinc/91/66/75/718916675.db2.gz BKVJMBONBWAEQW-VWLOTQADSA-N 1 0 499.706 3.991 20 0 JHADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164432344 718970668 /nfs/dbraw/zinc/97/06/68/718970668.db2.gz GMOVPELIMANZSZ-MOPGFXCFSA-N 1 0 490.860 3.863 20 0 JHADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164432346 718971142 /nfs/dbraw/zinc/97/11/42/718971142.db2.gz GMOVPELIMANZSZ-RBUKOAKNSA-N 1 0 490.860 3.863 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)C2 ZINC001164617798 719009021 /nfs/dbraw/zinc/00/90/21/719009021.db2.gz PWVGFFOEUIPTRI-IIBYNOLFSA-N 1 0 452.933 3.911 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)C2 ZINC001164619316 719010597 /nfs/dbraw/zinc/01/05/97/719010597.db2.gz VQGVUHRRIDVYQP-JPYJTQIMSA-N 1 0 494.970 3.986 20 0 JHADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164613817 719025955 /nfs/dbraw/zinc/02/59/55/719025955.db2.gz GAYMENRVGDGJNT-UHFFFAOYSA-N 1 0 474.989 3.704 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)CC2)CC1 ZINC001164617420 719028217 /nfs/dbraw/zinc/02/82/17/719028217.db2.gz LMLVZGVUPSEDDW-UHFFFAOYSA-N 1 0 451.011 3.507 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)c(Cl)n1 ZINC001164617849 719030966 /nfs/dbraw/zinc/03/09/66/719030966.db2.gz PXYINNCJQWCNBK-UHFFFAOYSA-N 1 0 473.948 3.701 20 0 JHADRO CC(=O)Oc1cc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2cc1OC(C)=O ZINC001164626741 719088849 /nfs/dbraw/zinc/08/88/49/719088849.db2.gz IQRKSUQMQPHJNF-NFBKMPQASA-N 1 0 460.534 3.581 20 0 JHADRO CC(=O)Oc1cc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2cc1OC(C)=O ZINC001164626745 719088941 /nfs/dbraw/zinc/08/89/41/719088941.db2.gz IQRKSUQMQPHJNF-OFNKIYASSA-N 1 0 460.534 3.581 20 0 JHADRO c1cncc(OCc2nn(CC3CC3)c3c2CN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)c1 ZINC001164656532 719323345 /nfs/dbraw/zinc/32/33/45/719323345.db2.gz XQMRPFSDBMRFKV-UHFFFAOYSA-N 1 0 474.609 3.699 20 0 JHADRO O=C(CC1CC1)N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@@H]21 ZINC001164652598 719324427 /nfs/dbraw/zinc/32/44/27/719324427.db2.gz CLUAJMYCKKADSQ-LOLUNWTRSA-N 1 0 460.622 3.540 20 0 JHADRO CC(C)C[NH+]1CCN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000215850656 719337489 /nfs/dbraw/zinc/33/74/89/719337489.db2.gz NEPYINRKDZXMBQ-UHFFFAOYSA-N 1 0 451.640 3.969 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4[nH]ccc43)CC2)c2ccccc21 ZINC001164680953 719655608 /nfs/dbraw/zinc/65/56/08/719655608.db2.gz JQQDZOCRMDILMW-QGZVFWFLSA-N 1 0 467.017 3.705 20 0 JHADRO CCOC(=O)c1ccc(C)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681372 719655618 /nfs/dbraw/zinc/65/56/18/719655618.db2.gz MOMDLNRUSKYNAP-OAQYLSRUSA-N 1 0 478.637 3.660 20 0 JHADRO COc1cc(Cl)cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680199 719659713 /nfs/dbraw/zinc/65/97/13/719659713.db2.gz DCMCFONSMLMVCW-GOSISDBHSA-N 1 0 457.018 3.837 20 0 JHADRO COc1cccc2c1ncnc2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681407 719661645 /nfs/dbraw/zinc/66/16/45/719661645.db2.gz NUHXUOBSFNANQU-HXUWFJFHSA-N 1 0 473.621 3.732 20 0 JHADRO CCOC(=O)c1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C)c1 ZINC001164685374 719663489 /nfs/dbraw/zinc/66/34/89/719663489.db2.gz ZUFQNHUYGKYVPT-NRFANRHFSA-N 1 0 478.637 3.660 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)CC2 ZINC001164689903 719742305 /nfs/dbraw/zinc/74/23/05/719742305.db2.gz OGBAINVJPGEJSA-IBGZPJMESA-N 1 0 496.725 3.593 20 0 JHADRO Fc1cccnc1N(c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164693300 719758296 /nfs/dbraw/zinc/75/82/96/719758296.db2.gz YXEDPMWNUKTQRT-NIYFSFCBSA-N 1 0 495.002 3.882 20 0 JHADRO Fc1cccnc1N(c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164693306 719759014 /nfs/dbraw/zinc/75/90/14/719759014.db2.gz YXEDPMWNUKTQRT-SIBVEZHUSA-N 1 0 495.002 3.882 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1C ZINC001164693610 719812364 /nfs/dbraw/zinc/81/23/64/719812364.db2.gz XBCXORNECCXVII-UHFFFAOYSA-N 1 0 475.018 3.808 20 0 JHADRO COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1Cl ZINC001164694641 719889308 /nfs/dbraw/zinc/88/93/08/719889308.db2.gz BOGRJNUSTCHUCJ-UHFFFAOYSA-N 1 0 471.957 3.999 20 0 JHADRO CCOC(=O)c1cnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)cc1OCC ZINC001164714082 720116410 /nfs/dbraw/zinc/11/64/10/720116410.db2.gz AAKNQWUZFZJOED-OAQYLSRUSA-N 1 0 468.598 3.560 20 0 JHADRO CCOC(=O)c1ccc2ncnc(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)c2c1 ZINC001164715479 720118758 /nfs/dbraw/zinc/11/87/58/720118758.db2.gz GACCLVINPAESCR-QFIPXVFZSA-N 1 0 475.593 3.709 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cc(C(=O)OC)ccc31)CC2 ZINC001164714913 720119377 /nfs/dbraw/zinc/11/93/77/720119377.db2.gz FEVPOYOMIFIUEW-FQEVSTJZSA-N 1 0 496.011 3.972 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(OC)cc(OC)c31)CC2 ZINC001164719505 720122239 /nfs/dbraw/zinc/12/22/39/720122239.db2.gz XQWANAKAUBVLCW-HXUWFJFHSA-N 1 0 463.582 3.550 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CCC(C)CC1)CC2 ZINC001164712208 720141005 /nfs/dbraw/zinc/14/10/05/720141005.db2.gz KWSALYKUKRLYAB-XMMPIXPASA-N 1 0 477.653 3.856 20 0 JHADRO Cn1nnc2c1CCN(c1nc(-c3ccsc3)nc3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716636 720197729 /nfs/dbraw/zinc/19/77/29/720197729.db2.gz QLAONVMZPQQZAO-JOCHJYFZSA-N 1 0 475.622 3.703 20 0 JHADRO Cn1nnc2c1CCN(c1c(Cl)ccc3ccc(Cl)nc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164718466 720204029 /nfs/dbraw/zinc/20/40/29/720204029.db2.gz ZOMRXJSEHQUQNC-SFHVURJKSA-N 1 0 461.397 3.886 20 0 JHADRO Cn1nnc2c1CCN(c1nc(Cl)cc(C3CCCCC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718924 720204562 /nfs/dbraw/zinc/20/45/62/720204562.db2.gz PBUJTFHYGDZZAH-FQEVSTJZSA-N 1 0 460.026 3.522 20 0 JHADRO CCc1cccc(Oc2nc(Cl)ncc2N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1 ZINC001164718872 720204667 /nfs/dbraw/zinc/20/46/67/720204667.db2.gz NXLGLXCHBFHSNL-JOCHJYFZSA-N 1 0 498.031 3.829 20 0 JHADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164717821 720204747 /nfs/dbraw/zinc/20/47/47/720204747.db2.gz IZXDNWAEITWCFU-FQEVSTJZSA-N 1 0 484.004 3.575 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3sc4c(c31)CC[C@@H](C)C4)CCC2 ZINC001164814044 720222176 /nfs/dbraw/zinc/22/21/76/720222176.db2.gz RQBGFPOZNPUCGI-MRXNPFEDSA-N 1 0 452.628 3.623 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3ncc(Cl)nc3c2)CC1 ZINC001164818927 720303880 /nfs/dbraw/zinc/30/38/80/720303880.db2.gz BSFLUOJJZJHOOT-WOJBJXKFSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)CC1 ZINC001164823957 720316633 /nfs/dbraw/zinc/31/66/33/720316633.db2.gz CALLGJNUBAYXHG-MOPGFXCFSA-N 1 0 481.950 3.879 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)ncc2C(=O)OC(C)(C)C)CC1 ZINC001164824647 720325864 /nfs/dbraw/zinc/32/58/64/720325864.db2.gz CPBSCJYYSLDIFM-RBUKOAKNSA-N 1 0 463.022 3.602 20 0 JHADRO CCc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCC3 ZINC001164831701 720336640 /nfs/dbraw/zinc/33/66/40/720336640.db2.gz ZROXHIPPPYKDBZ-RBUKOAKNSA-N 1 0 453.656 3.654 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC001164823475 720337697 /nfs/dbraw/zinc/33/76/97/720337697.db2.gz GIOOCKMUJXZYEK-DNQXCXABSA-N 1 0 456.594 3.603 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC001164823477 720338128 /nfs/dbraw/zinc/33/81/28/720338128.db2.gz GIOOCKMUJXZYEK-ZEQRLZLVSA-N 1 0 456.594 3.603 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc(-c3ccc(F)cc3)n2)CC1 ZINC001164827508 720343908 /nfs/dbraw/zinc/34/39/08/720343908.db2.gz MLIBXXQSEDLJKB-VQTJNVASSA-N 1 0 457.981 3.848 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3[C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164821748 720345360 /nfs/dbraw/zinc/34/53/60/720345360.db2.gz BQQHHQKORZMJPC-TZBSWOFLSA-N 1 0 488.007 3.836 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(SCc3ccccc3)n2)CC1 ZINC001164827479 720348630 /nfs/dbraw/zinc/34/86/30/720348630.db2.gz MBRQSRXQLSYCIC-FGZHOGPDSA-N 1 0 451.640 3.680 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccncc3)nc3sccc32)CC1 ZINC001164822793 720349265 /nfs/dbraw/zinc/34/92/65/720349265.db2.gz FILIJSPPMOAVAC-SFTDATJTSA-N 1 0 462.623 3.665 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccncc3)nc3sccc32)CC1 ZINC001164822791 720349651 /nfs/dbraw/zinc/34/96/51/720349651.db2.gz FILIJSPPMOAVAC-RTWAWAEBSA-N 1 0 462.623 3.665 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(C(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001164822173 720350360 /nfs/dbraw/zinc/35/03/60/720350360.db2.gz CCKFCSHCPQJGKA-PMACEKPBSA-N 1 0 463.022 3.602 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC1 ZINC001164821798 720353284 /nfs/dbraw/zinc/35/32/84/720353284.db2.gz CAWRWMALSRJMFN-JKSUJKDBSA-N 1 0 463.356 3.725 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(Cl)(Cl)Oc2ccc(Cl)nc2)CC1 ZINC001164829645 720355344 /nfs/dbraw/zinc/35/53/44/720355344.db2.gz UAWPFJCOEMYFNI-DLBZAZTESA-N 1 0 461.821 3.610 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)nc1 ZINC001164826891 720385034 /nfs/dbraw/zinc/38/50/34/720385034.db2.gz YDBFJNMBLZVTAY-HSZRJFAPSA-N 1 0 482.698 3.707 20 0 JHADRO c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164733429 720438639 /nfs/dbraw/zinc/43/86/39/720438639.db2.gz POZHHJXMXFYWOE-FCHUYYIVSA-N 1 0 490.677 3.651 20 0 JHADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164833880 720508742 /nfs/dbraw/zinc/50/87/42/720508742.db2.gz DSCRUHFJTKGGAJ-PCCBWWKXSA-N 1 0 487.608 3.634 20 0 JHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)Oc2ccc3nc(Cl)c(Cl)nc3c2)C1 ZINC001164728762 720514132 /nfs/dbraw/zinc/51/41/32/720514132.db2.gz LDZLRPHKIPHUFZ-GFCCVEGCSA-N 1 0 457.312 3.756 20 0 JHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835010 720531798 /nfs/dbraw/zinc/53/17/98/720531798.db2.gz GPNHXNAZLDPQSR-TXPKVOOTSA-N 1 0 467.948 3.641 20 0 JHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835008 720532293 /nfs/dbraw/zinc/53/22/93/720532293.db2.gz GPNHXNAZLDPQSR-GPMSIDNRSA-N 1 0 467.948 3.641 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3CCN(Cc3ccccc3)C4)CC[C@@H]21 ZINC001164842934 720534546 /nfs/dbraw/zinc/53/45/46/720534546.db2.gz ZASNPHMKPHGPTI-DXBVXKBHSA-N 1 0 471.653 3.609 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3ncn4[C@@H]3CCCCO3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843051 720542178 /nfs/dbraw/zinc/54/21/78/720542178.db2.gz ZOVZBUZWBURSPX-WCIQWLHISA-N 1 0 485.036 3.753 20 0 JHADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1 ZINC001164736381 720544672 /nfs/dbraw/zinc/54/46/72/720544672.db2.gz XHWREPVOIDZILT-HNNXBMFYSA-N 1 0 472.964 3.758 20 0 JHADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c12 ZINC001164736143 720581628 /nfs/dbraw/zinc/58/16/28/720581628.db2.gz DSYNNXORTKKUGZ-UHFFFAOYSA-N 1 0 455.610 3.951 20 0 JHADRO CC(C)[N@@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C(=O)N4CCC[C@@H](C)C4)cn3)CC[C@H]21 ZINC001164839241 720601102 /nfs/dbraw/zinc/60/11/02/720601102.db2.gz MQZSRRCJEPVJGT-MSNJVRRCSA-N 1 0 450.631 3.528 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3C(=O)N3CCc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836198 720601436 /nfs/dbraw/zinc/60/14/36/720601436.db2.gz FGDWCTFJVSGMAH-MVERNJQCSA-N 1 0 470.621 3.859 20 0 JHADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)c(OC)c1 ZINC001164843262 720623941 /nfs/dbraw/zinc/62/39/41/720623941.db2.gz XGAVVEUWXVKWJR-DCLXLUIPSA-N 1 0 462.598 3.735 20 0 JHADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743199 720672275 /nfs/dbraw/zinc/67/22/75/720672275.db2.gz WYBWLRAUUZVTMD-KGLIPLIRSA-N 1 0 467.307 3.613 20 0 JHADRO CCOC(=O)c1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc1OCC ZINC001164842615 720688781 /nfs/dbraw/zinc/68/87/81/720688781.db2.gz LNZPQVVFRKQLMR-OAQYLSRUSA-N 1 0 453.583 3.917 20 0 JHADRO CCOC(=O)c1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc1OCC ZINC001164842614 720689470 /nfs/dbraw/zinc/68/94/70/720689470.db2.gz LNZPQVVFRKQLMR-NRFANRHFSA-N 1 0 453.583 3.917 20 0 JHADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737908 720709360 /nfs/dbraw/zinc/70/93/60/720709360.db2.gz HRQGASXEYMPTQT-CHWSQXEVSA-N 1 0 467.307 3.613 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1S(=O)(=O)N1CCCCC1)CC2 ZINC001164840959 720718377 /nfs/dbraw/zinc/71/83/77/720718377.db2.gz SZTYOUVTNBNOJN-QHCPKHFHSA-N 1 0 484.666 3.516 20 0 JHADRO c1ccc(COc2ccc3nc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)ccc3c2)cc1 ZINC001164741024 720719585 /nfs/dbraw/zinc/71/95/85/720719585.db2.gz RXSJAHAFZDMOPU-ISKFKSNPSA-N 1 0 453.546 3.946 20 0 JHADRO Clc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164750640 720803113 /nfs/dbraw/zinc/80/31/13/720803113.db2.gz WLMXNSOHTRFVAP-WBVHZDCISA-N 1 0 459.337 3.708 20 0 JHADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742665 720817829 /nfs/dbraw/zinc/81/78/29/720817829.db2.gz QJOGRQDNTYMIMI-YRISNDGFSA-N 1 0 473.959 3.799 20 0 JHADRO Clc1ncc(OCc2ccccc2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164745641 720830771 /nfs/dbraw/zinc/83/07/71/720830771.db2.gz XOLJOLNJCYQWPT-YPAWHYETSA-N 1 0 480.016 3.680 20 0 JHADRO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2cc1C ZINC001164742508 720837094 /nfs/dbraw/zinc/83/70/94/720837094.db2.gz HCOMWHYKLFKCFY-WOIUINJBSA-N 1 0 452.006 3.871 20 0 JHADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742433 720840593 /nfs/dbraw/zinc/84/05/93/720840593.db2.gz GKUTUVKXBXNFTJ-LLGFUMIMSA-N 1 0 489.958 3.679 20 0 JHADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746569 720842216 /nfs/dbraw/zinc/84/22/16/720842216.db2.gz ORNKYQAKRJYGHF-RCCFBDPRSA-N 1 0 461.948 3.732 20 0 JHADRO c1ncn(C[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164747707 720846493 /nfs/dbraw/zinc/84/64/93/720846493.db2.gz RJUCCBGRDZIYIQ-SGIRGMQISA-N 1 0 466.593 3.663 20 0 JHADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c(-c6ccccc6)nsc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743901 720848543 /nfs/dbraw/zinc/84/85/43/720848543.db2.gz JWBVZMFGNZSOFX-QHAWAJNXSA-N 1 0 472.622 3.724 20 0 JHADRO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164754042 720852422 /nfs/dbraw/zinc/85/24/22/720852422.db2.gz ZUIRTVOLXGFAFX-TZBSWOFLSA-N 1 0 459.598 3.513 20 0 JHADRO COc1ccc(Oc2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc(C)n2)cc1 ZINC001164746031 720855631 /nfs/dbraw/zinc/85/56/31/720855631.db2.gz FHKRGRHOAFKSOS-ZFGGDYGUSA-N 1 0 475.597 3.557 20 0 JHADRO CC(C)(C)OC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164746203 720856034 /nfs/dbraw/zinc/85/60/34/720856034.db2.gz GJBIPKHSYDJVQN-SVFBPWRDSA-N 1 0 473.021 3.661 20 0 JHADRO CC(C)(C)OC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164746194 720856065 /nfs/dbraw/zinc/85/60/65/720856065.db2.gz GJBIPKHSYDJVQN-IRFCIJBXSA-N 1 0 473.021 3.661 20 0 JHADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164753014 720861198 /nfs/dbraw/zinc/86/11/98/720861198.db2.gz VACWDTLVCWOJNT-LLGFUMIMSA-N 1 0 462.976 3.740 20 0 JHADRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1NCC1CC1 ZINC001164750623 720867368 /nfs/dbraw/zinc/86/73/68/720867368.db2.gz JKXDAKNQFQMOHY-RPLLCQBOSA-N 1 0 462.642 3.757 20 0 JHADRO FC(F)(c1ccnc(Cl)n1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754927 720867556 /nfs/dbraw/zinc/86/75/56/720867556.db2.gz UTCVZHABCBYAGV-UGKGYDQZSA-N 1 0 463.960 3.825 20 0 JHADRO COC(=O)c1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754449 720870496 /nfs/dbraw/zinc/87/04/96/720870496.db2.gz RUCUFLUMZWNRBY-CPJSRVTESA-N 1 0 471.001 3.672 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC[C@@H]2C1 ZINC001164854444 720877741 /nfs/dbraw/zinc/87/77/41/720877741.db2.gz FGIQCDOWBWMXGY-XLIONFOSSA-N 1 0 452.933 3.515 20 0 JHADRO CCOC(=O)c1cc(C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164749896 720877995 /nfs/dbraw/zinc/87/79/95/720877995.db2.gz IBSRFWFXMNKYDC-YIXXDRMTSA-N 1 0 464.610 3.717 20 0 JHADRO CCOC(=O)c1cc(C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164749868 720878116 /nfs/dbraw/zinc/87/81/16/720878116.db2.gz IBSRFWFXMNKYDC-HOFKKMOUSA-N 1 0 464.610 3.717 20 0 JHADRO Cn1ccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758474 720882686 /nfs/dbraw/zinc/88/26/86/720882686.db2.gz YJGHAXGBLGAJIB-NLFFAJNJSA-N 1 0 467.017 3.772 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)CC[C@@H]2C1 ZINC001164856716 720883157 /nfs/dbraw/zinc/88/31/57/720883157.db2.gz JBMGBKFCISVNMQ-AUSIDOKSSA-N 1 0 457.018 3.849 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nc(-c4ccc(F)c(Cl)c4)n3)CC[C@@H]2C1 ZINC001164864690 720886672 /nfs/dbraw/zinc/88/66/72/720886672.db2.gz WLXUDEBZKGTQGA-QAPCUYQASA-N 1 0 455.361 3.763 20 0 JHADRO COC(=O)c1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1Cl ZINC001164755334 720888094 /nfs/dbraw/zinc/88/80/94/720888094.db2.gz LAOUZDNVFLSYPU-NLFFAJNJSA-N 1 0 471.001 3.672 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(Cl)cc3)CC[C@@H]2C1 ZINC001164864538 720889000 /nfs/dbraw/zinc/88/90/00/720889000.db2.gz WACRVCGSHCQFLR-BEFAXECRSA-N 1 0 453.370 3.749 20 0 JHADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750911 720889823 /nfs/dbraw/zinc/88/98/23/720889823.db2.gz CEFBRFZKHRDKOQ-LXFBAYGMSA-N 1 0 491.636 3.681 20 0 JHADRO COc1ccc2ncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164755942 720890271 /nfs/dbraw/zinc/89/02/71/720890271.db2.gz NOGNJKXQZQJLCS-WXVAWEFUSA-N 1 0 459.594 3.789 20 0 JHADRO CC(C)(C)Oc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164756560 720891867 /nfs/dbraw/zinc/89/18/67/720891867.db2.gz QGYPMVUUJGHAQX-BKMJKUGQSA-N 1 0 451.615 3.804 20 0 JHADRO COc1cc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c(OC)c1 ZINC001164750789 720894013 /nfs/dbraw/zinc/89/40/13/720894013.db2.gz BZBGITMLNUHLEG-DFHRPNOPSA-N 1 0 489.620 3.797 20 0 JHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccnc(-c4cccnc4)n2)C3)c1 ZINC001164756836 720894413 /nfs/dbraw/zinc/89/44/13/720894413.db2.gz RIUBXSFZSLOUSZ-RPLLCQBOSA-N 1 0 456.594 3.689 20 0 JHADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755681 720895136 /nfs/dbraw/zinc/89/51/36/720895136.db2.gz MNMSVWSAOBGJKT-CUNXSJBXSA-N 1 0 479.625 3.582 20 0 JHADRO COc1nc(-c2ccccc2)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758083 720895880 /nfs/dbraw/zinc/89/58/80/720895880.db2.gz WLKDXBKZHDZROB-UFHPHHKVSA-N 1 0 486.620 3.697 20 0 JHADRO CCOC(=O)/C=C\c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164755962 720897435 /nfs/dbraw/zinc/89/74/35/720897435.db2.gz NTVULCFLLSZQGG-MMDPSESJSA-N 1 0 476.621 3.808 20 0 JHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cncc(N4CCCCC4)n2)C3)c1 ZINC001164750669 720898746 /nfs/dbraw/zinc/89/87/46/720898746.db2.gz BMQRODSTSHIYLY-SQHAQQRYSA-N 1 0 462.642 3.617 20 0 JHADRO CC(C)(C)NC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752652 720899280 /nfs/dbraw/zinc/89/92/80/720899280.db2.gz FOVDUKGVUDHNGP-UFHPHHKVSA-N 1 0 477.653 3.760 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCc4ccccn4)[C@H]3C2)nc1 ZINC001164762656 721022558 /nfs/dbraw/zinc/02/25/58/721022558.db2.gz WEXPCNLIRWOKRG-VPBXCIAMSA-N 1 0 463.626 3.571 20 0 JHADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)nc5c4S(=O)(=O)CC5)CC3)CC2)cc1 ZINC001164759500 721046446 /nfs/dbraw/zinc/04/64/46/721046446.db2.gz NLLDEBIGANEXRI-UHFFFAOYSA-N 1 0 461.031 3.651 20 0 JHADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(C(=O)NC5CCOCC5)nn4)CC3)CC2)cc1 ZINC001164759193 721047023 /nfs/dbraw/zinc/04/70/23/721047023.db2.gz KJYVHILMNDFGQP-UHFFFAOYSA-N 1 0 463.626 3.576 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C[C@@H]3C2)cn1 ZINC001164766417 721095137 /nfs/dbraw/zinc/09/51/37/721095137.db2.gz KFRDYNAKVUJXQF-CABCVRRESA-N 1 0 450.896 3.659 20 0 JHADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865640 721121550 /nfs/dbraw/zinc/12/15/50/721121550.db2.gz NTYRAXOEOXSFAW-SJLPKXTDSA-N 1 0 461.900 3.583 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871094 721136511 /nfs/dbraw/zinc/13/65/11/721136511.db2.gz DPJWBTTZNUZLBA-OALUTQOASA-N 1 0 472.927 3.612 20 0 JHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164878219 721143100 /nfs/dbraw/zinc/14/31/00/721143100.db2.gz PRSHYMJHSZAMQQ-YMPZKCBVSA-N 1 0 458.610 3.883 20 0 JHADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880665 721163750 /nfs/dbraw/zinc/16/37/50/721163750.db2.gz WURDUQDLFMYQDY-ZYKOEDHHSA-N 1 0 469.948 3.799 20 0 JHADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870072 721185729 /nfs/dbraw/zinc/18/57/29/721185729.db2.gz SLCKFRCAMDWFQU-WIYYLYMNSA-N 1 0 467.957 3.806 20 0 JHADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164766061 721199893 /nfs/dbraw/zinc/19/98/93/721199893.db2.gz IVSSPVQHKNSHKL-RPWUZVMVSA-N 1 0 455.610 3.788 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164767671 721227850 /nfs/dbraw/zinc/22/78/50/721227850.db2.gz KJAXZQJDJPOQQL-RPWUZVMVSA-N 1 0 457.626 3.826 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@H]3C2)cn1 ZINC001164769782 721237483 /nfs/dbraw/zinc/23/74/83/721237483.db2.gz ZPQXHSBHFYBBOY-XZOQPEGZSA-N 1 0 454.578 3.901 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)nc1 ZINC001164880870 721309435 /nfs/dbraw/zinc/30/94/35/721309435.db2.gz SWBJQMXEBWNGLS-WPFOTENUSA-N 1 0 454.640 3.776 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C3)O2)CC1 ZINC001164885090 721406974 /nfs/dbraw/zinc/40/69/74/721406974.db2.gz FLKMSTSOTUXTJM-XMSQKQJNSA-N 1 0 465.976 3.594 20 0 JHADRO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164894237 721429768 /nfs/dbraw/zinc/42/97/68/721429768.db2.gz KZZSBXARPLUCPB-OXJNMPFZSA-N 1 0 461.022 3.767 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(SCc5ccccc5)ncn4)C3)O2)CC1 ZINC001164895798 721443009 /nfs/dbraw/zinc/44/30/09/721443009.db2.gz POAOXTYAGYRBSA-RDGATRHJSA-N 1 0 453.656 3.534 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nnc(Cl)c5ccc(Cl)cc54)C3)O2)CC1 ZINC001164897135 721443665 /nfs/dbraw/zinc/44/36/65/721443665.db2.gz SPHIBOJYMHYYQV-VGOFRKELSA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(C(F)F)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164890718 721445797 /nfs/dbraw/zinc/44/57/97/721445797.db2.gz DMRGTZSVOSGAMF-SBUREZEXSA-N 1 0 465.976 3.986 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5c(Cl)cccc5nc4Cl)C3)O2)CC1 ZINC001164893811 721446142 /nfs/dbraw/zinc/44/61/42/721446142.db2.gz KRJOZUBSBIUWFF-KSFYIVLOSA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5cc(OCc6ccccc6)ccc54)C3)O2)CC1 ZINC001164884286 721447698 /nfs/dbraw/zinc/44/76/98/721447698.db2.gz ANGJRZMVVWBGHI-VAVYLYDRSA-N 1 0 487.648 3.974 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(C)cc(Cl)n1)CC2 ZINC001164790257 721451432 /nfs/dbraw/zinc/45/14/32/721451432.db2.gz XOIDFLMHWNEVRP-SFHVURJKSA-N 1 0 458.981 3.717 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)O2)CC1 ZINC001164892037 721451781 /nfs/dbraw/zinc/45/17/81/721451781.db2.gz VXSHAGGGTUIREG-FPOVZHCZSA-N 1 0 454.993 3.620 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(C)n1)CC2 ZINC001164785182 721453671 /nfs/dbraw/zinc/45/36/71/721453671.db2.gz HABIWUSTNBSRGM-GOSISDBHSA-N 1 0 458.981 3.717 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3OC)nn1)CC2 ZINC001164790006 721467238 /nfs/dbraw/zinc/46/72/38/721467238.db2.gz PWIDMZQDJNMFBQ-QFIPXVFZSA-N 1 0 466.626 3.886 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3ccccc3OC)ncn1)CC2 ZINC001164788033 721467866 /nfs/dbraw/zinc/46/78/66/721467866.db2.gz HQIOCSDZPLAGLA-QFIPXVFZSA-N 1 0 466.626 3.886 20 0 JHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001164791411 721475420 /nfs/dbraw/zinc/47/54/20/721475420.db2.gz IIPANRGGONHBGQ-UHFFFAOYSA-N 1 0 486.958 3.666 20 0 JHADRO Cc1sc2nc(CN3CCCCC3)nc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@@H]43)c3ncccn3)c2c1C ZINC001164792025 721484617 /nfs/dbraw/zinc/48/46/17/721484617.db2.gz KTIBWJFYJCKNIL-ACRUOGEOSA-N 1 0 493.681 3.847 20 0 JHADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164793587 721491997 /nfs/dbraw/zinc/49/19/97/721491997.db2.gz SZKPCZVBVQJZCJ-UHFFFAOYSA-N 1 0 464.639 3.804 20 0 JHADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CCC[C@H](OCC4CC4)[C@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164900370 721498482 /nfs/dbraw/zinc/49/84/82/721498482.db2.gz OJBVZEIXJFHNIL-KXEAFHOWSA-N 1 0 484.685 3.912 20 0 JHADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164795719 721500860 /nfs/dbraw/zinc/50/08/60/721500860.db2.gz KNVZAWGKTHVPCX-UHFFFAOYSA-N 1 0 471.671 3.825 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903013 721527765 /nfs/dbraw/zinc/52/77/65/721527765.db2.gz BURZBVURTIQYML-HKUYNNGSSA-N 1 0 468.554 3.863 20 0 JHADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909318 721528250 /nfs/dbraw/zinc/52/82/50/721528250.db2.gz RITXNXBZVPSTNQ-FUHWJXTLSA-N 1 0 496.917 3.723 20 0 JHADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905196 721546844 /nfs/dbraw/zinc/54/68/44/721546844.db2.gz GKSPFKHATMTHGZ-NBOBXGGBSA-N 1 0 496.583 3.733 20 0 JHADRO COc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164906509 721561810 /nfs/dbraw/zinc/56/18/10/721561810.db2.gz JRIUGJYJYZWHOI-UYAOXDASSA-N 1 0 480.540 3.650 20 0 JHADRO CCOC(=O)c1cc2c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)[nH]c(C)c(C)c-2n1 ZINC001164804009 721563373 /nfs/dbraw/zinc/56/33/73/721563373.db2.gz KQYNCGPATSBCGS-FIXSFTCYSA-N 1 0 463.582 3.620 20 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CC(C)N1Cc2c(nc(Cl)nc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)C1=O ZINC001164904981 721719811 /nfs/dbraw/zinc/71/98/11/721719811.db2.gz GGZVOVPQSJEAJG-QFIPXVFZSA-N 1 0 476.959 3.627 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1C ZINC001164908659 721721149 /nfs/dbraw/zinc/72/11/49/721721149.db2.gz YLAQUBKAMUJJPS-JOCHJYFZSA-N 1 0 490.942 3.541 20 0 JHADRO CCOC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1C(=O)OCC ZINC001164911846 721738249 /nfs/dbraw/zinc/73/82/49/721738249.db2.gz LBDGYUFTMBWTSG-XMMPIXPASA-N 1 0 488.535 3.568 20 0 JHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)CC1 ZINC001165009327 721742566 /nfs/dbraw/zinc/74/25/66/721742566.db2.gz BLTIDEZCKYDKCG-UHFFFAOYSA-N 1 0 464.610 3.707 20 0 JHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165011294 721745049 /nfs/dbraw/zinc/74/50/49/721745049.db2.gz UOSCNKUGRGNVGA-UHFFFAOYSA-N 1 0 496.725 3.689 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C2)nc1 ZINC001165013214 721754443 /nfs/dbraw/zinc/75/44/43/721754443.db2.gz KHNQKZVRACVDQJ-ZJSPYRCASA-N 1 0 477.653 3.614 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCC(=O)N(Cc4ccc(OC)cc4)[C@H]3C2)nc1 ZINC001165027478 721796880 /nfs/dbraw/zinc/79/68/80/721796880.db2.gz VUXJTJUIJXXHMP-DSNGMDLFSA-N 1 0 464.610 3.643 20 0 JHADRO CC(C)CCNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165020619 721825059 /nfs/dbraw/zinc/82/50/59/721825059.db2.gz CWCNFZNCEBMQHQ-OYDLWJJNSA-N 1 0 471.671 3.538 20 0 JHADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165026701 721825150 /nfs/dbraw/zinc/82/51/50/721825150.db2.gz PNFOHWPLWCKHJZ-VJBMBRPKSA-N 1 0 471.671 3.680 20 0 JHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3cc4c(cc32)OCCO4)CC1 ZINC001165021392 721839137 /nfs/dbraw/zinc/83/91/37/721839137.db2.gz MDUDUWVZHKSTKI-UHFFFAOYSA-N 1 0 450.539 3.519 20 0 JHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2c(Cl)nnc(Cl)c2N2CCOCC2)CC1 ZINC001165030885 721845488 /nfs/dbraw/zinc/84/54/88/721845488.db2.gz LOBUGANFUCYACA-UHFFFAOYSA-N 1 0 496.439 3.738 20 0 JHADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001164926675 721875194 /nfs/dbraw/zinc/87/51/94/721875194.db2.gz SFIVJPCKFGGVNT-UXHICEINSA-N 1 0 478.971 3.948 20 0 JHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@H]5[C@@H]4CC[N@@H+]5CCN(C)C)c23)C1 ZINC001164934817 721880152 /nfs/dbraw/zinc/88/01/52/721880152.db2.gz UPSGPVXEIFTMDY-GIVPXCGWSA-N 1 0 468.715 3.627 20 0 JHADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001164937148 721913777 /nfs/dbraw/zinc/91/37/77/721913777.db2.gz HXVQCCVYEICFPV-HDICACEKSA-N 1 0 481.691 3.927 20 0 JHADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCN(C[C@H]4CCCO4)CC3)c21 ZINC001165039533 721916213 /nfs/dbraw/zinc/91/62/13/721916213.db2.gz SJBKMQOUYSVLQX-OAQYLSRUSA-N 1 0 497.039 3.698 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4ncn5-c4ccccc4)CC3)C2)cc1 ZINC001164939930 721932767 /nfs/dbraw/zinc/93/27/67/721932767.db2.gz OZSQVUPVIZZKOT-UHFFFAOYSA-N 1 0 454.578 3.995 20 0 JHADRO CN(CC1CC[NH+](C)CC1)c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000505597985 721936573 /nfs/dbraw/zinc/93/65/73/721936573.db2.gz UMOSCXBZHPIXED-UHFFFAOYSA-N 1 0 451.640 3.969 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nc1 ZINC001165050795 721981807 /nfs/dbraw/zinc/98/18/07/721981807.db2.gz WROADESGYYAVKX-QPPBQGQZSA-N 1 0 450.583 3.507 20 0 JHADRO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955910 722022798 /nfs/dbraw/zinc/02/27/98/722022798.db2.gz SFVUYJPUUDPRHB-NRFANRHFSA-N 1 0 455.912 3.823 20 0 JHADRO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164959898 722028443 /nfs/dbraw/zinc/02/84/43/722028443.db2.gz JJQARQXYJJXHGE-BFLUCZKCSA-N 1 0 460.553 3.989 20 0 JHADRO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961165 722052757 /nfs/dbraw/zinc/05/27/57/722052757.db2.gz TWHJEWCIDOMYEU-UHFFFAOYSA-N 1 0 458.340 3.842 20 0 JHADRO CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961159 722052869 /nfs/dbraw/zinc/05/28/69/722052869.db2.gz SVECPCVBLJNZRD-UHFFFAOYSA-N 1 0 469.989 3.911 20 0 JHADRO COc1cccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963260 722055636 /nfs/dbraw/zinc/05/56/36/722055636.db2.gz KELDBIJGATUZCA-UHFFFAOYSA-N 1 0 453.974 3.806 20 0 JHADRO COc1ccc2nc(Cl)cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2n1 ZINC001164963797 722056883 /nfs/dbraw/zinc/05/68/83/722056883.db2.gz LGDHEKFQBWAUHD-UHFFFAOYSA-N 1 0 453.974 3.806 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975694 722111349 /nfs/dbraw/zinc/11/13/49/722111349.db2.gz KJMSKGGSXSLBIE-PZJWPPBQSA-N 1 0 479.606 3.504 20 0 JHADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973987 722122946 /nfs/dbraw/zinc/12/29/46/722122946.db2.gz IGSBVGAQEDPANM-RDGATRHJSA-N 1 0 472.568 3.741 20 0 JHADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164982315 722129933 /nfs/dbraw/zinc/12/99/33/722129933.db2.gz RPINIGIGNGJZOT-YLJYHZDGSA-N 1 0 470.936 3.579 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978886 722138305 /nfs/dbraw/zinc/13/83/05/722138305.db2.gz KJRYGQZOSDDLKV-PMACEKPBSA-N 1 0 486.954 3.859 20 0 JHADRO c1ccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)nc1 ZINC001164984179 722140700 /nfs/dbraw/zinc/14/07/00/722140700.db2.gz WEHAUYUOZLJNAY-BWKNWUBXSA-N 1 0 452.562 3.814 20 0 JHADRO c1cc2c(nc(-c3ccncc3)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164982705 722151742 /nfs/dbraw/zinc/15/17/42/722151742.db2.gz SEFAHLBGWCYMLE-UNMCSNQZSA-N 1 0 458.591 3.876 20 0 JHADRO COc1ccc(Cc2c(C)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2C)cc1 ZINC001164973887 722153475 /nfs/dbraw/zinc/15/34/75/722153475.db2.gz NLJVXSCPFPFPQF-RPLLCQBOSA-N 1 0 473.621 3.815 20 0 JHADRO CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164991915 722187530 /nfs/dbraw/zinc/18/75/30/722187530.db2.gz QQBRAWJIFGTONO-DEOSSOPVSA-N 1 0 462.638 3.741 20 0 JHADRO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)C1 ZINC001164996649 722208444 /nfs/dbraw/zinc/20/84/44/722208444.db2.gz UTUJVYXTCXAMJP-HFZDXXHNSA-N 1 0 467.589 3.640 20 0 JHADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004371 722256455 /nfs/dbraw/zinc/25/64/55/722256455.db2.gz QMIHJNXJBLDDBW-UHFFFAOYSA-N 1 0 471.989 3.750 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)CCO1 ZINC001306623007 1069313680 /nfs/dbraw/zinc/31/36/80/1069313680.db2.gz APXLOTHTIZFYSZ-TUNNFDKTSA-N 1 0 490.693 3.881 20 0 JHADRO CC1CC[NH+]([C@@H](CNC(=O)Nc2cc(=O)n(C)cc2Br)c2cccs2)CC1 ZINC001311282860 1069315804 /nfs/dbraw/zinc/31/58/04/1069315804.db2.gz WOECLAGKCRHSIX-INIZCTEOSA-N 1 0 453.406 3.804 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)c2c(C)noc2C)CC[N@@H+]1CCOC ZINC001306626452 1069321622 /nfs/dbraw/zinc/32/16/22/1069321622.db2.gz YMTVSQZNIMLGKO-BVYCBKJFSA-N 1 0 474.650 3.518 20 0 JHADRO CCS(=O)(=O)c1ccc2oc(NC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)nc2c1 ZINC001311329048 1069326505 /nfs/dbraw/zinc/32/65/05/1069326505.db2.gz QBULCYSDGWPEJO-FUHWJXTLSA-N 1 0 456.568 3.511 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CCO1 ZINC001306629340 1069328399 /nfs/dbraw/zinc/32/83/99/1069328399.db2.gz PFIHSSMQRFCYJW-DHIUTWEWSA-N 1 0 484.670 3.951 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCO1 ZINC001306630657 1069330195 /nfs/dbraw/zinc/33/01/95/1069330195.db2.gz XFUQIPFKEMCGOW-OAQYLSRUSA-N 1 0 476.691 3.529 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)[NH+]2CCCC2)cc1 ZINC001311343270 1069330747 /nfs/dbraw/zinc/33/07/47/1069330747.db2.gz CREMUIAJECQQEE-IFMALSPDSA-N 1 0 456.974 3.590 20 0 JHADRO CCC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001306631175 1069330913 /nfs/dbraw/zinc/33/09/13/1069330913.db2.gz RFLJRFWZMJZWBJ-QHCPKHFHSA-N 1 0 485.673 3.715 20 0 JHADRO O=C(NC1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1)OCc1ccccc1 ZINC001311342809 1069330925 /nfs/dbraw/zinc/33/09/25/1069330925.db2.gz FBHWSRUMSRFCQK-JOCHJYFZSA-N 1 0 454.571 3.907 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N[C@H](CO)c2ccccc2C(F)(F)F)[NH+]2CCCC2)cc1 ZINC001311346523 1069332703 /nfs/dbraw/zinc/33/27/03/1069332703.db2.gz QCHYRVQQXASQOB-NHCUHLMSSA-N 1 0 451.489 3.884 20 0 JHADRO CCC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001306631901 1069333220 /nfs/dbraw/zinc/33/32/20/1069333220.db2.gz VXBBEJKFWJUYRT-ZWKOTPCHSA-N 1 0 488.683 3.639 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)[NH+](C)C)cc1OC ZINC001311347605 1069334497 /nfs/dbraw/zinc/33/44/97/1069334497.db2.gz DNVNZLPAPGFUKY-KNKQGSTJSA-N 1 0 465.953 3.928 20 0 JHADRO COc1ccc([C@H](CNC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)[NH+](C)C)cc1OC ZINC001311349276 1069335623 /nfs/dbraw/zinc/33/56/23/1069335623.db2.gz MNMFBWPANMYRGG-NRFANRHFSA-N 1 0 451.567 3.957 20 0 JHADRO O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)NCCC[NH2+]C1CCCCC1 ZINC001306633399 1069336255 /nfs/dbraw/zinc/33/62/55/1069336255.db2.gz NQYFAPQSSOVFJI-SFHVURJKSA-N 1 0 455.386 3.627 20 0 JHADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC001311352065 1069338180 /nfs/dbraw/zinc/33/81/80/1069338180.db2.gz SUGFFICQIAXQII-QHCPKHFHSA-N 1 0 458.628 3.644 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001306635246 1069342046 /nfs/dbraw/zinc/34/20/46/1069342046.db2.gz OOOKMXPFIORPSX-UXHICEINSA-N 1 0 476.666 3.840 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)C1 ZINC001311358487 1069342700 /nfs/dbraw/zinc/34/27/00/1069342700.db2.gz BQQJSFRIQUGVRM-LVCYWYKZSA-N 1 0 455.018 3.614 20 0 JHADRO CCCCCN(c1nnc(C(=O)N2CCCC2)n1CC1([NH+]2CCCC2)CCOCC1)C(C)C ZINC001306637919 1069347541 /nfs/dbraw/zinc/34/75/41/1069347541.db2.gz OAUZLVZOFTZVEA-UHFFFAOYSA-N 1 0 460.667 3.564 20 0 JHADRO CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC001311372660 1069348759 /nfs/dbraw/zinc/34/87/59/1069348759.db2.gz LQPSVSYKHSFKOO-UHFFFAOYSA-N 1 0 456.425 3.615 20 0 JHADRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)C2)cc1 ZINC001311388517 1069357077 /nfs/dbraw/zinc/35/70/77/1069357077.db2.gz DNMBYFNUXGPPFS-QPPBQGQZSA-N 1 0 457.018 3.595 20 0 JHADRO CC[C@H](CNC(=O)N[C@H](c1nccn1C)c1ccc(F)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC001311393974 1069359983 /nfs/dbraw/zinc/35/99/83/1069359983.db2.gz DZUSCLUAPQIPJH-OFNKIYASSA-N 1 0 453.537 3.924 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21)C1CCCCC1 ZINC001311397725 1069361148 /nfs/dbraw/zinc/36/11/48/1069361148.db2.gz SSDONNYNMFJVOH-PXNSSMCTSA-N 1 0 454.537 3.879 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)C1 ZINC001311402584 1069362294 /nfs/dbraw/zinc/36/22/94/1069362294.db2.gz BKHWSOUDSLBHLI-HMFYCAOWSA-N 1 0 452.437 3.810 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1)c1ccsc1 ZINC001311403331 1069362843 /nfs/dbraw/zinc/36/28/43/1069362843.db2.gz WSOOCEPVJIEIBH-UXHICEINSA-N 1 0 459.616 3.749 20 0 JHADRO CC(C)(CNC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC001311405912 1069364738 /nfs/dbraw/zinc/36/47/38/1069364738.db2.gz QWSUHGADCSEAMF-IBGZPJMESA-N 1 0 454.537 3.790 20 0 JHADRO CN(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)c1ccccc1Cl ZINC001311421600 1069369394 /nfs/dbraw/zinc/36/93/94/1069369394.db2.gz CIJRIRSOALXVBA-ZEQRLZLVSA-N 1 0 458.050 3.621 20 0 JHADRO C[C@@H](O)C[C@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001311425365 1069374055 /nfs/dbraw/zinc/37/40/55/1069374055.db2.gz VTEBFKFOANVYIZ-WIYYLYMNSA-N 1 0 456.553 3.553 20 0 JHADRO C[NH+](C)C1(CNC(=O)NCCOc2ccc(I)cc2)CCCCCC1 ZINC001311434118 1069377504 /nfs/dbraw/zinc/37/75/04/1069377504.db2.gz MGABTZPUITXPAA-UHFFFAOYSA-N 1 0 459.372 3.624 20 0 JHADRO CSC1(CNC(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)CC[NH+](C)CC1 ZINC001311435038 1069378244 /nfs/dbraw/zinc/37/82/44/1069378244.db2.gz FOYGHEXNJPKZAU-UHFFFAOYSA-N 1 0 454.640 3.552 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001306660237 1069379253 /nfs/dbraw/zinc/37/92/53/1069379253.db2.gz WFFYKUXCOWWKTL-FGZHOGPDSA-N 1 0 460.667 3.527 20 0 JHADRO COC(=O)Nc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001311460788 1069388869 /nfs/dbraw/zinc/38/88/69/1069388869.db2.gz PTDMJAKZKTWLKX-IBGZPJMESA-N 1 0 450.461 3.957 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(C3CCC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001306665254 1069391758 /nfs/dbraw/zinc/39/17/58/1069391758.db2.gz MJJMIDAOWYTKIZ-OAQYLSRUSA-N 1 0 474.694 3.521 20 0 JHADRO CCCCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001306666647 1069394998 /nfs/dbraw/zinc/39/49/98/1069394998.db2.gz YSKPLCNDWBVYAK-UHFFFAOYSA-N 1 0 471.675 3.913 20 0 JHADRO CCCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001306669812 1069396851 /nfs/dbraw/zinc/39/68/51/1069396851.db2.gz SPYPUAXTSJAEPV-HXUWFJFHSA-N 1 0 461.676 3.953 20 0 JHADRO C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@@]2(C)Cc2cccc(Br)c2)CC1 ZINC001311479948 1069397220 /nfs/dbraw/zinc/39/72/20/1069397220.db2.gz GCFSAWLFBQQXIM-QFIPXVFZSA-N 1 0 451.453 3.582 20 0 JHADRO CCCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](C1CC1)[NH+](C)C ZINC001306670592 1069397462 /nfs/dbraw/zinc/39/74/62/1069397462.db2.gz FRPOMXAUHPSSLD-NRFANRHFSA-N 1 0 451.619 3.812 20 0 JHADRO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccccc1NS(C)(=O)=O ZINC001311493016 1069403716 /nfs/dbraw/zinc/40/37/16/1069403716.db2.gz IDRMWICWLBOKRP-OALUTQOASA-N 1 0 458.628 3.993 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2CCc2sc(C)nc2C)CC1 ZINC001306677954 1069402528 /nfs/dbraw/zinc/40/25/28/1069402528.db2.gz GOWRSWKXWTVWMV-UHFFFAOYSA-N 1 0 468.675 3.999 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NCCc3cc(C(F)(F)F)ccn3)cc2)C[C@@H](C)O1 ZINC001311493470 1069404149 /nfs/dbraw/zinc/40/41/49/1069404149.db2.gz ASGMJMQMQCOADQ-IAGOWNOFSA-N 1 0 450.505 3.752 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001306679394 1069404919 /nfs/dbraw/zinc/40/49/19/1069404919.db2.gz JFRVCDCEENSGMY-ICSRJNTNSA-N 1 0 483.642 3.685 20 0 JHADRO C[C@@H](NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC001311495355 1069405621 /nfs/dbraw/zinc/40/56/21/1069405621.db2.gz IZABQRPHBUPDLX-LJQANCHMSA-N 1 0 454.590 3.922 20 0 JHADRO CCCN(C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001311501363 1069410253 /nfs/dbraw/zinc/41/02/53/1069410253.db2.gz IHSBBDUTKSWRNY-PKTZIBPZSA-N 1 0 457.663 3.883 20 0 JHADRO CC(C)COc1ccc(C(C)(C)CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC001311501802 1069411024 /nfs/dbraw/zinc/41/10/24/1069411024.db2.gz TUOVWVKFBIXTJD-UHFFFAOYSA-N 1 0 453.631 3.645 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001306681881 1069411828 /nfs/dbraw/zinc/41/18/28/1069411828.db2.gz WJHPOGWCLOMPAX-UHFFFAOYSA-N 1 0 482.032 3.688 20 0 JHADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)cc2)C1 ZINC001311499531 1069408655 /nfs/dbraw/zinc/40/86/55/1069408655.db2.gz YUICGUHRNNPANY-JTSKRJEESA-N 1 0 456.537 3.801 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306680880 1069409194 /nfs/dbraw/zinc/40/91/94/1069409194.db2.gz VIYCBNOZGWNNHU-UHFFFAOYSA-N 1 0 497.688 3.574 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001306682651 1069414562 /nfs/dbraw/zinc/41/45/62/1069414562.db2.gz KPUFZZYZQXPQCB-ZWKOTPCHSA-N 1 0 451.930 3.584 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001306682780 1069414685 /nfs/dbraw/zinc/41/46/85/1069414685.db2.gz NOVJOSNIQJXIPB-AREMUKBSSA-N 1 0 454.663 3.937 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001306683654 1069418052 /nfs/dbraw/zinc/41/80/52/1069418052.db2.gz ZQPWHQZWIZWJKA-MBSDFSHPSA-N 1 0 492.462 3.824 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC001306683231 1069415977 /nfs/dbraw/zinc/41/59/77/1069415977.db2.gz PLFGZNJCDOIMSR-OAQYLSRUSA-N 1 0 469.609 3.535 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001306686188 1069422738 /nfs/dbraw/zinc/42/27/38/1069422738.db2.gz SEYBJYNJONSVTF-UTKZUKDTSA-N 1 0 466.001 3.884 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001306684782 1069420014 /nfs/dbraw/zinc/42/00/14/1069420014.db2.gz SRHOIKWMZUIDJN-UHFFFAOYSA-N 1 0 455.557 3.677 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001306685862 1069421446 /nfs/dbraw/zinc/42/14/46/1069421446.db2.gz MGZADSFWDXTDHU-JOCHJYFZSA-N 1 0 492.709 3.987 20 0 JHADRO CCCC[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001306686170 1069421874 /nfs/dbraw/zinc/42/18/74/1069421874.db2.gz BAXNLUDKFJUYBP-MRXNPFEDSA-N 1 0 472.581 3.780 20 0 JHADRO CN(C(=O)N[C@H](COc1ccccc1F)c1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001311526631 1069424043 /nfs/dbraw/zinc/42/40/43/1069424043.db2.gz XUXBZIBACKCSLU-ISKFKSNPSA-N 1 0 454.590 3.756 20 0 JHADRO CCC(CC)[C@H](CNC(=O)N[C@H](C)Cc1cc(Br)ccc1F)[NH+]1CCOCC1 ZINC001311535517 1069427877 /nfs/dbraw/zinc/42/78/77/1069427877.db2.gz TXGJUAZUOLYLDX-QRWLVFNGSA-N 1 0 458.416 3.955 20 0 JHADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCC(Oc3cccc(Br)c3)CC2)C[C@@H](C)O1 ZINC001311532070 1069425793 /nfs/dbraw/zinc/42/57/93/1069425793.db2.gz BBBMEYPHHNQUMI-IAGOWNOFSA-N 1 0 454.409 3.501 20 0 JHADRO C[C@@H]1C[NH+](CCCNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C[C@@H](C)O1 ZINC001311533276 1069426487 /nfs/dbraw/zinc/42/64/87/1069426487.db2.gz JRJINNTUMOWWJF-LZJOCLMNSA-N 1 0 457.537 3.972 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001306689422 1069426713 /nfs/dbraw/zinc/42/67/13/1069426713.db2.gz WRACPVWCQRDHHO-NRFANRHFSA-N 1 0 465.621 3.850 20 0 JHADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)cc1 ZINC001311538518 1069430264 /nfs/dbraw/zinc/43/02/64/1069430264.db2.gz MVHAPAHFPGAYAJ-OAQYLSRUSA-N 1 0 454.571 3.765 20 0 JHADRO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001306693130 1069430312 /nfs/dbraw/zinc/43/03/12/1069430312.db2.gz XHZYERHVRAYIPY-FQEVSTJZSA-N 1 0 465.646 3.939 20 0 JHADRO O=C(NCCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(Cl)cc1 ZINC001311539163 1069430836 /nfs/dbraw/zinc/43/08/36/1069430836.db2.gz YLCYMGLYAULXST-UHFFFAOYSA-N 1 0 455.002 3.768 20 0 JHADRO CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306700197 1069435610 /nfs/dbraw/zinc/43/56/10/1069435610.db2.gz FSDIDBILANKXQG-NHCUHLMSSA-N 1 0 458.626 3.962 20 0 JHADRO CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001306704192 1069440284 /nfs/dbraw/zinc/44/02/84/1069440284.db2.gz MMRFJDNXLCDDIN-QFIPXVFZSA-N 1 0 470.662 3.757 20 0 JHADRO CCCCn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001306706388 1069441472 /nfs/dbraw/zinc/44/14/72/1069441472.db2.gz OHEVPQLMJAZWJI-UHFFFAOYSA-N 1 0 451.619 3.643 20 0 JHADRO CC1CC[NH+]([C@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)c2cccs2)CC1 ZINC001311575804 1069445914 /nfs/dbraw/zinc/44/59/14/1069445914.db2.gz YLYPPBCRJDXBGT-FGZHOGPDSA-N 1 0 454.640 3.964 20 0 JHADRO CN(C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001311578166 1069446904 /nfs/dbraw/zinc/44/69/04/1069446904.db2.gz LISGRKHJTNBEMV-AHWVRZQESA-N 1 0 456.590 3.834 20 0 JHADRO CC[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001311577252 1069446956 /nfs/dbraw/zinc/44/69/56/1069446956.db2.gz SEJWNHNBOFFOBA-ZRBLBEILSA-N 1 0 456.656 3.864 20 0 JHADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC001311578366 1069447576 /nfs/dbraw/zinc/44/75/76/1069447576.db2.gz XOSOAZMXEFTRTO-SANMLTNESA-N 1 0 459.594 3.643 20 0 JHADRO O=C(NCc1ccnc(OC2CCOCC2)c1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001311580551 1069448213 /nfs/dbraw/zinc/44/82/13/1069448213.db2.gz MNXPTXRLPVYBRE-QFIPXVFZSA-N 1 0 458.990 3.929 20 0 JHADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCN(CCOc2ccccc2)CC1 ZINC001311581551 1069448854 /nfs/dbraw/zinc/44/88/54/1069448854.db2.gz RMHWJXBGICZHHY-XMMPIXPASA-N 1 0 457.018 3.883 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)CC1 ZINC001306722226 1069459615 /nfs/dbraw/zinc/45/96/15/1069459615.db2.gz IYJDZEZXTAJNQL-UNMCSNQZSA-N 1 0 486.636 3.880 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001306722455 1069460466 /nfs/dbraw/zinc/46/04/66/1069460466.db2.gz LNZMWAUZRGDKGZ-RXVVDRJESA-N 1 0 459.038 3.920 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001306722676 1069461041 /nfs/dbraw/zinc/46/10/41/1069461041.db2.gz KBWZEYAOGZAGPY-FGZHOGPDSA-N 1 0 452.647 4.000 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001306723509 1069463667 /nfs/dbraw/zinc/46/36/67/1069463667.db2.gz SRXINPPTCOBOMW-VAMGGRTRSA-N 1 0 465.664 3.759 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@@H]1C ZINC001306723762 1069464508 /nfs/dbraw/zinc/46/45/08/1069464508.db2.gz UZMSQDLJAOGGOK-WMZOPIPTSA-N 1 0 465.440 3.915 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001306724015 1069464583 /nfs/dbraw/zinc/46/45/83/1069464583.db2.gz XHJDPBQAOWBUBX-GUDVDZBRSA-N 1 0 459.664 3.580 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306725441 1069466417 /nfs/dbraw/zinc/46/64/17/1069466417.db2.gz DHVXMMZBARHAEY-YADHBBJMSA-N 1 0 469.630 3.531 20 0 JHADRO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001311614919 1069467153 /nfs/dbraw/zinc/46/71/53/1069467153.db2.gz YHEKSFJECMQCSG-UHFFFAOYSA-N 1 0 455.521 3.539 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001306725684 1069467259 /nfs/dbraw/zinc/46/72/59/1069467259.db2.gz GPTYOLUBLARRSO-BHIFYINESA-N 1 0 476.666 3.542 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc(F)cc1 ZINC001311617128 1069468791 /nfs/dbraw/zinc/46/87/91/1069468791.db2.gz FKNYMWHEAARZEU-PXNSSMCTSA-N 1 0 454.468 3.905 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306726829 1069470666 /nfs/dbraw/zinc/47/06/66/1069470666.db2.gz NTFBEYHEEMLHJF-DHIUTWEWSA-N 1 0 474.694 3.869 20 0 JHADRO COc1ccccc1[C@H](CNC(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1)[NH+]1CCCCC1 ZINC001311622485 1069472861 /nfs/dbraw/zinc/47/28/61/1069472861.db2.gz LORHLFAYEIPYPZ-UMFSSWHCSA-N 1 0 455.574 3.732 20 0 JHADRO COc1cc([C@H](C)NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)ccc1OCc1ccccc1 ZINC001311622825 1069473250 /nfs/dbraw/zinc/47/32/50/1069473250.db2.gz PNGAONMFPAOKBR-FQEVSTJZSA-N 1 0 455.599 3.870 20 0 JHADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC001311634462 1069480976 /nfs/dbraw/zinc/48/09/76/1069480976.db2.gz XROKFHXKMVKBGP-SANMLTNESA-N 1 0 450.627 3.632 20 0 JHADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)C1 ZINC001311633351 1069480507 /nfs/dbraw/zinc/48/05/07/1069480507.db2.gz JEERJDSEODXFQU-DEOSSOPVSA-N 1 0 452.599 3.890 20 0 JHADRO CCCN(C(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001311626720 1069476681 /nfs/dbraw/zinc/47/66/81/1069476681.db2.gz XXAOGFJYHGAXQL-UHFFFAOYSA-N 1 0 459.635 3.867 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001306731055 1069484483 /nfs/dbraw/zinc/48/44/83/1069484483.db2.gz OKGYZMKNMYSJHZ-DHIUTWEWSA-N 1 0 482.673 3.795 20 0 JHADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC001311640493 1069485297 /nfs/dbraw/zinc/48/52/97/1069485297.db2.gz OOUGMEXXFVCCOE-YLJYHZDGSA-N 1 0 450.421 3.766 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306731583 1069486307 /nfs/dbraw/zinc/48/63/07/1069486307.db2.gz QXPWRGCWUNGABP-PCCBWWKXSA-N 1 0 476.666 3.888 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1C(C)(C)C ZINC001306731641 1069486996 /nfs/dbraw/zinc/48/69/96/1069486996.db2.gz SAILLXBIFULTOU-QFIPXVFZSA-N 1 0 468.694 3.964 20 0 JHADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC001311670174 1069496819 /nfs/dbraw/zinc/49/68/19/1069496819.db2.gz RTXCERJXBLXCES-UHFFFAOYSA-N 1 0 455.002 3.606 20 0 JHADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC1(c2ncc(Br)cn2)CCC1 ZINC001311669787 1069496845 /nfs/dbraw/zinc/49/68/45/1069496845.db2.gz MEDIHWUSJNPUHC-UHFFFAOYSA-N 1 0 458.404 3.830 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001306734550 1069496989 /nfs/dbraw/zinc/49/69/89/1069496989.db2.gz DHHKSRVQZFMWLM-KNQAVFIVSA-N 1 0 456.610 3.557 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCO3)n2CC2CC[NH+](CCC)CC2)C1 ZINC001306737098 1069505306 /nfs/dbraw/zinc/50/53/06/1069505306.db2.gz VXBJYYARTCTQCV-YMPZKCBVSA-N 1 0 474.694 3.773 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001306736429 1069503291 /nfs/dbraw/zinc/50/32/91/1069503291.db2.gz KRCNIZACLMTQKN-QFIPXVFZSA-N 1 0 452.647 3.952 20 0 JHADRO Cc1cccc(NC(=O)COc2ccc(CCNC(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)cc2)c1 ZINC001311689536 1069504250 /nfs/dbraw/zinc/50/42/50/1069504250.db2.gz POGBMOFHPRBDEV-GOTSBHOMSA-N 1 0 452.599 3.727 20 0 JHADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)C1 ZINC001311693118 1069506252 /nfs/dbraw/zinc/50/62/52/1069506252.db2.gz DENXHQBNRORBFT-DFQSSKMNSA-N 1 0 468.564 3.743 20 0 JHADRO Cc1cccc(NC(=O)COc2ccc(CCNC(=O)NC[C@H]3CCCC[N@@H+](C)C3)cc2)c1 ZINC001311692856 1069506298 /nfs/dbraw/zinc/50/62/98/1069506298.db2.gz ZABJSPCATSIGGL-JOCHJYFZSA-N 1 0 452.599 3.586 20 0 JHADRO Cc1ccc(C[C@@H](CO)CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001311693737 1069506685 /nfs/dbraw/zinc/50/66/85/1069506685.db2.gz NCKJTXUHWREXOC-VQIMIIECSA-N 1 0 454.453 3.718 20 0 JHADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)C1 ZINC001311693119 1069506712 /nfs/dbraw/zinc/50/67/12/1069506712.db2.gz DENXHQBNRORBFT-MISYRCLQSA-N 1 0 468.564 3.743 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001306739709 1069512312 /nfs/dbraw/zinc/51/23/12/1069512312.db2.gz DDZWLGBOHDTCCN-HXUWFJFHSA-N 1 0 455.651 3.528 20 0 JHADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC001311711809 1069514109 /nfs/dbraw/zinc/51/41/09/1069514109.db2.gz FQYDSOGEQVPZKN-CTUHWIOQSA-N 1 0 457.018 3.536 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306743057 1069521392 /nfs/dbraw/zinc/52/13/92/1069521392.db2.gz XDUDFXZPCLDXFJ-OAQYLSRUSA-N 1 0 482.673 3.818 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001306746310 1069530806 /nfs/dbraw/zinc/53/08/06/1069530806.db2.gz HDAQKGPRPDKVEQ-RCGHHBJUSA-N 1 0 471.646 3.680 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001306746825 1069533108 /nfs/dbraw/zinc/53/31/08/1069533108.db2.gz STYWYEIRQPKSIH-MBEZDYHHSA-N 1 0 495.716 3.907 20 0 JHADRO NC(=O)[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)Cc1ccccc1Cl ZINC001311765339 1069538211 /nfs/dbraw/zinc/53/82/11/1069538211.db2.gz MLNCETJERXTYJS-JOCHJYFZSA-N 1 0 457.018 3.859 20 0 JHADRO COc1ccc(C[NH+]2CCC(CNC(=O)N3CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C3)CC2)cc1 ZINC001311758809 1069535365 /nfs/dbraw/zinc/53/53/65/1069535365.db2.gz PUQPEURIXCSUMY-WMZHIEFXSA-N 1 0 459.631 3.917 20 0 JHADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001311761095 1069536326 /nfs/dbraw/zinc/53/63/26/1069536326.db2.gz IYCCGUCZTAAJGK-MJGOQNOKSA-N 1 0 450.649 3.905 20 0 JHADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001311761093 1069536396 /nfs/dbraw/zinc/53/63/96/1069536396.db2.gz IYCCGUCZTAAJGK-HKUYNNGSSA-N 1 0 450.649 3.905 20 0 JHADRO Cc1c([C@H](C)NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cnn1-c1ccc(F)cc1 ZINC001311780364 1069543364 /nfs/dbraw/zinc/54/33/64/1069543364.db2.gz WXQCEXWKSPYBMQ-IBGZPJMESA-N 1 0 456.610 3.581 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CC2(O)CC2)cc1OC ZINC001306748757 1069539279 /nfs/dbraw/zinc/53/92/79/1069539279.db2.gz LYCJGBFBGMTINJ-RTBURBONSA-N 1 0 457.619 3.576 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001306749013 1069540212 /nfs/dbraw/zinc/54/02/12/1069540212.db2.gz NYIVNWBFJITCRC-IFMALSPDSA-N 1 0 460.667 3.527 20 0 JHADRO C[C@@H](CNC(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)[N@@H+]1CCc2ccccc2C1 ZINC001311796156 1069549273 /nfs/dbraw/zinc/54/92/73/1069549273.db2.gz RIFXUAATTRNJQO-IATMXGELSA-N 1 0 456.631 3.912 20 0 JHADRO Cc1ccc([C@@H](CNC(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)[NH+]2CCCC2)o1 ZINC001311808448 1069553829 /nfs/dbraw/zinc/55/38/29/1069553829.db2.gz DEGVBMJFLUIYFL-MRXNPFEDSA-N 1 0 451.470 3.897 20 0 JHADRO C[C@H](NC(=O)N1CCN(c2cccc(F)c2)C[C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819215 1069559138 /nfs/dbraw/zinc/55/91/38/1069559138.db2.gz GZMILNVRGPGCCI-MOPGFXCFSA-N 1 0 457.569 3.698 20 0 JHADRO CCCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001306759025 1069558030 /nfs/dbraw/zinc/55/80/30/1069558030.db2.gz QEYXHXJKMFVKNQ-RTWAWAEBSA-N 1 0 495.672 3.972 20 0 JHADRO CCC[NH+]1CCC(CNC(=O)N2CCC(Cc3nc(C)c(C(=O)OCC)s3)CC2)CC1 ZINC001311817580 1069558143 /nfs/dbraw/zinc/55/81/43/1069558143.db2.gz VYBFZPZLMJNNRO-UHFFFAOYSA-N 1 0 450.649 3.714 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001311820896 1069560265 /nfs/dbraw/zinc/56/02/65/1069560265.db2.gz ATDGJAPCOADKFJ-OFNKIYASSA-N 1 0 454.590 3.682 20 0 JHADRO CCCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001306760563 1069560551 /nfs/dbraw/zinc/56/05/51/1069560551.db2.gz FEUUTXKIVACOIJ-IRXDYDNUSA-N 1 0 467.456 3.782 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NC[C@@H](OC)c2cccc(OC)c2)CC1 ZINC001311821251 1069560914 /nfs/dbraw/zinc/56/09/14/1069560914.db2.gz BSACZESGKFRMJU-MHECFPHRSA-N 1 0 458.578 3.724 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CCOc3ccc(OC)cc3C2)CC1 ZINC001311822562 1069561663 /nfs/dbraw/zinc/56/16/63/1069561663.db2.gz OKKKHIWVSZXEIP-SFHVURJKSA-N 1 0 456.562 3.641 20 0 JHADRO COc1cccc2c1CCC[C@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)C2 ZINC001311825127 1069562938 /nfs/dbraw/zinc/56/29/38/1069562938.db2.gz ZIVKWRQNTRJRTF-RXVVDRJESA-N 1 0 454.590 3.894 20 0 JHADRO CCCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001306763798 1069565025 /nfs/dbraw/zinc/56/50/25/1069565025.db2.gz RCNYRMUJDJQBJE-UHFFFAOYSA-N 1 0 465.440 3.537 20 0 JHADRO O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001311834010 1069570176 /nfs/dbraw/zinc/57/01/76/1069570176.db2.gz AZXDQSBEJNPKSU-NRFANRHFSA-N 1 0 456.612 3.694 20 0 JHADRO CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001306773733 1069571383 /nfs/dbraw/zinc/57/13/83/1069571383.db2.gz AYIQEUPJEKGNEZ-RTBURBONSA-N 1 0 478.663 3.797 20 0 JHADRO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306777284 1069573311 /nfs/dbraw/zinc/57/33/11/1069573311.db2.gz ZUQSBRKKRLBZJZ-ZYLNGJIFSA-N 1 0 478.682 3.943 20 0 JHADRO 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CCOc1cc(Cn2c(-c3cccnc3)nnc2N2CC[NH+](C(C)C)CC2)ccc1OC(F)F ZINC001314159920 1069642375 /nfs/dbraw/zinc/64/23/75/1069642375.db2.gz JZDQOIZVQXDGFK-UHFFFAOYSA-N 1 0 472.540 3.919 20 0 JHADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001311982943 1069649620 /nfs/dbraw/zinc/64/96/20/1069649620.db2.gz UENMERAPWLDIKE-PXNSSMCTSA-N 1 0 452.546 3.593 20 0 JHADRO CCOc1cc(C)nc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)CC2)n1 ZINC001314162087 1069650000 /nfs/dbraw/zinc/65/00/00/1069650000.db2.gz RYPQHWCIGNCTOU-QFIPXVFZSA-N 1 0 498.720 3.811 20 0 JHADRO C[C@@H](CNC(=O)NCCCCSc1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC001311975329 1069646552 /nfs/dbraw/zinc/64/65/52/1069646552.db2.gz IYYUIUBAMYRLQO-KRWDZBQOSA-N 1 0 457.482 3.504 20 0 JHADRO C[N@H+](CCNC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)Cc1ccc(F)cc1 ZINC001311988605 1069652204 /nfs/dbraw/zinc/65/22/04/1069652204.db2.gz BNZWWINGZWWVKQ-SFHVURJKSA-N 1 0 454.468 3.734 20 0 JHADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cccnc3I)C2)s1 ZINC001306839524 1069653126 /nfs/dbraw/zinc/65/31/26/1069653126.db2.gz SCAZMNZLMCSEIT-AWEZNQCLSA-N 1 0 455.365 3.650 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CC[N@@H+]2CCCC[C@@H]2CC)cc1OC ZINC001314163088 1069654143 /nfs/dbraw/zinc/65/41/43/1069654143.db2.gz DFEVRTQBBZGNIV-LEWJYISDSA-N 1 0 457.619 3.842 20 0 JHADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001311993595 1069656201 /nfs/dbraw/zinc/65/62/01/1069656201.db2.gz KKYFAODBFGJVNI-OALUTQOASA-N 1 0 456.509 3.590 20 0 JHADRO CC(C)(C)OC(=O)NC1(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001311992926 1069655420 /nfs/dbraw/zinc/65/54/20/1069655420.db2.gz DLJSPOAGBOZULS-QGZVFWFLSA-N 1 0 456.509 3.636 20 0 JHADRO C[C@](CO)(Cc1ccccc1F)NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001311992895 1069655457 /nfs/dbraw/zinc/65/54/57/1069655457.db2.gz CXBQQIXAMRFMAJ-DENIHFKCSA-N 1 0 453.480 3.712 20 0 JHADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2(OCCO)CCC(C(F)F)CC2)CC1 ZINC001311996715 1069658060 /nfs/dbraw/zinc/65/80/60/1069658060.db2.gz ILQGCFFREXTPLW-NWKXHEKXSA-N 1 0 453.574 3.714 20 0 JHADRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)Nc3cc(N4CCOCC4)c(Br)cn3)c2)C1 ZINC001306857284 1069662898 /nfs/dbraw/zinc/66/28/98/1069662898.db2.gz HBRGQMOJEBHHDA-GOSISDBHSA-N 1 0 459.388 3.742 20 0 JHADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001312007616 1069665257 /nfs/dbraw/zinc/66/52/57/1069665257.db2.gz FFOHRZMDDLEVLY-AZUAARDMSA-N 1 0 454.537 3.920 20 0 JHADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001312007620 1069665268 /nfs/dbraw/zinc/66/52/68/1069665268.db2.gz FFOHRZMDDLEVLY-QUCCMNQESA-N 1 0 454.537 3.920 20 0 JHADRO COc1cc([C@@H](C)NC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)ccc1S(C)(=O)=O ZINC001312011332 1069668207 /nfs/dbraw/zinc/66/82/07/1069668207.db2.gz HQFKKTZQUVRDAZ-WIYYLYMNSA-N 1 0 459.612 3.686 20 0 JHADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)N[C@@H](CO)CC2CCCCC2)CC1 ZINC001312024741 1069678238 /nfs/dbraw/zinc/67/82/38/1069678238.db2.gz IRWDQRKUUFHPRT-HXUWFJFHSA-N 1 0 456.553 3.588 20 0 JHADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H]1c1ccccc1 ZINC001306898328 1069678340 /nfs/dbraw/zinc/67/83/40/1069678340.db2.gz ZOAPTTCRWHMVHY-RDGPPVDQSA-N 1 0 455.521 3.984 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H](COC)C3)n2CC[NH+]2CCC(C)CC2)cc1OC ZINC001314170693 1069682365 /nfs/dbraw/zinc/68/23/65/1069682365.db2.gz SHHALNBHZNWBFS-FQEVSTJZSA-N 1 0 457.619 3.557 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC)CC1 ZINC001307004320 1069698991 /nfs/dbraw/zinc/69/89/91/1069698991.db2.gz BBIZWNOHNQSXLX-UHFFFAOYSA-N 1 0 463.026 3.999 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001307004561 1069699824 /nfs/dbraw/zinc/69/98/24/1069699824.db2.gz DPEKPTNUYYGNIZ-WOJBJXKFSA-N 1 0 474.053 3.753 20 0 JHADRO CCC[NH+](CCC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)=C(Br)C1 ZINC001307004728 1069700116 /nfs/dbraw/zinc/70/01/16/1069700116.db2.gz IJJUSWNNMCIRPM-GOSISDBHSA-N 1 0 467.456 3.620 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@@H](C(=O)NC)C3)n2CCCc2cccc(C)n2)cc1OC ZINC001314175151 1069700412 /nfs/dbraw/zinc/70/04/12/1069700412.db2.gz XAMRPGXJPJACFU-OAQYLSRUSA-N 1 0 492.624 3.651 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001307005668 1069701570 /nfs/dbraw/zinc/70/15/70/1069701570.db2.gz ZFBRLYIGNMRBGM-INIZCTEOSA-N 1 0 497.507 3.948 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(C(=O)OC)CC3)n2CC[NH+]2CCCCCC2)cc1OC ZINC001314175779 1069703992 /nfs/dbraw/zinc/70/39/92/1069703992.db2.gz QIHAXPOQKNROEZ-UHFFFAOYSA-N 1 0 485.629 3.618 20 0 JHADRO C[NH+](C)C[C@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC001312069372 1069704120 /nfs/dbraw/zinc/70/41/20/1069704120.db2.gz STZOZLKJZQOZIA-MSOLQXFVSA-N 1 0 458.525 3.911 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H](OC)C3)n2CC[N@H+](C)C2CCCCC2)cc1OC ZINC001314177049 1069709834 /nfs/dbraw/zinc/70/98/34/1069709834.db2.gz BJYHPQQLSUAAKY-OAQYLSRUSA-N 1 0 457.619 3.842 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC001314177567 1069711792 /nfs/dbraw/zinc/71/17/92/1069711792.db2.gz FMVVUEKORDYOMI-SBHAEUEKSA-N 1 0 475.609 3.648 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2C[C@](C)(O)c2cccs2)cc1OC ZINC001314179350 1069718779 /nfs/dbraw/zinc/71/87/79/1069718779.db2.gz LHPNVZHJAQFRPO-CJAUYULYSA-N 1 0 485.654 3.852 20 0 JHADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC001312109986 1069725078 /nfs/dbraw/zinc/72/50/78/1069725078.db2.gz DFRBBWRBXIQFME-UHFFFAOYSA-N 1 0 452.448 3.670 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H](CC)c3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001307031122 1069740722 /nfs/dbraw/zinc/74/07/22/1069740722.db2.gz CTYVQQSLJIGPNQ-GOTSBHOMSA-N 1 0 473.687 3.565 20 0 JHADRO CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC001314187615 1069743058 /nfs/dbraw/zinc/74/30/58/1069743058.db2.gz OYTCQVFYSDGINJ-SFHVURJKSA-N 1 0 455.628 3.916 20 0 JHADRO C[NH+]1CCC2(CCCN2C(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001312135911 1069741382 /nfs/dbraw/zinc/74/13/82/1069741382.db2.gz YLTUOGARSPJASP-QFIPXVFZSA-N 1 0 459.587 3.588 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@H](C)O[C@H](COC)C2)C1 ZINC001307031670 1069741622 /nfs/dbraw/zinc/74/16/22/1069741622.db2.gz MTMXNRDQESQMRM-BJLQDIEVSA-N 1 0 478.037 3.579 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCS(=O)CC2)C1 ZINC001307031675 1069742278 /nfs/dbraw/zinc/74/22/78/1069742278.db2.gz MTXMPETXHQPQMX-HNNXBMFYSA-N 1 0 456.443 3.553 20 0 JHADRO CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1OC ZINC001314188559 1069744677 /nfs/dbraw/zinc/74/46/77/1069744677.db2.gz JSEFMFAKBUQVCN-OAQYLSRUSA-N 1 0 471.646 3.796 20 0 JHADRO CCOc1ccc(CN2CCN(c3nnc([C@H](C)CC)n3C[C@@H]3CCC[N@@H+]3CC)CC2)cc1 ZINC001314189282 1069747145 /nfs/dbraw/zinc/74/71/45/1069747145.db2.gz RJVWDZRDBQOGFE-GGAORHGYSA-N 1 0 454.663 3.997 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001307033148 1069747459 /nfs/dbraw/zinc/74/74/59/1069747459.db2.gz IQLPDNNTUJHTDJ-IBGZPJMESA-N 1 0 457.619 3.521 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001307034851 1069752260 /nfs/dbraw/zinc/75/22/60/1069752260.db2.gz QXLFXHNOAVZMMO-KRWDZBQOSA-N 1 0 478.588 3.629 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001307033937 1069748798 /nfs/dbraw/zinc/74/87/98/1069748798.db2.gz FYVAFDAYKIXPLZ-LEWJYISDSA-N 1 0 483.661 3.826 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@@](C)(O)C2CC2)cc1 ZINC001314192019 1069754932 /nfs/dbraw/zinc/75/49/32/1069754932.db2.gz RQWUGKJVLWLAAM-FDDOMMOESA-N 1 0 471.646 3.897 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccn3C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001307036104 1069755293 /nfs/dbraw/zinc/75/52/93/1069755293.db2.gz YQKWKKSISXHMLP-IBGZPJMESA-N 1 0 468.568 3.953 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCC[C@H](C(=O)OC)C2)C1 ZINC001307037619 1069759187 /nfs/dbraw/zinc/75/91/87/1069759187.db2.gz CZWRLCSMQAZAOC-ROUUACIJSA-N 1 0 490.446 3.829 20 0 JHADRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)CC1 ZINC001312164820 1069759999 /nfs/dbraw/zinc/75/99/99/1069759999.db2.gz FMNJQHODJSEWHA-LJQANCHMSA-N 1 0 450.027 3.853 20 0 JHADRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)CC1 ZINC001312165282 1069760642 /nfs/dbraw/zinc/76/06/42/1069760642.db2.gz IIBPUSIEQGCFAV-UHFFFAOYSA-N 1 0 453.002 3.705 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCCN(C(=O)CC3CCCC3)CC2)C1 ZINC001307039318 1069763684 /nfs/dbraw/zinc/76/36/84/1069763684.db2.gz UTOBPBUZIKEYOY-QHCPKHFHSA-N 1 0 458.695 3.828 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC)nnc2N2CCC(NC(=O)c3ccccc3C)CC2)CC1 ZINC001307038497 1069761265 /nfs/dbraw/zinc/76/12/65/1069761265.db2.gz GDZNHOROMPQXGH-UHFFFAOYSA-N 1 0 452.647 3.670 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 ZINC001307038547 1069761309 /nfs/dbraw/zinc/76/13/09/1069761309.db2.gz HHETUEZTNCAUFF-RBBKRZOGSA-N 1 0 487.092 3.947 20 0 JHADRO C[NH+](C)[C@]1(CNC(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCSC1 ZINC001312168759 1069762595 /nfs/dbraw/zinc/76/25/95/1069762595.db2.gz PZPCUQVMSWWIAG-YDHSSHFGSA-N 1 0 454.681 3.635 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC)nnc2N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC001307039050 1069762784 /nfs/dbraw/zinc/76/27/84/1069762784.db2.gz OOQLPBLJPPUFFS-UHFFFAOYSA-N 1 0 471.625 3.892 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001307039154 1069762817 /nfs/dbraw/zinc/76/28/17/1069762817.db2.gz RNUGJPJHFSIKMF-ICSRJNTNSA-N 1 0 482.570 3.813 20 0 JHADRO C[NH+](C)[C@]1(CNC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)CCSC1 ZINC001312169903 1069763129 /nfs/dbraw/zinc/76/31/29/1069763129.db2.gz VOFCKWLWNGIHTQ-FQEVSTJZSA-N 1 0 456.450 3.577 20 0 JHADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@]3(CCCc4ccccc43)C2)CC1 ZINC001312170883 1069764427 /nfs/dbraw/zinc/76/44/27/1069764427.db2.gz DOQWMINYKBHDGE-HHHXNRCGSA-N 1 0 454.659 3.693 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3C)nnc2N2CCC(CCC(N)=O)CC2)CC1 ZINC001307039686 1069764929 /nfs/dbraw/zinc/76/49/29/1069764929.db2.gz RRIVUJCQMQYNRN-UHFFFAOYSA-N 1 0 452.647 3.857 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001307040147 1069766051 /nfs/dbraw/zinc/76/60/51/1069766051.db2.gz JYWCCJNCQQHQGR-QHCPKHFHSA-N 1 0 481.689 3.517 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)C1 ZINC001307041457 1069769244 /nfs/dbraw/zinc/76/92/44/1069769244.db2.gz JKHZSQWFDZHKIX-IRFCIJBXSA-N 1 0 481.563 3.788 20 0 JHADRO CC(C)[NH+](CCCNC(=O)N1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1)C(C)C ZINC001312182828 1069769594 /nfs/dbraw/zinc/76/95/94/1069769594.db2.gz VVWRJKYPDCRAAR-FQEVSTJZSA-N 1 0 454.656 3.601 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001307042241 1069771573 /nfs/dbraw/zinc/77/15/73/1069771573.db2.gz YVNUECOBXSXCGH-KRWDZBQOSA-N 1 0 460.001 3.763 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001307042159 1069771608 /nfs/dbraw/zinc/77/16/08/1069771608.db2.gz IPEUAPNJCAIDLE-QFIPXVFZSA-N 1 0 476.666 3.556 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CC(=O)N(C)CC)cc1 ZINC001314195713 1069771834 /nfs/dbraw/zinc/77/18/34/1069771834.db2.gz FROVRUHVKHFLJP-OAQYLSRUSA-N 1 0 498.672 3.750 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2cc(F)ccc2F)C1 ZINC001307042818 1069772839 /nfs/dbraw/zinc/77/28/39/1069772839.db2.gz VHYSWQSNFMEYFN-MSOLQXFVSA-N 1 0 460.573 3.608 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001307044928 1069779557 /nfs/dbraw/zinc/77/95/57/1069779557.db2.gz ASUNKTNUZLYZAR-GAJHUEQPSA-N 1 0 492.462 3.558 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCC(CC(F)(F)F)CC3)nnc2[C@]2(OCC)CCOC2)C1 ZINC001307044772 1069779573 /nfs/dbraw/zinc/77/95/73/1069779573.db2.gz BMKUXUCLVQNQND-KNQAVFIVSA-N 1 0 473.584 3.831 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)S[C@H](C)C2)C1 ZINC001307043785 1069775883 /nfs/dbraw/zinc/77/58/83/1069775883.db2.gz BHDFMHIGQMZMEN-AQNXPRMDSA-N 1 0 459.660 3.928 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(SC)c(OC)c2)CC1 ZINC001307043856 1069776364 /nfs/dbraw/zinc/77/63/64/1069776364.db2.gz UIUTXNJIIFIPLK-HXUWFJFHSA-N 1 0 486.686 3.718 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)C1 ZINC001307044017 1069776511 /nfs/dbraw/zinc/77/65/11/1069776511.db2.gz OBMMMKVWQMTDIG-FCHUYYIVSA-N 1 0 490.693 3.597 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C3CCCC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001307044179 1069777147 /nfs/dbraw/zinc/77/71/47/1069777147.db2.gz WSJXQGGHDDKYBL-JOCHJYFZSA-N 1 0 490.693 3.788 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001307044309 1069777181 /nfs/dbraw/zinc/77/71/81/1069777181.db2.gz PMMAKAOXMKMLPG-UGKGYDQZSA-N 1 0 489.686 3.505 20 0 JHADRO COc1ccc([C@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c(OC)c1 ZINC001312203089 1069778210 /nfs/dbraw/zinc/77/82/10/1069778210.db2.gz BWUJQAHKDHAZPX-XMMPIXPASA-N 1 0 453.583 3.707 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCOC[C@@H]2C)C1 ZINC001307044617 1069778927 /nfs/dbraw/zinc/77/89/27/1069778927.db2.gz HADUUVPIECHKRF-ROUUACIJSA-N 1 0 478.435 3.577 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001307044655 1069778946 /nfs/dbraw/zinc/77/89/46/1069778946.db2.gz HXZLKYMUVLUCHG-NHCUHLMSSA-N 1 0 478.682 3.630 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2C[C@@H](C)OC)cc1 ZINC001314197194 1069779133 /nfs/dbraw/zinc/77/91/33/1069779133.db2.gz KLELOHZEBYINBR-HBMCJLEFSA-N 1 0 487.645 3.541 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001314198485 1069783269 /nfs/dbraw/zinc/78/32/69/1069783269.db2.gz NICDIZXZYWHKDG-BHIFYINESA-N 1 0 498.672 3.748 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1[C@H](O)c1ccccc1 ZINC001312205101 1069780212 /nfs/dbraw/zinc/78/02/12/1069780212.db2.gz VBEJDARJXHRELP-IZZNHLLZSA-N 1 0 451.611 3.965 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC001312205525 1069780862 /nfs/dbraw/zinc/78/08/62/1069780862.db2.gz WESJRDZKJLVSLK-VWLOTQADSA-N 1 0 455.574 3.980 20 0 JHADRO CCOc1ccc2c(c1)CN(c1nnc(CC(C)C)n1CC1CC[NH+](CCN(C)C)CC1)CC2 ZINC001314197848 1069781563 /nfs/dbraw/zinc/78/15/63/1069781563.db2.gz DYNCDBCWGDLXPQ-UHFFFAOYSA-N 1 0 468.690 3.712 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C)o3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001307045290 1069781641 /nfs/dbraw/zinc/78/16/41/1069781641.db2.gz HMGMAXJYGQIVPI-HXUWFJFHSA-N 1 0 480.604 3.513 20 0 JHADRO O=C(NCCc1c(F)cccc1Cl)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001312212500 1069785172 /nfs/dbraw/zinc/78/51/72/1069785172.db2.gz GSILSDFWHHZAFC-LJQANCHMSA-N 1 0 459.997 3.660 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001307047014 1069787465 /nfs/dbraw/zinc/78/74/65/1069787465.db2.gz PVWMXWDDYGSOAT-AQNXPRMDSA-N 1 0 459.660 3.925 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N3CCC[C@@H](C(F)F)C3)nnc2[C@]2(OCC)CCOC2)CC1 ZINC001307047157 1069788287 /nfs/dbraw/zinc/78/82/87/1069788287.db2.gz QJSLANCQDZKTTD-XXBNENTESA-N 1 0 455.594 3.534 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccc(Br)cc3)nnc2N2CCCOCC2)CC1 ZINC001307047265 1069788296 /nfs/dbraw/zinc/78/82/96/1069788296.db2.gz XGLSBBRNZXHFGX-UHFFFAOYSA-N 1 0 492.462 3.968 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)C1 ZINC001307047437 1069789815 /nfs/dbraw/zinc/78/98/15/1069789815.db2.gz ZUWUMGAGZUDRDQ-PKTZIBPZSA-N 1 0 484.714 3.915 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2CCc2cc(C)ccc2OC)CC1 ZINC001307048491 1069794114 /nfs/dbraw/zinc/79/41/14/1069794114.db2.gz CNCHQOKTBVELBR-UHFFFAOYSA-N 1 0 491.640 3.796 20 0 JHADRO CO[C@@H](CNC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1Cl ZINC001312236837 1069798479 /nfs/dbraw/zinc/79/84/79/1069798479.db2.gz OIHKZSZKXKZFHL-URXFXBBRSA-N 1 0 457.018 3.629 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(C)(C)C)n2Cc2cccnc2OCC(F)F)CC1 ZINC001307049803 1069798807 /nfs/dbraw/zinc/79/88/07/1069798807.db2.gz ROIPYNLZDXFMPT-UHFFFAOYSA-N 1 0 450.578 3.973 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3Br)n2CC2([S@](C)=O)CC2)CC1 ZINC001307048928 1069795376 /nfs/dbraw/zinc/79/53/76/1069795376.db2.gz CINBZNMQHHTLJF-PMERELPUSA-N 1 0 494.503 3.929 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2Cc2ccc(OC)cc2F)CC1 ZINC001307048844 1069795574 /nfs/dbraw/zinc/79/55/74/1069795574.db2.gz ZUQYEYIDDXXPGF-UHFFFAOYSA-N 1 0 452.578 3.771 20 0 JHADRO CCOc1ccc2c(c1)CN(c1nnc(C(=O)NC(CC)CC)n1CC[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC001314201487 1069796633 /nfs/dbraw/zinc/79/66/33/1069796633.db2.gz RUCFQBNGELWVMS-HXUWFJFHSA-N 1 0 482.673 3.890 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001307049118 1069796704 /nfs/dbraw/zinc/79/67/04/1069796704.db2.gz HVUJUNWSLRWVHD-QGZVFWFLSA-N 1 0 461.561 3.671 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3Br)n2CC[S@](=O)CC)CC1 ZINC001307049427 1069797427 /nfs/dbraw/zinc/79/74/27/1069797427.db2.gz KPBZLJJPPSKOTE-GDLZYMKVSA-N 1 0 482.492 3.787 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3Br)n2Cc2ccn(C)n2)CC1 ZINC001307049439 1069797554 /nfs/dbraw/zinc/79/75/54/1069797554.db2.gz KWILKERLNNZQJD-UHFFFAOYSA-N 1 0 472.435 3.800 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@H](c4nc(C)no4)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001314201789 1069797734 /nfs/dbraw/zinc/79/77/34/1069797734.db2.gz OUYCTKUXGGEPJQ-GGPKGHCWSA-N 1 0 483.617 3.842 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001307051140 1069803005 /nfs/dbraw/zinc/80/30/05/1069803005.db2.gz XYPTTZRYINLCGF-LEWJYISDSA-N 1 0 468.646 3.624 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC2(OC)CCCCC2)CC1 ZINC001307051176 1069803598 /nfs/dbraw/zinc/80/35/98/1069803598.db2.gz KIPFDGWSVHPVQM-UNMCSNQZSA-N 1 0 463.667 3.662 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)c2ccccc2)CC1 ZINC001307052625 1069809167 /nfs/dbraw/zinc/80/91/67/1069809167.db2.gz AOMLMGZVWJJRML-XMMPIXPASA-N 1 0 465.646 3.838 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](c4nccs4)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001314203524 1069808173 /nfs/dbraw/zinc/80/81/73/1069808173.db2.gz QILQNUWJEUDAFG-OPYAIIAOSA-N 1 0 486.642 3.801 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001307052637 1069809401 /nfs/dbraw/zinc/80/94/01/1069809401.db2.gz BCBSVRQPLHFSKT-UHFFFAOYSA-N 1 0 487.718 3.783 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001307053759 1069813332 /nfs/dbraw/zinc/81/33/32/1069813332.db2.gz QTMXZNSLZOHTAR-UHFFFAOYSA-N 1 0 495.697 3.603 20 0 JHADRO CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)C2)nc1C ZINC001312256354 1069813935 /nfs/dbraw/zinc/81/39/35/1069813935.db2.gz VJRBBWOBCPUZPU-NSISKUIASA-N 1 0 456.612 3.790 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307053978 1069814752 /nfs/dbraw/zinc/81/47/52/1069814752.db2.gz JOQLTNMJMOZCOU-XMMPIXPASA-N 1 0 495.672 3.517 20 0 JHADRO CCOc1cccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001314205510 1069815517 /nfs/dbraw/zinc/81/55/17/1069815517.db2.gz AJVRHDCYPGNIGQ-UHFFFAOYSA-N 1 0 496.681 3.832 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001307055391 1069820217 /nfs/dbraw/zinc/82/02/17/1069820217.db2.gz PGPPZGKXAISHKI-BHDDXSALSA-N 1 0 498.672 3.748 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](COC)C1 ZINC001307055442 1069821180 /nfs/dbraw/zinc/82/11/80/1069821180.db2.gz PWCSWCIFLCISBR-IEBWSBKVSA-N 1 0 479.467 3.783 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001312266195 1069824374 /nfs/dbraw/zinc/82/43/74/1069824374.db2.gz PZDSVUBDJHPJIA-FQEVSTJZSA-N 1 0 451.453 3.833 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3CCCCC3)CC2)n1 ZINC001314208599 1069825365 /nfs/dbraw/zinc/82/53/65/1069825365.db2.gz MYIMSISBQFVDKF-UHFFFAOYSA-N 1 0 469.678 3.863 20 0 JHADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC001312274037 1069828974 /nfs/dbraw/zinc/82/89/74/1069828974.db2.gz CRXASEBXZWOIFK-LSDHHAIUSA-N 1 0 450.381 3.837 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001307056895 1069831123 /nfs/dbraw/zinc/83/11/23/1069831123.db2.gz CVBWZXRFOSRBRC-DHIUTWEWSA-N 1 0 497.688 3.879 20 0 JHADRO CCOc1ccccc1C(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001314210447 1069831987 /nfs/dbraw/zinc/83/19/87/1069831987.db2.gz ORLZULGEEQIDEE-XMMPIXPASA-N 1 0 496.700 3.958 20 0 JHADRO O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001312281923 1069835507 /nfs/dbraw/zinc/83/55/07/1069835507.db2.gz YODQMCQYRHWHHD-NJDAHSKKSA-N 1 0 450.421 3.967 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001307058844 1069842540 /nfs/dbraw/zinc/84/25/40/1069842540.db2.gz QTRGBJHJGLXJKY-HSZRJFAPSA-N 1 0 468.646 3.810 20 0 JHADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001312289920 1069841251 /nfs/dbraw/zinc/84/12/51/1069841251.db2.gz XPGMUWUXGSZXDN-NRSPTQNISA-N 1 0 452.437 3.837 20 0 JHADRO CCOc1ccccc1OCc1nnc(N(C)[C@@H]2CCOC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314215045 1069845464 /nfs/dbraw/zinc/84/54/64/1069845464.db2.gz FRJBQPCDTIVOQV-UZINWLIJSA-N 1 0 471.646 3.991 20 0 JHADRO 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CCO[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314276669 1070035127 /nfs/dbraw/zinc/03/51/27/1070035127.db2.gz RJRDZBVTJOWSDP-DNQXCXABSA-N 1 0 455.647 3.539 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC(C)C)C1 ZINC001314276778 1070035707 /nfs/dbraw/zinc/03/57/07/1070035707.db2.gz UBFBYOVENMSHDD-XMMPIXPASA-N 1 0 454.663 3.694 20 0 JHADRO COC[C@H](NC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC001312602339 1070039978 /nfs/dbraw/zinc/03/99/78/1070039978.db2.gz NGIOXJOBCNATHF-ZEQRLZLVSA-N 1 0 457.018 3.629 20 0 JHADRO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001307536928 1070040642 /nfs/dbraw/zinc/04/06/42/1070040642.db2.gz HAFRNFJEMKNRNW-GOSISDBHSA-N 1 0 458.990 3.852 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314282032 1070048502 /nfs/dbraw/zinc/04/85/02/1070048502.db2.gz NXERHGUIDVFSGT-MZKRTTBSSA-N 1 0 475.609 3.501 20 0 JHADRO C[N@@H+]1CCC[C@H](N2CCN(CC(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)cs3)CC2)C1 ZINC001307569641 1070056775 /nfs/dbraw/zinc/05/67/75/1070056775.db2.gz VKNLPEJWKRSIJV-NRFANRHFSA-N 1 0 455.672 3.758 20 0 JHADRO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001307571018 1070057329 /nfs/dbraw/zinc/05/73/29/1070057329.db2.gz BRIVDQKGWDHQMX-AEFFLSMTSA-N 1 0 453.974 3.614 20 0 JHADRO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001307573728 1070059988 /nfs/dbraw/zinc/05/99/88/1070059988.db2.gz LYDXNWMOEWQUQF-HPFXQQBRSA-N 1 0 452.521 3.716 20 0 JHADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC001312646811 1070060915 /nfs/dbraw/zinc/06/09/15/1070060915.db2.gz QGNVTOUNGZVHGX-VQIMIIECSA-N 1 0 453.414 3.862 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC001307584863 1070064361 /nfs/dbraw/zinc/06/43/61/1070064361.db2.gz CMVMWQQXUOOQAM-GOTSBHOMSA-N 1 0 459.631 3.821 20 0 JHADRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001307585843 1070065267 /nfs/dbraw/zinc/06/52/67/1070065267.db2.gz LTHPLHIXLHRITF-UHFFFAOYSA-N 1 0 451.611 3.844 20 0 JHADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@@H]3C[C@H](O)c3cnn(C)c3)ccc2c1 ZINC001307587042 1070066069 /nfs/dbraw/zinc/06/60/69/1070066069.db2.gz JAQDQEVCCKOYRR-UODBTFMRSA-N 1 0 450.583 3.517 20 0 JHADRO C[C@H](NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC001312661468 1070068956 /nfs/dbraw/zinc/06/89/56/1070068956.db2.gz RZMPENMGCGLEHN-QXAKKESOSA-N 1 0 454.562 3.869 20 0 JHADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001312663171 1070069654 /nfs/dbraw/zinc/06/96/54/1070069654.db2.gz YOJZQYPXUFLPMG-MDKPJZGXSA-N 1 0 453.505 3.744 20 0 JHADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C)[NH+](C)C ZINC001312659544 1070067715 /nfs/dbraw/zinc/06/77/15/1070067715.db2.gz KBLIERKHZHIWTC-VNYTWHDVSA-N 1 0 450.599 3.975 20 0 JHADRO CCOCc1ccccc1Cn1c(N2CC[NH+](CC3CCOCC3)CC2)nnc1C(C)(C)C ZINC001314292047 1070072589 /nfs/dbraw/zinc/07/25/89/1070072589.db2.gz IQQINIHVZAEVMK-UHFFFAOYSA-N 1 0 455.647 3.709 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001307599651 1070074298 /nfs/dbraw/zinc/07/42/98/1070074298.db2.gz PAIDWERIMCSLGF-QFIPXVFZSA-N 1 0 457.537 3.980 20 0 JHADRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)CC(C)(C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC001307606305 1070078777 /nfs/dbraw/zinc/07/87/77/1070078777.db2.gz HEYSCSDEGCACQG-SFHVURJKSA-N 1 0 451.633 3.566 20 0 JHADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1)c1ccco1 ZINC001312681069 1070079262 /nfs/dbraw/zinc/07/92/62/1070079262.db2.gz UPGYVJZAKYDTRT-RRMPHLOHSA-N 1 0 452.393 3.764 20 0 JHADRO CCOCc1nnc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314296250 1070079724 /nfs/dbraw/zinc/07/97/24/1070079724.db2.gz BCJYZIMQXZXYHU-GTJUCTONSA-N 1 0 461.676 3.871 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)CN[C@H](c3ccc(OC)cc3)C(F)(F)F)cc2)CC1 ZINC001307602400 1070076708 /nfs/dbraw/zinc/07/67/08/1070076708.db2.gz SKFQMVCFGPPMRY-JOCHJYFZSA-N 1 0 450.505 3.669 20 0 JHADRO Cc1cccc(COc2ccc([C@H](C)[NH2+][C@H](C)C(=O)N3CCN(c4ncccn4)CC3)cc2)c1 ZINC001307610047 1070080439 /nfs/dbraw/zinc/08/04/39/1070080439.db2.gz GPQSUTJWCLIFTL-FCHUYYIVSA-N 1 0 459.594 3.752 20 0 JHADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC001312684878 1070082101 /nfs/dbraw/zinc/08/21/01/1070082101.db2.gz KFOAXVMOOWAJAI-OALUTQOASA-N 1 0 451.409 3.580 20 0 JHADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1ccc2c(c1)OCCO2 ZINC001307623711 1070086102 /nfs/dbraw/zinc/08/61/02/1070086102.db2.gz NJNWEAAFIWASFG-INIZCTEOSA-N 1 0 452.292 3.742 20 0 JHADRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(F)cc1)c1cc2c(cc1Br)OCCO2 ZINC001307623261 1070086456 /nfs/dbraw/zinc/08/64/56/1070086456.db2.gz VTGUUYKQQDRAIG-ZDUSSCGKSA-N 1 0 458.349 3.874 20 0 JHADRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001307636933 1070093944 /nfs/dbraw/zinc/09/39/44/1070093944.db2.gz MQFIJAATWKFDMQ-LJQANCHMSA-N 1 0 455.983 3.525 20 0 JHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001307632796 1070092037 /nfs/dbraw/zinc/09/20/37/1070092037.db2.gz YXRIHCGXJXKNCW-RBUKOAKNSA-N 1 0 450.583 3.622 20 0 JHADRO CCN(Cc1ccc2c(c1)OCO2)C(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC001312715387 1070092003 /nfs/dbraw/zinc/09/20/03/1070092003.db2.gz IBMAHSBZCZAUJM-UHFFFAOYSA-N 1 0 452.555 3.570 20 0 JHADRO CCOCc1nnc(N(C)Cc2cccc(Br)c2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001314307022 1070094637 /nfs/dbraw/zinc/09/46/37/1070094637.db2.gz VNEKCXUBYIRTRA-SFHVURJKSA-N 1 0 480.451 3.714 20 0 JHADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001312732063 1070096266 /nfs/dbraw/zinc/09/62/66/1070096266.db2.gz CJOSCXIWSVHMRQ-BAGYTPMASA-N 1 0 462.610 3.950 20 0 JHADRO 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ZINC001314326973 1070114481 /nfs/dbraw/zinc/11/44/81/1070114481.db2.gz YHPZUXCALZZRFZ-QFIPXVFZSA-N 1 0 469.630 3.740 20 0 JHADRO COc1ccc(C[C@@](C)(CO)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001312768503 1070112948 /nfs/dbraw/zinc/11/29/48/1070112948.db2.gz PXJKTLKDCGVYSH-HIOPSQRHSA-N 1 0 451.611 3.874 20 0 JHADRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001307672482 1070116217 /nfs/dbraw/zinc/11/62/17/1070116217.db2.gz NPIQHCNYHQJVDM-IBGZPJMESA-N 1 0 452.603 3.813 20 0 JHADRO CCOCc1nnc(N2CCC(C)=C(Br)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001314331702 1070124711 /nfs/dbraw/zinc/12/47/11/1070124711.db2.gz GFQDARLCISGYCE-UHFFFAOYSA-N 1 0 478.435 3.682 20 0 JHADRO CCOCc1nnc(N2CCC(C(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001314333990 1070128789 /nfs/dbraw/zinc/12/87/89/1070128789.db2.gz LBUULMVXAXZUAO-DEOSSOPVSA-N 1 0 455.647 3.692 20 0 JHADRO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)cc1OC ZINC001307691961 1070129282 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/nfs/dbraw/zinc/18/29/16/1070182916.db2.gz IGCFTPKMOCHPCV-UXHICEINSA-N 1 0 497.669 3.738 20 0 JHADRO C[C@](O)(C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC001307799561 1070187171 /nfs/dbraw/zinc/18/71/71/1070187171.db2.gz MGHJVJFTPALHDC-CTNGQTDRSA-N 1 0 452.414 3.973 20 0 JHADRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001307799085 1070187197 /nfs/dbraw/zinc/18/71/97/1070187197.db2.gz KKLIJFDFWYFLNB-QFQXNSOFSA-N 1 0 458.599 3.609 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001314363325 1070188824 /nfs/dbraw/zinc/18/88/24/1070188824.db2.gz DCJCDUBFGWINHD-UYAOXDASSA-N 1 0 478.588 3.950 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314363329 1070189565 /nfs/dbraw/zinc/18/95/65/1070189565.db2.gz DCLRZNIELWFBGT-NHCUHLMSSA-N 1 0 478.682 3.676 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314363333 1070189699 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BPPNOBWULJCZNN-OAHLLOKOSA-N 1 0 451.590 3.901 20 0 JHADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)cc1 ZINC001307811856 1070195148 /nfs/dbraw/zinc/19/51/48/1070195148.db2.gz BPIFFDKUAZBJPD-RUZDIDTESA-N 1 0 451.611 3.674 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC[C@@H](OC)C(F)(F)F ZINC001314365962 1070197113 /nfs/dbraw/zinc/19/71/13/1070197113.db2.gz NIWYCIVCJMIBIU-RBUKOAKNSA-N 1 0 461.573 3.730 20 0 JHADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C1 ZINC001307817604 1070197716 /nfs/dbraw/zinc/19/77/16/1070197716.db2.gz BZBHPXOWATZKQS-JCURWCKSSA-N 1 0 451.411 3.899 20 0 JHADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001312971702 1070204573 /nfs/dbraw/zinc/20/45/73/1070204573.db2.gz AZSROJNIQTWHOI-SIKLNZKXSA-N 1 0 459.635 3.628 20 0 JHADRO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001307834810 1070205132 /nfs/dbraw/zinc/20/51/32/1070205132.db2.gz OHOGDHJHZNYJIL-OAHLLOKOSA-N 1 0 459.493 3.727 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314370086 1070206621 /nfs/dbraw/zinc/20/66/21/1070206621.db2.gz VDXRXWBTXNTEIK-IRXDYDNUSA-N 1 0 481.523 3.767 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](n3nc(C)cc3C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314370374 1070207301 /nfs/dbraw/zinc/20/73/01/1070207301.db2.gz WPHQXAAOUPDACP-PKTZIBPZSA-N 1 0 469.609 3.911 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CC[NH+](CCC(=O)NCC3CCCCC3)CC2)C1 ZINC001307840504 1070208164 /nfs/dbraw/zinc/20/81/64/1070208164.db2.gz RSDQSLHULDGCSH-FGZHOGPDSA-N 1 0 451.652 3.857 20 0 JHADRO COc1ccc([C@H](O)C[N@H+](CCN2C(=O)c3ccccc3C2=O)[C@@H](C)Cc2ccccc2)cc1 ZINC001307843292 1070209001 /nfs/dbraw/zinc/20/90/01/1070209001.db2.gz LRWOTIVHBDKVDS-RXFWQSSRSA-N 1 0 458.558 3.958 20 0 JHADRO CSc1ccccc1OC[C@H](O)C[N@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)C(C)C ZINC001307845233 1070209438 /nfs/dbraw/zinc/20/94/38/1070209438.db2.gz RJHXNODSAFGPGH-LJQANCHMSA-N 1 0 459.612 3.824 20 0 JHADRO CCOCc1nnc(N2CCC[C@H]2c2ccc(OC)cc2OC)n1CC[NH+]1CCC(C)CC1 ZINC001314373048 1070210340 /nfs/dbraw/zinc/21/03/40/1070210340.db2.gz GCSABSOKSMSJRH-QFIPXVFZSA-N 1 0 457.619 3.905 20 0 JHADRO CC[C@H]([NH2+]CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)[C@H]1CC1(C)C ZINC001307853348 1070211983 /nfs/dbraw/zinc/21/19/83/1070211983.db2.gz QNMMKGOACBAJCS-PCRVIDNCSA-N 1 0 450.004 3.907 20 0 JHADRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001312989469 1070212522 /nfs/dbraw/zinc/21/25/22/1070212522.db2.gz YTKWAWWEYNNEPQ-STZQEDGTSA-N 1 0 462.610 3.950 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)N(CC[NH+](C)C)C(C)C)cc1F ZINC001312993086 1070214946 /nfs/dbraw/zinc/21/49/46/1070214946.db2.gz GXUKKIZFOJSSGR-FPOVZHCZSA-N 1 0 480.625 3.909 20 0 JHADRO CCOCc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314376067 1070215749 /nfs/dbraw/zinc/21/57/49/1070215749.db2.gz KISVPHIYWOJLEU-YADHBBJMSA-N 1 0 474.694 3.554 20 0 JHADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)c1ccc(N2CCNC2=O)cc1 ZINC001307868582 1070217116 /nfs/dbraw/zinc/21/71/16/1070217116.db2.gz VWOZCEBAVPWCDJ-GFCCVEGCSA-N 1 0 451.752 3.921 20 0 JHADRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)C[C@H]1c1ccccc1 ZINC001307881487 1070222339 /nfs/dbraw/zinc/22/23/39/1070222339.db2.gz ZINWXZGSEKDEPA-KKSHJYNMSA-N 1 0 452.551 3.732 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)C[C@H]1c1ccc(Cl)cc1 ZINC001307882012 1070222406 /nfs/dbraw/zinc/22/24/06/1070222406.db2.gz FFVNPKQKEWLRKF-UPUUWEMXSA-N 1 0 479.017 3.945 20 0 JHADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001313027959 1070225895 /nfs/dbraw/zinc/22/58/95/1070225895.db2.gz WYXYRIOTECIBKZ-MJGOQNOKSA-N 1 0 456.450 3.829 20 0 JHADRO COCC[N@H+](CC(=O)Nc1c(C)cccc1C)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001307893928 1070228245 /nfs/dbraw/zinc/22/82/45/1070228245.db2.gz LNRSBKQUAMUSSH-UHFFFAOYSA-N 1 0 453.583 3.992 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H]2c2csc(C)n2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001314382843 1070225768 /nfs/dbraw/zinc/22/57/68/1070225768.db2.gz VLDXQQPHQDDUTI-HXUWFJFHSA-N 1 0 462.664 3.810 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314384369 1070228745 /nfs/dbraw/zinc/22/87/45/1070228745.db2.gz OFBPMEQNAXKNCE-UHFFFAOYSA-N 1 0 482.673 3.544 20 0 JHADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)CC1 ZINC001307896332 1070229832 /nfs/dbraw/zinc/22/98/32/1070229832.db2.gz LHSGGZNKKAFBFV-SANMLTNESA-N 1 0 456.030 3.713 20 0 JHADRO Cc1ccccc1[C@@H]([NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCC(C)CC1 ZINC001307896368 1070229908 /nfs/dbraw/zinc/22/99/08/1070229908.db2.gz CKWZRCGORPUULX-HGEUABKPSA-N 1 0 455.624 3.689 20 0 JHADRO C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001307897329 1070230154 /nfs/dbraw/zinc/23/01/54/1070230154.db2.gz NEORSIHNVIONIZ-UTKZUKDTSA-N 1 0 458.603 3.533 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001314385557 1070231303 /nfs/dbraw/zinc/23/13/03/1070231303.db2.gz MDLMBQPCFWGBMU-HXUWFJFHSA-N 1 0 499.660 3.572 20 0 JHADRO COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC001313045468 1070234082 /nfs/dbraw/zinc/23/40/82/1070234082.db2.gz GECGOJUTCIRXGT-HSZRJFAPSA-N 1 0 453.583 3.669 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@@H](c1c(F)cccc1F)N(C)C ZINC001314390086 1070243165 /nfs/dbraw/zinc/24/31/65/1070243165.db2.gz IPFWIHJNHBLFND-QFIPXVFZSA-N 1 0 476.616 3.850 20 0 JHADRO O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1)N(Cc1ccccc1)C1CC1 ZINC001307916655 1070239310 /nfs/dbraw/zinc/23/93/10/1070239310.db2.gz HFARWNZAYHHGAG-CTNGQTDRSA-N 1 0 451.533 3.833 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C ZINC001314390048 1070243264 /nfs/dbraw/zinc/24/32/64/1070243264.db2.gz HTIKYPRCIYNNPN-GCJKJVERSA-N 1 0 476.616 3.706 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3OCC)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314391612 1070245870 /nfs/dbraw/zinc/24/58/70/1070245870.db2.gz QTQKUSIRBCEPHU-UHFFFAOYSA-N 1 0 470.662 3.662 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(Oc2cccnc2)c(F)c1 ZINC001314390463 1070244167 /nfs/dbraw/zinc/24/41/67/1070244167.db2.gz SLDASTXYOUCPAI-UHFFFAOYSA-N 1 0 454.550 3.720 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](CC(=O)N[C@@H]3CCOc4ccccc43)CC2)C1 ZINC001307923365 1070244892 /nfs/dbraw/zinc/24/48/92/1070244892.db2.gz HMGJJSJSZRDQAA-RBBKRZOGSA-N 1 0 457.615 3.986 20 0 JHADRO O=C(N1CCC[C@@H](C2CC[NH+]([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1)C(F)(F)F ZINC001307939984 1070250983 /nfs/dbraw/zinc/25/09/83/1070250983.db2.gz BTZDGLBDUUEEQO-NHCUHLMSSA-N 1 0 451.533 3.691 20 0 JHADRO CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001307939926 1070251002 /nfs/dbraw/zinc/25/10/02/1070251002.db2.gz AKLAJEHXAGGXTD-MSOLQXFVSA-N 1 0 458.525 3.993 20 0 JHADRO CCOCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCc1cccc(F)c1 ZINC001314393768 1070251055 /nfs/dbraw/zinc/25/10/55/1070251055.db2.gz HYGBRLGVFHACKE-UHFFFAOYSA-N 1 0 472.653 3.581 20 0 JHADRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1cc(F)c(Br)cc1F ZINC001307941198 1070251813 /nfs/dbraw/zinc/25/18/13/1070251813.db2.gz NLCCYSMEZRYGTA-AWEZNQCLSA-N 1 0 453.331 3.512 20 0 JHADRO CCOCc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001314396264 1070254767 /nfs/dbraw/zinc/25/47/67/1070254767.db2.gz JFZHCHNPGYDTCQ-OAQYLSRUSA-N 1 0 489.734 3.765 20 0 JHADRO CC(C)(C)c1ncc2c(n1)CCN(CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C2 ZINC001307950355 1070255641 /nfs/dbraw/zinc/25/56/41/1070255641.db2.gz FYQUJSYJQMRPKP-JOCHJYFZSA-N 1 0 456.034 3.739 20 0 JHADRO Cc1cccc(C)c1OC[C@@H](O)CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001313122937 1070258865 /nfs/dbraw/zinc/25/88/65/1070258865.db2.gz RGUDFLAYWAVZQF-PXNSSMCTSA-N 1 0 454.398 3.952 20 0 JHADRO CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001314399794 1070260105 /nfs/dbraw/zinc/26/01/05/1070260105.db2.gz DRMVRYAQDLQYOB-ILBGXUMGSA-N 1 0 455.647 3.896 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@H](O)Cc2cccc(F)c2)cc1 ZINC001313133273 1070263095 /nfs/dbraw/zinc/26/30/95/1070263095.db2.gz PZGCJTMFYSPDDX-FXVJXKIMSA-N 1 0 477.580 3.705 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001313135267 1070264248 /nfs/dbraw/zinc/26/42/48/1070264248.db2.gz BSIZMHDPTMBJDB-UGKGYDQZSA-N 1 0 455.002 3.576 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccccc3C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314402437 1070264661 /nfs/dbraw/zinc/26/46/61/1070264661.db2.gz FJJFIJPYERJKCK-FUDKSRODSA-N 1 0 471.646 3.589 20 0 JHADRO COc1cc(NC(=O)CN[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC001307982133 1070268551 /nfs/dbraw/zinc/26/85/51/1070268551.db2.gz JQJRARBNKAGVAY-KRWDZBQOSA-N 1 0 456.370 3.850 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CC1([NH+](C)C)CCC1 ZINC001314406738 1070269902 /nfs/dbraw/zinc/26/99/02/1070269902.db2.gz JDRKGOGUIIKKQH-IBGZPJMESA-N 1 0 451.974 3.669 20 0 JHADRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001307993087 1070273208 /nfs/dbraw/zinc/27/32/08/1070273208.db2.gz PXLMWUANOVKELX-BYPCIHSKSA-N 1 0 474.561 3.679 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1CC[NH+]1CCC(C)CC1 ZINC001314407117 1070270681 /nfs/dbraw/zinc/27/06/81/1070270681.db2.gz KGUDCOZCVOVVGE-NRFANRHFSA-N 1 0 492.462 3.887 20 0 JHADRO COc1ccc(N=c2scc(CN3CC[N@H+](C)[C@@H](CO)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001307986341 1070270730 /nfs/dbraw/zinc/27/07/30/1070270730.db2.gz DYKFOVVOOPPJRA-DENIHFKCSA-N 1 0 452.624 3.508 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CCC[N@H+](C)C(C)C ZINC001314408890 1070273508 /nfs/dbraw/zinc/27/35/08/1070273508.db2.gz QXPSPLRGEAYAKH-FQEVSTJZSA-N 1 0 453.990 3.915 20 0 JHADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001307993352 1070272907 /nfs/dbraw/zinc/27/29/07/1070272907.db2.gz PXLMWUANOVKELX-RNHNHXFSSA-N 1 0 474.561 3.679 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314409378 1070273816 /nfs/dbraw/zinc/27/38/16/1070273816.db2.gz NONCVHHQIHWMIV-RTWAWAEBSA-N 1 0 455.628 3.627 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314410725 1070276945 /nfs/dbraw/zinc/27/69/45/1070276945.db2.gz VUXKEMUXLSESLP-WSTZPKSXSA-N 1 0 462.664 3.525 20 0 JHADRO CSc1ccccc1NC(=O)CC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001308012014 1070278960 /nfs/dbraw/zinc/27/89/60/1070278960.db2.gz JPKOEUJNLWVNPT-QZTJIDSGSA-N 1 0 458.628 3.918 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001314413288 1070279200 /nfs/dbraw/zinc/27/92/00/1070279200.db2.gz RWCVLPPZVKJEGW-VQTJNVASSA-N 1 0 464.655 3.573 20 0 JHADRO CCOc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c3cnn(C)c3)C2)cc1 ZINC001308013631 1070279819 /nfs/dbraw/zinc/27/98/19/1070279819.db2.gz MPBLFPHGRKZFFS-MOPGFXCFSA-N 1 0 456.587 3.595 20 0 JHADRO CCOc1ccc(NC(=O)CC[N@@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@@H](c3cnn(C)c3)C2)cc1 ZINC001308013639 1070280195 /nfs/dbraw/zinc/28/01/95/1070280195.db2.gz MPBLFPHGRKZFFS-RTBURBONSA-N 1 0 456.587 3.595 20 0 JHADRO CCOCc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001314414974 1070280553 /nfs/dbraw/zinc/28/05/53/1070280553.db2.gz VUASZXTYRIQLQD-FSSWDIPSSA-N 1 0 490.693 3.915 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001314417030 1070283296 /nfs/dbraw/zinc/28/32/96/1070283296.db2.gz IVYVIDJEHIAHBY-SFTDATJTSA-N 1 0 468.646 3.883 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001314420579 1070292381 /nfs/dbraw/zinc/29/23/81/1070292381.db2.gz OQXFPFGECREQQB-VQTJNVASSA-N 1 0 462.038 3.820 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001314418861 1070288772 /nfs/dbraw/zinc/28/87/72/1070288772.db2.gz LGHCLVDLNWIXSB-FDFHNCONSA-N 1 0 471.646 3.706 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001314419830 1070290217 /nfs/dbraw/zinc/29/02/17/1070290217.db2.gz NQSVXBVFXXAAQZ-UQBPGWFLSA-N 1 0 489.686 3.653 20 0 JHADRO C[C@H]1C[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001308049663 1070292673 /nfs/dbraw/zinc/29/26/73/1070292673.db2.gz BBGRCJOKQTVCDG-UUOWRZLLSA-N 1 0 453.624 3.734 20 0 JHADRO CC[C@](C)(O)CN(Cc1ccccc1)C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001313215703 1070295384 /nfs/dbraw/zinc/29/53/84/1070295384.db2.gz FGKJBIKYKSPMQA-SANMLTNESA-N 1 0 453.627 3.776 20 0 JHADRO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](CNC(=O)OC(C)(C)C)c2ccc(OC)cc2)C[C@H]1C(F)(F)F ZINC001308057754 1070296528 /nfs/dbraw/zinc/29/65/28/1070296528.db2.gz QNSQOERQHVVPQX-BHIYHBOVSA-N 1 0 474.520 3.977 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@H](C[N@@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@]4(C)C3)C2)C1 ZINC001308062433 1070298379 /nfs/dbraw/zinc/29/83/79/1070298379.db2.gz QANXBDCLBMLDHS-XDESJKQVSA-N 1 0 465.635 3.591 20 0 JHADRO CC(C)(C)Oc1cccc(CNC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001313240107 1070302514 /nfs/dbraw/zinc/30/25/14/1070302514.db2.gz AFBATHKZUUNMNR-DEOSSOPVSA-N 1 0 450.627 3.966 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001314423875 1070299842 /nfs/dbraw/zinc/29/98/42/1070299842.db2.gz QNVNIYLANHTUNP-URXFXBBRSA-N 1 0 455.647 3.923 20 0 JHADRO COc1ccc(CN2CCCN(C(=O)C[N@@H+]3CCCC[C@H]3CC3(O)CCCCC3)CC2)cc1 ZINC001308069161 1070301493 /nfs/dbraw/zinc/30/14/93/1070301493.db2.gz SAENZNSSLRJLOQ-DEOSSOPVSA-N 1 0 457.659 3.669 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001314424580 1070301540 /nfs/dbraw/zinc/30/15/40/1070301540.db2.gz FTRPMYAXTJUCJL-NRFANRHFSA-N 1 0 476.065 3.886 20 0 JHADRO C[NH+]1CCN(c2ccc(CCNC(=O)NCc3cc(C(F)(F)F)cc(Cl)n3)cc2)CC1 ZINC001313242478 1070303494 /nfs/dbraw/zinc/30/34/94/1070303494.db2.gz PGUFILXHQLZMTO-UHFFFAOYSA-N 1 0 455.912 3.548 20 0 JHADRO COC(=O)c1scc(C)c1NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001308077806 1070304602 /nfs/dbraw/zinc/30/46/02/1070304602.db2.gz LHKHMCUJQVFAFK-VNQPRFMTSA-N 1 0 453.605 3.653 20 0 JHADRO OC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1C(F)(F)F ZINC001308096600 1070309808 /nfs/dbraw/zinc/30/98/08/1070309808.db2.gz FYIZUPQPWFRSKV-DYVFJYSZSA-N 1 0 452.242 3.670 20 0 JHADRO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001308107359 1070313803 /nfs/dbraw/zinc/31/38/03/1070313803.db2.gz NLTDYVJQBRYTTP-GOSISDBHSA-N 1 0 456.587 3.987 20 0 JHADRO CCS(=O)(=O)c1ccccc1CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313273698 1070312420 /nfs/dbraw/zinc/31/24/20/1070312420.db2.gz VSXLWFPMWQMZPX-REWPJTCUSA-N 1 0 457.640 3.717 20 0 JHADRO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@H+](Cc1cccc(CN3CCOCC3)c1)CCO2 ZINC001308106901 1070314273 /nfs/dbraw/zinc/31/42/73/1070314273.db2.gz HVSVUMRNIOHEBD-UHFFFAOYSA-N 1 0 459.631 3.557 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001314432559 1070317313 /nfs/dbraw/zinc/31/73/13/1070317313.db2.gz CEYVBBMWSHZVKP-AUSIDOKSSA-N 1 0 452.578 3.953 20 0 JHADRO CN(C)c1cc[nH+]c(CNC(=O)N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1 ZINC001313295601 1070319123 /nfs/dbraw/zinc/31/91/23/1070319123.db2.gz BRWICEUMCKEBBJ-URXFXBBRSA-N 1 0 450.514 3.537 20 0 JHADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001313292692 1070319178 /nfs/dbraw/zinc/31/91/78/1070319178.db2.gz YUGRWYHIDMCGIR-LJQANCHMSA-N 1 0 454.562 3.652 20 0 JHADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1)c1ccc(OC(F)(F)F)cc1 ZINC001308125519 1070323205 /nfs/dbraw/zinc/32/32/05/1070323205.db2.gz VQYIXYROOVZBCT-HOTGVXAUSA-N 1 0 459.509 3.999 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+](C)C2CCCC2)C1 ZINC001314434243 1070320145 /nfs/dbraw/zinc/32/01/45/1070320145.db2.gz LCRZABWYLITNHM-KRWDZBQOSA-N 1 0 479.467 3.783 20 0 JHADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)NCC1CCC(S(C)(=O)=O)CC1 ZINC001313301055 1070320615 /nfs/dbraw/zinc/32/06/15/1070320615.db2.gz IXISIFKWPDVXBH-UHFFFAOYSA-N 1 0 458.068 3.797 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314434789 1070320762 /nfs/dbraw/zinc/32/07/62/1070320762.db2.gz HZYYADYFNLMPPV-HBMCJLEFSA-N 1 0 471.646 3.704 20 0 JHADRO C[C@H]([NH2+]C1(CNC(=O)NCCc2ccc3c(c2)OCCCO3)CCOCC1)c1ccccc1 ZINC001313306269 1070321390 /nfs/dbraw/zinc/32/13/90/1070321390.db2.gz HKJWDDWAAHVMNB-FQEVSTJZSA-N 1 0 453.583 3.590 20 0 JHADRO CCC[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001313308455 1070322857 /nfs/dbraw/zinc/32/28/57/1070322857.db2.gz XXSLJORQHZTLHI-JHMXWDHMSA-N 1 0 470.564 3.933 20 0 JHADRO CC(C)(C)OC(=O)N1CC(OC2CC[NH+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC2)C1 ZINC001308125897 1070322868 /nfs/dbraw/zinc/32/28/68/1070322868.db2.gz YVLDVEZBGYQKCR-QGZVFWFLSA-N 1 0 458.521 3.709 20 0 JHADRO CC(C)(C)OC(=O)N1CC(OC2CC[NH+](CC[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC001308125379 1070323020 /nfs/dbraw/zinc/32/30/20/1070323020.db2.gz VJIXALFSXXFJKW-SFHVURJKSA-N 1 0 453.624 3.734 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CC[NH+]([C@@H]1CCCN(Cc3ccccc3)C1=O)CC2 ZINC001308127285 1070323816 /nfs/dbraw/zinc/32/38/16/1070323816.db2.gz WGODQSPTCAMRAP-FGZHOGPDSA-N 1 0 457.615 3.573 20 0 JHADRO C[NH+](C)CCC1CCN(C(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)CC1 ZINC001313315891 1070325497 /nfs/dbraw/zinc/32/54/97/1070325497.db2.gz BGNPWENNEDRBNM-FQEVSTJZSA-N 1 0 450.546 3.692 20 0 JHADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(I)cc2)c(OC)c1 ZINC001308158688 1070332632 /nfs/dbraw/zinc/33/26/32/1070332632.db2.gz RENRRTOAGXCOSO-CHWSQXEVSA-N 1 0 454.308 3.986 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001313366390 1070338249 /nfs/dbraw/zinc/33/82/49/1070338249.db2.gz LUIVTAVTJZXAGN-TZRRMPRUSA-N 1 0 450.583 3.575 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3OCCN3CCOCC3)C[C@H]2C1 ZINC001308227619 1070343228 /nfs/dbraw/zinc/34/32/28/1070343228.db2.gz OQDNUXXYDHJIQF-RJGXRXQPSA-N 1 0 459.631 3.523 20 0 JHADRO COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)COc2ccc(I)cc2)cc1 ZINC001308244188 1070344556 /nfs/dbraw/zinc/34/45/56/1070344556.db2.gz HXXBLPDBBRBNRE-CRAIPNDOSA-N 1 0 455.336 3.650 20 0 JHADRO C[NH+](C)CCNC(=O)c1cccc(CNCc2cc(OC(F)F)ccc2Br)c1 ZINC001308244378 1070345016 /nfs/dbraw/zinc/34/50/16/1070345016.db2.gz HNGWUGYCYQDEDK-UHFFFAOYSA-N 1 0 456.331 3.632 20 0 JHADRO O[C@@H](C[NH2+]Cc1ccnc(Cl)c1Cl)COc1ccc(I)cc1 ZINC001308245071 1070345546 /nfs/dbraw/zinc/34/55/46/1070345546.db2.gz WIEAYIRMLPYCLM-LBPRGKRZSA-N 1 0 453.107 3.523 20 0 JHADRO COc1ccc(C2(C[NH2+]Cc3ccc(S(N)(=O)=O)c(Cl)c3)CCCCC2)cc1OC ZINC001308269807 1070348994 /nfs/dbraw/zinc/34/89/94/1070348994.db2.gz SIWVNOZJQVLBQJ-UHFFFAOYSA-N 1 0 453.004 3.996 20 0 JHADRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC001308278441 1070350842 /nfs/dbraw/zinc/35/08/42/1070350842.db2.gz BJLKHTGYDHPVEL-KRWDZBQOSA-N 1 0 455.404 3.535 20 0 JHADRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC001308329897 1070357190 /nfs/dbraw/zinc/35/71/90/1070357190.db2.gz DZJKYLOHZALOHE-WMZHIEFXSA-N 1 0 456.587 3.794 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+]CCCc3ccc4c(c3)OCCO4)o2)CC1 ZINC001308330079 1070358091 /nfs/dbraw/zinc/35/80/91/1070358091.db2.gz BWGUTHVVYROCEX-UHFFFAOYSA-N 1 0 457.571 3.830 20 0 JHADRO CSc1cc(Br)ccc1C[NH2+]C[C@@H]1CCn2ncc(C(=O)NC(C)C)c2C1 ZINC001308374539 1070364041 /nfs/dbraw/zinc/36/40/41/1070364041.db2.gz MVRHRCHMOFXTEL-CQSZACIVSA-N 1 0 451.434 3.858 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001313446791 1070364451 /nfs/dbraw/zinc/36/44/51/1070364451.db2.gz FQGZURABWVCIEX-HFSMHLIXSA-N 1 0 479.572 3.661 20 0 JHADRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC001308382419 1070365196 /nfs/dbraw/zinc/36/51/96/1070365196.db2.gz ISXCEEOGAVTBQX-HXUWFJFHSA-N 1 0 459.388 3.682 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC(N)=O ZINC001313448338 1070370514 /nfs/dbraw/zinc/37/05/14/1070370514.db2.gz POXJJIOKQLHCJQ-MJGOQNOKSA-N 1 0 458.676 3.850 20 0 JHADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001308415664 1070372356 /nfs/dbraw/zinc/37/23/56/1070372356.db2.gz YUDCXPBSRQTVDW-MRXNPFEDSA-N 1 0 454.386 3.525 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](CC)C1 ZINC001313448920 1070372608 /nfs/dbraw/zinc/37/26/08/1070372608.db2.gz PYXYGMFOSXEUMX-NQIIRXRSSA-N 1 0 459.038 3.972 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313449063 1070373133 /nfs/dbraw/zinc/37/31/33/1070373133.db2.gz UVXJXKMKGWHQRW-WBVHZDCISA-N 1 0 495.441 3.539 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001314464226 1070373437 /nfs/dbraw/zinc/37/34/37/1070373437.db2.gz BRYITSFWGDHODD-DEOSSOPVSA-N 1 0 466.630 3.631 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001313449081 1070373434 /nfs/dbraw/zinc/37/34/34/1070373434.db2.gz VAWDTPHORBHNLR-SFHVURJKSA-N 1 0 489.466 3.897 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001313449750 1070375699 /nfs/dbraw/zinc/37/56/99/1070375699.db2.gz ZPZNMFXTXAEPCM-WMZOPIPTSA-N 1 0 479.467 3.924 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CCOc2ccccc2)CC1 ZINC001313450851 1070378664 /nfs/dbraw/zinc/37/86/64/1070378664.db2.gz OEIBBFOYTLHBLY-QHCPKHFHSA-N 1 0 468.690 3.942 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[NH2+]CCc2ccc([Si](C)(C)C)cc2)C1 ZINC001308468948 1070379561 /nfs/dbraw/zinc/37/95/61/1070379561.db2.gz VXIBTRZOLCGZDH-HXUWFJFHSA-N 1 0 457.695 3.728 20 0 JHADRO C[C@@H]1[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CCS1(=O)=O ZINC001308485711 1070381196 /nfs/dbraw/zinc/38/11/96/1070381196.db2.gz HWLGUPYOOYOWOW-FOIQADDNSA-N 1 0 460.397 3.967 20 0 JHADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC001308494627 1070381994 /nfs/dbraw/zinc/38/19/94/1070381994.db2.gz LKALHEYSCWPJAD-LJQANCHMSA-N 1 0 459.761 3.511 20 0 JHADRO O=C1NCCN1Cc1ccc(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)cc1 ZINC001308492743 1070382068 /nfs/dbraw/zinc/38/20/68/1070382068.db2.gz MNPFKTAQNZJYOM-UHFFFAOYSA-N 1 0 457.416 3.729 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313452183 1070382067 /nfs/dbraw/zinc/38/20/67/1070382067.db2.gz FBCYZUKTHUXFBM-VXKWHMMOSA-N 1 0 484.645 3.625 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001313453384 1070385357 /nfs/dbraw/zinc/38/53/57/1070385357.db2.gz RBMSLJGDWXHIPH-PMACEKPBSA-N 1 0 457.619 3.744 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001313452644 1070383226 /nfs/dbraw/zinc/38/32/26/1070383226.db2.gz ONOIZVRAWLNIHJ-SFTDATJTSA-N 1 0 472.609 3.597 20 0 JHADRO COC1(OC)CCOC[C@H]1CC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC001308526673 1070385660 /nfs/dbraw/zinc/38/56/60/1070385660.db2.gz WCMYIRDGPNTQBS-QGZVFWFLSA-N 1 0 452.393 3.757 20 0 JHADRO Cn1ccn2c(CC[NH2+]Cc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)nnc2c1=O ZINC001308524120 1070385765 /nfs/dbraw/zinc/38/57/65/1070385765.db2.gz GYUOAWVLRFSVHA-UHFFFAOYSA-N 1 0 458.349 3.646 20 0 JHADRO CCOCCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001314474648 1070385883 /nfs/dbraw/zinc/38/58/83/1070385883.db2.gz ISEARQZSZQLVQI-FCHUYYIVSA-N 1 0 492.709 3.987 20 0 JHADRO O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(OCc4ccccc4)c(Br)c3)C2)nc[nH]1 ZINC001308543420 1070388065 /nfs/dbraw/zinc/38/80/65/1070388065.db2.gz IRVMVDVKJXIQDF-GOSISDBHSA-N 1 0 455.356 3.892 20 0 JHADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(I)s2)ccc1S(C)(=O)=O ZINC001308552123 1070388494 /nfs/dbraw/zinc/38/84/94/1070388494.db2.gz QHEUFSMOXQRASB-SNVBAGLBSA-N 1 0 451.351 3.616 20 0 JHADRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nn2)C1 ZINC001308564423 1070390142 /nfs/dbraw/zinc/39/01/42/1070390142.db2.gz LNPROPPQEKOBRE-HNNXBMFYSA-N 1 0 459.513 3.837 20 0 JHADRO CCCn1nc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2CCCSC)c2ccccc2c1=O ZINC001313455509 1070392747 /nfs/dbraw/zinc/39/27/47/1070392747.db2.gz MTNGPCBANMHCMK-RBUKOAKNSA-N 1 0 483.686 3.737 20 0 JHADRO CCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001314481698 1070394367 /nfs/dbraw/zinc/39/43/67/1070394367.db2.gz YTKLGZPVYPKBNO-SFHVURJKSA-N 1 0 492.462 3.742 20 0 JHADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC001308583137 1070394666 /nfs/dbraw/zinc/39/46/66/1070394666.db2.gz IYIBOUAJKHDLLU-HZPDHXFCSA-N 1 0 452.466 3.891 20 0 JHADRO CCCn1nc(-c2nnc(N3C[C@H](C)O[C@@H](CC)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313456441 1070396490 /nfs/dbraw/zinc/39/64/90/1070396490.db2.gz XHHVOLKWOLJGLM-SFTDATJTSA-N 1 0 495.672 3.799 20 0 JHADRO CC(C)(C)c1ccc(CC[N@@H+]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC001308617027 1070402579 /nfs/dbraw/zinc/40/25/79/1070402579.db2.gz GTEZKPSPFLBSEM-UHFFFAOYSA-N 1 0 458.624 3.694 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](C)SC)c2ccccc2c1=O ZINC001313460322 1070410760 /nfs/dbraw/zinc/41/07/60/1070410760.db2.gz NQNVIHGWUJZYMB-LJQANCHMSA-N 1 0 483.686 3.595 20 0 JHADRO COC(=O)c1ccc(COc2ccc(C[NH+]3CCC(OC[C@H]4CCOC4)CC3)cc2OC)o1 ZINC001308633990 1070407463 /nfs/dbraw/zinc/40/74/63/1070407463.db2.gz BLVPXSCMUOPMQA-IBGZPJMESA-N 1 0 459.539 3.671 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccnc(C(F)(F)F)c2)C[C@H]1CC ZINC001314495332 1070412858 /nfs/dbraw/zinc/41/28/58/1070412858.db2.gz HNDUVRCYOIFOOP-GOSISDBHSA-N 1 0 477.535 3.672 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCCCCC2)C[C@@H]1CC ZINC001314495634 1070414500 /nfs/dbraw/zinc/41/45/00/1070414500.db2.gz JPBIZJVRBTWQFU-DEOSSOPVSA-N 1 0 496.700 3.983 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)C2CCCCC2)C[C@H]1CC ZINC001314495837 1070416296 /nfs/dbraw/zinc/41/62/96/1070416296.db2.gz KNQZKBCTUDLONV-ATIYNZHBSA-N 1 0 472.678 3.552 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2CC2(C(=O)N(C)C)CCCC2)C[C@@H]1CC ZINC001314496271 1070417012 /nfs/dbraw/zinc/41/70/12/1070417012.db2.gz PBGHLLQFQXUDRM-QHCPKHFHSA-N 1 0 496.700 3.839 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(OC)CCC(C)CC2)C[C@H]1CC ZINC001314496558 1070417922 /nfs/dbraw/zinc/41/79/22/1070417922.db2.gz TVHHMEXGRMPRRI-YOOZRZFBSA-N 1 0 458.651 3.806 20 0 JHADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC001308695849 1070420301 /nfs/dbraw/zinc/42/03/01/1070420301.db2.gz KCBSCSFIQCKCLQ-KRWDZBQOSA-N 1 0 452.393 3.962 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCS2)C[C@H]1CC ZINC001314497781 1070421479 /nfs/dbraw/zinc/42/14/79/1070421479.db2.gz UZUYJORYMAAVOK-QZTJIDSGSA-N 1 0 497.507 3.868 20 0 JHADRO CCOc1ccc(Oc2c(CN3CC[N@H+](CCO)[C@@H](C)C3)c(C)nn2-c2ccccc2)cc1 ZINC001308710407 1070422835 /nfs/dbraw/zinc/42/28/35/1070422835.db2.gz UJCVGSCCEKKADR-FQEVSTJZSA-N 1 0 450.583 3.870 20 0 JHADRO COC(=O)c1cc(C[NH2+]C2(C(=O)Nc3ccc(OC)c(OC)c3)CCCC2)n2c1CCCC2 ZINC001308701778 1070421846 /nfs/dbraw/zinc/42/18/46/1070421846.db2.gz OWIVSVKDCMJUDU-UHFFFAOYSA-N 1 0 455.555 3.669 20 0 JHADRO COc1cccc2c1CC[C@H]([NH2+]C[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)C2 ZINC001308716185 1070424279 /nfs/dbraw/zinc/42/42/79/1070424279.db2.gz MEVLYOLUGJJYEL-PXNSSMCTSA-N 1 0 457.537 3.626 20 0 JHADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC001308732716 1070428316 /nfs/dbraw/zinc/42/83/16/1070428316.db2.gz TYWJYVJHNHKFTN-MJGOQNOKSA-N 1 0 457.434 3.541 20 0 JHADRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC001308735151 1070428320 /nfs/dbraw/zinc/42/83/20/1070428320.db2.gz MCFFFAIPTIHFRO-RXVVDRJESA-N 1 0 451.537 3.837 20 0 JHADRO CCOC1CC(C[NH2+][C@@H](C)C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)(N2CCOCC2)C1 ZINC001308720376 1070425266 /nfs/dbraw/zinc/42/52/66/1070425266.db2.gz LMUOPFLXRWAWCP-GFOXRHNOSA-N 1 0 453.668 3.804 20 0 JHADRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC001308718396 1070425293 /nfs/dbraw/zinc/42/52/93/1070425293.db2.gz AWZOYNBARYGAIK-CYFREDJKSA-N 1 0 458.562 3.945 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(F)(F)F)cc2)C[C@H]1CC ZINC001314499249 1070426169 /nfs/dbraw/zinc/42/61/69/1070426169.db2.gz BJRFIRYEFOCSAG-TZIWHRDSSA-N 1 0 481.563 3.786 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC)n2Cc2ccccc2-n2nc(C)cc2C)C[C@@H]1CC ZINC001314499424 1070427364 /nfs/dbraw/zinc/42/73/64/1070427364.db2.gz KGTCJOATDMHERZ-QHCPKHFHSA-N 1 0 465.646 3.628 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(C3CCC3)n2Cc2cccc(C[N@H+](C)CC)c2)C1 ZINC001313464607 1070428967 /nfs/dbraw/zinc/42/89/67/1070428967.db2.gz SZBADAPSCUYAOK-HSZRJFAPSA-N 1 0 452.647 3.788 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC2CC(F)(F)C2)C[C@H]1CC ZINC001314500326 1070430759 /nfs/dbraw/zinc/43/07/59/1070430759.db2.gz SOPQYDHAXGJQHD-HXUWFJFHSA-N 1 0 465.564 3.990 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cccc(F)c2)C[C@H]1CC ZINC001314500540 1070431449 /nfs/dbraw/zinc/43/14/49/1070431449.db2.gz JPVHQKJGKYACDL-DHIUTWEWSA-N 1 0 459.610 3.839 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cccc(F)c2)C[C@H]1CC ZINC001314500542 1070431745 /nfs/dbraw/zinc/43/17/45/1070431745.db2.gz JPVHQKJGKYACDL-PKTZIBPZSA-N 1 0 459.610 3.839 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001313465186 1070432027 /nfs/dbraw/zinc/43/20/27/1070432027.db2.gz GHMFMLRDCPKSQN-FGZHOGPDSA-N 1 0 482.673 3.961 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2CC2)C[C@@H]1CC ZINC001314501621 1070433899 /nfs/dbraw/zinc/43/38/99/1070433899.db2.gz QPWHQWJPPAWHJS-QFIPXVFZSA-N 1 0 490.693 3.740 20 0 JHADRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(F)cc3I)CC23CCOCC3)cn1 ZINC001308774660 1070435664 /nfs/dbraw/zinc/43/56/64/1070435664.db2.gz RTXAZPDTBHBOQV-KRWDZBQOSA-N 1 0 455.315 3.560 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001313466177 1070437123 /nfs/dbraw/zinc/43/71/23/1070437123.db2.gz KVCXUVMYMDNBKS-RTBURBONSA-N 1 0 459.038 3.825 20 0 JHADRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC001308762925 1070433480 /nfs/dbraw/zinc/43/34/80/1070433480.db2.gz VTFZBLRNGNYQJL-CYBMUJFWSA-N 1 0 452.292 3.569 20 0 JHADRO CCOc1cc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)ccc1OCc1ccc(C(=O)OC)o1 ZINC001308797816 1070439583 /nfs/dbraw/zinc/43/95/83/1070439583.db2.gz JMADSNVYIBLMEX-NTKDMRAZSA-N 1 0 453.491 3.628 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CF)C[C@@H]1CC ZINC001314503455 1070439911 /nfs/dbraw/zinc/43/99/11/1070439911.db2.gz QQUXPCNWBVVXTP-JRSUCEMESA-N 1 0 494.656 3.516 20 0 JHADRO C[C@H]([NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001308841567 1070445818 /nfs/dbraw/zinc/44/58/18/1070445818.db2.gz SRMHPCGBMJKJAR-YSIASYRMSA-N 1 0 453.668 3.958 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC001313468378 1070447463 /nfs/dbraw/zinc/44/74/63/1070447463.db2.gz LOEOEYJTWVGZEU-UHFFFAOYSA-N 1 0 476.735 3.896 20 0 JHADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC001308861644 1070450808 /nfs/dbraw/zinc/45/08/08/1070450808.db2.gz CDPZPBCOWYUQEB-ACWOFJMJSA-N 1 0 456.370 3.621 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[NH+]2CCCC2)C1 ZINC001314506432 1070451613 /nfs/dbraw/zinc/45/16/13/1070451613.db2.gz XKEOYVDZPAESNT-FQEVSTJZSA-N 1 0 492.462 3.744 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001314506883 1070453688 /nfs/dbraw/zinc/45/36/88/1070453688.db2.gz SZXJHXNEIOYFPD-LUKWVAJMSA-N 1 0 477.694 3.908 20 0 JHADRO COCCNS(=O)(=O)c1cccc(NC[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001308887217 1070454892 /nfs/dbraw/zinc/45/48/92/1070454892.db2.gz UFBDWAODGQQLIH-VWLOTQADSA-N 1 0 459.656 3.962 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC[N@H+](C)C(C)C)CC1 ZINC001313470280 1070456371 /nfs/dbraw/zinc/45/63/71/1070456371.db2.gz MZQJMKSWWGBZBZ-UHFFFAOYSA-N 1 0 451.619 3.509 20 0 JHADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC001308904087 1070456428 /nfs/dbraw/zinc/45/64/28/1070456428.db2.gz NYNUHMRFDQYMAU-HSZRJFAPSA-N 1 0 453.612 3.538 20 0 JHADRO COCCC1([NH2+]Cc2ccnc3c(C(=O)OC)cccc23)CCN(C(=O)OC(C)(C)C)CC1 ZINC001308910450 1070458244 /nfs/dbraw/zinc/45/82/44/1070458244.db2.gz FYNAGHPMIGJNBW-UHFFFAOYSA-N 1 0 457.571 3.917 20 0 JHADRO COC(=O)[C@H]1C[N@H+](Cc2cc3nc(Cl)ccc3s2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001308956103 1070465335 /nfs/dbraw/zinc/46/53/35/1070465335.db2.gz FPXICCWFCRMKSY-CQSZACIVSA-N 1 0 451.976 3.792 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001313472204 1070465755 /nfs/dbraw/zinc/46/57/55/1070465755.db2.gz JNWHXFFCNWZGEQ-PKTZIBPZSA-N 1 0 480.701 3.926 20 0 JHADRO COC(=O)c1ccc(COc2ccc(C[NH+]3CCC(CO)(C(F)(F)F)CC3)cc2OC)o1 ZINC001308961520 1070466812 /nfs/dbraw/zinc/46/68/12/1070466812.db2.gz WKCLMKBXDNSHBB-UHFFFAOYSA-N 1 0 457.445 3.791 20 0 JHADRO CC(C)(C)OC(=O)N(CCO)[C@H]1CCC[N@H+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001308989076 1070471653 /nfs/dbraw/zinc/47/16/53/1070471653.db2.gz ZJPKBJMDTQUQNN-YADARESESA-N 1 0 455.640 3.717 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001313474934 1070473845 /nfs/dbraw/zinc/47/38/45/1070473845.db2.gz OLWSJFKIGRXGKL-UHFFFAOYSA-N 1 0 488.627 3.764 20 0 JHADRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1cc(Br)c(F)cc1OC ZINC001309021068 1070488335 /nfs/dbraw/zinc/48/83/35/1070488335.db2.gz NXPPDGZFUUYAHG-UHFFFAOYSA-N 1 0 459.381 3.917 20 0 JHADRO CCCNC(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001313479304 1070490959 /nfs/dbraw/zinc/49/09/59/1070490959.db2.gz RIRTWBVZLCSOMG-UHFFFAOYSA-N 1 0 477.657 3.966 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314516585 1070491965 /nfs/dbraw/zinc/49/19/65/1070491965.db2.gz KKXRLQSHIQUXSR-NZQKXSOJSA-N 1 0 484.670 3.678 20 0 JHADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c(F)cccc1Br)c1cccc(OC)c1 ZINC001309026130 1070492808 /nfs/dbraw/zinc/49/28/08/1070492808.db2.gz PGEUOXKJDOBOAE-GOSISDBHSA-N 1 0 459.381 3.958 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314519104 1070501346 /nfs/dbraw/zinc/50/13/46/1070501346.db2.gz SPNJDQKZDUVHAN-FHWLQOOXSA-N 1 0 482.094 3.978 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001314519583 1070501696 /nfs/dbraw/zinc/50/16/96/1070501696.db2.gz PSMUXYRNNGGJAS-HXUWFJFHSA-N 1 0 484.670 3.567 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001314519582 1070501752 /nfs/dbraw/zinc/50/17/52/1070501752.db2.gz PSMUXYRNNGGJAS-FQEVSTJZSA-N 1 0 484.670 3.567 20 0 JHADRO CCCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001313485956 1070502570 /nfs/dbraw/zinc/50/25/70/1070502570.db2.gz AAKXREIEIYTOIL-GOTSBHOMSA-N 1 0 482.673 3.873 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)Cc3cccc4cccnc43)CC2)c1 ZINC001309049375 1070507746 /nfs/dbraw/zinc/50/77/46/1070507746.db2.gz BOCCMCZWGUJMNA-UHFFFAOYSA-N 1 0 452.624 3.565 20 0 JHADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001309064262 1070517365 /nfs/dbraw/zinc/51/73/65/1070517365.db2.gz SCSFRWIIQTVESS-KBPBESRZSA-N 1 0 451.402 3.633 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@](C)(C(=O)NC)C3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1OC ZINC001313502660 1070529558 /nfs/dbraw/zinc/52/95/58/1070529558.db2.gz KORAWWPOQWPYTF-IDISGSTGSA-N 1 0 498.672 3.579 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2NC(=O)CC2(C)C)cc1OC ZINC001313503985 1070536325 /nfs/dbraw/zinc/53/63/25/1070536325.db2.gz GLXVQNFQSFAJIM-HSZRJFAPSA-N 1 0 498.672 3.624 20 0 JHADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001309099972 1070539986 /nfs/dbraw/zinc/53/99/86/1070539986.db2.gz LHOCWTIYWYQQPY-DOTOQJQBSA-N 1 0 453.402 3.880 20 0 JHADRO C[NH+]1CCC2(CC1)C[C@@H](NS(=O)(=O)c1cc(F)ccc1OC(F)F)c1ccccc1O2 ZINC001309102046 1070541172 /nfs/dbraw/zinc/54/11/72/1070541172.db2.gz UWOHWVLDVFWSMN-MRXNPFEDSA-N 1 0 456.486 3.694 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCO[C@H](c4nccs4)C3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001313505785 1070545530 /nfs/dbraw/zinc/54/55/30/1070545530.db2.gz RTSKJIPUQPNDLN-UTKZUKDTSA-N 1 0 486.642 3.727 20 0 JHADRO COc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cnc1Cl ZINC001309127927 1070553717 /nfs/dbraw/zinc/55/37/17/1070553717.db2.gz SLUVMGCRVYSRSV-UHFFFAOYSA-N 1 0 451.898 3.515 20 0 JHADRO 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CCCO[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001313520578 1070586379 /nfs/dbraw/zinc/58/63/79/1070586379.db2.gz CUOCEIGGOBNDGI-JOCHJYFZSA-N 1 0 489.686 3.620 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001313520579 1070586435 /nfs/dbraw/zinc/58/64/35/1070586435.db2.gz CUOCEIGGOBNDGI-QFIPXVFZSA-N 1 0 489.686 3.620 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001313521957 1070590858 /nfs/dbraw/zinc/59/08/58/1070590858.db2.gz QNGIOHKTHVWEQY-YADHBBJMSA-N 1 0 489.686 3.618 20 0 JHADRO CCCOc1ncccc1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313522766 1070593001 /nfs/dbraw/zinc/59/30/01/1070593001.db2.gz XZJKMSHZKHKSBZ-UHFFFAOYSA-N 1 0 452.578 3.771 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001313525758 1070599550 /nfs/dbraw/zinc/59/95/50/1070599550.db2.gz LIGNSAUACFKLDU-NRFANRHFSA-N 1 0 483.661 3.833 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCCC2)CC1 ZINC001313525423 1070599049 /nfs/dbraw/zinc/59/90/49/1070599049.db2.gz JIXBAKGZMHLYOX-NRFANRHFSA-N 1 0 469.634 3.587 20 0 JHADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1Cl ZINC001309203256 1070604660 /nfs/dbraw/zinc/60/46/60/1070604660.db2.gz WCEDXVMIGPJSOG-FUHWJXTLSA-N 1 0 450.988 3.800 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)n1 ZINC001314585585 1070605988 /nfs/dbraw/zinc/60/59/88/1070605988.db2.gz YZEBRDVTLVRQNX-ROUUACIJSA-N 1 0 477.679 3.880 20 0 JHADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC001309219085 1070618200 /nfs/dbraw/zinc/61/82/00/1070618200.db2.gz MIAIIKMZLNMJDU-IFXJQAMLSA-N 1 0 457.017 3.940 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314595531 1070635925 /nfs/dbraw/zinc/63/59/25/1070635925.db2.gz NLGKVZCTNHJWBM-CLAROIROSA-N 1 0 497.775 3.803 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@H](CO)c2ccccc2)cc1 ZINC001309241833 1070637524 /nfs/dbraw/zinc/63/75/24/1070637524.db2.gz BVPAHXZHORLUHJ-KWXIBIRDSA-N 1 0 464.631 3.659 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)Cc1cccc(F)c1Br ZINC001309247769 1070643325 /nfs/dbraw/zinc/64/33/25/1070643325.db2.gz BSSUKTUDECFAIK-KXBFYZLASA-N 1 0 455.393 3.918 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(C2CCC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001313545185 1070648535 /nfs/dbraw/zinc/64/85/35/1070648535.db2.gz DTZIESJZWRDSND-WOJBJXKFSA-N 1 0 490.693 3.881 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001313544984 1070647266 /nfs/dbraw/zinc/64/72/66/1070647266.db2.gz RPIKREKWMVIIGA-FQEVSTJZSA-N 1 0 490.693 3.882 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001314602956 1070657269 /nfs/dbraw/zinc/65/72/69/1070657269.db2.gz HVHONCFFBAPPOE-NJYVYQBISA-N 1 0 474.650 3.783 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313547241 1070658979 /nfs/dbraw/zinc/65/89/79/1070658979.db2.gz VZCZTMMJZLDDFR-RTWAWAEBSA-N 1 0 478.682 3.738 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001313549114 1070664340 /nfs/dbraw/zinc/66/43/40/1070664340.db2.gz WITVJWUXVUMCFI-JOCHJYFZSA-N 1 0 452.647 3.786 20 0 JHADRO O=S(=O)(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1c(Cl)ccnc1Cl ZINC001309282431 1070666883 /nfs/dbraw/zinc/66/68/83/1070666883.db2.gz DTACFIQHMLQHHU-UHFFFAOYSA-N 1 0 458.411 3.738 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)[C@H](OC)C2)c1 ZINC001313573196 1070687639 /nfs/dbraw/zinc/68/76/39/1070687639.db2.gz CXRHGHYBSVNUCC-DENIHFKCSA-N 1 0 496.681 3.631 20 0 JHADRO CCSCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001314614354 1070683150 /nfs/dbraw/zinc/68/31/50/1070683150.db2.gz LQGFNVNTCSEJSW-UHFFFAOYSA-N 1 0 459.660 3.646 20 0 JHADRO CCSCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001314614335 1070683173 /nfs/dbraw/zinc/68/31/73/1070683173.db2.gz LDHHACGBVWZGPN-LJQANCHMSA-N 1 0 489.686 3.795 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(C[N@H+](C)CC)c3)CCO2)cn1 ZINC001313575931 1070691847 /nfs/dbraw/zinc/69/18/47/1070691847.db2.gz VYOUJTOGBGMUPD-HSZRJFAPSA-N 1 0 465.646 3.870 20 0 JHADRO CCSCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314619420 1070695303 /nfs/dbraw/zinc/69/53/03/1070695303.db2.gz BMHKDZYEZCUWSD-UHFFFAOYSA-N 1 0 455.676 3.970 20 0 JHADRO CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@@H+]1C1CCCCC1)C1CCCCC1 ZINC001313579143 1070697781 /nfs/dbraw/zinc/69/77/81/1070697781.db2.gz WFUDWLDANAUMDP-SIKLNZKXSA-N 1 0 480.723 3.844 20 0 JHADRO CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001313587178 1070712453 /nfs/dbraw/zinc/71/24/53/1070712453.db2.gz BZBZWRZKQWFJQQ-OYRHEFFESA-N 1 0 465.650 3.914 20 0 JHADRO CCOCCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001309341908 1070710405 /nfs/dbraw/zinc/71/04/05/1070710405.db2.gz ICEFBJPYFGQTJL-IEZKXTBUSA-N 1 0 458.624 3.681 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001314624970 1070711135 /nfs/dbraw/zinc/71/11/35/1070711135.db2.gz KGTAONNFSSJZRW-LJQANCHMSA-N 1 0 474.675 3.860 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001314624963 1070711197 /nfs/dbraw/zinc/71/11/97/1070711197.db2.gz KEWHXDXMKFCZLA-CJFMBICVSA-N 1 0 492.734 3.894 20 0 JHADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@H]2CCCC[C@H]2O)cc1 ZINC001309359542 1070721903 /nfs/dbraw/zinc/72/19/03/1070721903.db2.gz ZYUCKSWELSUFMI-XDZVQPMWSA-N 1 0 456.652 3.776 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313588006 1070714638 /nfs/dbraw/zinc/71/46/38/1070714638.db2.gz OUCYLXWIPJFHPM-PKOBYXMFSA-N 1 0 498.068 3.871 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1[N@H+](C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313588234 1070715255 /nfs/dbraw/zinc/71/52/55/1070715255.db2.gz RWEGGQAPRQWHRA-YLJYHZDGSA-N 1 0 498.068 3.871 20 0 JHADRO CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC001313589112 1070716655 /nfs/dbraw/zinc/71/66/55/1070716655.db2.gz LYSGUEVCDRFJNV-JOCHJYFZSA-N 1 0 478.435 3.552 20 0 JHADRO C[C@H]1C[N@H+](CCOc2ccc(CCNS(=O)(=O)Cc3ccc(F)cc3F)cc2)C[C@H]1C ZINC001309355693 1070718380 /nfs/dbraw/zinc/71/83/80/1070718380.db2.gz JCJCCLWIMXJAKE-HDICACEKSA-N 1 0 452.567 3.594 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCCCCC2)CC1 ZINC001314627291 1070719882 /nfs/dbraw/zinc/71/98/82/1070719882.db2.gz WXBMVELVBBMRRS-UHFFFAOYSA-N 1 0 488.627 3.718 20 0 JHADRO CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001313596768 1070722120 /nfs/dbraw/zinc/72/21/20/1070722120.db2.gz ROKUNSVBGDYBJW-FQEVSTJZSA-N 1 0 461.680 3.593 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(CC(C)(C)C)nnc1N(C)Cc1cc2ccccc2[nH]1 ZINC001314628539 1070724868 /nfs/dbraw/zinc/72/48/68/1070724868.db2.gz KALUCYMAOKLUCU-QHCPKHFHSA-N 1 0 479.673 3.927 20 0 JHADRO CCN(c1nnc(Cn2nc(C)cc2C)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)C1CCC1 ZINC001313617603 1070741710 /nfs/dbraw/zinc/74/17/10/1070741710.db2.gz NOYQHBGTIFGYRF-BHIFYINESA-N 1 0 457.667 3.654 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001309402384 1070749048 /nfs/dbraw/zinc/74/90/48/1070749048.db2.gz GYZOGARJAGKHFP-RTWAWAEBSA-N 1 0 451.633 3.533 20 0 JHADRO CCN(c1nnc(COc2ccccc2OC)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC001313619345 1070745331 /nfs/dbraw/zinc/74/53/31/1070745331.db2.gz TWDFSTGRDATBPE-RTBURBONSA-N 1 0 457.619 3.742 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 ZINC001314647226 1070749364 /nfs/dbraw/zinc/74/93/64/1070749364.db2.gz ODUCHFGTFJBNIA-IBGZPJMESA-N 1 0 459.019 3.665 20 0 JHADRO CN(c1nnc(-c2ccc(Br)s2)n1C[C@H](c1ccco1)[NH+](C)C)[C@@H]1CCOC1 ZINC001314647471 1070750184 /nfs/dbraw/zinc/75/01/84/1070750184.db2.gz BUBXEILQQDIQFZ-ZIAGYGMSSA-N 1 0 466.405 3.890 20 0 JHADRO CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1)C(C)C ZINC001313623504 1070752041 /nfs/dbraw/zinc/75/20/41/1070752041.db2.gz KHHFLAKGSKRTJA-NJYVYQBISA-N 1 0 478.682 3.784 20 0 JHADRO Cn1cccc1-c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314648655 1070753122 /nfs/dbraw/zinc/75/31/22/1070753122.db2.gz MNOFLJKNVNPFRW-YADHBBJMSA-N 1 0 454.594 3.977 20 0 JHADRO Cn1cc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)cn1 ZINC001314649168 1070754758 /nfs/dbraw/zinc/75/47/58/1070754758.db2.gz LGOFOTANBVGTDD-JOCHJYFZSA-N 1 0 469.609 3.905 20 0 JHADRO Cn1cc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H](c2cccs2)[NH+](C)C)cn1 ZINC001314649177 1070754991 /nfs/dbraw/zinc/75/49/91/1070754991.db2.gz LHYRAPVSBWUXTR-WZONZLPQSA-N 1 0 457.648 3.684 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC001314649403 1070755605 /nfs/dbraw/zinc/75/56/05/1070755605.db2.gz AVCKMZQMZDCSJV-RTBURBONSA-N 1 0 488.633 3.562 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1)c1ccc(F)cc1 ZINC001314649769 1070756757 /nfs/dbraw/zinc/75/67/57/1070756757.db2.gz DJSOYCMAXUMMSL-SFTDATJTSA-N 1 0 456.610 3.510 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(N)=O)CC1)C1CCCCC1 ZINC001314649890 1070757451 /nfs/dbraw/zinc/75/74/51/1070757451.db2.gz XXLRXYWXZUJWHD-NRFANRHFSA-N 1 0 459.038 3.811 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCC(CO)CC1)c1ccco1 ZINC001314650320 1070758701 /nfs/dbraw/zinc/75/87/01/1070758701.db2.gz ZUZGAASYZHVSDA-IBGZPJMESA-N 1 0 474.403 3.812 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314653727 1070766423 /nfs/dbraw/zinc/76/64/23/1070766423.db2.gz OHFXWDDPNPGGOX-VXKWHMMOSA-N 1 0 458.695 3.829 20 0 JHADRO CCN(CC(C)C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001313630196 1070761091 /nfs/dbraw/zinc/76/10/91/1070761091.db2.gz HBOCEFWRPQAPCB-UXHICEINSA-N 1 0 490.649 3.965 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)CC2)CCCCC1 ZINC001314651787 1070761860 /nfs/dbraw/zinc/76/18/60/1070761860.db2.gz AQKHBNGFYSWFFR-UHFFFAOYSA-N 1 0 452.647 3.833 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccco1 ZINC001314652748 1070764118 /nfs/dbraw/zinc/76/41/18/1070764118.db2.gz WKVFSZKGLVAJKX-RCCFBDPRSA-N 1 0 471.524 3.616 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CCCCC1 ZINC001314653086 1070764702 /nfs/dbraw/zinc/76/47/02/1070764702.db2.gz KDECACFKGOTHBD-SFHVURJKSA-N 1 0 489.462 3.674 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCCC1 ZINC001314653084 1070764828 /nfs/dbraw/zinc/76/48/28/1070764828.db2.gz KDECACFKGOTHBD-GOSISDBHSA-N 1 0 489.462 3.674 20 0 JHADRO CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCOC1 ZINC001314653287 1070765298 /nfs/dbraw/zinc/76/52/98/1070765298.db2.gz LWSSMQBNNCOREJ-AABGKKOBSA-N 1 0 490.674 3.940 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001314653509 1070765842 /nfs/dbraw/zinc/76/58/42/1070765842.db2.gz ZEDPFUGZSDQXRQ-RBBKRZOGSA-N 1 0 484.645 3.578 20 0 JHADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001309434466 1070767407 /nfs/dbraw/zinc/76/74/07/1070767407.db2.gz WLKOIWJYOOQFHP-FQEVSTJZSA-N 1 0 450.988 3.706 20 0 JHADRO C[NH+](C)C1(Cn2c(C3CCCC3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)CCOCC1 ZINC001314656721 1070775520 /nfs/dbraw/zinc/77/55/20/1070775520.db2.gz NXFPVLDOSSBGSO-UHFFFAOYSA-N 1 0 490.693 3.930 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C2CCCC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001313634747 1070767665 /nfs/dbraw/zinc/76/76/65/1070767665.db2.gz HOVRVQXJPGXIDF-ZJSXRUAMSA-N 1 0 455.647 3.772 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314656785 1070775792 /nfs/dbraw/zinc/77/57/92/1070775792.db2.gz SMHJDKPFIIMBGF-QUCCMNQESA-N 1 0 474.675 3.622 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC001314654864 1070770143 /nfs/dbraw/zinc/77/01/43/1070770143.db2.gz ILAQRHSRIRMKCE-DHIUTWEWSA-N 1 0 460.711 3.678 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1)c1ccsc1 ZINC001314655422 1070772076 /nfs/dbraw/zinc/77/20/76/1070772076.db2.gz QPAWCOKLAJETST-LJQANCHMSA-N 1 0 491.086 3.915 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)C1CCCCC1 ZINC001314657346 1070776137 /nfs/dbraw/zinc/77/61/37/1070776137.db2.gz XXDZKKHTZFQLDS-ZEQRLZLVSA-N 1 0 495.716 3.906 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCCOCC2)CCSC1 ZINC001314657348 1070776209 /nfs/dbraw/zinc/77/62/09/1070776209.db2.gz ACUOXJRFDSQCPN-NRFANRHFSA-N 1 0 468.092 3.888 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccsc1 ZINC001314656535 1070774349 /nfs/dbraw/zinc/77/43/49/1070774349.db2.gz PSEMSQKIALHUCC-FGZHOGPDSA-N 1 0 495.697 3.759 20 0 JHADRO C[NH+](C)C1(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC001314657765 1070777156 /nfs/dbraw/zinc/77/71/56/1070777156.db2.gz FKULBGWJOXJCJU-NRFANRHFSA-N 1 0 498.672 3.877 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CC3CC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCSC1 ZINC001314658138 1070778443 /nfs/dbraw/zinc/77/84/43/1070778443.db2.gz SOHDBBXFQCMMBI-INIZCTEOSA-N 1 0 471.515 3.989 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313638108 1070778591 /nfs/dbraw/zinc/77/85/91/1070778591.db2.gz QDGQDPBMPMSMHU-UHFFFAOYSA-N 1 0 492.672 3.904 20 0 JHADRO C[NH+](C)C1(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H](C(F)F)C2)CCOCC1 ZINC001314658259 1070778936 /nfs/dbraw/zinc/77/89/36/1070778936.db2.gz WOMZBKKXWJWUHC-KRWDZBQOSA-N 1 0 467.536 3.589 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cnccn2)n1CC1([NH+](C)C)CCCCC1 ZINC001313638359 1070779147 /nfs/dbraw/zinc/77/91/47/1070779147.db2.gz HMBKHDNAZUEPEZ-HSZRJFAPSA-N 1 0 463.630 3.868 20 0 JHADRO C[C@@]1(CNS(=O)(=O)CCc2ccccc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC001309455615 1070780402 /nfs/dbraw/zinc/78/04/02/1070780402.db2.gz BAERDYUTQVZAOK-NRFANRHFSA-N 1 0 451.430 3.823 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccccc3F)nnc2N2CCCN(CC(F)(F)F)CC2)CCCC1 ZINC001314659420 1070781708 /nfs/dbraw/zinc/78/17/08/1070781708.db2.gz OFJGTCKVTOEAAX-UHFFFAOYSA-N 1 0 482.570 3.957 20 0 JHADRO CN(C)c1cccnc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001314662676 1070790109 /nfs/dbraw/zinc/79/01/09/1070790109.db2.gz ATJPXQKXNNHRIT-UHFFFAOYSA-N 1 0 468.049 3.952 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCCCCC1 ZINC001313641777 1070787816 /nfs/dbraw/zinc/78/78/16/1070787816.db2.gz ZSOYJAZHHOJVIO-HSZRJFAPSA-N 1 0 491.640 3.670 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001314665069 1070795962 /nfs/dbraw/zinc/79/59/62/1070795962.db2.gz AGJIESGEQLGWRS-UHFFFAOYSA-N 1 0 494.688 3.568 20 0 JHADRO CCN(CC)C(=O)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001313644083 1070796588 /nfs/dbraw/zinc/79/65/88/1070796588.db2.gz RPVXVUPZJBKUMA-HSZRJFAPSA-N 1 0 474.694 3.523 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001314665332 1070796769 /nfs/dbraw/zinc/79/67/69/1070796769.db2.gz AGITVOMKCKMFEA-OAQYLSRUSA-N 1 0 495.697 3.938 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001314665861 1070798380 /nfs/dbraw/zinc/79/83/80/1070798380.db2.gz NJFJPKHOXXBHRX-VWLOTQADSA-N 1 0 480.632 3.941 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(C3CC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001314666961 1070800463 /nfs/dbraw/zinc/80/04/63/1070800463.db2.gz CNXUUPPOJMBBOX-UHFFFAOYSA-N 1 0 454.619 3.759 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C3=NCC(C)(C)S3)CC2)c1 ZINC001314667576 1070802466 /nfs/dbraw/zinc/80/24/66/1070802466.db2.gz PRUNIJXCQIHXFI-UHFFFAOYSA-N 1 0 483.730 3.980 20 0 JHADRO CN(CCN1CCOC(C)(C)C1)c1nnc(C2CCCC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667799 1070802688 /nfs/dbraw/zinc/80/26/88/1070802688.db2.gz UESWFGJMQRHSIH-UHFFFAOYSA-N 1 0 454.663 3.593 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001314668058 1070803205 /nfs/dbraw/zinc/80/32/05/1070803205.db2.gz ZJOBNXSOABJREI-FCHUYYIVSA-N 1 0 484.645 3.733 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(N2CCCN(CC(F)(F)F)CC2)nnc1C(C)(C)C ZINC001314668234 1070804117 /nfs/dbraw/zinc/80/41/17/1070804117.db2.gz BJVZEIUOGXKJGS-UHFFFAOYSA-N 1 0 482.595 3.639 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC=C(Br)C1 ZINC001314668504 1070804742 /nfs/dbraw/zinc/80/47/42/1070804742.db2.gz ISDHZYOBZHLUDQ-UHFFFAOYSA-N 1 0 471.403 3.751 20 0 JHADRO CN(CC1CCCCC1)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001314668693 1070805414 /nfs/dbraw/zinc/80/54/14/1070805414.db2.gz LNWHIHFLRJQDFL-UHFFFAOYSA-N 1 0 468.646 3.519 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001314668644 1070805637 /nfs/dbraw/zinc/80/56/37/1070805637.db2.gz UEAZQYYOPAHIFC-LJQANCHMSA-N 1 0 476.620 3.521 20 0 JHADRO CCN(CC)C(=O)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313646100 1070806474 /nfs/dbraw/zinc/80/64/74/1070806474.db2.gz UPGGCIJWOWPCNA-UHFFFAOYSA-N 1 0 472.653 3.967 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001314669734 1070809829 /nfs/dbraw/zinc/80/98/29/1070809829.db2.gz JNXSGBDAIHVRPZ-OAQYLSRUSA-N 1 0 478.607 3.763 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCCOCC2)CC1 ZINC001314669371 1070807376 /nfs/dbraw/zinc/80/73/76/1070807376.db2.gz CQNQACMMRLCUDV-UHFFFAOYSA-N 1 0 468.690 3.743 20 0 JHADRO Cn1nccc1[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOCC[NH+](C)C)C1 ZINC001314669809 1070808032 /nfs/dbraw/zinc/80/80/32/1070808032.db2.gz DOWWBQCGMWCSHR-JOCHJYFZSA-N 1 0 479.673 3.938 20 0 JHADRO CN(Cc1ccccn1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001314670197 1070810870 /nfs/dbraw/zinc/81/08/70/1070810870.db2.gz DOXGEZQFNGCPAN-HSZRJFAPSA-N 1 0 450.587 3.540 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001314670157 1070811280 /nfs/dbraw/zinc/81/12/80/1070811280.db2.gz IDQAWAGKZFSBRN-UHFFFAOYSA-N 1 0 476.503 3.877 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(N3CC[C@H](NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)cc1 ZINC001314671099 1070813340 /nfs/dbraw/zinc/81/33/40/1070813340.db2.gz KXEMVKMUXSTCCH-FQEVSTJZSA-N 1 0 486.661 3.668 20 0 JHADRO CN(CC(F)(F)F)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001314671381 1070814380 /nfs/dbraw/zinc/81/43/80/1070814380.db2.gz WFIQIXJSUOHUEL-GOSISDBHSA-N 1 0 455.525 3.549 20 0 JHADRO C[NH+](C)CCOCCn1c(C2CC2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001314671537 1070814952 /nfs/dbraw/zinc/81/49/52/1070814952.db2.gz SJPAVAAJPMYYDO-IBGZPJMESA-N 1 0 454.402 3.618 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)C)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001313649933 1070820711 /nfs/dbraw/zinc/82/07/11/1070820711.db2.gz CCAOHBRIDWJOMW-UHFFFAOYSA-N 1 0 461.699 3.573 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001313649931 1070820783 /nfs/dbraw/zinc/82/07/83/1070820783.db2.gz BYZIBWVRJCUNPY-XMMPIXPASA-N 1 0 499.679 3.712 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC001313651724 1070827804 /nfs/dbraw/zinc/82/78/04/1070827804.db2.gz JYLKQAKOFQRLBF-NRFANRHFSA-N 1 0 467.662 3.634 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CCN1CCOCC1(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314677041 1070823082 /nfs/dbraw/zinc/82/30/82/1070823082.db2.gz OTXPBNJZGTVVTG-HSZRJFAPSA-N 1 0 468.690 3.787 20 0 JHADRO CN(c1nnc(-c2ccc(F)cc2Br)n1CC1([NH+](C)C)CCC1)[C@H]1CCOC1 ZINC001314683131 1070837762 /nfs/dbraw/zinc/83/77/62/1070837762.db2.gz WBNPIGWYWHUNDZ-HNNXBMFYSA-N 1 0 452.372 3.556 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001313654389 1070838017 /nfs/dbraw/zinc/83/80/17/1070838017.db2.gz KKAJOUSSDLURAE-QFIPXVFZSA-N 1 0 497.688 3.802 20 0 JHADRO CN(c1nnc(-c2ccc[nH]2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314685856 1070842867 /nfs/dbraw/zinc/84/28/67/1070842867.db2.gz WDQOGKZILURORD-GSTQUKTASA-N 1 0 468.671 3.921 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001313655965 1070847019 /nfs/dbraw/zinc/84/70/19/1070847019.db2.gz BORHSQSMYRRWMJ-UQBPGWFLSA-N 1 0 492.615 3.578 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001313655621 1070845797 /nfs/dbraw/zinc/84/57/97/1070845797.db2.gz RKIAELKREDPFNK-OAQYLSRUSA-N 1 0 494.688 3.664 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001313656092 1070848633 /nfs/dbraw/zinc/84/86/33/1070848633.db2.gz DTOBPJGWPAADGI-IBGZPJMESA-N 1 0 494.640 3.856 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001313656296 1070849533 /nfs/dbraw/zinc/84/95/33/1070849533.db2.gz AUFRNTWJPVMUDE-FGTMMUONSA-N 1 0 461.632 3.679 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001313656683 1070850890 /nfs/dbraw/zinc/85/08/90/1070850890.db2.gz FPAQULVTBLGTPT-BRWVUGGUSA-N 1 0 456.056 3.587 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001313656570 1070851403 /nfs/dbraw/zinc/85/14/03/1070851403.db2.gz JXFJJLMGNXOHCD-AEFFLSMTSA-N 1 0 458.598 3.788 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001313656777 1070851778 /nfs/dbraw/zinc/85/17/78/1070851778.db2.gz LKQFTMNCMDMEMS-WWMYMODYSA-N 1 0 487.580 3.557 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313656752 1070851887 /nfs/dbraw/zinc/85/18/87/1070851887.db2.gz LDAIIWVCNREKEY-BBRMVZONSA-N 1 0 493.372 3.544 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001313657399 1070855475 /nfs/dbraw/zinc/85/54/75/1070855475.db2.gz RADLMWSORGZHJW-GCOVDLRRSA-N 1 0 484.645 3.787 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001313657406 1070855613 /nfs/dbraw/zinc/85/56/13/1070855613.db2.gz RBHPWYKJOIZPMK-IFMALSPDSA-N 1 0 497.688 3.759 20 0 JHADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC001309559016 1070855867 /nfs/dbraw/zinc/85/58/67/1070855867.db2.gz PZOQGQAIOHUGOI-UHFFFAOYSA-N 1 0 451.402 3.874 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H]1C(C)C ZINC001313657579 1070856528 /nfs/dbraw/zinc/85/65/28/1070856528.db2.gz SHOFNBNOKARKCS-QUCCMNQESA-N 1 0 475.707 3.902 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@H]1CCOC1 ZINC001313657889 1070857544 /nfs/dbraw/zinc/85/75/44/1070857544.db2.gz PEZDIEXSFOCVJJ-WMZOPIPTSA-N 1 0 450.425 3.971 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313659711 1070863849 /nfs/dbraw/zinc/86/38/49/1070863849.db2.gz JKDOZGZVDPBXMS-IFMALSPDSA-N 1 0 477.657 3.965 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001313657808 1070857875 /nfs/dbraw/zinc/85/78/75/1070857875.db2.gz VEVHAYNBYVXXJO-XMERXJNXSA-N 1 0 499.635 3.773 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313658060 1070858143 /nfs/dbraw/zinc/85/81/43/1070858143.db2.gz WZTATUQDZNFXMO-PMACEKPBSA-N 1 0 463.630 3.589 20 0 JHADRO CN(c1nnc(Cc2ccccn2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314695294 1070858062 /nfs/dbraw/zinc/85/80/62/1070858062.db2.gz GMEQWHKDJLGFRO-XMMPIXPASA-N 1 0 489.668 3.670 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001313659640 1070863904 /nfs/dbraw/zinc/86/39/04/1070863904.db2.gz ITNRMSQHAFGDNX-FUHWJXTLSA-N 1 0 473.025 3.874 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001313658503 1070859682 /nfs/dbraw/zinc/85/96/82/1070859682.db2.gz ASNWYKYMWODVDU-UGKGYDQZSA-N 1 0 450.635 3.800 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001313658514 1070859756 /nfs/dbraw/zinc/85/97/56/1070859756.db2.gz ATYONWQAZWPQIW-CTNGQTDRSA-N 1 0 451.623 3.524 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H]1CCOC1 ZINC001313659114 1070860757 /nfs/dbraw/zinc/86/07/57/1070860757.db2.gz DUPKPHXKNKYTOL-NVXWUHKLSA-N 1 0 466.424 3.672 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001313659934 1070864386 /nfs/dbraw/zinc/86/43/86/1070864386.db2.gz MVBXEUIQZILQEQ-QFIPXVFZSA-N 1 0 475.641 3.731 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001313659477 1070862879 /nfs/dbraw/zinc/86/28/79/1070862879.db2.gz JXZDSBNVWWGOMN-NRFANRHFSA-N 1 0 467.662 3.689 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001313659479 1070863046 /nfs/dbraw/zinc/86/30/46/1070863046.db2.gz JXZDSBNVWWGOMN-OAQYLSRUSA-N 1 0 467.662 3.689 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313660373 1070865730 /nfs/dbraw/zinc/86/57/30/1070865730.db2.gz RGKHKJZHQPVBHF-AZUAARDMSA-N 1 0 457.623 3.516 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001313661468 1070868311 /nfs/dbraw/zinc/86/83/11/1070868311.db2.gz YUIQUBKATRKZBZ-OAQYLSRUSA-N 1 0 477.657 3.721 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCSC2(CCCCC2)C1 ZINC001313663521 1070872056 /nfs/dbraw/zinc/87/20/56/1070872056.db2.gz FDCKVHJOBOKLGO-HKBOAZHASA-N 1 0 465.708 3.989 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001313661978 1070870058 /nfs/dbraw/zinc/87/00/58/1070870058.db2.gz LSINGEXXVQUTGT-SJORKVTESA-N 1 0 491.562 3.662 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001313661976 1070870132 /nfs/dbraw/zinc/87/01/32/1070870132.db2.gz LSINGEXXVQUTGT-IAGOWNOFSA-N 1 0 491.562 3.662 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC001309593468 1070873729 /nfs/dbraw/zinc/87/37/29/1070873729.db2.gz KIFPUTQNZYQCMG-TZIWHRDSSA-N 1 0 456.530 3.662 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC001309593669 1070873837 /nfs/dbraw/zinc/87/38/37/1070873837.db2.gz MLOOFMDXLYLCPJ-TZIWHRDSSA-N 1 0 472.529 3.542 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)CC1)c1ccco1 ZINC001313665729 1070880832 /nfs/dbraw/zinc/88/08/32/1070880832.db2.gz SNOXPDMHDQFFRS-QHCPKHFHSA-N 1 0 493.656 3.727 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001313664312 1070875706 /nfs/dbraw/zinc/87/57/06/1070875706.db2.gz APWFEZJITPFHAN-JCTONOIOSA-N 1 0 455.647 3.808 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 ZINC001313665866 1070881569 /nfs/dbraw/zinc/88/15/69/1070881569.db2.gz SJVNQOADOOJHPK-NZQKXSOJSA-N 1 0 456.635 3.585 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313664793 1070877732 /nfs/dbraw/zinc/87/77/32/1070877732.db2.gz OMZAQSGFQRRRPD-NHCUHLMSSA-N 1 0 464.655 3.555 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)s1 ZINC001313664886 1070878152 /nfs/dbraw/zinc/87/81/52/1070878152.db2.gz OYZHZUDOXXMRDL-HUUCEWRRSA-N 1 0 456.454 3.973 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(OC)CC1)c1ccccc1 ZINC001313665082 1070878633 /nfs/dbraw/zinc/87/86/33/1070878633.db2.gz OGKQXRNFCNSCFL-KCWPFWIISA-N 1 0 482.673 3.993 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(OC(C)C)CC1 ZINC001313665805 1070881219 /nfs/dbraw/zinc/88/12/19/1070881219.db2.gz RRSHJSODYIUTKI-NRFANRHFSA-N 1 0 484.693 3.576 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1)c1ccccc1 ZINC001313665178 1070878657 /nfs/dbraw/zinc/87/86/57/1070878657.db2.gz PKGMLDKOPUQPDF-DEOSSOPVSA-N 1 0 464.614 3.970 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2cccnc2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001314708714 1070882418 /nfs/dbraw/zinc/88/24/18/1070882418.db2.gz JBQYHIUZBRMQFK-UHFFFAOYSA-N 1 0 489.668 3.527 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2F)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001313666561 1070885149 /nfs/dbraw/zinc/88/51/49/1070885149.db2.gz HAVBWMMITNHMGM-CTNGQTDRSA-N 1 0 459.610 3.979 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)c1ccco1 ZINC001313666797 1070886544 /nfs/dbraw/zinc/88/65/44/1070886544.db2.gz XUKYLYYELIBNAF-LJQANCHMSA-N 1 0 459.639 3.708 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1)c1ccco1 ZINC001313666865 1070886653 /nfs/dbraw/zinc/88/66/53/1070886653.db2.gz YFJPBIBSCOOHQQ-NHCUHLMSSA-N 1 0 465.602 3.821 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1cnn(C)c1)c1ccccc1 ZINC001313666989 1070886848 /nfs/dbraw/zinc/88/68/48/1070886848.db2.gz ZGQOGBOGTFGNTM-XZOQPEGZSA-N 1 0 478.645 3.574 20 0 JHADRO CN(CC(C)(C)C)c1nnc(-c2cc(Br)c[nH]2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314710287 1070887793 /nfs/dbraw/zinc/88/77/93/1070887793.db2.gz RIRPDTQCAGFGAD-KRWDZBQOSA-N 1 0 467.456 3.755 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001313667283 1070889098 /nfs/dbraw/zinc/88/90/98/1070889098.db2.gz KNKVQVJNQINKST-RDPSFJRHSA-N 1 0 464.662 3.843 20 0 JHADRO COCCN1CCC[C@H](NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC001309626188 1070889099 /nfs/dbraw/zinc/88/90/99/1070889099.db2.gz QRGQLWGOQCVLFF-IBGZPJMESA-N 1 0 453.402 3.505 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2ccncc2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001314708372 1070881825 /nfs/dbraw/zinc/88/18/25/1070881825.db2.gz FWHYZMAWQSCMES-UHFFFAOYSA-N 1 0 489.668 3.649 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001313668217 1070891323 /nfs/dbraw/zinc/89/13/23/1070891323.db2.gz OKUZWFFOHVELOY-HKUYNNGSSA-N 1 0 471.581 3.802 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313668302 1070891415 /nfs/dbraw/zinc/89/14/15/1070891415.db2.gz PYOIBFDWFVOXCX-SFHVURJKSA-N 1 0 476.616 3.572 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001313668486 1070891987 /nfs/dbraw/zinc/89/19/87/1070891987.db2.gz QMMSOIIAJKFOQG-MHTWAQMVSA-N 1 0 478.682 3.799 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313668657 1070892977 /nfs/dbraw/zinc/89/29/77/1070892977.db2.gz RFPIOJFQMPUGPT-NHCUHLMSSA-N 1 0 486.661 3.999 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001313671217 1070898589 /nfs/dbraw/zinc/89/85/89/1070898589.db2.gz PAWPECTXEOXFRM-IBGZPJMESA-N 1 0 470.691 3.786 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCNC(=O)C1)c1ccsc1 ZINC001313671893 1070901395 /nfs/dbraw/zinc/90/13/95/1070901395.db2.gz CMHOTIXBUDCZNT-IBGZPJMESA-N 1 0 477.009 3.818 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 ZINC001313671966 1070901530 /nfs/dbraw/zinc/90/15/30/1070901530.db2.gz DVQVXJPRLQXXKI-QFIPXVFZSA-N 1 0 465.646 3.718 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccccc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314714011 1070902559 /nfs/dbraw/zinc/90/25/59/1070902559.db2.gz POSWMNDGCYMWHO-HSZRJFAPSA-N 1 0 468.690 3.860 20 0 JHADRO CN(CC(C)(C)C)c1nnc(Cc2cccnc2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001314713889 1070902723 /nfs/dbraw/zinc/90/27/23/1070902723.db2.gz ROZCIVCMCLLMTA-UHFFFAOYSA-N 1 0 462.642 3.751 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)OC)c1ccco1 ZINC001313673164 1070906615 /nfs/dbraw/zinc/90/66/15/1070906615.db2.gz JSSDUIYQNIMLIE-INIZCTEOSA-N 1 0 451.369 3.720 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314718248 1070910153 /nfs/dbraw/zinc/91/01/53/1070910153.db2.gz CEXZBRUBSLPSIP-UHFFFAOYSA-N 1 0 453.509 3.837 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CC(N)=O)C1)c1ccsc1 ZINC001313673639 1070907964 /nfs/dbraw/zinc/90/79/64/1070907964.db2.gz KNEZXENBCYYTLU-GHTZIAJQSA-N 1 0 469.659 3.520 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1)c1ccco1 ZINC001313673769 1070908706 /nfs/dbraw/zinc/90/87/06/1070908706.db2.gz GNBIERFJPCUZTG-HXUWFJFHSA-N 1 0 487.004 3.513 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(C(C)=O)CC1)c1ccco1 ZINC001313674133 1070910643 /nfs/dbraw/zinc/91/06/43/1070910643.db2.gz NCJBBTQCANQWHP-QHCPKHFHSA-N 1 0 480.613 3.688 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C)C1)c1ccsc1 ZINC001313674514 1070911931 /nfs/dbraw/zinc/91/19/31/1070911931.db2.gz KMNFBPLRBZTRFT-FPOVZHCZSA-N 1 0 457.648 3.509 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(-c2ccccc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314720909 1070916309 /nfs/dbraw/zinc/91/63/09/1070916309.db2.gz GMTQLTHTXDHBBE-UHFFFAOYSA-N 1 0 454.022 3.656 20 0 JHADRO CN(CC(F)(F)F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001314720799 1070916727 /nfs/dbraw/zinc/91/67/27/1070916727.db2.gz VYWOJKAFHOZXFZ-PMACEKPBSA-N 1 0 467.536 3.809 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC)c1ccccc1 ZINC001313677817 1070926768 /nfs/dbraw/zinc/92/67/68/1070926768.db2.gz LYCKIBPQIFUMCD-LEWJYISDSA-N 1 0 488.633 3.667 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC(C)(C)OC[C@@H]1C)c1ccco1 ZINC001313681540 1070940358 /nfs/dbraw/zinc/94/03/58/1070940358.db2.gz XAEFLDZJRSCVBR-FPOVZHCZSA-N 1 0 452.603 3.944 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1C(C)C)c1ccccc1 ZINC001313680301 1070938494 /nfs/dbraw/zinc/93/84/94/1070938494.db2.gz TUGGZSMYCMJUBW-DNVJHFABSA-N 1 0 473.687 3.888 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314726690 1070935094 /nfs/dbraw/zinc/93/50/94/1070935094.db2.gz SSDQZCKIKGMUNE-KRWDZBQOSA-N 1 0 476.423 3.791 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)NC)CC1)c1ccsc1 ZINC001313681729 1070941110 /nfs/dbraw/zinc/94/11/10/1070941110.db2.gz YMRCIDKTSZBXFD-HXUWFJFHSA-N 1 0 487.699 3.536 20 0 JHADRO CN(Cc1ccc(C(N)=O)cc1)c1nnc(CC2CCCC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314728369 1070941234 /nfs/dbraw/zinc/94/12/34/1070941234.db2.gz SCSAMFBHMPAYCF-OAQYLSRUSA-N 1 0 450.587 3.642 20 0 JHADRO CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001313682463 1070942721 /nfs/dbraw/zinc/94/27/21/1070942721.db2.gz JQTMKLIIDYUZLL-QGZVFWFLSA-N 1 0 468.415 3.930 20 0 JHADRO CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001313682582 1070943530 /nfs/dbraw/zinc/94/35/30/1070943530.db2.gz OVKSRYNZYVSTRS-LJQANCHMSA-N 1 0 495.441 3.636 20 0 JHADRO CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001313687826 1070947498 /nfs/dbraw/zinc/94/74/98/1070947498.db2.gz DCOZARDWHGHGJI-IFMALSPDSA-N 1 0 486.661 3.953 20 0 JHADRO CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001313688074 1070947525 /nfs/dbraw/zinc/94/75/25/1070947525.db2.gz HMYWZGRJFAMSMY-RTBURBONSA-N 1 0 464.655 3.553 20 0 JHADRO CCn1cnnc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001313691432 1070950698 /nfs/dbraw/zinc/95/06/98/1070950698.db2.gz LVELBLGUTUZVDD-GOSISDBHSA-N 1 0 470.597 3.528 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001313691471 1070950766 /nfs/dbraw/zinc/95/07/66/1070950766.db2.gz NAGKLHKRKGXWOE-NDEPHWFRSA-N 1 0 499.700 3.905 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)COC)CC1 ZINC001313693214 1070954046 /nfs/dbraw/zinc/95/40/46/1070954046.db2.gz AUAFYTAVJOVCAV-UHFFFAOYSA-N 1 0 457.619 3.700 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1ccc(F)c(Br)c1F ZINC001309754407 1070954304 /nfs/dbraw/zinc/95/43/04/1070954304.db2.gz RYANBAXIEKYCHY-DZGCQCFKSA-N 1 0 459.356 3.774 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(F)cn2)CC1 ZINC001313693739 1070955347 /nfs/dbraw/zinc/95/53/47/1070955347.db2.gz FSVXLFMPFQKPMN-UHFFFAOYSA-N 1 0 468.577 3.855 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C3CCCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001313695058 1070958871 /nfs/dbraw/zinc/95/88/71/1070958871.db2.gz LFHXFIGFZNCZNO-NRFANRHFSA-N 1 0 470.637 3.730 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 ZINC001313694272 1070956721 /nfs/dbraw/zinc/95/67/21/1070956721.db2.gz FPBQNEPAKMVEPA-DHLKQENFSA-N 1 0 459.635 3.948 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CC3CCCC3)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001313694590 1070957442 /nfs/dbraw/zinc/95/74/42/1070957442.db2.gz WCRGMRIMUXESFS-UHFFFAOYSA-N 1 0 466.674 3.980 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001313695105 1070959335 /nfs/dbraw/zinc/95/93/35/1070959335.db2.gz LZCRGVQVRRHHJI-LJQANCHMSA-N 1 0 460.589 3.715 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CC(C)C)n2Cc2ccnc(OC3CCOCC3)c2)CC1 ZINC001313695103 1070959376 /nfs/dbraw/zinc/95/93/76/1070959376.db2.gz LXYGJSILOSXWPW-UHFFFAOYSA-N 1 0 470.662 3.788 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)C(C)C)CC1 ZINC001313695223 1070959515 /nfs/dbraw/zinc/95/95/15/1070959515.db2.gz PAMMBPNYBMRKCB-UHFFFAOYSA-N 1 0 465.650 3.914 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2)CC1 ZINC001313695684 1070960695 /nfs/dbraw/zinc/96/06/95/1070960695.db2.gz ANSNVPWXAAFWJV-UHFFFAOYSA-N 1 0 452.628 3.629 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001313695647 1070960771 /nfs/dbraw/zinc/96/07/71/1070960771.db2.gz DBKLIMZNVYOPSP-NRFANRHFSA-N 1 0 489.064 3.832 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCSC)CC1 ZINC001313695913 1070961271 /nfs/dbraw/zinc/96/12/71/1070961271.db2.gz RVGMEFNFZASUQE-FQEVSTJZSA-N 1 0 496.722 3.650 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC2CCOCC2)CC1 ZINC001313697183 1070965232 /nfs/dbraw/zinc/96/52/32/1070965232.db2.gz LSZTZVPQOSTOOD-UHFFFAOYSA-N 1 0 477.053 3.890 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccn(C)n2)CC1 ZINC001313697309 1070965917 /nfs/dbraw/zinc/96/59/17/1070965917.db2.gz LSFLXIFUQMJOJE-UHFFFAOYSA-N 1 0 451.619 3.566 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OC(C)C)CC1 ZINC001313697354 1070965943 /nfs/dbraw/zinc/96/59/43/1070965943.db2.gz NAAQPVAODVAOIQ-UHFFFAOYSA-N 1 0 468.646 3.547 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001313698273 1070970138 /nfs/dbraw/zinc/97/01/38/1070970138.db2.gz WFPPNQLWMXQXAS-RUZDIDTESA-N 1 0 459.635 3.680 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc3sccc3c2)CC1 ZINC001313698402 1070970186 /nfs/dbraw/zinc/97/01/86/1070970186.db2.gz AVXHZJDFNDONTA-UHFFFAOYSA-N 1 0 468.671 3.730 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001313698268 1070970319 /nfs/dbraw/zinc/97/03/19/1070970319.db2.gz WFCZWNJPHYHQSQ-IBGZPJMESA-N 1 0 461.054 3.630 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CC2(C)CCCC2)CC1 ZINC001313699048 1070972446 /nfs/dbraw/zinc/97/24/46/1070972446.db2.gz RMRJYNQXUCCJBB-UHFFFAOYSA-N 1 0 482.673 3.736 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CC=CCC2)CC1 ZINC001313699483 1070974124 /nfs/dbraw/zinc/97/41/24/1070974124.db2.gz ZRHWGFQIHHIXFQ-QHCPKHFHSA-N 1 0 480.657 3.512 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC001313699614 1070974748 /nfs/dbraw/zinc/97/47/48/1070974748.db2.gz DNPKPMFWSOBZDN-LAUBAEHRSA-N 1 0 489.546 3.781 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@](C)(C(C)(C)C)C2)c1 ZINC001313699891 1070975336 /nfs/dbraw/zinc/97/53/36/1070975336.db2.gz KFPZERIQYZTESC-MHZLTWQESA-N 1 0 484.689 3.948 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)c2ncc(C)s2)CC1 ZINC001313700149 1070976080 /nfs/dbraw/zinc/97/60/80/1070976080.db2.gz AJGUTMZLGQFRFL-LMNJBCLMSA-N 1 0 476.691 3.881 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001313700369 1070976769 /nfs/dbraw/zinc/97/67/69/1070976769.db2.gz WNMWHWWBKOFPED-JYFHCDHNSA-N 1 0 496.700 3.695 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CCSC(C)(C)C2)c1 ZINC001313700753 1070978041 /nfs/dbraw/zinc/97/80/41/1070978041.db2.gz ZTPDGQCHTCZZFV-UHFFFAOYSA-N 1 0 451.644 3.957 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001313701701 1070981272 /nfs/dbraw/zinc/98/12/72/1070981272.db2.gz JRJCDVMALBOMHV-FQEVSTJZSA-N 1 0 456.635 3.663 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2ccnn2)C1 ZINC001313701851 1070982048 /nfs/dbraw/zinc/98/20/48/1070982048.db2.gz KMQZWFFEMXJXAU-QGZVFWFLSA-N 1 0 460.989 3.588 20 0 JHADRO CN(Cc1cccc(C(N)=O)c1)c1nnc(Cc2cccnc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314742850 1070983009 /nfs/dbraw/zinc/98/30/09/1070983009.db2.gz VIIBVXFYSRWKIT-XMMPIXPASA-N 1 0 475.641 3.510 20 0 JHADRO CN(Cc1cccc(OC(F)F)c1)c1nnc([C@@H]2CCCCO2)n1CC[NH+]1CCSCC1 ZINC001314743197 1070983644 /nfs/dbraw/zinc/98/36/44/1070983644.db2.gz JAUHPVMVDREUDH-IBGZPJMESA-N 1 0 467.586 3.806 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]3OC(=O)O[C@H]3C2)cc1 ZINC001313702463 1070984181 /nfs/dbraw/zinc/98/41/81/1070984181.db2.gz ASHANTDAAIGEEZ-SFTDATJTSA-N 1 0 455.603 3.871 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2(O)CCOCC2)C1 ZINC001313702332 1070984239 /nfs/dbraw/zinc/98/42/39/1070984239.db2.gz ORULMDAYXXFUHU-IBGZPJMESA-N 1 0 492.064 3.707 20 0 JHADRO CN(Cc1cccc(OC(F)F)c1)c1nnc(-c2ccccn2)n1CC1([NH+](C)C)CCOCC1 ZINC001314743462 1070984271 /nfs/dbraw/zinc/98/42/71/1070984271.db2.gz POJXTBDZARSDDE-UHFFFAOYSA-N 1 0 472.540 3.689 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2cnn(C)c2)C1 ZINC001313703576 1070987487 /nfs/dbraw/zinc/98/74/87/1070987487.db2.gz ZABCSUZEXDEAGH-IBGZPJMESA-N 1 0 457.026 3.528 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCCN(CC(F)(F)F)CC2)cc1 ZINC001313704291 1070989751 /nfs/dbraw/zinc/98/97/51/1070989751.db2.gz KIDGTQWJDOOCIY-JOCHJYFZSA-N 1 0 494.606 3.747 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCCN(C(=O)C(C)C)CC2)c1 ZINC001313704433 1070990472 /nfs/dbraw/zinc/99/04/72/1070990472.db2.gz VZZJYVAZWILYKZ-XMMPIXPASA-N 1 0 482.673 3.714 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001313704590 1070991084 /nfs/dbraw/zinc/99/10/84/1070991084.db2.gz KLEAHRHZCSZEPW-UHFFFAOYSA-N 1 0 475.641 3.535 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001313705426 1070993794 /nfs/dbraw/zinc/99/37/94/1070993794.db2.gz SAGRXUJLUFSMDI-JOCHJYFZSA-N 1 0 467.618 3.636 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)C)n2C[C@H](c2cccs2)N2CCOCC2)C1 ZINC001313707443 1070998144 /nfs/dbraw/zinc/99/81/44/1070998144.db2.gz NREAQABTDTUCCL-LEWJYISDSA-N 1 0 460.692 3.705 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001313706591 1070996305 /nfs/dbraw/zinc/99/63/05/1070996305.db2.gz CURPULQWFDCZGH-LJQANCHMSA-N 1 0 491.562 3.836 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001313706288 1070996314 /nfs/dbraw/zinc/99/63/14/1070996314.db2.gz ZYHZITXQCWCACS-HSZRJFAPSA-N 1 0 480.682 3.783 20 0 JHADRO C[N@@H+](Cc1ccccc1)CC1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NCC(F)(F)F)CC1 ZINC001314748236 1070996999 /nfs/dbraw/zinc/99/69/99/1070996999.db2.gz CIZHRAFPLMUKOR-UHFFFAOYSA-N 1 0 494.606 3.894 20 0 JHADRO CCN(CCn1c(-c2cccn2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1)C(=O)OC(C)(C)C ZINC001313707068 1070997546 /nfs/dbraw/zinc/99/75/46/1070997546.db2.gz JHCWFAZETLMNFI-HXUWFJFHSA-N 1 0 473.666 3.709 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCCO2)C1 ZINC001313708021 1070999485 /nfs/dbraw/zinc/99/94/85/1070999485.db2.gz QNBQEOIGEHLFJV-FYYLOGMGSA-N 1 0 468.646 3.884 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)c(C)c2)C1 ZINC001313708768 1071000532 /nfs/dbraw/zinc/00/05/32/1071000532.db2.gz ZDMXUQPDAJCFCY-FQEVSTJZSA-N 1 0 465.577 3.589 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCCCC2=O)C1 ZINC001313708922 1071001202 /nfs/dbraw/zinc/00/12/02/1071001202.db2.gz DDNJZBBPHUDEII-WMTXJRDZSA-N 1 0 488.721 3.767 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCn2cc(Br)cn2)C1 ZINC001313709056 1071001241 /nfs/dbraw/zinc/00/12/41/1071001241.db2.gz CADJAWDUGLTCFU-ICSRJNTNSA-N 1 0 494.482 3.737 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001313710116 1071003752 /nfs/dbraw/zinc/00/37/52/1071003752.db2.gz BZAJRBPVGQJRDS-GOSISDBHSA-N 1 0 495.441 3.684 20 0 JHADRO O=S(=O)(c1cccc(Br)c1F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001309872430 1071002053 /nfs/dbraw/zinc/00/20/53/1071002053.db2.gz VTWQGZFYMNCIMV-SJORKVTESA-N 1 0 453.377 3.731 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCO2)C1 ZINC001313709541 1071002637 /nfs/dbraw/zinc/00/26/37/1071002637.db2.gz NIFMJDJCWMHQGS-CZYKHXBRSA-N 1 0 490.693 3.786 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)c2c(C)noc2C)C1 ZINC001313710647 1071004682 /nfs/dbraw/zinc/00/46/82/1071004682.db2.gz BEPVUVYQLDJEOK-NQIIRXRSSA-N 1 0 451.619 3.841 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001313711501 1071005494 /nfs/dbraw/zinc/00/54/94/1071005494.db2.gz NHIXTSSJZWRLGW-RJGXRXQPSA-N 1 0 482.673 3.824 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC(=O)NC)CC1 ZINC001313712971 1071009955 /nfs/dbraw/zinc/00/99/55/1071009955.db2.gz XHAQHOYJAXSWEV-UHFFFAOYSA-N 1 0 465.017 3.822 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001313713373 1071010170 /nfs/dbraw/zinc/01/01/70/1071010170.db2.gz ZLZKNHPXFNQNER-JOCHJYFZSA-N 1 0 459.660 3.849 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313715461 1071014444 /nfs/dbraw/zinc/01/44/44/1071014444.db2.gz BWLIFZUYNUWDNS-UHFFFAOYSA-N 1 0 492.615 3.936 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC001313715621 1071014468 /nfs/dbraw/zinc/01/44/68/1071014468.db2.gz KMIOEONKKTWYHD-HSZRJFAPSA-N 1 0 450.587 3.659 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@@H]2OC)C1 ZINC001313714290 1071011956 /nfs/dbraw/zinc/01/19/56/1071011956.db2.gz XBVSXLUNBPPONG-XJUOHMSHSA-N 1 0 476.065 3.742 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCc2sc(C)nc2C)C1 ZINC001313714574 1071012657 /nfs/dbraw/zinc/01/26/57/1071012657.db2.gz ZOTRBLQSDNWALW-FQEVSTJZSA-N 1 0 453.660 3.748 20 0 JHADRO CN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1CCCC[NH+]1CCOCC1 ZINC001314758535 1071012950 /nfs/dbraw/zinc/01/29/50/1071012950.db2.gz MCSYSEPWBWYCKC-UHFFFAOYSA-N 1 0 461.582 3.957 20 0 JHADRO COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001309914984 1071015378 /nfs/dbraw/zinc/01/53/78/1071015378.db2.gz HVEKNWXCEGJDSX-BJKOFHAPSA-N 1 0 464.587 3.728 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(COc2ccc(F)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314759886 1071015664 /nfs/dbraw/zinc/01/56/64/1071015664.db2.gz ARCYSJMCDSHNSA-NRFANRHFSA-N 1 0 469.590 3.731 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001313719379 1071019951 /nfs/dbraw/zinc/01/99/51/1071019951.db2.gz MKNFUWNMQWQKNP-OAQYLSRUSA-N 1 0 492.672 3.995 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001313717135 1071016819 /nfs/dbraw/zinc/01/68/19/1071016819.db2.gz ZOHBENJDZPVJPU-UHFFFAOYSA-N 1 0 491.706 3.859 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001313719349 1071020084 /nfs/dbraw/zinc/02/00/84/1071020084.db2.gz OQCSATTUQJLXMF-SFTDATJTSA-N 1 0 460.692 3.849 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2Br)nnc1N1CCOCC2(CC2)C1 ZINC001313717531 1071017295 /nfs/dbraw/zinc/01/72/95/1071017295.db2.gz GHNNFOKKBKNRFV-UHFFFAOYSA-N 1 0 492.462 3.683 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314761048 1071017528 /nfs/dbraw/zinc/01/75/28/1071017528.db2.gz VVXNKDSOAZUJIT-NJDAHSKKSA-N 1 0 457.667 3.687 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001313717743 1071017685 /nfs/dbraw/zinc/01/76/85/1071017685.db2.gz RGEMORLTPRWYBA-FQEVSTJZSA-N 1 0 486.615 3.929 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001313719344 1071020182 /nfs/dbraw/zinc/02/01/82/1071020182.db2.gz LZNAAIVQAGODDY-HOYKHHGWSA-N 1 0 491.105 3.925 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313719430 1071020373 /nfs/dbraw/zinc/02/03/73/1071020373.db2.gz NHZODMRKIXQGGU-MJGOQNOKSA-N 1 0 482.551 3.645 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001313720671 1071021606 /nfs/dbraw/zinc/02/16/06/1071021606.db2.gz XNZRNCNCNOPUHR-JOCHJYFZSA-N 1 0 473.637 3.617 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001313721085 1071022390 /nfs/dbraw/zinc/02/23/90/1071022390.db2.gz DNLFOJPYXOALOZ-IEGUWTFLSA-N 1 0 492.462 3.822 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001313722197 1071026306 /nfs/dbraw/zinc/02/63/06/1071026306.db2.gz YWGMVORIWIPJFO-IEBWSBKVSA-N 1 0 491.478 3.743 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001313723196 1071028791 /nfs/dbraw/zinc/02/87/91/1071028791.db2.gz DDGJUIMANJYBDS-VGOFRKELSA-N 1 0 457.573 3.952 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC001313723618 1071029170 /nfs/dbraw/zinc/02/91/70/1071029170.db2.gz UVJYGXDAIFCWCR-HXUWFJFHSA-N 1 0 461.614 3.926 20 0 JHADRO CC1(C)CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC(C)(C)[NH2+]1 ZINC001309962139 1071029690 /nfs/dbraw/zinc/02/96/90/1071029690.db2.gz OLZFUKJYZMOYCA-UHFFFAOYSA-N 1 0 454.228 3.753 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 ZINC001313724060 1071030022 /nfs/dbraw/zinc/03/00/22/1071030022.db2.gz OVYLMOYPGWXYIP-XXBNENTESA-N 1 0 482.673 3.947 20 0 JHADRO CCn1nc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313724078 1071030118 /nfs/dbraw/zinc/03/01/18/1071030118.db2.gz PJWVIBDEPCVKOI-MRXNPFEDSA-N 1 0 479.551 3.794 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001313722507 1071026897 /nfs/dbraw/zinc/02/68/97/1071026897.db2.gz CYZRRTTZXVKNSK-XMSQKQJNSA-N 1 0 459.635 3.944 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001313722904 1071027824 /nfs/dbraw/zinc/02/78/24/1071027824.db2.gz HYGNXAJFSCUNCX-WAOWUJCRSA-N 1 0 472.703 3.967 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001313724488 1071031064 /nfs/dbraw/zinc/03/10/64/1071031064.db2.gz XDIWWGODLFJGNQ-FGTMMUONSA-N 1 0 487.599 3.650 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001313725696 1071033470 /nfs/dbraw/zinc/03/34/70/1071033470.db2.gz OQIVWMRDUMRRNC-HXUWFJFHSA-N 1 0 484.693 3.576 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001313726648 1071035034 /nfs/dbraw/zinc/03/50/34/1071035034.db2.gz DEMXPLYQHKJJRZ-AJTFRIOCSA-N 1 0 485.673 3.979 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001313729519 1071042115 /nfs/dbraw/zinc/04/21/15/1071042115.db2.gz ZHULCCWAAUWIHK-JOCHJYFZSA-N 1 0 475.597 3.897 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnccn2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001313728475 1071039779 /nfs/dbraw/zinc/03/97/79/1071039779.db2.gz JPOVJVIGJOPJRF-XMMPIXPASA-N 1 0 490.656 3.584 20 0 JHADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)cc1 ZINC001309990884 1071040846 /nfs/dbraw/zinc/04/08/46/1071040846.db2.gz DHVOQVVMOPAENK-YADHBBJMSA-N 1 0 456.612 3.992 20 0 JHADRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 ZINC001309998420 1071047470 /nfs/dbraw/zinc/04/74/70/1071047470.db2.gz WDXXDDUKENDNKU-UHFFFAOYSA-N 1 0 450.649 3.837 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001313731499 1071047503 /nfs/dbraw/zinc/04/75/03/1071047503.db2.gz NTOOPMPNWZRRDX-MRXNPFEDSA-N 1 0 454.040 3.634 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(CCc2ccccc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001313732366 1071049606 /nfs/dbraw/zinc/04/96/06/1071049606.db2.gz DVNGPWQRJLTGCL-QHCPKHFHSA-N 1 0 460.047 3.871 20 0 JHADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC001310000821 1071049693 /nfs/dbraw/zinc/04/96/93/1071049693.db2.gz ODIDJFFPFMSQMA-IBGZPJMESA-N 1 0 450.649 3.882 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001313734159 1071053709 /nfs/dbraw/zinc/05/37/09/1071053709.db2.gz MHMBESPUNYHPCK-FPOVZHCZSA-N 1 0 491.677 3.856 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(C2CCCC2)n1CC1([NH+](C)C)CCCCC1 ZINC001314777930 1071051382 /nfs/dbraw/zinc/05/13/82/1071051382.db2.gz YKUKNRMRDXOFNA-UHFFFAOYSA-N 1 0 450.582 3.693 20 0 JHADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)cc2)cc1 ZINC001310004058 1071052042 /nfs/dbraw/zinc/05/20/42/1071052042.db2.gz GFXAIGBGQBUZDA-SFHVURJKSA-N 1 0 454.571 3.647 20 0 JHADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)c1 ZINC001310004951 1071052473 /nfs/dbraw/zinc/05/24/73/1071052473.db2.gz MXCFMMXBHYHHCC-LOSJGSFVSA-N 1 0 458.562 3.845 20 0 JHADRO C[C@@H]1C[C@@H](CCNC(=O)Nc2ccccc2C(=O)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC001310014580 1071058811 /nfs/dbraw/zinc/05/88/11/1071058811.db2.gz ZIQXSJPFWQNLOQ-IFMALSPDSA-N 1 0 450.583 3.581 20 0 JHADRO C[C@H]1C[C@H](CCNC(=O)Nc2ccccc2C(=O)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC001310014583 1071058836 /nfs/dbraw/zinc/05/88/36/1071058836.db2.gz ZIQXSJPFWQNLOQ-UNMCSNQZSA-N 1 0 450.583 3.581 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001313734454 1071054307 /nfs/dbraw/zinc/05/43/07/1071054307.db2.gz RHWFVEGXBKJYAN-LADGPHEKSA-N 1 0 482.673 3.631 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CC=CCC1 ZINC001314783401 1071059580 /nfs/dbraw/zinc/05/95/80/1071059580.db2.gz SSNXKUUCSGLCOB-UHFFFAOYSA-N 1 0 455.351 3.779 20 0 JHADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001310022478 1071067345 /nfs/dbraw/zinc/06/73/45/1071067345.db2.gz FBJOIBOXRLMGOO-PMACEKPBSA-N 1 0 459.635 3.761 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001313743048 1071069686 /nfs/dbraw/zinc/06/96/86/1071069686.db2.gz ZGJOXGZTIKSGCE-QFIPXVFZSA-N 1 0 496.059 3.963 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313745264 1071073458 /nfs/dbraw/zinc/07/34/58/1071073458.db2.gz AWIFYWNDGKWCMC-RZUBCFFCSA-N 1 0 459.610 3.837 20 0 JHADRO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001310035155 1071074862 /nfs/dbraw/zinc/07/48/62/1071074862.db2.gz VSIFPGOOPJKXBV-QFIPXVFZSA-N 1 0 450.505 3.872 20 0 JHADRO CCOc1ccc(OCC)c(NC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001310033996 1071073899 /nfs/dbraw/zinc/07/38/99/1071073899.db2.gz YAZIFGYVZNURAH-QFIPXVFZSA-N 1 0 452.599 3.908 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313743541 1071070603 /nfs/dbraw/zinc/07/06/03/1071070603.db2.gz CDYGRTIXKYGGEZ-OYRHEFFESA-N 1 0 470.637 3.934 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@@H](CCNC(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001310036987 1071076234 /nfs/dbraw/zinc/07/62/34/1071076234.db2.gz QBHKIKZWKSDWBS-FQEVSTJZSA-N 1 0 459.635 3.987 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)NCCC(=O)Nc3cc(Cl)ccc3OC)cc2)CC1 ZINC001310037806 1071076792 /nfs/dbraw/zinc/07/67/92/1071076792.db2.gz ZZUQHYTWTCSDCZ-UHFFFAOYSA-N 1 0 459.978 3.641 20 0 JHADRO CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001313749402 1071080229 /nfs/dbraw/zinc/08/02/29/1071080229.db2.gz GUVBHDWOAMUDBS-LEWJYISDSA-N 1 0 468.627 3.629 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001313748580 1071079253 /nfs/dbraw/zinc/07/92/53/1071079253.db2.gz YYYUEXDMKLIIBK-PZJWPPBQSA-N 1 0 477.650 3.610 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Br)cc2)n1CC[NH+]1CCCC1 ZINC001313750551 1071082724 /nfs/dbraw/zinc/08/27/24/1071082724.db2.gz MWDXNYUJSGJZIC-UHFFFAOYSA-N 1 0 458.408 3.563 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314805212 1071091109 /nfs/dbraw/zinc/09/11/09/1071091109.db2.gz SDHVMKATTMOSLP-UZLBHIALSA-N 1 0 462.436 3.911 20 0 JHADRO Cc1cc(NC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)ccc1N1CC[NH+](C)CC1 ZINC001310060716 1071091509 /nfs/dbraw/zinc/09/15/09/1071091509.db2.gz WQIXOBKGYQFASH-DFBJGRDBSA-N 1 0 457.619 3.658 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001314805430 1071091644 /nfs/dbraw/zinc/09/16/44/1071091644.db2.gz UIAYFSUKQWCOFQ-HXUWFJFHSA-N 1 0 489.064 3.599 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCCC1 ZINC001314806444 1071094034 /nfs/dbraw/zinc/09/40/34/1071094034.db2.gz JZZCBHAEKKBSHL-INIZCTEOSA-N 1 0 466.399 3.805 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(Cl)c2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314807662 1071097409 /nfs/dbraw/zinc/09/74/09/1071097409.db2.gz VKICHQYWPADJSN-UGKGYDQZSA-N 1 0 462.038 3.698 20 0 JHADRO CN(C[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@]2([NH+](C)C)CCSC2)C1)C(=O)OC(C)(C)C ZINC001314810062 1071102057 /nfs/dbraw/zinc/10/20/57/1071102057.db2.gz IRPYNBFUJOCQDX-UUOWRZLLSA-N 1 0 480.723 3.706 20 0 JHADRO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC001310081216 1071105002 /nfs/dbraw/zinc/10/50/02/1071105002.db2.gz GNBXSKQJZSKMIP-UHFFFAOYSA-N 1 0 456.612 3.851 20 0 JHADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1Cc1ncnn1C(C)(C)C ZINC001314811515 1071105894 /nfs/dbraw/zinc/10/58/94/1071105894.db2.gz NEOCFGSMNMBGEG-NRFANRHFSA-N 1 0 464.662 3.929 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313772210 1071124145 /nfs/dbraw/zinc/12/41/45/1071124145.db2.gz PKYQGRWAKWFZHC-SFTDATJTSA-N 1 0 488.652 3.589 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(Br)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001313772064 1071123329 /nfs/dbraw/zinc/12/33/29/1071123329.db2.gz OKEPXYYQOOXRLA-FQEVSTJZSA-N 1 0 492.462 3.824 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[NH+]1CCCCC1 ZINC001314819494 1071132976 /nfs/dbraw/zinc/13/29/76/1071132976.db2.gz COQDJHHCYIDZBI-UHFFFAOYSA-N 1 0 453.509 3.981 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCOCC1 ZINC001313776984 1071134555 /nfs/dbraw/zinc/13/45/55/1071134555.db2.gz RNFDDMRNHCAJLA-SFHVURJKSA-N 1 0 466.001 3.854 20 0 JHADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)N[C@H](C[NH+](C)C)c3ccc(F)cc3)c2)c1C ZINC001310116837 1071129660 /nfs/dbraw/zinc/12/96/60/1071129660.db2.gz RXIDREGKPZRLSC-JOCHJYFZSA-N 1 0 453.518 3.921 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001313777542 1071135352 /nfs/dbraw/zinc/13/53/52/1071135352.db2.gz CRLJWGWHOSLISJ-FGZHOGPDSA-N 1 0 490.693 3.738 20 0 JHADRO CC(C)Cc1ccc([C@@H](CNC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)[NH+](C)C)cc1 ZINC001310131239 1071142588 /nfs/dbraw/zinc/14/25/88/1071142588.db2.gz WFGXYYKSBGVTLO-XMMPIXPASA-N 1 0 452.599 3.782 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@@H+]1CC ZINC001313782720 1071148447 /nfs/dbraw/zinc/14/84/47/1071148447.db2.gz KAKUNYWVGPMXRI-HKBOAZHASA-N 1 0 476.666 3.840 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCCC2)C1)CC(F)(F)F ZINC001313784130 1071154066 /nfs/dbraw/zinc/15/40/66/1071154066.db2.gz FEMWWSLUBWSKLZ-OAQYLSRUSA-N 1 0 493.622 3.849 20 0 JHADRO CCN(C[C@@H]1COc2ccccc2O1)c1nnc([C@@H]2CCCOC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001313784661 1071156106 /nfs/dbraw/zinc/15/61/06/1071156106.db2.gz FWXGBBILMNABHQ-BHIFYINESA-N 1 0 471.646 3.815 20 0 JHADRO CN(CCC(F)F)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314827060 1071152037 /nfs/dbraw/zinc/15/20/37/1071152037.db2.gz FNDCFXXPRBORPW-DMPWYTOCSA-N 1 0 488.649 3.578 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)C1)CC(F)(F)F ZINC001313785696 1071160934 /nfs/dbraw/zinc/16/09/34/1071160934.db2.gz LXVXXLUARSTBFD-UXHICEINSA-N 1 0 486.627 3.757 20 0 JHADRO CN(CCc1ccc(Cl)cc1)c1nnc([C@H]2CCOC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314829073 1071158326 /nfs/dbraw/zinc/15/83/26/1071158326.db2.gz OZHROGBNKLOAGQ-PGRDOPGGSA-N 1 0 450.052 3.552 20 0 JHADRO C[NH+]1CCC2(CCCN(C(=O)Nc3cc(Br)ccc3N3CCOCC3)C2)CC1 ZINC001310158788 1071163396 /nfs/dbraw/zinc/16/33/96/1071163396.db2.gz VMACNJYGVNWUAC-UHFFFAOYSA-N 1 0 451.409 3.625 20 0 JHADRO CN(CCc1cnccn1)c1nnc(-c2ccccc2F)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314831373 1071163589 /nfs/dbraw/zinc/16/35/89/1071163589.db2.gz QPJRTSBEXFPYMV-OAQYLSRUSA-N 1 0 451.575 3.918 20 0 JHADRO CN(CCc1cnccn1)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+](C)C1CCCCC1 ZINC001314835424 1071176708 /nfs/dbraw/zinc/17/67/08/1071176708.db2.gz RALRUROGICYSBQ-UHFFFAOYSA-N 1 0 469.584 3.881 20 0 JHADRO CCN(CCc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313790301 1071182826 /nfs/dbraw/zinc/18/28/26/1071182826.db2.gz ATYALXIYQZBBCF-WOJBJXKFSA-N 1 0 458.676 3.765 20 0 JHADRO CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001313791112 1071185928 /nfs/dbraw/zinc/18/59/28/1071185928.db2.gz MGHGEZNSJREQCD-QFIPXVFZSA-N 1 0 473.687 3.514 20 0 JHADRO CN(CCCc1ccccn1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314840000 1071185977 /nfs/dbraw/zinc/18/59/77/1071185977.db2.gz RJLBDNZTGGAECI-OAQYLSRUSA-N 1 0 476.629 3.510 20 0 JHADRO CN(CCC1CC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001314839084 1071184598 /nfs/dbraw/zinc/18/45/98/1071184598.db2.gz VLRMEADEVLFOHF-UHFFFAOYSA-N 1 0 459.660 3.849 20 0 JHADRO CN(CCCc1ccccn1)c1nnc(-c2ccccc2Cl)n1CCC[NH+]1CCC(O)CC1 ZINC001314843802 1071196898 /nfs/dbraw/zinc/19/68/98/1071196898.db2.gz PFNZERVYMZOKCR-UHFFFAOYSA-N 1 0 469.033 3.909 20 0 JHADRO CC[N@H+](CCC1CCN(c2nnc(C(C)(C)C)n2CCN2CCOC[C@@H]2C)CC1)CC1CC1 ZINC001313800021 1071202610 /nfs/dbraw/zinc/20/26/10/1071202610.db2.gz NTCIQFNPDDXXGA-NRFANRHFSA-N 1 0 460.711 3.635 20 0 JHADRO CC[N@H+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)C(C)C ZINC001313801080 1071204793 /nfs/dbraw/zinc/20/47/93/1071204793.db2.gz BBSANKFMNNDMBV-VJBMBRPKSA-N 1 0 475.609 3.672 20 0 JHADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC(OCc2ccccc2F)CC1)C(C)C ZINC001313804153 1071213495 /nfs/dbraw/zinc/21/34/95/1071213495.db2.gz AOHPJWQUZOISLS-UHFFFAOYSA-N 1 0 486.636 3.569 20 0 JHADRO O=C(NCc1cc(F)ccc1N1CCOCC1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001310217081 1071213508 /nfs/dbraw/zinc/21/35/08/1071213508.db2.gz AAPMGDQYIQTZMT-UHFFFAOYSA-N 1 0 458.603 3.575 20 0 JHADRO 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CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cc2c(cc1SC)OCCO2 ZINC001310234594 1071226358 /nfs/dbraw/zinc/22/63/58/1071226358.db2.gz SJSQOIAWCDHVQO-UHFFFAOYSA-N 1 0 458.584 3.974 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2)nnc1N1CCC[C@H](N2CCCC2=O)C1)CCC(F)(F)F ZINC001313807329 1071227906 /nfs/dbraw/zinc/22/79/06/1071227906.db2.gz KGPYPJIZKCBPJI-FQEVSTJZSA-N 1 0 478.563 3.811 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2Br)nnc1N(C)Cc1cnccn1)C1CC1 ZINC001313807401 1071228510 /nfs/dbraw/zinc/22/85/10/1071228510.db2.gz MBUFWPZCHVUYFM-UHFFFAOYSA-N 1 0 456.392 3.618 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1)C(C)C ZINC001313807439 1071228891 /nfs/dbraw/zinc/22/88/91/1071228891.db2.gz NGWWYMYGXAQZEV-UHFFFAOYSA-N 1 0 455.676 3.679 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CC[N@H+](CC)CCC(F)(F)F)CC1 ZINC001313808197 1071231658 /nfs/dbraw/zinc/23/16/58/1071231658.db2.gz CWCWKOLZDWSIAC-UHFFFAOYSA-N 1 0 499.582 3.705 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccnc2C)CC1)C(C)C 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ZINC001310361937 1071339186 /nfs/dbraw/zinc/33/91/86/1071339186.db2.gz CSFIMFCAGJZJCQ-NSHDSACASA-N 1 0 458.250 3.707 20 0 JHADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC001310362796 1071339458 /nfs/dbraw/zinc/33/94/58/1071339458.db2.gz FZJFDPAYMKYRHA-KRWDZBQOSA-N 1 0 451.571 3.605 20 0 JHADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC001310362797 1071339841 /nfs/dbraw/zinc/33/98/41/1071339841.db2.gz FZJFDPAYMKYRHA-QGZVFWFLSA-N 1 0 451.571 3.605 20 0 JHADRO COC(=O)c1cc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(OC)c(OC)c1 ZINC001310373440 1071349221 /nfs/dbraw/zinc/34/92/21/1071349221.db2.gz UQOKHRHNCOCESG-RUZDIDTESA-N 1 0 453.539 3.620 20 0 JHADRO COC(=O)c1ccc(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C(=O)OC ZINC001310380669 1071355113 /nfs/dbraw/zinc/35/51/13/1071355113.db2.gz PIOQZLOPMHXEDR-YPGOJHLTSA-N 1 0 453.539 3.538 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@@H]1C ZINC001313858606 1071360717 /nfs/dbraw/zinc/36/07/17/1071360717.db2.gz BJOBTLIPEITNKW-LUKYLMHMSA-N 1 0 465.440 3.770 20 0 JHADRO COC1CC[NH+](CCNC(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)CC1 ZINC001310392210 1071364410 /nfs/dbraw/zinc/36/44/10/1071364410.db2.gz HTGHKFIPUQNLCD-UHFFFAOYSA-N 1 0 450.992 3.564 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2ccc(C)cc2)C[C@H]1C ZINC001313859516 1071364403 /nfs/dbraw/zinc/36/44/03/1071364403.db2.gz JYUFTNQYIPEPOR-HKBOAZHASA-N 1 0 477.613 3.620 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CCCOCCOC)C[C@@H]1C ZINC001313859619 1071364552 /nfs/dbraw/zinc/36/45/52/1071364552.db2.gz HHPWMCWFEPBFAT-OALUTQOASA-N 1 0 494.478 3.988 20 0 JHADRO C[NH+](C)CCCOc1cnccc1CNC(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC001310395993 1071366490 /nfs/dbraw/zinc/36/64/90/1071366490.db2.gz HCUUFVVWXJUQNJ-UHFFFAOYSA-N 1 0 454.506 3.800 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001314924848 1071367297 /nfs/dbraw/zinc/36/72/97/1071367297.db2.gz QBUBYSMUAPJMFM-QHCPKHFHSA-N 1 0 466.674 3.666 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001314924363 1071367415 /nfs/dbraw/zinc/36/74/15/1071367415.db2.gz LZIMPYUVWQLIED-FQEVSTJZSA-N 1 0 498.569 3.801 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(CC2CC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001314925269 1071367923 /nfs/dbraw/zinc/36/79/23/1071367923.db2.gz VOSDVQXAHVJTFY-HXUWFJFHSA-N 1 0 460.667 3.845 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2nncn2C)C[C@H]1C ZINC001313860370 1071368987 /nfs/dbraw/zinc/36/89/87/1071368987.db2.gz JTAWQCQRGUGUOM-CEXWTWQISA-N 1 0 487.052 3.784 20 0 JHADRO COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC001310401818 1071369032 /nfs/dbraw/zinc/36/90/32/1071369032.db2.gz MAWFRNQOIIPCGP-NRFANRHFSA-N 1 0 455.555 3.627 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNC(=O)C(C)C)C[C@@H]1C ZINC001313860487 1071370644 /nfs/dbraw/zinc/37/06/44/1071370644.db2.gz LGMVDOFOFJNRKO-ZWKOTPCHSA-N 1 0 478.588 3.628 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001314929725 1071372983 /nfs/dbraw/zinc/37/29/83/1071372983.db2.gz YFJBKDWPVHWFAB-HNAYVOBHSA-N 1 0 463.001 3.560 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(Cl)c(OC)c2)C[C@H]1C ZINC001313862252 1071376181 /nfs/dbraw/zinc/37/61/81/1071376181.db2.gz SIFKPABZZNXWMJ-QZTJIDSGSA-N 1 0 498.031 3.749 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCSCc2ccccc2F)C[C@@H]1C ZINC001313862237 1071376378 /nfs/dbraw/zinc/37/63/78/1071376378.db2.gz SDLQAARIBMSBPF-RBUKOAKNSA-N 1 0 497.644 3.917 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313862659 1071377654 /nfs/dbraw/zinc/37/76/54/1071377654.db2.gz IMDNTCRGWWRGER-OALUTQOASA-N 1 0 494.644 3.993 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2ccnc2C)C[C@@H]1C ZINC001313863673 1071382631 /nfs/dbraw/zinc/38/26/31/1071382631.db2.gz WJWFYYOWEQSYGP-LEWJYISDSA-N 1 0 478.645 3.661 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313862773 1071378135 /nfs/dbraw/zinc/37/81/35/1071378135.db2.gz RJPHEXPGPHBFDW-SQNIBIBYSA-N 1 0 469.552 3.988 20 0 JHADRO C[N@@H+]1CCN(CCn2c(CCCc3ccccc3)nnc2N2CCC[C@H](C(F)F)C2)CC1(C)C ZINC001314932069 1071378661 /nfs/dbraw/zinc/37/86/61/1071378661.db2.gz YSRCQUBEQAQCDO-QFIPXVFZSA-N 1 0 474.644 3.961 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCn2nc(C)cc2C)C[C@H]1C ZINC001313863181 1071380138 /nfs/dbraw/zinc/38/01/38/1071380138.db2.gz VAKSANJHKUPTIL-NHCUHLMSSA-N 1 0 481.645 3.785 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2CCc2ccccc2Cl)C[C@H]1C ZINC001313863818 1071383334 /nfs/dbraw/zinc/38/33/34/1071383334.db2.gz TWTOGFJKGVZGNK-CEXWTWQISA-N 1 0 450.027 3.817 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cnn(C)c2C)C[C@@H]1C ZINC001313863867 1071383899 /nfs/dbraw/zinc/38/38/99/1071383899.db2.gz ULDARUGSQSMAOD-JENIJYKNSA-N 1 0 455.582 3.566 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccn2)C[C@@H]1C ZINC001313863883 1071384353 /nfs/dbraw/zinc/38/43/53/1071384353.db2.gz UONPSQFOAFAGPQ-HOTGVXAUSA-N 1 0 458.408 3.592 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1C ZINC001313864105 1071384717 /nfs/dbraw/zinc/38/47/17/1071384717.db2.gz LUFYPLFTDSKTMT-QWHCGFSZSA-N 1 0 459.948 3.919 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313864708 1071388678 /nfs/dbraw/zinc/38/86/78/1071388678.db2.gz GTMVVDPPIXDNBI-FGTMMUONSA-N 1 0 486.617 3.506 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)c(OC)c2)C[C@H]1C ZINC001313864424 1071386556 /nfs/dbraw/zinc/38/65/56/1071386556.db2.gz UZSRLDVGXQNKTD-WYEJZRMESA-N 1 0 492.064 3.948 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001314935371 1071383417 /nfs/dbraw/zinc/38/34/17/1071383417.db2.gz YELDGUPMRMQJIS-UHFFFAOYSA-N 1 0 484.689 3.562 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2CCC(F)(F)CC2)C[C@H]1C ZINC001313865383 1071392352 /nfs/dbraw/zinc/39/23/52/1071392352.db2.gz ZLEBVLAAIKCRDB-SJORKVTESA-N 1 0 461.561 3.670 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@H]2C)C[C@@H]1C ZINC001313865348 1071392389 /nfs/dbraw/zinc/39/23/89/1071392389.db2.gz AGHPXOMDNFCDCL-FBPBVXOASA-N 1 0 455.647 3.663 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313865833 1071394492 /nfs/dbraw/zinc/39/44/92/1071394492.db2.gz PGUIWZGVBYEIMP-OALUTQOASA-N 1 0 479.629 3.649 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCC2)C[C@@H]1C ZINC001313865889 1071394582 /nfs/dbraw/zinc/39/45/82/1071394582.db2.gz YNIRISWDIPJZJA-HOTGVXAUSA-N 1 0 465.440 3.650 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNC(C)=O)C[C@H]1C ZINC001313864935 1071389630 /nfs/dbraw/zinc/38/96/30/1071389630.db2.gz ZLPZICDGSWEOFI-QZTJIDSGSA-N 1 0 458.676 3.721 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001313865880 1071394076 /nfs/dbraw/zinc/39/40/76/1071394076.db2.gz YMKHPCPGYZMECW-SLFFLAALSA-N 1 0 482.604 3.532 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccnc(C(F)(F)F)c2)C[C@H]1C ZINC001313865028 1071390049 /nfs/dbraw/zinc/39/00/49/1071390049.db2.gz WEMUTUURUZXWKZ-IEGUWTFLSA-N 1 0 496.578 3.700 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313865748 1071394679 /nfs/dbraw/zinc/39/46/79/1071394679.db2.gz XICKWROYDRJMBC-UFYCRDLUSA-N 1 0 486.636 3.735 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CCCCn2ccnc2C)C[C@H]1C ZINC001313866144 1071395039 /nfs/dbraw/zinc/39/50/39/1071395039.db2.gz DCRCZJGUEBKEBM-QZTJIDSGSA-N 1 0 456.664 3.538 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001313865965 1071395235 /nfs/dbraw/zinc/39/52/35/1071395235.db2.gz JDOCDJPYFINBQP-TWJGEFDFSA-N 1 0 468.429 3.711 20 0 JHADRO CCOC(=O)c1cc2cc(NC(=O)NCc3cccnc3N3CC[NH+](C)CC3)ccc2s1 ZINC001310453527 1071398145 /nfs/dbraw/zinc/39/81/45/1071398145.db2.gz PEFYCVLBZNQTKH-UHFFFAOYSA-N 1 0 453.568 3.547 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCOC[C@@H]2CCOC2)C[C@@H]1C ZINC001313867130 1071398247 /nfs/dbraw/zinc/39/82/47/1071398247.db2.gz LONQBKVMPLKCRS-UFYCRDLUSA-N 1 0 462.038 3.961 20 0 JHADRO C[NH+](C)C[C@H](NC(=O)Nc1ccc(CCS(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC001310456660 1071400591 /nfs/dbraw/zinc/40/05/91/1071400591.db2.gz QZDLUMCYYXPOME-IBGZPJMESA-N 1 0 457.518 3.717 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCCOC)C[C@H]1C ZINC001313868633 1071405686 /nfs/dbraw/zinc/40/56/86/1071405686.db2.gz VNECOGHANQUKRR-NHCUHLMSSA-N 1 0 464.614 3.641 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313868007 1071402570 /nfs/dbraw/zinc/40/25/70/1071402570.db2.gz LPGPLYUSWCGNHP-YESZJQIVSA-N 1 0 452.525 3.553 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC001310460042 1071402918 /nfs/dbraw/zinc/40/29/18/1071402918.db2.gz UYLUOJORTPEYNT-SFHVURJKSA-N 1 0 459.388 3.648 20 0 JHADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)[C@H](C)C1 ZINC001310460814 1071403506 /nfs/dbraw/zinc/40/35/06/1071403506.db2.gz WOQWSTCXTWGBLX-HZPDHXFCSA-N 1 0 455.946 3.994 20 0 JHADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)[C@@H](C)C1 ZINC001310460816 1071403528 /nfs/dbraw/zinc/40/35/28/1071403528.db2.gz WOQWSTCXTWGBLX-JKSUJKDBSA-N 1 0 455.946 3.994 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)c2ccc(OC)cc2)C[C@H]1C ZINC001313868422 1071404438 /nfs/dbraw/zinc/40/44/38/1071404438.db2.gz NDAROFLRBCJNKZ-NJYVYQBISA-N 1 0 468.646 3.522 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCSCC(C)C)C[C@@H]1C ZINC001313869415 1071408211 /nfs/dbraw/zinc/40/82/11/1071408211.db2.gz PNCUZBKRYLMHDE-VQTJNVASSA-N 1 0 455.676 3.825 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCSCC(C)C)C[C@H]1C ZINC001313869416 1071408533 /nfs/dbraw/zinc/40/85/33/1071408533.db2.gz PNCUZBKRYLMHDE-WOJBJXKFSA-N 1 0 455.676 3.825 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2OCCC2(C)C)C[C@H]1C ZINC001313869595 1071409192 /nfs/dbraw/zinc/40/91/92/1071409192.db2.gz QFALSEPPIFMJQN-FGSXEWAUSA-N 1 0 457.619 3.696 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2OCCC2(C)C)C[C@@H]1C ZINC001313869609 1071409230 /nfs/dbraw/zinc/40/92/30/1071409230.db2.gz QFALSEPPIFMJQN-SPEDKVCISA-N 1 0 457.619 3.696 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2OCCC2(C)C)C[C@@H]1C ZINC001313869605 1071409257 /nfs/dbraw/zinc/40/92/57/1071409257.db2.gz QFALSEPPIFMJQN-NPPFBWRTSA-N 1 0 457.619 3.696 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccoc2)C[C@@H]1C ZINC001313869510 1071409375 /nfs/dbraw/zinc/40/93/75/1071409375.db2.gz PIYMAAUXXHQPHM-RBUKOAKNSA-N 1 0 472.634 3.953 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001313870692 1071415142 /nfs/dbraw/zinc/41/51/42/1071415142.db2.gz FQEGXDPRLITCHG-ZWKOTPCHSA-N 1 0 490.599 3.544 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCSC)C[C@H]1C ZINC001313871861 1071418177 /nfs/dbraw/zinc/41/81/77/1071418177.db2.gz UBMUZXAJZDYUET-HSALFYBXSA-N 1 0 496.722 3.649 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(C)c2)C[C@H]1C ZINC001313871877 1071418902 /nfs/dbraw/zinc/41/89/02/1071418902.db2.gz UPMXPMJYKISKTB-FUPPJEDESA-N 1 0 498.672 3.862 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[NH+]1CCC(C)CC1 ZINC001314952043 1071421713 /nfs/dbraw/zinc/42/17/13/1071421713.db2.gz SPUBOQFPTWXRKY-IFMALSPDSA-N 1 0 470.662 3.585 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2CCc2ccccc2C(F)(F)F)C[C@H]1C ZINC001313872568 1071421839 /nfs/dbraw/zinc/42/18/39/1071421839.db2.gz WWAGIIUJTAERET-AOIWGVFYSA-N 1 0 451.537 3.962 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313872507 1071422134 /nfs/dbraw/zinc/42/21/34/1071422134.db2.gz AXBDWFIZTTXADD-GBESFXJTSA-N 1 0 498.569 3.799 20 0 JHADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)c1 ZINC001310481251 1071423188 /nfs/dbraw/zinc/42/31/88/1071423188.db2.gz DJVVGDNRCGCTMP-FQEVSTJZSA-N 1 0 453.587 3.847 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2)c1ccccc1 ZINC001310482170 1071424509 /nfs/dbraw/zinc/42/45/09/1071424509.db2.gz MINOKSCGMYYOOJ-UGKGYDQZSA-N 1 0 453.587 3.888 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCCCCS(C)(=O)=O)C[C@@H]1C ZINC001313874082 1071427006 /nfs/dbraw/zinc/42/70/06/1071427006.db2.gz MKZRZFHAKAUSBW-RBUKOAKNSA-N 1 0 482.094 3.656 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001313874709 1071430465 /nfs/dbraw/zinc/43/04/65/1071430465.db2.gz JTBVYMJXPCYHNP-PMACEKPBSA-N 1 0 480.613 3.545 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001314959075 1071432094 /nfs/dbraw/zinc/43/20/94/1071432094.db2.gz UNMAKGSPCIIIAP-NQIIRXRSSA-N 1 0 485.032 3.771 20 0 JHADRO CCn1nc(C)c(NC(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC001310492518 1071432055 /nfs/dbraw/zinc/43/20/55/1071432055.db2.gz KQSRWBMLTWUHCK-UHFFFAOYSA-N 1 0 452.525 3.872 20 0 JHADRO CCN1C[C@H](CN(C)c2nnc([C@@H]3CCOC3)n2CC[NH+](C(C)C)C(C)C)Oc2ccccc21 ZINC001313875270 1071432684 /nfs/dbraw/zinc/43/26/84/1071432684.db2.gz FPLYQNQDCDNNAV-YADHBBJMSA-N 1 0 470.662 3.625 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001313876675 1071438957 /nfs/dbraw/zinc/43/89/57/1071438957.db2.gz VKOYANVHZYLSJZ-ROUUACIJSA-N 1 0 453.591 3.610 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)cc2)C[C@H]1C ZINC001313876967 1071439775 /nfs/dbraw/zinc/43/97/75/1071439775.db2.gz PSSXOEIMWZCARD-QZTJIDSGSA-N 1 0 470.618 3.570 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCOc2cccc(Cl)c2)C[C@H]1C ZINC001313875551 1071435213 /nfs/dbraw/zinc/43/52/13/1071435213.db2.gz MSDIELQOLCNZLM-WOJBJXKFSA-N 1 0 472.037 3.791 20 0 JHADRO CCN1C[C@H](CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[NH+](CC)CC)Oc2ccccc21 ZINC001313875677 1071436141 /nfs/dbraw/zinc/43/61/41/1071436141.db2.gz IMAXPMKMVLLLRK-DPLHUUCSSA-N 1 0 470.662 3.974 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Br)cc3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001313875797 1071436147 /nfs/dbraw/zinc/43/61/47/1071436147.db2.gz DOQWGYDWQXPOOB-UHFFFAOYSA-N 1 0 491.478 3.790 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2CCN(C(=O)OC)CC2)C[C@H]1C ZINC001313877891 1071443131 /nfs/dbraw/zinc/44/31/31/1071443131.db2.gz XKHKREJINDACDL-QZTJIDSGSA-N 1 0 475.037 3.996 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccn3C)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313878861 1071446816 /nfs/dbraw/zinc/44/68/16/1071446816.db2.gz ZHQLTBMQZDLTMI-IAGOWNOFSA-N 1 0 473.021 3.921 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313879076 1071447572 /nfs/dbraw/zinc/44/75/72/1071447572.db2.gz YPNTVSZTABFEAK-FKBYEOEOSA-N 1 0 497.688 3.830 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C)C2)CC1 ZINC001313879588 1071450719 /nfs/dbraw/zinc/45/07/19/1071450719.db2.gz GOISCWZYLUVIQP-TZIWHRDSSA-N 1 0 476.666 3.555 20 0 JHADRO CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCC1CC[NH+](CC)CC1 ZINC001313880558 1071452508 /nfs/dbraw/zinc/45/25/08/1071452508.db2.gz XFJYMALKXDUSST-UHFFFAOYSA-N 1 0 451.619 3.814 20 0 JHADRO CCN1C[C@H](CN(C)c2nnc(C(C)(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)Oc2ccccc21 ZINC001313880829 1071453210 /nfs/dbraw/zinc/45/32/10/1071453210.db2.gz AYWFKPPTBPIBRV-NRFANRHFSA-N 1 0 484.689 3.535 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001314967875 1071454217 /nfs/dbraw/zinc/45/42/17/1071454217.db2.gz BTEJYLXXPHWIAD-DWXRJYCRSA-N 1 0 495.697 3.726 20 0 JHADRO CC[NH+]1CCC(CCn2c(CSc3ccc(C)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001313882249 1071457557 /nfs/dbraw/zinc/45/75/57/1071457557.db2.gz UUIOGDSMZSAPCS-FQEVSTJZSA-N 1 0 470.687 3.668 20 0 JHADRO CC[NH+]1CCC(CCn2c(CCc3ccccc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001313881520 1071455175 /nfs/dbraw/zinc/45/51/75/1071455175.db2.gz BRJVXQGWWFSSTO-QHCPKHFHSA-N 1 0 480.701 3.878 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccsc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001313882123 1071457699 /nfs/dbraw/zinc/45/76/99/1071457699.db2.gz HDTHNBGHOJTRHF-UHFFFAOYSA-N 1 0 472.703 3.747 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001314971416 1071458176 /nfs/dbraw/zinc/45/81/76/1071458176.db2.gz RUMSQBLPWDIJTE-RLWLMLJZSA-N 1 0 487.092 3.853 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H]2CSCCS2)C[C@@H]1C ZINC001313882697 1071458933 /nfs/dbraw/zinc/45/89/33/1071458933.db2.gz GFRGMSLXIOSNSX-FHWLQOOXSA-N 1 0 477.700 3.633 20 0 JHADRO CC[NH+]1CCC(CCn2c(CCCc3ccccc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001313882663 1071459110 /nfs/dbraw/zinc/45/91/10/1071459110.db2.gz LAEDPUPFOAKRGI-UHFFFAOYSA-N 1 0 466.674 3.634 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)C1 ZINC001313882857 1071459669 /nfs/dbraw/zinc/45/96/69/1071459669.db2.gz AIZQRCFTPKAIQK-HSALFYBXSA-N 1 0 456.660 3.819 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001313882882 1071459809 /nfs/dbraw/zinc/45/98/09/1071459809.db2.gz ARHRMUJRGBNMLR-TZIWHRDSSA-N 1 0 486.636 3.594 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3cccnc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001313883282 1071461301 /nfs/dbraw/zinc/46/13/01/1071461301.db2.gz RFZDRPGOWXQYAI-DEOSSOPVSA-N 1 0 494.606 3.916 20 0 JHADRO CC[NH+]1CCC(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313883306 1071461393 /nfs/dbraw/zinc/46/13/93/1071461393.db2.gz RMRPHUSLSDYFKU-VWLOTQADSA-N 1 0 488.702 3.787 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccccn3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313883544 1071462112 /nfs/dbraw/zinc/46/21/12/1071462112.db2.gz SYAMMSRRLYKGPT-NRFANRHFSA-N 1 0 480.579 3.934 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001313884785 1071464997 /nfs/dbraw/zinc/46/49/97/1071464997.db2.gz SYZKCYHZKPASRO-IRXDYDNUSA-N 1 0 469.540 3.743 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3C)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001313885616 1071467106 /nfs/dbraw/zinc/46/71/06/1071467106.db2.gz FGBBQEWDPMCAAE-SFHVURJKSA-N 1 0 468.543 3.618 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCC[C@@H](COC)C2)C1 ZINC001313886687 1071470797 /nfs/dbraw/zinc/47/07/97/1071470797.db2.gz PKHNBPHYWJLSHQ-LEWJYISDSA-N 1 0 471.646 3.946 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3c(F)cccc3Cl)CC2)C1 ZINC001313886887 1071471385 /nfs/dbraw/zinc/47/13/85/1071471385.db2.gz FNWWLHYBDXGZJA-SFHVURJKSA-N 1 0 491.055 3.963 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001313887119 1071472294 /nfs/dbraw/zinc/47/22/94/1071472294.db2.gz SYGRSQLKZDDTQL-VKRLORBYSA-N 1 0 481.563 3.988 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313887203 1071472448 /nfs/dbraw/zinc/47/24/48/1071472448.db2.gz HISYXBSRMJZJNQ-IFMALSPDSA-N 1 0 468.646 3.623 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001314977934 1071472582 /nfs/dbraw/zinc/47/25/82/1071472582.db2.gz CKKQBWWDZZIRCK-RBTNQOKQSA-N 1 0 489.668 3.770 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C1 ZINC001313889583 1071480649 /nfs/dbraw/zinc/48/06/49/1071480649.db2.gz IILGHWJDEPBPAW-XZOQPEGZSA-N 1 0 496.700 3.947 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(CC(C)C)nnc2N2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC001313888445 1071476735 /nfs/dbraw/zinc/47/67/35/1071476735.db2.gz OLUCKTKNTOOIGM-OAQYLSRUSA-N 1 0 475.081 3.673 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CC[C@@H](C)[C@H](OC)C2)C1 ZINC001313888285 1071476783 /nfs/dbraw/zinc/47/67/83/1071476783.db2.gz BGADJLGBXCRASE-SVFBPWRDSA-N 1 0 459.660 3.782 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)COC)C[C@@H]1C ZINC001313888609 1071477626 /nfs/dbraw/zinc/47/76/26/1071477626.db2.gz WVVHUQOLTGQUBF-ZCNNSNEGSA-N 1 0 478.682 3.942 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2ccnc2C)C[C@H]1C ZINC001313889324 1071479247 /nfs/dbraw/zinc/47/92/47/1071479247.db2.gz XPCGFFYSWXVYIN-MOPGFXCFSA-N 1 0 469.659 3.703 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(NC(C)=O)nc2)C[C@H]1C ZINC001313889339 1071479838 /nfs/dbraw/zinc/47/98/38/1071479838.db2.gz XPQOUKZOTFAEAU-SVVKQXANSA-N 1 0 483.661 3.517 20 0 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CC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N(C)Cc2scnc2C)C1 ZINC001313890747 1071483243 /nfs/dbraw/zinc/48/32/43/1071483243.db2.gz PCQAYLHOXHBPDW-GOSISDBHSA-N 1 0 456.616 3.609 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001313890927 1071483293 /nfs/dbraw/zinc/48/32/93/1071483293.db2.gz QPPDJEZYOPVKLK-KRWDZBQOSA-N 1 0 467.536 3.986 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001313891127 1071484700 /nfs/dbraw/zinc/48/47/00/1071484700.db2.gz SPKVGPNVLNUFNF-IFMALSPDSA-N 1 0 491.727 3.624 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(C)C)CC1 ZINC001313892328 1071487002 /nfs/dbraw/zinc/48/70/02/1071487002.db2.gz DSLYTJIGAGERPT-QFIPXVFZSA-N 1 0 488.702 3.552 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313892902 1071488637 /nfs/dbraw/zinc/48/86/37/1071488637.db2.gz MMEFOFNNDPWZSA-LEWJYISDSA-N 1 0 485.677 3.709 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001313893750 1071490915 /nfs/dbraw/zinc/49/09/15/1071490915.db2.gz PNGCZDUWUJRKED-HXUWFJFHSA-N 1 0 474.053 3.713 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001313895838 1071497792 /nfs/dbraw/zinc/49/77/92/1071497792.db2.gz KNYKDCZXLSHPKI-UYAOXDASSA-N 1 0 467.536 3.986 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001313894247 1071492646 /nfs/dbraw/zinc/49/26/46/1071492646.db2.gz VADUEEHQDDXDQT-BBWFWOEESA-N 1 0 478.435 3.814 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313894845 1071494987 /nfs/dbraw/zinc/49/49/87/1071494987.db2.gz DQUDTUJIRNWQGL-MJGOQNOKSA-N 1 0 458.676 3.578 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cscn1 ZINC001313895297 1071496462 /nfs/dbraw/zinc/49/64/62/1071496462.db2.gz ZPSBFMWPXPCVSI-HNNXBMFYSA-N 1 0 450.410 3.613 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001313895360 1071496480 /nfs/dbraw/zinc/49/64/80/1071496480.db2.gz HGTBCNIBHITMHP-QHCPKHFHSA-N 1 0 452.647 3.832 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001313897523 1071502843 /nfs/dbraw/zinc/50/28/43/1071502843.db2.gz XUOUVYMWRZHDRK-IFMALSPDSA-N 1 0 468.646 3.521 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001313896073 1071498819 /nfs/dbraw/zinc/49/88/19/1071498819.db2.gz CSADNLCQMNKQSL-RBUKOAKNSA-N 1 0 495.441 3.810 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001313895861 1071498835 /nfs/dbraw/zinc/49/88/35/1071498835.db2.gz LFAJOMIJYWEREA-OFNKIYASSA-N 1 0 482.673 3.815 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC001313896475 1071500417 /nfs/dbraw/zinc/50/04/17/1071500417.db2.gz QLQSFIKUTXWPHV-FQEVSTJZSA-N 1 0 456.541 3.844 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001314989421 1071503207 /nfs/dbraw/zinc/50/32/07/1071503207.db2.gz LBLIWYYZPOPCQG-NRFANRHFSA-N 1 0 470.637 3.625 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001313897428 1071502007 /nfs/dbraw/zinc/50/20/07/1071502007.db2.gz JLDBIORTCCFJBG-FGZHOGPDSA-N 1 0 468.646 3.883 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2csc(Br)c2)C1 ZINC001313897681 1071503283 /nfs/dbraw/zinc/50/32/83/1071503283.db2.gz WKVHABHWDMZZSU-KRWDZBQOSA-N 1 0 492.491 3.942 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001313897674 1071503524 /nfs/dbraw/zinc/50/35/24/1071503524.db2.gz WJWKEAGGXNZKRP-FGZHOGPDSA-N 1 0 496.700 3.596 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314990655 1071505488 /nfs/dbraw/zinc/50/54/88/1071505488.db2.gz QPNNOHSAJHIKIQ-IBGZPJMESA-N 1 0 459.038 3.825 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001314991222 1071506578 /nfs/dbraw/zinc/50/65/78/1071506578.db2.gz SRDNWCAJXMBAJP-OALUTQOASA-N 1 0 489.064 3.692 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](CCOC)C2)C1 ZINC001313899639 1071507849 /nfs/dbraw/zinc/50/78/49/1071507849.db2.gz WUIJELMEIDYZCW-HKBOAZHASA-N 1 0 476.666 3.555 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(C)=C(Br)C1 ZINC001313899228 1071507891 /nfs/dbraw/zinc/50/78/91/1071507891.db2.gz HRXNADQUGDPNIS-QGZVFWFLSA-N 1 0 465.465 3.997 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CCSC ZINC001313900962 1071510262 /nfs/dbraw/zinc/51/02/62/1071510262.db2.gz SVUFJVMPIVRPIH-FPOVZHCZSA-N 1 0 472.707 3.514 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001314993932 1071510240 /nfs/dbraw/zinc/51/02/40/1071510240.db2.gz JKICRYWSRIRJII-QFIPXVFZSA-N 1 0 482.673 3.701 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC001313901025 1071510999 /nfs/dbraw/zinc/51/09/99/1071510999.db2.gz UQLODDILNPPJSD-HSZRJFAPSA-N 1 0 484.664 3.941 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001313902511 1071513448 /nfs/dbraw/zinc/51/34/48/1071513448.db2.gz ZHPIFRCOGZLLOF-FQEVSTJZSA-N 1 0 493.574 3.904 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001313903154 1071514953 /nfs/dbraw/zinc/51/49/53/1071514953.db2.gz CEHKLTDQLYUZAQ-QFIPXVFZSA-N 1 0 467.662 3.527 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001313903782 1071516048 /nfs/dbraw/zinc/51/60/48/1071516048.db2.gz RYFWDPNFQJWFNS-QZTJIDSGSA-N 1 0 452.525 3.681 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313905072 1071520572 /nfs/dbraw/zinc/52/05/72/1071520572.db2.gz SQSAQHGNHXWBGI-XZOQPEGZSA-N 1 0 482.673 3.651 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(CCO)Cc1ccccc1 ZINC001313904464 1071518556 /nfs/dbraw/zinc/51/85/56/1071518556.db2.gz IEOQGNFDGQZWTM-ZRBLBEILSA-N 1 0 498.672 3.532 20 0 JHADRO CNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001314998630 1071518657 /nfs/dbraw/zinc/51/86/57/1071518657.db2.gz LWZBBGPRZSFLDN-JOCHJYFZSA-N 1 0 452.647 3.684 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1 ZINC001313907035 1071525712 /nfs/dbraw/zinc/52/57/12/1071525712.db2.gz VTDGHGDQERQJND-GOSISDBHSA-N 1 0 466.964 3.581 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313906845 1071525737 /nfs/dbraw/zinc/52/57/37/1071525737.db2.gz SAJHYRPMPFYSGY-IBGZPJMESA-N 1 0 469.634 3.584 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001313905563 1071522046 /nfs/dbraw/zinc/52/20/46/1071522046.db2.gz VMMXFGXZNMZUTJ-QFUCXCTJSA-N 1 0 492.462 3.965 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001313907122 1071526737 /nfs/dbraw/zinc/52/67/37/1071526737.db2.gz YCXCUILXKFIPHR-VNTMZGSJSA-N 1 0 476.666 3.537 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313907238 1071526789 /nfs/dbraw/zinc/52/67/89/1071526789.db2.gz ARLCDNJVNZDIKZ-HXOBKFHXSA-N 1 0 463.001 3.574 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313907514 1071528061 /nfs/dbraw/zinc/52/80/61/1071528061.db2.gz HBPZMKJCUVZDQE-PKOBYXMFSA-N 1 0 489.462 3.639 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001313907578 1071528252 /nfs/dbraw/zinc/52/82/52/1071528252.db2.gz IIGXHTBQIYPSTO-UGKGYDQZSA-N 1 0 454.663 3.935 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001313909121 1071531846 /nfs/dbraw/zinc/53/18/46/1071531846.db2.gz NNQBSBRKBBQXAV-IBGZPJMESA-N 1 0 476.572 3.513 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001313910034 1071533864 /nfs/dbraw/zinc/53/38/64/1071533864.db2.gz UMMLKIWKGMJRHH-JPYJTQIMSA-N 1 0 489.462 3.592 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001313910430 1071535235 /nfs/dbraw/zinc/53/52/35/1071535235.db2.gz KCYBFUJNLYCEMP-QFIPXVFZSA-N 1 0 451.619 3.977 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313913080 1071541820 /nfs/dbraw/zinc/54/18/20/1071541820.db2.gz KJBUAYWDDDOGMQ-IFMALSPDSA-N 1 0 482.673 3.731 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313911914 1071538294 /nfs/dbraw/zinc/53/82/94/1071538294.db2.gz FNHCPGYAHHUMCJ-AZUAARDMSA-N 1 0 467.536 3.807 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001315021059 1071542206 /nfs/dbraw/zinc/54/22/06/1071542206.db2.gz LIBRWWRBRVAGLL-UHFFFAOYSA-N 1 0 477.053 3.547 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313912335 1071540043 /nfs/dbraw/zinc/54/00/43/1071540043.db2.gz HPKWHOJSMQZIKV-AKHDSKFASA-N 1 0 473.584 3.839 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@@H](C)C1 ZINC001313912877 1071541059 /nfs/dbraw/zinc/54/10/59/1071541059.db2.gz OIDJWMBKYUHAEL-UNMCSNQZSA-N 1 0 490.693 3.882 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1=O ZINC001313913910 1071545514 /nfs/dbraw/zinc/54/55/14/1071545514.db2.gz QOFVPDFXRLNPAV-KOSHJBKYSA-N 1 0 474.053 3.563 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313914075 1071546175 /nfs/dbraw/zinc/54/61/75/1071546175.db2.gz QOKBIJYIIBTJPO-RPWUZVMVSA-N 1 0 455.647 3.682 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001315024077 1071546367 /nfs/dbraw/zinc/54/63/67/1071546367.db2.gz IAJVBBKICMWPQQ-SFTDATJTSA-N 1 0 484.664 3.729 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315021661 1071543082 /nfs/dbraw/zinc/54/30/82/1071543082.db2.gz OWUKQALWDRUEQP-SFHVURJKSA-N 1 0 459.038 3.683 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001313914694 1071547939 /nfs/dbraw/zinc/54/79/39/1071547939.db2.gz SYJNPTQFHARSET-GHTZIAJQSA-N 1 0 482.570 3.955 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313913705 1071544092 /nfs/dbraw/zinc/54/40/92/1071544092.db2.gz LIUFQLACIDACRI-ICSRJNTNSA-N 1 0 498.569 3.943 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313913707 1071544113 /nfs/dbraw/zinc/54/41/13/1071544113.db2.gz LIUFQLACIDACRI-QUCCMNQESA-N 1 0 498.569 3.943 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001315025930 1071550277 /nfs/dbraw/zinc/55/02/77/1071550277.db2.gz APBGUCUYACMWCM-JOCHJYFZSA-N 1 0 479.654 3.764 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1=O ZINC001313916728 1071553593 /nfs/dbraw/zinc/55/35/93/1071553593.db2.gz JHBNTDMLFTXFKM-LJQANCHMSA-N 1 0 454.575 3.581 20 0 JHADRO CCN1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[NH+](C(C)C)C(C)C)CC1=O ZINC001313916936 1071554239 /nfs/dbraw/zinc/55/42/39/1071554239.db2.gz NRIATXYTZAAQFR-UHFFFAOYSA-N 1 0 478.588 3.724 20 0 JHADRO CCN1CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)[NH+](CC)CC)CC1=O ZINC001313917296 1071554731 /nfs/dbraw/zinc/55/47/31/1071554731.db2.gz XFORIXCRMDZWTK-INIZCTEOSA-N 1 0 495.441 3.636 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313919520 1071557044 /nfs/dbraw/zinc/55/70/44/1071557044.db2.gz CFVCSPWFBNRKNZ-LJQANCHMSA-N 1 0 490.494 3.619 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001315029512 1071558424 /nfs/dbraw/zinc/55/84/24/1071558424.db2.gz WOPBDARFRUQEPD-HKUYNNGSSA-N 1 0 484.670 3.990 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313921002 1071560561 /nfs/dbraw/zinc/56/05/61/1071560561.db2.gz NJWDTUCTUGKSEJ-SFHVURJKSA-N 1 0 478.563 3.679 20 0 JHADRO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001313921494 1071561929 /nfs/dbraw/zinc/56/19/29/1071561929.db2.gz MXAIFPYBNDJRQB-JTHBVZDNSA-N 1 0 482.673 3.653 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)CCC(F)F)CC1 ZINC001313924435 1071570268 /nfs/dbraw/zinc/57/02/68/1071570268.db2.gz FVNNUMYKGPEBOR-MRXNPFEDSA-N 1 0 485.421 3.825 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccccc2F)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001315035064 1071567603 /nfs/dbraw/zinc/56/76/03/1071567603.db2.gz MSBFTRGFXMNNJV-UHFFFAOYSA-N 1 0 470.618 3.630 20 0 JHADRO CNC(=O)CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001315041123 1071573211 /nfs/dbraw/zinc/57/32/11/1071573211.db2.gz LXKTWGQHBNQBLS-FQEVSTJZSA-N 1 0 471.005 3.525 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313925676 1071574231 /nfs/dbraw/zinc/57/42/31/1071574231.db2.gz UNSYGJLRDOCRNX-LJQANCHMSA-N 1 0 498.697 3.995 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313926166 1071575358 /nfs/dbraw/zinc/57/53/58/1071575358.db2.gz ALIOSHZPZDIGAX-OAQYLSRUSA-N 1 0 476.616 3.735 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001313926303 1071576354 /nfs/dbraw/zinc/57/63/54/1071576354.db2.gz WZDWSTMOGCXTKI-PWRODBHTSA-N 1 0 470.662 3.613 20 0 JHADRO CNC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001315044966 1071576596 /nfs/dbraw/zinc/57/65/96/1071576596.db2.gz LKQZFNCNDJHGMC-OALUTQOASA-N 1 0 459.038 3.825 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313926524 1071577002 /nfs/dbraw/zinc/57/70/02/1071577002.db2.gz DGYASEVZZROVHD-GJZUVCINSA-N 1 0 454.663 3.818 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313927762 1071581192 /nfs/dbraw/zinc/58/11/92/1071581192.db2.gz LUKPAQQIJKYCKG-ZCYQVOJMSA-N 1 0 452.691 3.962 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001313927218 1071579278 /nfs/dbraw/zinc/57/92/78/1071579278.db2.gz IQHVHLNHQXPJKB-HSZRJFAPSA-N 1 0 484.689 3.585 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313927645 1071581302 /nfs/dbraw/zinc/58/13/02/1071581302.db2.gz JLVJNSNPZRBRBO-ZFGGDYGUSA-N 1 0 470.662 3.752 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2ccon2)CC1 ZINC001313927625 1071581342 /nfs/dbraw/zinc/58/13/42/1071581342.db2.gz MNZJTTHZVXLJLD-OAQYLSRUSA-N 1 0 495.672 3.805 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001313927359 1071579850 /nfs/dbraw/zinc/57/98/50/1071579850.db2.gz JXGMRQLEPYMVAY-IBGZPJMESA-N 1 0 499.107 3.535 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N(C)OC2CCCC2)CC1 ZINC001313927546 1071580611 /nfs/dbraw/zinc/58/06/11/1071580611.db2.gz MAVAGYUNCYGNSE-JOCHJYFZSA-N 1 0 470.662 3.810 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2ccon2)CC1 ZINC001313927623 1071580867 /nfs/dbraw/zinc/58/08/67/1071580867.db2.gz MNZJTTHZVXLJLD-NRFANRHFSA-N 1 0 495.672 3.805 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001313928283 1071583316 /nfs/dbraw/zinc/58/33/16/1071583316.db2.gz TYSXSBDMKVDHQW-YIXXDRMTSA-N 1 0 484.689 3.505 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3cc(F)cc(F)c3C2)CC1 ZINC001313928615 1071584466 /nfs/dbraw/zinc/58/44/66/1071584466.db2.gz MKQVJPCXHBOPAH-GOSISDBHSA-N 1 0 460.617 3.734 20 0 JHADRO CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)N1CC[NH+](CC)CC1)C1CCCC1 ZINC001313929073 1071585828 /nfs/dbraw/zinc/58/58/28/1071585828.db2.gz XHKXNWRBBUYOMJ-FQEVSTJZSA-N 1 0 458.626 3.791 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313930078 1071588253 /nfs/dbraw/zinc/58/82/53/1071588253.db2.gz VAGBLAMIPFKTLN-NZQKXSOJSA-N 1 0 474.694 3.612 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313930954 1071590750 /nfs/dbraw/zinc/59/07/50/1071590750.db2.gz OWCIMGJNWJHRBF-QZTJIDSGSA-N 1 0 486.558 3.972 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@@H]2c2ccc(COC)o2)CC1 ZINC001313931339 1071591923 /nfs/dbraw/zinc/59/19/23/1071591923.db2.gz XYALSEZLNJEXTL-IFMALSPDSA-N 1 0 458.651 3.584 20 0 JHADRO COC(=O)[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001315090190 1071593514 /nfs/dbraw/zinc/59/35/14/1071593514.db2.gz FSHPHMUWICIQEL-LHSJRXKWSA-N 1 0 484.453 3.689 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(N(C)CCOCc4ccccc4)nnc3C(C)(C)C)cn2)CC1 ZINC001313932609 1071595501 /nfs/dbraw/zinc/59/55/01/1071595501.db2.gz HOVXFKIKJXRATG-UHFFFAOYSA-N 1 0 491.684 3.814 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2CCC(OC)CC2)C[C@H]1C ZINC001313934864 1071603582 /nfs/dbraw/zinc/60/35/82/1071603582.db2.gz UUDJGJRHDDVFPO-HVIUMASTSA-N 1 0 468.646 3.883 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C(F)(F)F)C[C@@H]1C ZINC001313935535 1071605480 /nfs/dbraw/zinc/60/54/80/1071605480.db2.gz HDDQWQQMLLGNFA-HNNXBMFYSA-N 1 0 453.509 3.835 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCCC2(C)C)C[C@@H]1C ZINC001313935459 1071606075 /nfs/dbraw/zinc/60/60/75/1071606075.db2.gz WYYMLHSSAZQIKA-AOMKIAJQSA-N 1 0 479.467 3.518 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(F)F)C[C@@H]1C ZINC001313936745 1071609728 /nfs/dbraw/zinc/60/97/28/1071609728.db2.gz IDCKIILHXGFZGE-ZWKOTPCHSA-N 1 0 470.609 3.968 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2sccc2Br)C[C@H]1C ZINC001313935786 1071606735 /nfs/dbraw/zinc/60/67/35/1071606735.db2.gz YQYPZHHJQYOWQL-IIBYNOLFSA-N 1 0 498.491 3.721 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313937335 1071610918 /nfs/dbraw/zinc/61/09/18/1071610918.db2.gz LGAFCXCNSVPJBE-MRXNPFEDSA-N 1 0 452.525 3.959 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H](C)OC)C[C@H]1C ZINC001313940601 1071615465 /nfs/dbraw/zinc/61/54/65/1071615465.db2.gz OPRSIMKYWRRCHQ-RTBURBONSA-N 1 0 450.027 3.817 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCc3ccccc3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001313940531 1071615531 /nfs/dbraw/zinc/61/55/31/1071615531.db2.gz NDBTZLPSDISBDG-LJQANCHMSA-N 1 0 488.558 3.978 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3OC)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313938513 1071612151 /nfs/dbraw/zinc/61/21/51/1071612151.db2.gz JXLUULDKGZBINR-SFHVURJKSA-N 1 0 480.579 3.758 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313939006 1071612592 /nfs/dbraw/zinc/61/25/92/1071612592.db2.gz ZQBSENKGRUYRBF-FDFHNCONSA-N 1 0 490.693 3.882 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCSCC(F)(F)F)C[C@H]1C ZINC001313938940 1071612666 /nfs/dbraw/zinc/61/26/66/1071612666.db2.gz YPWONNPKPXEZIX-QAPCUYQASA-N 1 0 471.549 3.617 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2sccc2Br)C[C@@H]1C ZINC001313938717 1071612820 /nfs/dbraw/zinc/61/28/20/1071612820.db2.gz WYLYMDXULZCITE-LSDHHAIUSA-N 1 0 454.438 3.575 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CCNc2ncc(Cl)cc2Cl)C[C@@H]1C ZINC001313939666 1071613498 /nfs/dbraw/zinc/61/34/98/1071613498.db2.gz SHPUCUJWEXQSQD-HNNXBMFYSA-N 1 0 461.401 3.684 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2ccnc2C)C[C@H]1C ZINC001313941363 1071616802 /nfs/dbraw/zinc/61/68/02/1071616802.db2.gz BQNFHMVVQHPHRS-HXUWFJFHSA-N 1 0 465.646 3.890 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCc2ccn(C)n2)C[C@@H]1C ZINC001313941286 1071616990 /nfs/dbraw/zinc/61/69/90/1071616990.db2.gz TWVQILVNASIHNG-FQEVSTJZSA-N 1 0 486.064 3.758 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCc2nc(C)cs2)C[C@@H]1C ZINC001313941659 1071618162 /nfs/dbraw/zinc/61/81/62/1071618162.db2.gz FCCBEBHAQCXOBP-SFHVURJKSA-N 1 0 487.699 3.588 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313943110 1071621881 /nfs/dbraw/zinc/62/18/81/1071621881.db2.gz PVQBRGBBUNCCSW-FQEVSTJZSA-N 1 0 472.634 3.563 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313945536 1071626834 /nfs/dbraw/zinc/62/68/34/1071626834.db2.gz IYOAPJPEWHTTPR-RTBURBONSA-N 1 0 474.625 3.699 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CCC(C)C)C2)CC1 ZINC001313945896 1071627253 /nfs/dbraw/zinc/62/72/53/1071627253.db2.gz WZMCWMBNNNCQID-RBBKRZOGSA-N 1 0 458.626 3.820 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC001313943297 1071622635 /nfs/dbraw/zinc/62/26/35/1071622635.db2.gz RHIHXNSBEHKIAZ-KRWDZBQOSA-N 1 0 493.990 3.973 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCCOc3ccc(F)cc3)C2)CC1 ZINC001313946202 1071627833 /nfs/dbraw/zinc/62/78/33/1071627833.db2.gz ACEJDBBUCCKZEF-JOCHJYFZSA-N 1 0 472.653 3.691 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313946812 1071629853 /nfs/dbraw/zinc/62/98/53/1071629853.db2.gz CGRVEAXPUVLXKU-CEWLAPEOSA-N 1 0 490.693 3.594 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC001313947077 1071630842 /nfs/dbraw/zinc/63/08/42/1071630842.db2.gz VMXXWYPYAZUAIF-LJQANCHMSA-N 1 0 473.065 3.844 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc4cccnc43)nnc2N(C)CCC(F)F)CC1 ZINC001313947988 1071633311 /nfs/dbraw/zinc/63/33/11/1071633311.db2.gz BDQIXGSDLMXTFV-LJQANCHMSA-N 1 0 471.600 3.858 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)Cc2ccccn2)CC1 ZINC001313948664 1071634455 /nfs/dbraw/zinc/63/44/55/1071634455.db2.gz FLUJWJNQZXNVLS-FQEVSTJZSA-N 1 0 498.075 3.912 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001313948681 1071634552 /nfs/dbraw/zinc/63/45/52/1071634552.db2.gz FOYOJMXOXFPXOM-HXUWFJFHSA-N 1 0 472.678 3.904 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCCc3cc(OC)ccc3OC)C2)CC1 ZINC001313949167 1071635889 /nfs/dbraw/zinc/63/58/89/1071635889.db2.gz VOSQZIGJBNTXKS-HSZRJFAPSA-N 1 0 498.716 3.733 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3cscc3C(F)(F)F)C2)CC1 ZINC001313949574 1071636921 /nfs/dbraw/zinc/63/69/21/1071636921.db2.gz ZNKSOXDVEAWEIH-GOSISDBHSA-N 1 0 470.609 3.821 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313949736 1071636954 /nfs/dbraw/zinc/63/69/54/1071636954.db2.gz RAEPJABKUPNFTG-MRXNPFEDSA-N 1 0 489.393 3.732 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313950440 1071638188 /nfs/dbraw/zinc/63/81/88/1071638188.db2.gz PHYLZGJCAMTKJC-HKUYNNGSSA-N 1 0 468.568 3.899 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)C2CCC2)CC1 ZINC001313951248 1071641225 /nfs/dbraw/zinc/64/12/25/1071641225.db2.gz SCNKVBSQARKDHL-SFHVURJKSA-N 1 0 475.479 3.970 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC[C@@H](c4noc(C(C)C)n4)C3)nnc2C(C)(C)C)CC1 ZINC001313952188 1071644875 /nfs/dbraw/zinc/64/48/75/1071644875.db2.gz OPHXNNRUXKJVEI-LEWJYISDSA-N 1 0 486.709 3.740 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001313952504 1071645782 /nfs/dbraw/zinc/64/57/82/1071645782.db2.gz FNVCFSGYAVUYQE-KNQAVFIVSA-N 1 0 475.081 3.733 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313952707 1071646505 /nfs/dbraw/zinc/64/65/05/1071646505.db2.gz AMYALSVGOCMANW-HXUWFJFHSA-N 1 0 498.594 3.812 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313952958 1071647024 /nfs/dbraw/zinc/64/70/24/1071647024.db2.gz VKDAWKUQPLBSGQ-ZLNRFVROSA-N 1 0 486.730 3.766 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3OC)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313953680 1071649540 /nfs/dbraw/zinc/64/95/40/1071649540.db2.gz HSBXLVVSYUBBRO-HSZRJFAPSA-N 1 0 468.690 3.922 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2nc3ccccc3s2)CC1 ZINC001313955934 1071656700 /nfs/dbraw/zinc/65/67/00/1071656700.db2.gz IZLSPASGEVNMNN-HXUWFJFHSA-N 1 0 469.703 3.996 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cc(C)cs2)CC1 ZINC001313954434 1071651830 /nfs/dbraw/zinc/65/18/30/1071651830.db2.gz QSVXKUHVKNNUCN-QFIPXVFZSA-N 1 0 460.692 3.944 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313954596 1071652479 /nfs/dbraw/zinc/65/24/79/1071652479.db2.gz RZEVSDMNUHGSQM-OAQYLSRUSA-N 1 0 478.607 3.907 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313956212 1071657274 /nfs/dbraw/zinc/65/72/74/1071657274.db2.gz XTNXRSNGPGXWQU-PKTZIBPZSA-N 1 0 461.658 3.854 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](COC)C2)CC1 ZINC001313956004 1071657550 /nfs/dbraw/zinc/65/75/50/1071657550.db2.gz XAGUZFKSJMOCRK-NHCUHLMSSA-N 1 0 475.081 3.735 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313958087 1071662491 /nfs/dbraw/zinc/66/24/91/1071662491.db2.gz TVWZPJATRNKEHW-DENIHFKCSA-N 1 0 491.775 3.629 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001313956616 1071657936 /nfs/dbraw/zinc/65/79/36/1071657936.db2.gz ZBHYDXPASZRLNP-NRFANRHFSA-N 1 0 477.657 3.567 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccccc3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001313957454 1071660659 /nfs/dbraw/zinc/66/06/59/1071660659.db2.gz HCKVSNQGLBLHMK-UHFFFAOYSA-N 1 0 462.646 3.523 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313957649 1071661140 /nfs/dbraw/zinc/66/11/40/1071661140.db2.gz REIHMPNYTFTFHA-SFHVURJKSA-N 1 0 467.008 3.641 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313957738 1071661260 /nfs/dbraw/zinc/66/12/60/1071661260.db2.gz YSDSLYWYWOVXAD-UHFFFAOYSA-N 1 0 466.596 3.948 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313957956 1071662372 /nfs/dbraw/zinc/66/23/72/1071662372.db2.gz SRTWGGXVOZBXKH-RLWLMLJZSA-N 1 0 488.746 3.845 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001313958081 1071663137 /nfs/dbraw/zinc/66/31/37/1071663137.db2.gz PCZOTQVNPFFCTJ-UHFFFAOYSA-N 1 0 476.000 3.698 20 0 JHADRO CCn1nc(-c2nnc(N(C)CC(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)c2ccccc2c1=O ZINC001313958455 1071663951 /nfs/dbraw/zinc/66/39/51/1071663951.db2.gz CETHZOFLAMIQKL-FQEVSTJZSA-N 1 0 465.646 3.889 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccccc3F)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313958941 1071665301 /nfs/dbraw/zinc/66/53/01/1071665301.db2.gz XWTCLRYVLUHKFC-VWLOTQADSA-N 1 0 458.626 3.507 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001313961508 1071672844 /nfs/dbraw/zinc/67/28/44/1071672844.db2.gz UPOFIOPBFFVETF-LVXARBLLSA-N 1 0 488.652 3.590 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313964877 1071682002 /nfs/dbraw/zinc/68/20/02/1071682002.db2.gz FZINDAOWYLWMKV-UHFFFAOYSA-N 1 0 478.588 3.629 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313967502 1071689437 /nfs/dbraw/zinc/68/94/37/1071689437.db2.gz OSOLVSUWGHFJGT-UHFFFAOYSA-N 1 0 477.053 3.690 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313976215 1071707609 /nfs/dbraw/zinc/70/76/09/1071707609.db2.gz CBMIIFMFYPRKGO-UHFFFAOYSA-N 1 0 488.702 3.662 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313977383 1071710670 /nfs/dbraw/zinc/71/06/70/1071710670.db2.gz MPYGVLYDARVAEQ-OALUTQOASA-N 1 0 488.702 3.660 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(CC)nnc2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC001313985501 1071723639 /nfs/dbraw/zinc/72/36/39/1071723639.db2.gz UEJGPPVPYQFXGL-QFIPXVFZSA-N 1 0 452.647 3.731 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(C3CCCC3)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)c1 ZINC001313986229 1071724033 /nfs/dbraw/zinc/72/40/33/1071724033.db2.gz HSUIQSVIDVUCME-NRFANRHFSA-N 1 0 452.647 3.902 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001313994332 1071728647 /nfs/dbraw/zinc/72/86/47/1071728647.db2.gz LKXUATOXZZFUET-HXUWFJFHSA-N 1 0 488.061 3.814 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC001313998650 1071735195 /nfs/dbraw/zinc/73/51/95/1071735195.db2.gz QGUQPXYMHAMUFE-FQEVSTJZSA-N 1 0 471.650 3.538 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C)n2CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001314007929 1071743813 /nfs/dbraw/zinc/74/38/13/1071743813.db2.gz JXYMQMNOZFQKCW-NZQKXSOJSA-N 1 0 468.646 3.944 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001314013922 1071752587 /nfs/dbraw/zinc/75/25/87/1071752587.db2.gz LRNJLAONVLTCQZ-OAQYLSRUSA-N 1 0 483.661 3.765 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001314013302 1071750183 /nfs/dbraw/zinc/75/01/83/1071750183.db2.gz DTJSFHFTLLZTKB-QFIPXVFZSA-N 1 0 456.635 3.979 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001314015077 1071756723 /nfs/dbraw/zinc/75/67/23/1071756723.db2.gz BUUNPLYROYBMII-UHFFFAOYSA-N 1 0 486.636 3.941 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001314015563 1071757291 /nfs/dbraw/zinc/75/72/91/1071757291.db2.gz AQBVAZLQEAZILD-HXUWFJFHSA-N 1 0 479.629 3.811 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CCC[N@H+](C)C(C)C)CC1 ZINC001314016557 1071760189 /nfs/dbraw/zinc/76/01/89/1071760189.db2.gz KFPXVKLWYYAOJM-UHFFFAOYSA-N 1 0 479.629 3.811 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001314022809 1071776946 /nfs/dbraw/zinc/77/69/46/1071776946.db2.gz QZRSQRVMICPHFD-OAQYLSRUSA-N 1 0 477.613 3.529 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001314024635 1071783255 /nfs/dbraw/zinc/78/32/55/1071783255.db2.gz HDNARKDWJGZEDO-OAQYLSRUSA-N 1 0 468.646 3.578 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001314024668 1071783341 /nfs/dbraw/zinc/78/33/41/1071783341.db2.gz HRRVNOHHLOBDNU-SFTDATJTSA-N 1 0 486.636 3.655 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001314027280 1071792171 /nfs/dbraw/zinc/79/21/71/1071792171.db2.gz DNWRCBRNHSQYDD-UXHICEINSA-N 1 0 458.607 3.682 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001314031707 1071806553 /nfs/dbraw/zinc/80/65/53/1071806553.db2.gz JUYPCOWNTFCCPJ-LEWJYISDSA-N 1 0 454.619 3.843 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001314034549 1071818069 /nfs/dbraw/zinc/81/80/69/1071818069.db2.gz UPVWHERWOTWUIA-CTNGQTDRSA-N 1 0 454.619 3.700 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)CC)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001314035641 1071823545 /nfs/dbraw/zinc/82/35/45/1071823545.db2.gz LGXNPHQHKXUVPT-DNVJHFABSA-N 1 0 497.688 3.717 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001314038194 1071833105 /nfs/dbraw/zinc/83/31/05/1071833105.db2.gz PXQPNDZFHSJJPE-XZOQPEGZSA-N 1 0 468.646 3.767 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001314038193 1071833137 /nfs/dbraw/zinc/83/31/37/1071833137.db2.gz PXQPNDZFHSJJPE-PKTZIBPZSA-N 1 0 468.646 3.767 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001314038325 1071833715 /nfs/dbraw/zinc/83/37/15/1071833715.db2.gz XDPMPTYTYWNYJJ-CEXWTWQISA-N 1 0 488.608 3.755 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CC[NH+]2CCCCCC2)C1 ZINC001314043205 1071851243 /nfs/dbraw/zinc/85/12/43/1071851243.db2.gz BQHVWLDXILVUCM-HSZRJFAPSA-N 1 0 468.646 3.654 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001314046573 1071863207 /nfs/dbraw/zinc/86/32/07/1071863207.db2.gz WERJWBVYKPRQAU-TZIWHRDSSA-N 1 0 474.675 3.910 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CCOC1 ZINC001314076234 1071933526 /nfs/dbraw/zinc/93/35/26/1071933526.db2.gz ZWKHMLJQUMQJOX-DHTSOJEISA-N 1 0 469.586 3.729 20 0 JHADRO CCO[C@]1(c2nnc(N(C)CC(C)C)n2CC2CC[NH+](Cc3cccs3)CC2)CCOC1 ZINC001314079557 1071939786 /nfs/dbraw/zinc/93/97/86/1071939786.db2.gz CJILJMQOEIEFBM-XMMPIXPASA-N 1 0 461.676 3.996 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC[N@H+]2CC=CCC2)CCOC1 ZINC001314081282 1071943663 /nfs/dbraw/zinc/94/36/63/1071943663.db2.gz XHJMBWSPUXLVNE-HOYKHHGWSA-N 1 0 461.557 3.668 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3cccc(F)c3)n2CC(C)(C)C[NH+]2CCCC2)CCOC1 ZINC001314082617 1071946620 /nfs/dbraw/zinc/94/66/20/1071946620.db2.gz NFCJUTSTKAQDMQ-VWLOTQADSA-N 1 0 459.610 3.828 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001314084348 1071951376 /nfs/dbraw/zinc/95/13/76/1071951376.db2.gz XHNHDZFDSPFCKA-VWLOTQADSA-N 1 0 459.610 3.970 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)CC3CCCCC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCOC1 ZINC001314090407 1071967060 /nfs/dbraw/zinc/96/70/60/1071967060.db2.gz GWOXBBHQDZAOOH-SANMLTNESA-N 1 0 477.694 3.836 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)n2CCOC(C)(C)C)CCOC1 ZINC001314108083 1072000507 /nfs/dbraw/zinc/00/05/07/1072000507.db2.gz UERBANDRPYXQNL-AMGIVPHBSA-N 1 0 485.673 3.846 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[C@@H](c4ccc(F)cc4)C3)n2C[C@@H](C)[NH+](CC)CC)CCOC1 ZINC001314112930 1072008245 /nfs/dbraw/zinc/00/82/45/1072008245.db2.gz NHVJHDOYNFMZGF-DZRGJMJISA-N 1 0 459.610 3.794 20 0 JHADRO 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/nfs/dbraw/zinc/06/63/08/1069066308.db2.gz WXNZCUSXYLAJLK-YADHBBJMSA-N 1 0 498.672 3.722 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001306501848 1069067200 /nfs/dbraw/zinc/06/72/00/1069067200.db2.gz YCFFPMLHSZCXGA-PMACEKPBSA-N 1 0 490.599 3.916 20 0 JHADRO COc1cc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(OC)c(C)c1OC ZINC001310635919 1069073779 /nfs/dbraw/zinc/07/37/79/1069073779.db2.gz STXAMLCPVXYDLX-IAGOWNOFSA-N 1 0 457.571 3.952 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C[N@H+](C)CC)c2)C1 ZINC001306505050 1069080113 /nfs/dbraw/zinc/08/01/13/1069080113.db2.gz LREWCYTWHJUFBN-XZOQPEGZSA-N 1 0 468.646 3.515 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CC=CCC2)C1 ZINC001306505525 1069082655 /nfs/dbraw/zinc/08/26/55/1069082655.db2.gz OTXWICZURPDZTJ-HSZRJFAPSA-N 1 0 480.657 3.621 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001306505892 1069084055 /nfs/dbraw/zinc/08/40/55/1069084055.db2.gz PKGJCIBEWRLBEG-LADGPHEKSA-N 1 0 496.700 3.905 20 0 JHADRO C[C@H](CNC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC001310651828 1069086078 /nfs/dbraw/zinc/08/60/78/1069086078.db2.gz WLUZUCLSJAOJMK-CQSZACIVSA-N 1 0 453.374 3.581 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001306506897 1069088123 /nfs/dbraw/zinc/08/81/23/1069088123.db2.gz UUDLBBICLUNPQK-FGZHOGPDSA-N 1 0 468.646 3.535 20 0 JHADRO CC(C)(C)OC(=O)CCc1cccc(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC001310675498 1069103239 /nfs/dbraw/zinc/10/32/39/1069103239.db2.gz AWUFRAXMYADDJH-HSZRJFAPSA-N 1 0 453.583 3.502 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001306511159 1069104506 /nfs/dbraw/zinc/10/45/06/1069104506.db2.gz SLXMCQDECICORZ-OAQYLSRUSA-N 1 0 475.641 3.746 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1)c1cccs1 ZINC001310681804 1069107104 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NDJAEJIGWQYBOK-UHFFFAOYSA-N 1 0 459.388 3.857 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(CCc3ccccc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001306517207 1069125955 /nfs/dbraw/zinc/12/59/55/1069125955.db2.gz RKNJMXVMDHLWBK-UHFFFAOYSA-N 1 0 466.674 3.823 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(C3CCC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001306517750 1069129007 /nfs/dbraw/zinc/12/90/07/1069129007.db2.gz BPETWYBZQJLJQW-OFNKIYASSA-N 1 0 452.647 3.981 20 0 JHADRO COc1c(NC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)cc(Cl)cc1C(=O)N(C)C ZINC001310717590 1069131484 /nfs/dbraw/zinc/13/14/84/1069131484.db2.gz GDMJBGJDWFJUNX-IBGZPJMESA-N 1 0 458.990 3.831 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306518518 1069133075 /nfs/dbraw/zinc/13/30/75/1069133075.db2.gz NPUSNJCKBHADFG-GPXNEJASSA-N 1 0 481.689 3.517 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001306519670 1069137817 /nfs/dbraw/zinc/13/78/17/1069137817.db2.gz QFHXSCSMYOECMK-HSZRJFAPSA-N 1 0 496.700 3.751 20 0 JHADRO COC(=O)c1cnn(C)c1NC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001310771006 1069156022 /nfs/dbraw/zinc/15/60/22/1069156022.db2.gz CQVSNNUPBBWOGB-QFIPXVFZSA-N 1 0 453.587 3.895 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306527080 1069157288 /nfs/dbraw/zinc/15/72/88/1069157288.db2.gz CZVLEUWTWCXGGW-DHLKQENFSA-N 1 0 475.081 3.754 20 0 JHADRO O=C(Nc1cc(Cl)ccc1I)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001310777380 1069158297 /nfs/dbraw/zinc/15/82/97/1069158297.db2.gz YJRYBSAQEFMWPP-TZMCWYRMSA-N 1 0 451.761 3.646 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001306529725 1069166988 /nfs/dbraw/zinc/16/69/88/1069166988.db2.gz OSXHJFJHKINDHF-WZONZLPQSA-N 1 0 466.001 3.590 20 0 JHADRO COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC001310797897 1069167023 /nfs/dbraw/zinc/16/70/23/1069167023.db2.gz RRSFWSCKWMDOPB-LJQANCHMSA-N 1 0 458.584 3.506 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306533952 1069176776 /nfs/dbraw/zinc/17/67/76/1069176776.db2.gz XJNRDBJCPZEUSW-CPJSRVTESA-N 1 0 475.081 3.754 20 0 JHADRO Cc1c(NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cnn1-c1ccc(Cl)cc1 ZINC001310831803 1069183806 /nfs/dbraw/zinc/18/38/06/1069183806.db2.gz GKXMSBIBOYNEMS-DEOSSOPVSA-N 1 0 453.974 3.935 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC001310836483 1069186205 /nfs/dbraw/zinc/18/62/05/1069186205.db2.gz FAENYBXTDOTNGI-HXUWFJFHSA-N 1 0 454.550 3.659 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)CC1 ZINC001310843363 1069189330 /nfs/dbraw/zinc/18/93/30/1069189330.db2.gz AOFQSJSAOJOQRU-MRXNPFEDSA-N 1 0 452.546 3.938 20 0 JHADRO CCC[C@@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001306542330 1069192324 /nfs/dbraw/zinc/19/23/24/1069192324.db2.gz LOZYCISYHOKYQR-AREMUKBSSA-N 1 0 467.662 3.626 20 0 JHADRO CN(C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001310866528 1069199443 /nfs/dbraw/zinc/19/94/43/1069199443.db2.gz WMETVEZWQRNDOZ-NRFANRHFSA-N 1 0 458.628 3.892 20 0 JHADRO Cc1c(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)cccc1S(=O)(=O)N(C)C ZINC001310869320 1069200514 /nfs/dbraw/zinc/20/05/14/1069200514.db2.gz ISUVSLJQMGDNJT-IHPCNDPISA-N 1 0 458.628 3.761 20 0 JHADRO CCC1([NH+](C)C)CCN(C(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)CC1 ZINC001310875912 1069203258 /nfs/dbraw/zinc/20/32/58/1069203258.db2.gz SEEXYKGTVXZSBX-UHFFFAOYSA-N 1 0 457.388 3.763 20 0 JHADRO CCOC(=O)Cc1cnc(NC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)s1 ZINC001310884885 1069208960 /nfs/dbraw/zinc/20/89/60/1069208960.db2.gz TXPHDRWSBJEBDI-HNNXBMFYSA-N 1 0 454.955 3.827 20 0 JHADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)Nc2nc3c(s2)CC(C)(C)CC3)CC1 ZINC001310894121 1069212790 /nfs/dbraw/zinc/21/27/90/1069212790.db2.gz ITYGAMKKJFCGCM-UHFFFAOYSA-N 1 0 451.637 3.769 20 0 JHADRO O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001310906280 1069217605 /nfs/dbraw/zinc/21/76/05/1069217605.db2.gz HYOLNLFXCUVNAZ-RBUKOAKNSA-N 1 0 451.493 3.781 20 0 JHADRO CCC[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC001306552613 1069218452 /nfs/dbraw/zinc/21/84/52/1069218452.db2.gz XPTOACKSEVJCAT-WCYRKSIYSA-N 1 0 468.690 3.819 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CC[NH+](C)CC1 ZINC001306555719 1069223259 /nfs/dbraw/zinc/22/32/59/1069223259.db2.gz MYTHGWKRXNNREB-GOSISDBHSA-N 1 0 459.664 3.625 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCSCC1 ZINC001306557130 1069226035 /nfs/dbraw/zinc/22/60/35/1069226035.db2.gz BTTCLJFWHXPRPH-HNNXBMFYSA-N 1 0 455.470 3.957 20 0 JHADRO CC(C)C[C@@H](CNC(=O)c1cn(C)nc1I)[NH2+][C@H](C)c1ccccc1 ZINC001306561880 1069231162 /nfs/dbraw/zinc/23/11/62/1069231162.db2.gz VYFKBWLSOHLOMP-ZBFHGGJFSA-N 1 0 454.356 3.520 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001306567184 1069234678 /nfs/dbraw/zinc/23/46/78/1069234678.db2.gz PIZXJBQRLAVWBA-VQTJNVASSA-N 1 0 461.614 3.997 20 0 JHADRO C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001310963069 1069235233 /nfs/dbraw/zinc/23/52/33/1069235233.db2.gz WBXFTILKDMPUDS-SFHVURJKSA-N 1 0 451.596 3.795 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001306572971 1069240068 /nfs/dbraw/zinc/24/00/68/1069240068.db2.gz GSRXNLVHGPDFFA-HXUWFJFHSA-N 1 0 470.662 3.615 20 0 JHADRO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(C3CCC3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306583430 1069247412 /nfs/dbraw/zinc/24/74/12/1069247412.db2.gz AFYITXWWVGFSFR-CTNGQTDRSA-N 1 0 476.735 3.894 20 0 JHADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001306584316 1069249855 /nfs/dbraw/zinc/24/98/55/1069249855.db2.gz GQOGAAUKMUOGIT-FDFHNCONSA-N 1 0 474.694 3.568 20 0 JHADRO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC2([NH+](C)C)CCC2)C1 ZINC001306585043 1069250685 /nfs/dbraw/zinc/25/06/85/1069250685.db2.gz KWMINYWWXMMPSC-TZIWHRDSSA-N 1 0 467.662 3.654 20 0 JHADRO COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC001311085156 1069268274 /nfs/dbraw/zinc/26/82/74/1069268274.db2.gz XGHKOQPSYLBQBG-KEZOAJOQSA-N 1 0 456.631 3.764 20 0 JHADRO CCCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001306598202 1069273990 /nfs/dbraw/zinc/27/39/90/1069273990.db2.gz DDTAHKOWLRGGQW-WOJBJXKFSA-N 1 0 488.702 3.695 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC001311125133 1069279873 /nfs/dbraw/zinc/27/98/73/1069279873.db2.gz XPDIPSOOVZRGNU-HXUWFJFHSA-N 1 0 451.571 3.957 20 0 JHADRO Cc1cc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc(S(C)(=O)=O)c1 ZINC001311150422 1069285055 /nfs/dbraw/zinc/28/50/55/1069285055.db2.gz TUWIOKSYJMVRLL-UHFFFAOYSA-N 1 0 459.612 3.591 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC001311162333 1069286613 /nfs/dbraw/zinc/28/66/13/1069286613.db2.gz CCLILSLCBCGINY-DENIHFKCSA-N 1 0 457.619 3.740 20 0 JHADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001311164359 1069287919 /nfs/dbraw/zinc/28/79/19/1069287919.db2.gz VKFNLXPZWOXEGM-TXTKFYIRSA-N 1 0 471.646 3.986 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001306615628 1069296196 /nfs/dbraw/zinc/29/61/96/1069296196.db2.gz BNUXSKRUDPBZGJ-GOSISDBHSA-N 1 0 465.440 3.917 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)[C@H](C)CC)CCO1 ZINC001306616488 1069298406 /nfs/dbraw/zinc/29/84/06/1069298406.db2.gz HBFYNRHOHPRRTR-WBVHZDCISA-N 1 0 453.429 3.771 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2cc(C)on2)CC[N@@H+]1CCOC ZINC001306616469 1069298428 /nfs/dbraw/zinc/29/84/28/1069298428.db2.gz GWNBTAFOGCXZQE-OAQYLSRUSA-N 1 0 458.994 3.880 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001306616908 1069298715 /nfs/dbraw/zinc/29/87/15/1069298715.db2.gz KDXDOHKELUDTBX-NRFANRHFSA-N 1 0 491.080 3.698 20 0 JHADRO CCC[C@H]1CN(c2nnc(C)n2CCc2ccc(OC)c(Br)c2)CC[N@@H+]1CCOC ZINC001306619160 1069302833 /nfs/dbraw/zinc/30/28/33/1069302833.db2.gz YBBRJJKSDIYNSR-IBGZPJMESA-N 1 0 480.451 3.537 20 0 JHADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2)[NH+](C)C ZINC001311244465 1069306750 /nfs/dbraw/zinc/30/67/50/1069306750.db2.gz ZFAWQBCSDXFPKD-LAUBAEHRSA-N 1 0 456.591 3.755 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)N2CC[NH+](CC)CC2)CCO1 ZINC001306620608 1069307615 /nfs/dbraw/zinc/30/76/15/1069307615.db2.gz QVTRCLPZQSCKII-XUZZJYLKSA-N 1 0 454.663 3.539 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cc(C)no2)CC[N@@H+]1CCOC ZINC001306621292 1069309662 /nfs/dbraw/zinc/30/96/62/1069309662.db2.gz ABCVTWGJPQRZQA-LJQANCHMSA-N 1 0 489.020 3.889 20 0 JHADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)cnc1Cl ZINC001164389101 718816039 /nfs/dbraw/zinc/81/60/39/718816039.db2.gz SXFSFGYWELRALE-CQSZACIVSA-N 1 0 461.884 3.584 20 0 JHADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@@H]4OCC(F)(F)[C@@H]4C3)c21 ZINC001164426280 718926964 /nfs/dbraw/zinc/92/69/64/718926964.db2.gz ZCYTWPMTXYYWKN-MSOLQXFVSA-N 1 0 475.923 3.867 20 0 JHADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@@H]4OCC(F)(F)[C@H]4C3)c21 ZINC001164426282 718927703 /nfs/dbraw/zinc/92/77/03/718927703.db2.gz ZCYTWPMTXYYWKN-ROUUACIJSA-N 1 0 475.923 3.867 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)C2 ZINC001164617794 719008843 /nfs/dbraw/zinc/00/88/43/719008843.db2.gz PWVGFFOEUIPTRI-HRAATJIYSA-N 1 0 452.933 3.911 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3C4(CC[C@]3(C(=O)OCC)C2)CC[NH2+]CC4)c(Cl)n1 ZINC001164618225 719009924 /nfs/dbraw/zinc/00/99/24/719009924.db2.gz REUCOTPDJBTYJH-VGSWGCGISA-N 1 0 485.959 3.606 20 0 JHADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164624766 719045028 /nfs/dbraw/zinc/04/50/28/719045028.db2.gz OWSKSSACKCGADV-PGRDOPGGSA-N 1 0 462.928 3.825 20 0 JHADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164625377 719056342 /nfs/dbraw/zinc/05/63/42/719056342.db2.gz PJMYLCKKZVNORT-FUHWJXTLSA-N 1 0 450.917 3.952 20 0 JHADRO O=C(Nc1nncs1)c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164630928 719101884 /nfs/dbraw/zinc/10/18/84/719101884.db2.gz XRFIJYASHLAIJT-VQIMIIECSA-N 1 0 454.987 3.940 20 0 JHADRO [NH3+]C1([C@@H]2CN([C@]3(F)CN(Cc4ccccc4)Cc4c(Cl)nc(Cl)nc43)C[C@@H]2CF)CC1 ZINC001164620066 719119719 /nfs/dbraw/zinc/11/97/19/719119719.db2.gz GORSJONVYSZACR-LBUQITIBSA-N 1 0 468.379 3.930 20 0 JHADRO C[C@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)[C@@H](C)CN1C ZINC001164643613 719228511 /nfs/dbraw/zinc/22/85/11/719228511.db2.gz ZPIZVBDQRPLMTG-ROUUACIJSA-N 1 0 455.002 3.926 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2ccnc(N(C)C)n2)C3)nc1 ZINC001164664186 719357720 /nfs/dbraw/zinc/35/77/20/719357720.db2.gz LVABJFUPBPNBOZ-CUBQBAPOSA-N 1 0 493.700 3.998 20 0 JHADRO COC(=O)c1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)c1 ZINC001164680247 719655599 /nfs/dbraw/zinc/65/55/99/719655599.db2.gz DNDLXQJHGXRQAU-SFHVURJKSA-N 1 0 485.028 3.615 20 0 JHADRO CSc1nc(Cl)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683194 719656256 /nfs/dbraw/zinc/65/62/56/719656256.db2.gz UWHJWNYJMSNLED-KRWDZBQOSA-N 1 0 474.074 3.945 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nnc(Cl)cc3Cl)CC2)c2ccccc21 ZINC001164685226 719658765 /nfs/dbraw/zinc/65/87/65/719658765.db2.gz YOGORKHRFNERFC-MRXNPFEDSA-N 1 0 462.425 3.877 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN([C@H](F)Oc3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164683126 719663781 /nfs/dbraw/zinc/66/37/81/719663781.db2.gz USOMXDPMTOQJMK-UUOWRZLLSA-N 1 0 475.008 3.956 20 0 JHADRO CSc1nc(Cl)ncc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164686833 719667923 /nfs/dbraw/zinc/66/79/23/719667923.db2.gz XIRHJQJIOHTEPH-QGZVFWFLSA-N 1 0 474.074 3.945 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN([C@@H](F)Oc3ccc(Cl)nc3)CC2)c2ccccc21 ZINC001164680763 719668981 /nfs/dbraw/zinc/66/89/81/719668981.db2.gz HIWLLQPMVZRURZ-MHECFPHRSA-N 1 0 475.008 3.956 20 0 JHADRO CCOc1c(Cl)ncnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685901 719670985 /nfs/dbraw/zinc/67/09/85/719670985.db2.gz WFQAMPKNYSSHGR-SFHVURJKSA-N 1 0 472.033 3.622 20 0 JHADRO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681098 719675575 /nfs/dbraw/zinc/67/55/75/719675575.db2.gz JMPBHYAVOVIAAX-DJYGDJEFSA-N 1 0 490.648 3.670 20 0 JHADRO CSc1cnc(Cl)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684552 719676453 /nfs/dbraw/zinc/67/64/53/719676453.db2.gz UQZJLIKIPHXUFQ-QGZVFWFLSA-N 1 0 474.074 3.945 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(N4CCCCC4)ncn3)CC2)c2ccccc21 ZINC001164684430 719677393 /nfs/dbraw/zinc/67/73/93/719677393.db2.gz UBVYCOSPRRUJSE-QFIPXVFZSA-N 1 0 476.669 3.560 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(-c4ccccn4)nn3)CC2)c2ccccc21 ZINC001164684520 719679386 /nfs/dbraw/zinc/67/93/86/719679386.db2.gz UMGCJUHCMMTIKL-OAQYLSRUSA-N 1 0 470.621 3.632 20 0 JHADRO C[C@H]1CCCN(c2cc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ncn2)C1 ZINC001164680038 719680126 /nfs/dbraw/zinc/68/01/26/719680126.db2.gz AYUAAYJDESYLAT-GOTSBHOMSA-N 1 0 490.696 3.806 20 0 JHADRO CC(C)OC(=O)c1cccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164687775 719682006 /nfs/dbraw/zinc/68/20/06/719682006.db2.gz VEXFZBXTFJSANA-OAQYLSRUSA-N 1 0 478.637 3.740 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)CC2)c2ccccc21 ZINC001164686537 719682966 /nfs/dbraw/zinc/68/29/66/719682966.db2.gz OJMVIPNXVWSLFV-SFHVURJKSA-N 1 0 492.998 3.612 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@@H]3C)nc1 ZINC001164681968 719692567 /nfs/dbraw/zinc/69/25/67/719692567.db2.gz AXLRICMETZCFRI-NFBKMPQASA-N 1 0 466.630 3.543 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccc(OC)cc3)nc3ccc(F)cc31)CC2 ZINC001164686337 719706248 /nfs/dbraw/zinc/70/62/48/719706248.db2.gz ZXCIWMMQFKTEDG-UHFFFAOYSA-N 1 0 463.557 3.625 20 0 JHADRO NC(=O)c1ccc(-c2cnc3n2CCC32CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)cc1 ZINC001164696954 719830528 /nfs/dbraw/zinc/83/05/28/719830528.db2.gz MSRZLGZSXGAYCS-UHFFFAOYSA-N 1 0 456.594 3.582 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164810931 720083686 /nfs/dbraw/zinc/08/36/86/720083686.db2.gz MITBJOIWPGVWNW-AMGIVPHBSA-N 1 0 482.072 3.873 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc(C(=O)OC)ccc31)CC2 ZINC001164719086 720113049 /nfs/dbraw/zinc/11/30/49/720113049.db2.gz VSFNGVKFULGLES-HSZRJFAPSA-N 1 0 460.578 3.924 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3cc(OC)c(OC)cc3n1)CC2 ZINC001164714312 720115353 /nfs/dbraw/zinc/11/53/53/720115353.db2.gz BVXGKSCJPIFACJ-HXUWFJFHSA-N 1 0 463.582 3.550 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C)nnc1Cl)CC2 ZINC001164713062 720143853 /nfs/dbraw/zinc/14/38/53/720143853.db2.gz PTWPMAIOVHKSLE-SFHVURJKSA-N 1 0 451.949 3.886 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c(OC)cc(OC)cc31)CC2 ZINC001164715303 720155915 /nfs/dbraw/zinc/15/59/15/720155915.db2.gz UMCFNWXWEASFRA-FQEVSTJZSA-N 1 0 463.582 3.550 20 0 JHADRO CCCSc1ncnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1OC ZINC001164714455 720156450 /nfs/dbraw/zinc/15/64/50/720156450.db2.gz PHOCYXKOIBQZPS-HXUWFJFHSA-N 1 0 457.644 3.890 20 0 JHADRO Cn1nnc2c1CCN(C(F)(F)c1cccc3ccnc(Cl)c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164718208 720186898 /nfs/dbraw/zinc/18/68/98/720186898.db2.gz NIAHBLOQCMMJBB-IBGZPJMESA-N 1 0 476.959 3.778 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(Cc3ccc(OC)cc3)c(C)n1)C2 ZINC001164817230 720194057 /nfs/dbraw/zinc/19/40/57/720194057.db2.gz PBEGCBUNGBUEDW-KCWPFWIISA-N 1 0 450.627 3.878 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164812595 720195572 /nfs/dbraw/zinc/19/55/72/720195572.db2.gz LGQCXCNHFLSQBB-UZLBHIALSA-N 1 0 458.937 3.557 20 0 JHADRO COc1cccc(-c2nc3ccccc3c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)n2)c1 ZINC001164717103 720200684 /nfs/dbraw/zinc/20/06/84/720200684.db2.gz SCHKOCZLBYPIAV-RUZDIDTESA-N 1 0 499.619 3.650 20 0 JHADRO Cn1nnc2c1CCN(c1ccc3c(Cl)ccc(Cl)c3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717766 720203696 /nfs/dbraw/zinc/20/36/96/720203696.db2.gz XAHYPAXNHZALSN-LJQANCHMSA-N 1 0 461.397 3.886 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CCC2 ZINC001164812014 720222600 /nfs/dbraw/zinc/22/26/00/720222600.db2.gz CJSUOTRFHKMTJR-UHFFFAOYSA-N 1 0 480.922 3.774 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)c3ccccc3n2)CC1 ZINC001164820091 720293928 /nfs/dbraw/zinc/29/39/28/720293928.db2.gz GSEOPQJFMGNTJZ-OALUTQOASA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)CC1 ZINC001164821597 720307237 /nfs/dbraw/zinc/30/72/37/720307237.db2.gz LBALXUYMOKKGSD-BJKOFHAPSA-N 1 0 495.071 3.557 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)CC1 ZINC001164823960 720316342 /nfs/dbraw/zinc/31/63/42/720316342.db2.gz CALLGJNUBAYXHG-RTBURBONSA-N 1 0 481.950 3.879 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2nc3ccccc3nc2Cl)CC1 ZINC001164830050 720326777 /nfs/dbraw/zinc/32/67/77/720326777.db2.gz OLMKVBBAZIHWCT-RTBURBONSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc([Si](C)(C)C)c(Cl)n2)CC1 ZINC001164830294 720329389 /nfs/dbraw/zinc/32/93/89/720329389.db2.gz PNEWVELHQUSMNO-ROUUACIJSA-N 1 0 485.095 3.737 20 0 JHADRO COC(=O)c1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2C)cc1 ZINC001164827775 720334479 /nfs/dbraw/zinc/33/44/79/720334479.db2.gz IOWOCZKKKDHMRQ-DQEYMECFSA-N 1 0 476.621 3.755 20 0 JHADRO CCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCC3 ZINC001164831703 720337349 /nfs/dbraw/zinc/33/73/49/720337349.db2.gz ZROXHIPPPYKDBZ-RTBURBONSA-N 1 0 453.656 3.654 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccccn3)nc3sccc32)CC1 ZINC001164827922 720349013 /nfs/dbraw/zinc/34/90/13/720349013.db2.gz NDYRVYOIKYSVHV-LEWJYISDSA-N 1 0 462.623 3.665 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2cccc(F)c2)CC1 ZINC001164821533 720353530 /nfs/dbraw/zinc/35/35/30/720353530.db2.gz AOKYXLLZZGFQHY-WOJBJXKFSA-N 1 0 473.980 3.973 20 0 JHADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164731792 720508569 /nfs/dbraw/zinc/50/85/69/720508569.db2.gz QRMICBGUWCWUFV-FQEVSTJZSA-N 1 0 458.566 3.612 20 0 JHADRO 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C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)CC2 ZINC001164753285 720967510 /nfs/dbraw/zinc/96/75/10/720967510.db2.gz BLOKYWWEIFDGRT-UHFFFAOYSA-N 1 0 491.926 3.669 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCc4ccccn4)[C@H]3C2)nc1 ZINC001164762646 721022907 /nfs/dbraw/zinc/02/29/07/721022907.db2.gz WEXPCNLIRWOKRG-LIONHTAISA-N 1 0 463.626 3.571 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C[C@@H]3C2)cn1 ZINC001164761726 721125963 /nfs/dbraw/zinc/12/59/63/721125963.db2.gz AVBZTLCJTGJZLB-CABCVRRESA-N 1 0 450.896 3.659 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871095 721137063 /nfs/dbraw/zinc/13/70/63/721137063.db2.gz DPJWBTTZNUZLBA-RBUKOAKNSA-N 1 0 472.927 3.612 20 0 JHADRO c1csc(-c2noc(-c3ccnc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c3)n2)c1 ZINC001164881200 721168101 /nfs/dbraw/zinc/16/81/01/721168101.db2.gz ZUPQVORAJKDBGA-UXHICEINSA-N 1 0 460.563 3.735 20 0 JHADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164768737 721201241 /nfs/dbraw/zinc/20/12/41/721201241.db2.gz LQFPCHHNGXQUBH-SFTDATJTSA-N 1 0 467.687 3.842 20 0 JHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164871688 721222840 /nfs/dbraw/zinc/22/28/40/721222840.db2.gz KNZYZKIEWUEIIZ-UHFFFAOYSA-N 1 0 475.971 3.927 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5cnccn5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164768463 721223632 /nfs/dbraw/zinc/22/36/32/721223632.db2.gz LBAZBXVWUBWKLL-RTBURBONSA-N 1 0 486.649 3.719 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@H]3C2)cn1 ZINC001164769776 721236903 /nfs/dbraw/zinc/23/69/03/721236903.db2.gz ZPQXHSBHFYBBOY-DHIUTWEWSA-N 1 0 454.578 3.901 20 0 JHADRO COc1cccc(Oc2nc(Cl)ncc2N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164764499 721242344 /nfs/dbraw/zinc/24/23/44/721242344.db2.gz OQFJZAYJQCQELY-QZTJIDSGSA-N 1 0 454.962 3.623 20 0 JHADRO O=C(NC[C@@H]1CCC[C@]2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)O1)c1ccccc1 ZINC001164876110 721257897 /nfs/dbraw/zinc/25/78/97/721257897.db2.gz NVACRIWXYADJET-WNCULLNHSA-N 1 0 464.610 3.504 20 0 JHADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(-c4ccccc4F)nc4ccc(F)cc43)CC2)C1 ZINC001164869324 721267911 /nfs/dbraw/zinc/26/79/11/721267911.db2.gz KFIUIXXRCMCRNX-UHFFFAOYSA-N 1 0 495.574 3.582 20 0 JHADRO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001164768031 721282472 /nfs/dbraw/zinc/28/24/72/721282472.db2.gz JDNUAPXYWWYJNY-UHFFFAOYSA-N 1 0 472.014 3.552 20 0 JHADRO CCOC(=O)c1nc2ccccc2c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776351 721335239 /nfs/dbraw/zinc/33/52/39/721335239.db2.gz DWCVWALUJOKSDD-AREMUKBSSA-N 1 0 479.581 3.530 20 0 JHADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164776262 721343808 /nfs/dbraw/zinc/34/38/08/721343808.db2.gz ANEGWPZGVODWJG-XMMPIXPASA-N 1 0 477.005 3.944 20 0 JHADRO CCOC(=O)c1c(C)cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1C ZINC001164782240 721354059 /nfs/dbraw/zinc/35/40/59/721354059.db2.gz LKMMPVHOEXROEB-VWLOTQADSA-N 1 0 456.587 3.599 20 0 JHADRO COC(=O)c1cccc2nc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ccc21 ZINC001164780699 721371130 /nfs/dbraw/zinc/37/11/30/721371130.db2.gz GOMWBHRUZGRYBU-AREMUKBSSA-N 1 0 464.566 3.745 20 0 JHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccncc4)nc(C)c3C)C2)C1 ZINC001164787071 721371297 /nfs/dbraw/zinc/37/12/97/721371297.db2.gz YKGGAUVFRKMPLN-AREMUKBSSA-N 1 0 462.598 3.879 20 0 JHADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCO[C@]3(CCC[C@@H]3COCc3ccncc3)C2)c1 ZINC001164782598 721385449 /nfs/dbraw/zinc/38/54/49/721385449.db2.gz MLMUCTDSOYEYHL-ZEQKJWHPSA-N 1 0 452.599 3.544 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164894126 721391678 /nfs/dbraw/zinc/39/16/78/721391678.db2.gz XUVAUOGZOIPQOP-AVRDEDQJSA-N 1 0 465.976 3.594 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C3)O2)CC1 ZINC001164889242 721394281 /nfs/dbraw/zinc/39/42/81/721394281.db2.gz LFOFMJMWBWHIEU-AOMKIAJQSA-N 1 0 483.966 3.733 20 0 JHADRO Cc1cccc(Sc2cncc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)n2)c1 ZINC001164895807 721427468 /nfs/dbraw/zinc/42/74/68/721427468.db2.gz PSWAJCMHWPJPFH-SQJMNOBHSA-N 1 0 453.656 3.702 20 0 JHADRO CSc1ccc(Oc2cc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ncn2)cc1 ZINC001164890720 721427614 /nfs/dbraw/zinc/42/76/14/721427614.db2.gz DOZLWBZKGPRFRC-BWKNWUBXSA-N 1 0 469.655 3.756 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C3)O2)CC1 ZINC001164895391 721429880 /nfs/dbraw/zinc/42/98/80/721429880.db2.gz OHCZLRAASCWGBW-UUOWRZLLSA-N 1 0 455.006 3.530 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C3)O2)CC1 ZINC001164889614 721435786 /nfs/dbraw/zinc/43/57/86/721435786.db2.gz CHKGAMARDDOMTR-BVAGGSTKSA-N 1 0 484.044 3.753 20 0 JHADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891436 721437809 /nfs/dbraw/zinc/43/78/09/721437809.db2.gz GODSHJJBTHBOOZ-PXDATVDWSA-N 1 0 456.034 3.871 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(SCc5ccccc5)n4)C3)O2)CC1 ZINC001164890213 721444729 /nfs/dbraw/zinc/44/47/29/721444729.db2.gz CJWSUISSAJHFEU-RCZVLFRGSA-N 1 0 453.656 3.534 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccccn5)nc5sccc54)C3)O2)CC1 ZINC001164889625 721444786 /nfs/dbraw/zinc/44/47/86/721444786.db2.gz CJASXYHSXUOMJU-UQBPGWFLSA-N 1 0 464.639 3.519 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4F)C3)O2)CC1 ZINC001164884435 721448596 /nfs/dbraw/zinc/44/85/96/721448596.db2.gz BFKNEEUTQXMPNZ-HOYKHHGWSA-N 1 0 475.996 3.827 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4)C3)O2)CC1 ZINC001164892784 721450586 /nfs/dbraw/zinc/45/05/86/721450586.db2.gz YELPCTQBWCVHQX-YKSBVNFPSA-N 1 0 458.006 3.688 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)C3)O2)CC1 ZINC001164890315 721451704 /nfs/dbraw/zinc/45/17/04/721451704.db2.gz QSFTYQZOPXVWDA-PZJWPPBQSA-N 1 0 454.993 3.620 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164790314 721452095 /nfs/dbraw/zinc/45/20/95/721452095.db2.gz YCQNWPMAGJOLJP-XMMPIXPASA-N 1 0 484.685 3.878 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccccn3)n1)CC2 ZINC001164791155 721467011 /nfs/dbraw/zinc/46/70/11/721467011.db2.gz UVMASKNQGOTQKC-QFIPXVFZSA-N 1 0 451.615 3.581 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(=O)OC)cc3ccccc31)CC2 ZINC001164790602 721467884 /nfs/dbraw/zinc/46/78/84/721467884.db2.gz RZOCCQGFSVVFFM-JOCHJYFZSA-N 1 0 467.610 3.755 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(C)nnc1Cl)CC2 ZINC001164791827 721468184 /nfs/dbraw/zinc/46/81/84/721468184.db2.gz ZSRUILQHWJQJKU-SFHVURJKSA-N 1 0 458.981 3.717 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccc(OC)cc3nc1C)CC2 ZINC001164786689 721468828 /nfs/dbraw/zinc/46/88/28/721468828.db2.gz BYROVUSLZBEKQC-OAQYLSRUSA-N 1 0 454.615 3.681 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164790647 721473925 /nfs/dbraw/zinc/47/39/25/721473925.db2.gz TVTRMRWRPHFDNJ-OAQYLSRUSA-N 1 0 453.631 3.959 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](CC(=O)N4CCC(F)CC4)[C@H]3C2)nc1 ZINC001164895028 721479261 /nfs/dbraw/zinc/47/92/61/721479261.db2.gz QJNGLAONOLLAOW-XWVZOOPGSA-N 1 0 458.622 3.678 20 0 JHADRO Fc1cccnc1OC[C@@]12COC[C@H]1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164792165 721486007 /nfs/dbraw/zinc/48/60/07/721486007.db2.gz HPRGHVTVTMPPDB-AJTFRIOCSA-N 1 0 460.553 3.706 20 0 JHADRO O=C1NC2(C[C@@H]1c1ccncc1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164897487 721503741 /nfs/dbraw/zinc/50/37/41/721503741.db2.gz MBVWDJYTSABUKR-XMMPIXPASA-N 1 0 453.590 3.678 20 0 JHADRO O=C1NC2(C[C@H]1c1ccncc1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164897483 721503819 /nfs/dbraw/zinc/50/38/19/721503819.db2.gz MBVWDJYTSABUKR-DEOSSOPVSA-N 1 0 453.590 3.678 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4sc(-c5ccccc5)cc42)CC3)CC1 ZINC001164796832 721516627 /nfs/dbraw/zinc/51/66/27/721516627.db2.gz CZUOUHROKVNACF-UHFFFAOYSA-N 1 0 480.041 3.976 20 0 JHADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903011 721534558 /nfs/dbraw/zinc/53/45/58/721534558.db2.gz BUPHUAOHLFCKLC-SJLPKXTDSA-N 1 0 456.905 3.551 20 0 JHADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164911088 721539942 /nfs/dbraw/zinc/53/99/42/721539942.db2.gz VLWXIURKKNJKOS-RDJZCZTQSA-N 1 0 455.864 3.548 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164903898 721550347 /nfs/dbraw/zinc/55/03/47/721550347.db2.gz DIIOAISLPVEDTC-NVXWUHKLSA-N 1 0 469.891 3.938 20 0 JHADRO COc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c(OC)c1 ZINC001164911086 721559383 /nfs/dbraw/zinc/55/93/83/721559383.db2.gz YHRIVFIIUJRBMO-NQIIRXRSSA-N 1 0 450.514 3.642 20 0 JHADRO COc1cccc(CN2C[C@@H]3CC[N@@H+](C(C)(C)c4ccnc(Cl)c4)CC[C@H]3S2(=O)=O)c1 ZINC001164802582 721592825 /nfs/dbraw/zinc/59/28/25/721592825.db2.gz GVZJWAALXPWQEP-GHTZIAJQSA-N 1 0 464.031 3.905 20 0 JHADRO CCOC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1OCC ZINC001164907089 721702157 /nfs/dbraw/zinc/70/21/57/721702157.db2.gz RKLRHJVBLAWUGQ-HSZRJFAPSA-N 1 0 460.525 3.790 20 0 JHADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907658 721717685 /nfs/dbraw/zinc/71/76/85/721717685.db2.gz SHTXQITYMALAID-ZFTMLNQLSA-N 1 0 467.520 3.882 20 0 JHADRO FC(F)(COc1cncc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164909663 721726918 /nfs/dbraw/zinc/72/69/18/721726918.db2.gz CQTGMYOFPVQQRA-GOSISDBHSA-N 1 0 459.875 3.730 20 0 JHADRO COc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(Cl)n1 ZINC001164913496 721737051 /nfs/dbraw/zinc/73/70/51/721737051.db2.gz WJZBMBYZNSBSQE-GOSISDBHSA-N 1 0 459.875 3.816 20 0 JHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165009601 721745239 /nfs/dbraw/zinc/74/52/39/721745239.db2.gz GQBPBBPUDDDGPG-HXUWFJFHSA-N 1 0 450.631 3.532 20 0 JHADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026280 721801127 /nfs/dbraw/zinc/80/11/27/721801127.db2.gz QGNZCBGZGRTGEC-SNRMKQJTSA-N 1 0 479.959 3.984 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C[C@@H]21 ZINC001165026811 721815993 /nfs/dbraw/zinc/81/59/93/721815993.db2.gz RKIWPNOYJHJBNR-YTQUADARSA-N 1 0 477.440 3.752 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(CO)ccc3NC(=O)C(C)(C)C)C[C@@H]21 ZINC001165020690 721819331 /nfs/dbraw/zinc/81/93/31/721819331.db2.gz CNSZYAQSPXNFDF-AVCGJXAMSA-N 1 0 451.615 3.690 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)nc1 ZINC001164928141 721833821 /nfs/dbraw/zinc/83/38/21/721833821.db2.gz WQAQHJDIONWSRV-RSXGOPAZSA-N 1 0 485.698 3.891 20 0 JHADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@H]5COC[C@]5(COCc5ccccn5)C4)ccc3C2)cc1 ZINC001164922719 721838286 /nfs/dbraw/zinc/83/82/86/721838286.db2.gz IBZGSLYXJJGFEL-CUBQBAPOSA-N 1 0 456.590 3.705 20 0 JHADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@@H]5COC[C@@]5(COCc5ccccn5)C4)ccc3C2)cc1 ZINC001164922721 721838295 /nfs/dbraw/zinc/83/82/95/721838295.db2.gz IBZGSLYXJJGFEL-UFHPHHKVSA-N 1 0 456.590 3.705 20 0 JHADRO COC(=O)c1c[nH]c2nc(Cl)nc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c12 ZINC001165022780 721843520 /nfs/dbraw/zinc/84/35/20/721843520.db2.gz UJYRDCWVIIANMJ-UHFFFAOYSA-N 1 0 473.961 3.516 20 0 JHADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1 ZINC001165023250 721843835 /nfs/dbraw/zinc/84/38/35/721843835.db2.gz ZFIQRNBZAYVNKY-IBGZPJMESA-N 1 0 490.670 3.667 20 0 JHADRO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)no1 ZINC001164940681 721930572 /nfs/dbraw/zinc/93/05/72/721930572.db2.gz WTYFOPDIMXKVMC-UHFFFAOYSA-N 1 0 461.566 3.810 20 0 JHADRO COc1cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc(Cl)n1 ZINC001164942783 721933866 /nfs/dbraw/zinc/93/38/66/721933866.db2.gz MXNOAZOAABRUDU-UHFFFAOYSA-N 1 0 452.933 3.863 20 0 JHADRO COCCOc1cc2ncnc(N3CCCC[C@H]3CC[NH+]3CCCC3)c2cc1OCCOC ZINC001165049965 721967045 /nfs/dbraw/zinc/96/70/45/721967045.db2.gz WUFWLTBCMZMSEV-FQEVSTJZSA-N 1 0 458.603 3.525 20 0 JHADRO CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1CN1CC[C@@H](CO)C1 ZINC001165049149 721973726 /nfs/dbraw/zinc/97/37/26/721973726.db2.gz NUOCEBSNYCLZIP-FGZHOGPDSA-N 1 0 471.690 3.725 20 0 JHADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC([NH+](CC)CC)CC3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001165052886 722005027 /nfs/dbraw/zinc/00/50/27/722005027.db2.gz GKOVTDQPPGUQGZ-QZTJIDSGSA-N 1 0 450.578 3.536 20 0 JHADRO Clc1nnc(Cl)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1N1CCOCC1 ZINC001164964184 722024857 /nfs/dbraw/zinc/02/48/57/722024857.db2.gz VSROPFUOEQEKOY-UHFFFAOYSA-N 1 0 463.413 3.508 20 0 JHADRO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@H]21 ZINC001164959430 722039507 /nfs/dbraw/zinc/03/95/07/722039507.db2.gz IDTJYUPHSOIWCZ-NGRWLJPCSA-N 1 0 495.023 3.604 20 0 JHADRO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961725 722057681 /nfs/dbraw/zinc/05/76/81/722057681.db2.gz ORDDYVAVAIANJR-UHFFFAOYSA-N 1 0 460.578 3.926 20 0 JHADRO CC(C)n1cnc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960022 722058274 /nfs/dbraw/zinc/05/82/74/722058274.db2.gz CZXZEFHNSVOLSQ-UHFFFAOYSA-N 1 0 455.994 3.575 20 0 JHADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982767 722105377 /nfs/dbraw/zinc/10/53/77/722105377.db2.gz OVOVISCJTPIRQO-UTKZUKDTSA-N 1 0 459.928 3.950 20 0 JHADRO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164986449 722106149 /nfs/dbraw/zinc/10/61/49/722106149.db2.gz ZBAIBAZEHWVAKY-LADGPHEKSA-N 1 0 492.023 3.787 20 0 JHADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976409 722106281 /nfs/dbraw/zinc/10/62/81/722106281.db2.gz CUWHXCJXECEILL-UTKZUKDTSA-N 1 0 459.928 3.950 20 0 JHADRO O=C(c1ccco1)N1CCC[C@@]2(C1)CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CCO2 ZINC001165001368 722249020 /nfs/dbraw/zinc/24/90/20/722249020.db2.gz PBMFSXKDJBKGDJ-NDEPHWFRSA-N 1 0 472.589 3.745 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(c1nnc(Cc3ccccc3)c3ccccc31)CCC2 ZINC001165004453 722255794 /nfs/dbraw/zinc/25/57/94/722255794.db2.gz SBZZJHPZQWXAJB-UHFFFAOYSA-N 1 0 456.594 3.906 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(OC)CCCC2)CC[N@@H+]1CCOC ZINC001306622784 1069313031 /nfs/dbraw/zinc/31/30/31/1069313031.db2.gz NQAJGDGYBJFWCL-FQEVSTJZSA-N 1 0 477.053 3.890 20 0 JHADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)Nc3cc(C(F)(F)F)n(C)n3)cc2)C[C@H]1C ZINC001311276938 1069313736 /nfs/dbraw/zinc/31/37/36/1069313736.db2.gz MHWIRRIRJYLHGC-IYBDPMFKSA-N 1 0 453.509 3.770 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306623382 1069314806 /nfs/dbraw/zinc/31/48/06/1069314806.db2.gz RSRALUTVROPTLA-NBGIEHNGSA-N 1 0 491.080 3.872 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CC[N@H+](CC)C2)CCO1 ZINC001306623973 1069316832 /nfs/dbraw/zinc/31/68/32/1069316832.db2.gz WBZXCJKVZQVLAL-TZIWHRDSSA-N 1 0 457.619 3.700 20 0 JHADRO COCC(=O)N1CCCc2ccc(NC(=O)N[C@@H](C[N@H+](C)Cc3ccccc3)C(C)C)cc21 ZINC001311291921 1069318120 /nfs/dbraw/zinc/31/81/20/1069318120.db2.gz ODKJBXOANJRLLZ-QHCPKHFHSA-N 1 0 452.599 3.890 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C3CCCC3)n2Cc2nccn2C(F)F)CC[N@@H+]1CCOC ZINC001306625830 1069319995 /nfs/dbraw/zinc/31/99/95/1069319995.db2.gz UJHBFMXATDJANI-GOSISDBHSA-N 1 0 451.566 3.513 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCCO2)CC[N@@H+]1CCOC ZINC001306627851 1069324992 /nfs/dbraw/zinc/32/49/92/1069324992.db2.gz VOGPXZCDBRYRMH-DNQXCXABSA-N 1 0 455.647 3.684 20 0 JHADRO COc1ccc([C@H](CNC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)[NH+]2CCCC2)cc1 ZINC001311343272 1069330429 /nfs/dbraw/zinc/33/04/29/1069330429.db2.gz CREMUIAJECQQEE-IRLDBZIGSA-N 1 0 456.974 3.590 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2sc(C)nc2C)CC[N@@H+]1CCOC ZINC001306631084 1069331036 /nfs/dbraw/zinc/33/10/36/1069331036.db2.gz YCELKBKCYHZNQO-FQEVSTJZSA-N 1 0 489.715 3.693 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N2CCCN(c3ccccc3OC)CC2)[NH+]2CCCC2)cc1 ZINC001311342770 1069330821 /nfs/dbraw/zinc/33/08/21/1069330821.db2.gz BBRKWXVRSGCBCA-XMMPIXPASA-N 1 0 452.599 3.763 20 0 JHADRO COc1ccc([C@H](CNC(=O)N[C@H](CO)c2ccccc2C(F)(F)F)[NH+]2CCCC2)cc1 ZINC001311346524 1069332774 /nfs/dbraw/zinc/33/27/74/1069332774.db2.gz QCHYRVQQXASQOB-RTWAWAEBSA-N 1 0 451.489 3.884 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CCO1 ZINC001306632352 1069333723 /nfs/dbraw/zinc/33/37/23/1069333723.db2.gz LAMYXGOQCFTFOW-HXUWFJFHSA-N 1 0 466.051 3.565 20 0 JHADRO COc1ccc([C@H](CNC(=O)N2CCN(c3ccc(F)c(OC)c3)CC2)[NH+]2CCCC2)cc1 ZINC001311347985 1069334346 /nfs/dbraw/zinc/33/43/46/1069334346.db2.gz WRULDPPYOWVGNU-QHCPKHFHSA-N 1 0 456.562 3.512 20 0 JHADRO COc1ccc([C@@H](CNC(=O)NCCc2csc(-c3ccccc3)n2)[NH+](C)C)cc1OC ZINC001311348138 1069335374 /nfs/dbraw/zinc/33/53/74/1069335374.db2.gz HJARGTDIHOYONB-HXUWFJFHSA-N 1 0 454.596 3.972 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)CCO1 ZINC001306633490 1069336903 /nfs/dbraw/zinc/33/69/03/1069336903.db2.gz BZEODWKAMZGIHY-MXEMCNAFSA-N 1 0 476.666 3.538 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2cc(Cl)ccc2OC)CC[N@@H+]1CCOC ZINC001306635761 1069343493 /nfs/dbraw/zinc/34/34/93/1069343493.db2.gz SDXFWKDLXYDSHQ-RBBKRZOGSA-N 1 0 478.037 3.777 20 0 JHADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(NC(=O)CCCOc4ccccc4)cc3)CC[C@H]21 ZINC001311364023 1069346686 /nfs/dbraw/zinc/34/66/86/1069346686.db2.gz XEGSDZZHZTVBSI-ZJSXRUAMSA-N 1 0 450.583 3.720 20 0 JHADRO CCCCCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[NH+](C)C)C(C)C ZINC001306638669 1069348536 /nfs/dbraw/zinc/34/85/36/1069348536.db2.gz KCHYUZNGEBQXLI-UXHICEINSA-N 1 0 466.671 3.942 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCCC[C@H]3[C@H](O)c3ccccc3)CC2)c1 ZINC001311380324 1069353843 /nfs/dbraw/zinc/35/38/43/1069353843.db2.gz KPZPNSDGXWDMOZ-IZZNHLLZSA-N 1 0 450.627 3.805 20 0 JHADRO CC[C@H](CNC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCc2ccccc2C1 ZINC001311395404 1069360335 /nfs/dbraw/zinc/36/03/35/1069360335.db2.gz JSNITESPOASRPO-VRUMLPLGSA-N 1 0 456.631 3.912 20 0 JHADRO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001311400541 1069362307 /nfs/dbraw/zinc/36/23/07/1069362307.db2.gz RXTWXTVWCITBKW-NMMYMHLASA-N 1 0 453.631 3.752 20 0 JHADRO CCCCCn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001306654242 1069365700 /nfs/dbraw/zinc/36/57/00/1069365700.db2.gz HMXPESLSWJXCPI-WIOPSUGQSA-N 1 0 466.674 3.632 20 0 JHADRO C[C@H](CNC(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)[N@@H+]1CCCC[C@H]1C ZINC001311402873 1069362811 /nfs/dbraw/zinc/36/28/11/1069362811.db2.gz UHHOYRHTYNAIRU-QBPKDAKJSA-N 1 0 450.546 3.594 20 0 JHADRO CC1(C)C[C@H](NC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c2ccc(F)cc2O1 ZINC001311421927 1069369004 /nfs/dbraw/zinc/36/90/04/1069369004.db2.gz GFXRMXBQOIVFTE-QHCPKHFHSA-N 1 0 454.590 3.935 20 0 JHADRO C[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001311422644 1069369891 /nfs/dbraw/zinc/36/98/91/1069369891.db2.gz CJGFRTMHGBZFBD-ZHRRBRCNSA-N 1 0 458.990 3.661 20 0 JHADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001311429891 1069375917 /nfs/dbraw/zinc/37/59/17/1069375917.db2.gz DYPHQJPANDDCIR-RDPSFJRHSA-N 1 0 457.640 3.991 20 0 JHADRO CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC001311430226 1069376465 /nfs/dbraw/zinc/37/64/65/1069376465.db2.gz JCKOLAUSFCMQOX-QHCPKHFHSA-N 1 0 451.055 3.694 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306660001 1069378268 /nfs/dbraw/zinc/37/82/68/1069378268.db2.gz FWBCGHYCXDRKII-NRFANRHFSA-N 1 0 481.689 3.903 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001306660236 1069378763 /nfs/dbraw/zinc/37/87/63/1069378763.db2.gz WFFYKUXCOWWKTL-FCHUYYIVSA-N 1 0 460.667 3.527 20 0 JHADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)C1 ZINC001311440124 1069380551 /nfs/dbraw/zinc/38/05/51/1069380551.db2.gz ASZDQWIQSGJYSC-FQEVSTJZSA-N 1 0 452.437 3.869 20 0 JHADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001311450003 1069384089 /nfs/dbraw/zinc/38/40/89/1069384089.db2.gz UVQZZEQUFOGBLD-ZWKOTPCHSA-N 1 0 454.384 3.606 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306664899 1069390329 /nfs/dbraw/zinc/39/03/29/1069390329.db2.gz WKGWJHFLFAZABB-OAQYLSRUSA-N 1 0 496.704 3.721 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001306664550 1069389402 /nfs/dbraw/zinc/38/94/02/1069389402.db2.gz IRUYJIQSNUQODY-DHIUTWEWSA-N 1 0 474.694 3.869 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCC2)CC1 ZINC001306664933 1069390807 /nfs/dbraw/zinc/39/08/07/1069390807.db2.gz XKOLPMHSEUGZJY-UHFFFAOYSA-N 1 0 452.647 3.906 20 0 JHADRO CCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001306674886 1069399453 /nfs/dbraw/zinc/39/94/53/1069399453.db2.gz LHLMYVQDYJHHJV-IBGZPJMESA-N 1 0 464.655 3.697 20 0 JHADRO CCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)Cc1ccccc1 ZINC001306675002 1069399416 /nfs/dbraw/zinc/39/94/16/1069399416.db2.gz NVGTXEOKXOALGV-QFIPXVFZSA-N 1 0 486.661 3.955 20 0 JHADRO CC(C)(C)OC(=O)NCC12CCC(CC1)N2C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001311480332 1069397837 /nfs/dbraw/zinc/39/78/37/1069397837.db2.gz KTUKSOSWBUELTI-UHFFFAOYSA-N 1 0 456.631 3.925 20 0 JHADRO C[C@@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311481796 1069398298 /nfs/dbraw/zinc/39/82/98/1069398298.db2.gz BEPJFFVVRVGLFV-HXUWFJFHSA-N 1 0 450.583 3.754 20 0 JHADRO C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccccc1NS(C)(=O)=O ZINC001311493017 1069403638 /nfs/dbraw/zinc/40/36/38/1069403638.db2.gz IDRMWICWLBOKRP-RBUKOAKNSA-N 1 0 458.628 3.993 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C(F)(F)C23CCC3)CC1 ZINC001306679282 1069404230 /nfs/dbraw/zinc/40/42/30/1069404230.db2.gz GTUGBRGOUODFNR-LJQANCHMSA-N 1 0 466.621 3.800 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 ZINC001306679283 1069404430 /nfs/dbraw/zinc/40/44/30/1069404430.db2.gz QAMCVPGJWNEAHJ-HSZRJFAPSA-N 1 0 482.673 3.986 20 0 JHADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)NCCc3ccc([Si](C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC001311494550 1069404858 /nfs/dbraw/zinc/40/48/58/1069404858.db2.gz FZIQBAHTHGCWMP-SFTDATJTSA-N 1 0 453.703 3.883 20 0 JHADRO C[C@H](NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC001311495353 1069404930 /nfs/dbraw/zinc/40/49/30/1069404930.db2.gz IZABQRPHBUPDLX-IBGZPJMESA-N 1 0 454.590 3.922 20 0 JHADRO CC(C)C[C@H](C)Oc1cc(CNC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)ccn1 ZINC001311497433 1069407101 /nfs/dbraw/zinc/40/71/01/1069407101.db2.gz QADQJIGYLRYSAP-NRFANRHFSA-N 1 0 453.631 3.642 20 0 JHADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001311498836 1069407772 /nfs/dbraw/zinc/40/77/72/1069407772.db2.gz XCPLNNNULLQFPD-GUXMJAIHSA-N 1 0 459.631 3.996 20 0 JHADRO COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001311498169 1069407824 /nfs/dbraw/zinc/40/78/24/1069407824.db2.gz SWJOTYKKIKNTIV-FFZOFVMBSA-N 1 0 455.521 3.944 20 0 JHADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@H]3c3ccccc3Br)ccn2)CC1 ZINC001311501449 1069410229 /nfs/dbraw/zinc/41/02/29/1069410229.db2.gz JFVKKGAIGZSTJY-FQEVSTJZSA-N 1 0 458.404 3.643 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCc2oncc2C1 ZINC001306682107 1069412472 /nfs/dbraw/zinc/41/24/72/1069412472.db2.gz CJFFCYGHCQWFIC-UHFFFAOYSA-N 1 0 459.392 3.990 20 0 JHADRO CCCC[N@H+](C)CCn1c(C)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001306680749 1069408500 /nfs/dbraw/zinc/40/85/00/1069408500.db2.gz DSLBUMDDGMJSMF-SFHVURJKSA-N 1 0 458.598 3.789 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001306680900 1069408910 /nfs/dbraw/zinc/40/89/10/1069408910.db2.gz QMYGMEDNOMFCIV-FQEVSTJZSA-N 1 0 494.105 3.982 20 0 JHADRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1 ZINC001311500516 1069409689 /nfs/dbraw/zinc/40/96/89/1069409689.db2.gz VIHFFSIUCBSDDX-UHFFFAOYSA-N 1 0 451.398 3.966 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 ZINC001306683553 1069417204 /nfs/dbraw/zinc/41/72/04/1069417204.db2.gz WONXRHHOAZIJKY-UHFFFAOYSA-N 1 0 468.675 3.808 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001306683547 1069417292 /nfs/dbraw/zinc/41/72/92/1069417292.db2.gz WKOLTIOFAZNAND-DENIHFKCSA-N 1 0 457.619 3.700 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)NCCc3ccc(OC(C)C)cc3)CC2)cc1 ZINC001311507705 1069414029 /nfs/dbraw/zinc/41/40/29/1069414029.db2.gz JTRAAFNVWRBKLF-UHFFFAOYSA-N 1 0 452.599 3.939 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001306684242 1069419373 /nfs/dbraw/zinc/41/93/73/1069419373.db2.gz JBPSGJIPJBQXEY-SFHVURJKSA-N 1 0 460.623 3.522 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001306684733 1069419501 /nfs/dbraw/zinc/41/95/01/1069419501.db2.gz QLZHHGOQUKIWSM-UHFFFAOYSA-N 1 0 460.529 3.652 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCc2cccc(Br)c2C1 ZINC001306685074 1069420101 /nfs/dbraw/zinc/42/01/01/1069420101.db2.gz ZCISYVHXKOEQFS-UHFFFAOYSA-N 1 0 472.435 3.736 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@H](C)CC1 ZINC001306684929 1069420174 /nfs/dbraw/zinc/42/01/74/1069420174.db2.gz UADXCERCHQWEQV-IBGZPJMESA-N 1 0 451.619 3.550 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 ZINC001306686019 1069421902 /nfs/dbraw/zinc/42/19/02/1069421902.db2.gz PFZVGCBSELCOAR-LJQANCHMSA-N 1 0 462.038 3.655 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001306686397 1069422449 /nfs/dbraw/zinc/42/24/49/1069422449.db2.gz TZPVHUYYJVGHAL-LJQANCHMSA-N 1 0 478.041 3.743 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001306689670 1069427365 /nfs/dbraw/zinc/42/73/65/1069427365.db2.gz XUUBOBJNVCOARY-UHFFFAOYSA-N 1 0 457.623 3.523 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001306687792 1069424717 /nfs/dbraw/zinc/42/47/17/1069424717.db2.gz KISDIFXKYXMCQW-UHFFFAOYSA-N 1 0 461.658 3.933 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cccc(F)c2[C@H]1C ZINC001306688229 1069425206 /nfs/dbraw/zinc/42/52/06/1069425206.db2.gz OZMUAGLUFQWZKQ-RFWXGWTQSA-N 1 0 459.610 3.997 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 ZINC001306689102 1069426699 /nfs/dbraw/zinc/42/66/99/1069426699.db2.gz XYLLCAZBZXTIJR-XPWALMASSA-N 1 0 487.693 3.723 20 0 JHADRO CCCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001306691902 1069428990 /nfs/dbraw/zinc/42/89/90/1069428990.db2.gz PFVXNQDSIYHQOP-PMACEKPBSA-N 1 0 475.707 3.985 20 0 JHADRO CCCCN(CC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001306692662 1069429742 /nfs/dbraw/zinc/42/97/42/1069429742.db2.gz PHXCVVCNUYGHMT-RTBURBONSA-N 1 0 467.618 3.720 20 0 JHADRO CCC(CC)[C@@H](CNC(=O)N[C@H](C)c1ccc(Br)cc1OC)[NH+]1CCOCC1 ZINC001311537171 1069429944 /nfs/dbraw/zinc/42/99/44/1069429944.db2.gz ZPEJEZTWKFEKIK-DNVCBOLYSA-N 1 0 456.425 3.955 20 0 JHADRO CCCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306694605 1069431339 /nfs/dbraw/zinc/43/13/39/1069431339.db2.gz JMDCHQNTFNOFDQ-ZCNNSNEGSA-N 1 0 453.697 3.563 20 0 JHADRO COC(=O)c1cc(CNC(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)ccc1OC ZINC001311541370 1069431412 /nfs/dbraw/zinc/43/14/12/1069431412.db2.gz MWTLTTZVSBNOLC-SFHVURJKSA-N 1 0 453.461 3.603 20 0 JHADRO COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001311559458 1069438036 /nfs/dbraw/zinc/43/80/36/1069438036.db2.gz FNQINDOSWLLQMN-HSZRJFAPSA-N 1 0 450.583 3.912 20 0 JHADRO CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001306703481 1069439221 /nfs/dbraw/zinc/43/92/21/1069439221.db2.gz RVKDREAHBMUEGL-INIZCTEOSA-N 1 0 466.399 3.805 20 0 JHADRO CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001306707626 1069442111 /nfs/dbraw/zinc/44/21/11/1069442111.db2.gz BPFYUTZFJCPEDU-HSZRJFAPSA-N 1 0 498.672 3.751 20 0 JHADRO CCCCn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001306705569 1069440779 /nfs/dbraw/zinc/44/07/79/1069440779.db2.gz DUMROJHWVGHSJE-UHFFFAOYSA-N 1 0 451.619 3.786 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001311566214 1069440805 /nfs/dbraw/zinc/44/08/05/1069440805.db2.gz KXXVUDLJBRVPBE-JKSUJKDBSA-N 1 0 450.546 3.596 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1 ZINC001311570407 1069442578 /nfs/dbraw/zinc/44/25/78/1069442578.db2.gz JDTXQBPPZRJIAI-GOTSBHOMSA-N 1 0 458.553 3.838 20 0 JHADRO COc1cccc([C@H](CNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[NH+](C)C)c1 ZINC001311573605 1069444368 /nfs/dbraw/zinc/44/43/68/1069444368.db2.gz WIQHEAGSZMEAOY-YADHBBJMSA-N 1 0 456.587 3.863 20 0 JHADRO COc1cccc([C@H](CNC(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)[NH+]2CCCC2)c1 ZINC001311581445 1069448942 /nfs/dbraw/zinc/44/89/42/1069448942.db2.gz QOVDJZZTIKDPRM-LDVJMBRRSA-N 1 0 455.603 3.525 20 0 JHADRO COc1cccc([C@@H](CNC(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)[NH+]2CCCC2)c1 ZINC001311582871 1069449395 /nfs/dbraw/zinc/44/93/95/1069449395.db2.gz ZJOQQRQHVNUEFZ-BJKOFHAPSA-N 1 0 453.583 3.808 20 0 JHADRO O=C(NC[C@@H](CO)Cc1ccc(F)c(F)c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001311588297 1069452432 /nfs/dbraw/zinc/45/24/32/1069452432.db2.gz KOCQFFQNVOUIKQ-SFHVURJKSA-N 1 0 451.945 3.733 20 0 JHADRO O=C(N[C@@H](CN1CCOCC1)c1ccccc1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001311592460 1069454293 /nfs/dbraw/zinc/45/42/93/1069454293.db2.gz FFNWASQBRJGBPG-FTJBHMTQSA-N 1 0 450.627 3.804 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 ZINC001311591559 1069454302 /nfs/dbraw/zinc/45/43/02/1069454302.db2.gz QNAZRISGUAWMON-XMMPIXPASA-N 1 0 455.624 3.744 20 0 JHADRO CC[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC001311609113 1069461432 /nfs/dbraw/zinc/46/14/32/1069461432.db2.gz ZJZQVUTXJCOFIR-QHCPKHFHSA-N 1 0 458.647 3.902 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001306721828 1069459112 /nfs/dbraw/zinc/45/91/12/1069459112.db2.gz FMKSLOJXAKFGAH-UXHICEINSA-N 1 0 495.093 3.662 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001306722508 1069460276 /nfs/dbraw/zinc/46/02/76/1069460276.db2.gz IIIDAHKOWDYENV-QHCPKHFHSA-N 1 0 478.645 3.717 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306722793 1069461660 /nfs/dbraw/zinc/46/16/60/1069461660.db2.gz LCPJFLGIBGWXTM-DHIUTWEWSA-N 1 0 482.673 3.913 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(CNC(C)=O)CC1 ZINC001306722720 1069460944 /nfs/dbraw/zinc/46/09/44/1069460944.db2.gz KIIHCCGSJZMONG-QHCPKHFHSA-N 1 0 482.673 3.961 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001306722509 1069461128 /nfs/dbraw/zinc/46/11/28/1069461128.db2.gz IIKQHDNPTIJZSQ-FCHUYYIVSA-N 1 0 458.651 3.568 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001306722944 1069462219 /nfs/dbraw/zinc/46/22/19/1069462219.db2.gz PAYKEBQHWMKSPZ-GOTSBHOMSA-N 1 0 486.636 3.788 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C)C1 ZINC001306723276 1069462336 /nfs/dbraw/zinc/46/23/36/1069462336.db2.gz QORPSJWAUQEADP-OALUTQOASA-N 1 0 457.648 3.522 20 0 JHADRO CC[C@@H](NC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1)c1ccccc1OCC(=O)NC ZINC001311611691 1069463476 /nfs/dbraw/zinc/46/34/76/1069463476.db2.gz LRKYGZSZCZNMTB-YDPRHXJPSA-N 1 0 458.647 3.805 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306725439 1069466464 /nfs/dbraw/zinc/46/64/64/1069466464.db2.gz DHVXMMZBARHAEY-FGZHOGPDSA-N 1 0 469.630 3.531 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F ZINC001306726487 1069469948 /nfs/dbraw/zinc/46/99/48/1069469948.db2.gz NELVPXUARWADAJ-PZJWPPBQSA-N 1 0 495.640 3.749 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001306726601 1069470572 /nfs/dbraw/zinc/47/05/72/1069470572.db2.gz ABFKHZPHPCNKDV-UPVQGACJSA-N 1 0 466.674 3.775 20 0 JHADRO COc1ccccc1[C@@H](CNC(=O)N(C)Cc1cn(C)nc1C(F)(F)F)[NH+]1CCCCC1 ZINC001311621499 1069472262 /nfs/dbraw/zinc/47/22/62/1069472262.db2.gz CACBJRNREHZWGD-GOSISDBHSA-N 1 0 453.509 3.816 20 0 JHADRO COc1ccccc1[C@H](CNC(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1)[NH+]1CCCCC1 ZINC001311622484 1069472872 /nfs/dbraw/zinc/47/28/72/1069472872.db2.gz LORHLFAYEIPYPZ-MVERNJQCSA-N 1 0 455.574 3.732 20 0 JHADRO CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC001311643518 1069486899 /nfs/dbraw/zinc/48/68/99/1069486899.db2.gz DATYLTYPGKSVCN-QFIPXVFZSA-N 1 0 454.537 3.661 20 0 JHADRO CCc1nsc(N2CCN(C(=O)NCc3ccccc3C[N@H+](C)C3CCCCC3)CC2)n1 ZINC001311645402 1069487250 /nfs/dbraw/zinc/48/72/50/1069487250.db2.gz SWDAZBCMDJDJPI-UHFFFAOYSA-N 1 0 456.660 3.897 20 0 JHADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC001311647010 1069487843 /nfs/dbraw/zinc/48/78/43/1069487843.db2.gz ZRXBCCFSPMXTOG-JYFHCDHNSA-N 1 0 456.590 3.856 20 0 JHADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001311648062 1069488188 /nfs/dbraw/zinc/48/81/88/1069488188.db2.gz ZISIDTXKWGLERT-DHIUTWEWSA-N 1 0 474.646 3.885 20 0 JHADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)N[C@@H](C)COc3ccc(F)cc3)CC2)c1C ZINC001311650417 1069488703 /nfs/dbraw/zinc/48/87/03/1069488703.db2.gz BHUIVYALTJNPCX-SFHVURJKSA-N 1 0 458.578 3.919 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC)CC1 ZINC001306732365 1069489242 /nfs/dbraw/zinc/48/92/42/1069489242.db2.gz VMHNINKKBRFVTO-JOCHJYFZSA-N 1 0 484.645 3.709 20 0 JHADRO COC(=O)c1ccc(CCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001311651439 1069489292 /nfs/dbraw/zinc/48/92/92/1069489292.db2.gz DAGWJLCHESIQQC-HSZRJFAPSA-N 1 0 453.583 3.797 20 0 JHADRO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccnc(N3CCSCC3)c2)c2ccccc2)CC1 ZINC001311657857 1069491212 /nfs/dbraw/zinc/49/12/12/1069491212.db2.gz CTHHCWCAZNJMPY-QHCPKHFHSA-N 1 0 453.656 3.907 20 0 JHADRO C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)([NH+](C)C)C1 ZINC001311657409 1069491300 /nfs/dbraw/zinc/49/13/00/1069491300.db2.gz SBATYAFJWFKBBY-LDBYXDLTSA-N 1 0 458.416 3.549 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001306733473 1069493272 /nfs/dbraw/zinc/49/32/72/1069493272.db2.gz YUYWMAVZMGAPNY-XMMPIXPASA-N 1 0 482.673 3.797 20 0 JHADRO CC[C@H]1CN(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001311667309 1069495701 /nfs/dbraw/zinc/49/57/01/1069495701.db2.gz SAGRVACQBIMPLP-GJZUVCINSA-N 1 0 450.627 3.713 20 0 JHADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC001311690088 1069504744 /nfs/dbraw/zinc/50/47/44/1069504744.db2.gz QSRPOTLALQBMSS-GUXCAODWSA-N 1 0 450.546 3.738 20 0 JHADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC001311690077 1069504863 /nfs/dbraw/zinc/50/48/63/1069504863.db2.gz QSRPOTLALQBMSS-GQIGUUNPSA-N 1 0 450.546 3.738 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccn3C)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001306738094 1069508200 /nfs/dbraw/zinc/50/82/00/1069508200.db2.gz YYBYEYXQBMSMAL-DHIUTWEWSA-N 1 0 483.705 3.927 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CC=CCC2)C1 ZINC001306738426 1069509500 /nfs/dbraw/zinc/50/95/00/1069509500.db2.gz ZTCRCNRVQNBYSO-VXKWHMMOSA-N 1 0 480.657 3.737 20 0 JHADRO CC(C)Oc1ccc([C@H](C)NC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC001311702974 1069510568 /nfs/dbraw/zinc/51/05/68/1069510568.db2.gz APWKLFOMHWGPFN-IBGZPJMESA-N 1 0 452.599 3.732 20 0 JHADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCCCc2cccc(C(F)(F)F)c2)CC1 ZINC001311708711 1069512720 /nfs/dbraw/zinc/51/27/20/1069512720.db2.gz PXSVNBYRKXJOLL-UHFFFAOYSA-N 1 0 456.553 3.564 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306740798 1069514707 /nfs/dbraw/zinc/51/47/07/1069514707.db2.gz VNAYIGNERBLVMJ-FDFHNCONSA-N 1 0 469.678 3.537 20 0 JHADRO CCN(C(=O)N[C@H](CCSC)c1nnc2ccccn21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311716055 1069516611 /nfs/dbraw/zinc/51/66/11/1069516611.db2.gz WKJWZDCVRZZWIT-LEWJYISDSA-N 1 0 452.628 3.830 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306745170 1069527376 /nfs/dbraw/zinc/52/73/76/1069527376.db2.gz NJBJHQLWFLCULX-NRFANRHFSA-N 1 0 482.673 3.818 20 0 JHADRO COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cc1 ZINC001311738367 1069528321 /nfs/dbraw/zinc/52/83/21/1069528321.db2.gz MRNTXJNTZSOBME-XMMPIXPASA-N 1 0 455.574 3.872 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001306745550 1069528636 /nfs/dbraw/zinc/52/86/36/1069528636.db2.gz RAVPRIIIOJZHLV-QFIPXVFZSA-N 1 0 469.678 3.537 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001306746116 1069530336 /nfs/dbraw/zinc/53/03/36/1069530336.db2.gz XWXSGORZKBVIGR-QFIPXVFZSA-N 1 0 469.678 3.681 20 0 JHADRO C[C@@]1(NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001311753508 1069533473 /nfs/dbraw/zinc/53/34/73/1069533473.db2.gz GDCKZGNAXOOSLR-AOHZBQACSA-N 1 0 460.544 3.981 20 0 JHADRO CCOc1ccc(C(=O)N2CCC(NC(=O)NCC3CC[NH+](CCC(C)C)CC3)CC2)cc1 ZINC001311764563 1069538170 /nfs/dbraw/zinc/53/81/70/1069538170.db2.gz HBQREMNOBKJYDH-UHFFFAOYSA-N 1 0 458.647 3.747 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001311760442 1069535929 /nfs/dbraw/zinc/53/59/29/1069535929.db2.gz COFSTDVUBQVWGK-PXDATVDWSA-N 1 0 454.590 3.505 20 0 JHADRO Cc1ccc(CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)c(O[C@H](C)CC(C)C)c1 ZINC001311762033 1069536927 /nfs/dbraw/zinc/53/69/27/1069536927.db2.gz XDWXCSGGGQOMOA-OAQYLSRUSA-N 1 0 453.631 3.955 20 0 JHADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC001311767059 1069539240 /nfs/dbraw/zinc/53/92/40/1069539240.db2.gz XSGIOWBERCKNMY-HXUWFJFHSA-N 1 0 454.537 3.663 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2CC2(O)CC2)cc1OC ZINC001306748756 1069539305 /nfs/dbraw/zinc/53/93/05/1069539305.db2.gz LYCJGBFBGMTINJ-RBUKOAKNSA-N 1 0 457.619 3.576 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001311804964 1069552729 /nfs/dbraw/zinc/55/27/29/1069552729.db2.gz MRHBHSZHKUHODH-ICSRJNTNSA-N 1 0 454.537 3.537 20 0 JHADRO CC[C@H](NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001311809562 1069554222 /nfs/dbraw/zinc/55/42/22/1069554222.db2.gz LKVOVEVWXWHREB-LSQMVHIFSA-N 1 0 454.615 3.704 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NC[C@H](OC)c2cccc(OC)c2)CC1 ZINC001311821250 1069561113 /nfs/dbraw/zinc/56/11/13/1069561113.db2.gz BSACZESGKFRMJU-KOSHJBKYSA-N 1 0 458.578 3.724 20 0 JHADRO C[C@@H](NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311821334 1069561182 /nfs/dbraw/zinc/56/11/82/1069561182.db2.gz DDQSYTKXZLELBC-VOQZNFBZSA-N 1 0 474.621 3.648 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCc2cccc(NC(=O)OC)c2)CC1 ZINC001311822645 1069561542 /nfs/dbraw/zinc/56/15/42/1069561542.db2.gz PZXFUPMUPHQRFF-KRWDZBQOSA-N 1 0 457.550 3.706 20 0 JHADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001311823096 1069562118 /nfs/dbraw/zinc/56/21/18/1069562118.db2.gz FEMDYBNBLHYIEU-IBGZPJMESA-N 1 0 459.388 3.612 20 0 JHADRO CCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306765347 1069566889 /nfs/dbraw/zinc/56/68/89/1069566889.db2.gz BFUWVGGHYKDKAA-PMACEKPBSA-N 1 0 465.646 3.796 20 0 JHADRO CCCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306765933 1069567557 /nfs/dbraw/zinc/56/75/57/1069567557.db2.gz YYCYXWKPPSGJFZ-KDURUIRLSA-N 1 0 475.707 3.841 20 0 JHADRO CCCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001306770614 1069569909 /nfs/dbraw/zinc/56/99/09/1069569909.db2.gz VTYJAVYHJUCNFR-HXUWFJFHSA-N 1 0 480.451 3.919 20 0 JHADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc[nH]c(=O)c1Br ZINC001306772193 1069570343 /nfs/dbraw/zinc/57/03/43/1069570343.db2.gz QQBLZCDUFVOLED-MRXNPFEDSA-N 1 0 456.344 3.754 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)CC)n2CCn2cc(Br)cn2)C1 ZINC001306778951 1069574279 /nfs/dbraw/zinc/57/42/79/1069574279.db2.gz BREMYZVUDDCPTM-DLBZAZTESA-N 1 0 452.445 3.619 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(C)COCCO2)C1 ZINC001306778989 1069575068 /nfs/dbraw/zinc/57/50/68/1069575068.db2.gz CMXZVPSLIBQRJB-HOYKHHGWSA-N 1 0 479.572 3.520 20 0 JHADRO CCO[C@H]1C[C@@H](NC(=O)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C12CCCC2 ZINC001311849423 1069578558 /nfs/dbraw/zinc/57/85/58/1069578558.db2.gz JMHICXHIXNZNPO-RPWUZVMVSA-N 1 0 459.631 3.713 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)on2)C1 ZINC001306781131 1069578682 /nfs/dbraw/zinc/57/86/82/1069578682.db2.gz RXZYRKDZVMEKHW-INIZCTEOSA-N 1 0 476.423 3.559 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)c2ccco2)C1 ZINC001306779889 1069576635 /nfs/dbraw/zinc/57/66/35/1069576635.db2.gz JSYWFXOMFJWKET-KSFYIVLOSA-N 1 0 491.434 3.705 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cc(C)nn2C)C1 ZINC001306780340 1069577038 /nfs/dbraw/zinc/57/70/38/1069577038.db2.gz MRLXCZQCBYDODT-SFHVURJKSA-N 1 0 486.462 3.966 20 0 JHADRO Cc1csc([C@@H](NC(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C2CC2)n1 ZINC001311849491 1069578861 /nfs/dbraw/zinc/57/88/61/1069578861.db2.gz JWYAGCCLVLDZGS-QFIPXVFZSA-N 1 0 458.628 3.892 20 0 JHADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)c1 ZINC001311849195 1069578109 /nfs/dbraw/zinc/57/81/09/1069578109.db2.gz SZZXMWBTOJPMOE-YTFSRNRJSA-N 1 0 488.426 3.544 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(C(C)(C)C)no2)C1 ZINC001306780833 1069578215 /nfs/dbraw/zinc/57/82/15/1069578215.db2.gz QJIHROLQLHQCIL-IBVKSMDESA-N 1 0 488.677 3.821 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2csc(C(C)(C)C)n2)C1 ZINC001306781313 1069579351 /nfs/dbraw/zinc/57/93/51/1069579351.db2.gz FRVDPORHZYDGQY-GOSISDBHSA-N 1 0 475.707 3.581 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2csc(C(C)(C)C)n2)C1 ZINC001306781314 1069579467 /nfs/dbraw/zinc/57/94/67/1069579467.db2.gz FRVDPORHZYDGQY-SFHVURJKSA-N 1 0 475.707 3.581 20 0 JHADRO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001311850584 1069579473 /nfs/dbraw/zinc/57/94/73/1069579473.db2.gz MKATYAOJSNFKQL-VCOUNFBDSA-N 1 0 457.018 3.995 20 0 JHADRO C[C@@H](NC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc2c(c1)CCO2 ZINC001311851957 1069579882 /nfs/dbraw/zinc/57/98/82/1069579882.db2.gz VXWASAKZHOUITI-LJQANCHMSA-N 1 0 453.583 3.672 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2CCS(=O)(=O)CC2)C1 ZINC001306781482 1069580012 /nfs/dbraw/zinc/58/00/12/1069580012.db2.gz AEBZFQYAPSQXLA-SFHVURJKSA-N 1 0 498.068 3.731 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)Nc2c(C)cccc2C)C1 ZINC001306782565 1069580506 /nfs/dbraw/zinc/58/05/06/1069580506.db2.gz LGSPBWZFISINOM-FCHUYYIVSA-N 1 0 468.646 3.596 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 ZINC001306783342 1069581537 /nfs/dbraw/zinc/58/15/37/1069581537.db2.gz GQZIZXBRCJPBJS-QFIPXVFZSA-N 1 0 485.654 3.608 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(N(C)C)nc2)C1 ZINC001306784525 1069585358 /nfs/dbraw/zinc/58/53/58/1069585358.db2.gz LWBRCQUMXBVOME-OAQYLSRUSA-N 1 0 463.630 3.631 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[C@@H](OC)C(F)(F)F)C1 ZINC001306785300 1069586920 /nfs/dbraw/zinc/58/69/20/1069586920.db2.gz PIJKLUJUNGDMMC-DYESRHJHSA-N 1 0 497.562 3.852 20 0 JHADRO C[NH+]1CCN(C[C@H](NC(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)c2ccccc2)CC1 ZINC001311864811 1069587427 /nfs/dbraw/zinc/58/74/27/1069587427.db2.gz QIZKEFASMMLOQP-SDHOMARFSA-N 1 0 450.627 3.658 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCSC2)C1 ZINC001306788177 1069593489 /nfs/dbraw/zinc/59/34/89/1069593489.db2.gz HJDSKJXQXMPHTH-PXDATVDWSA-N 1 0 473.687 3.510 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCCCC2)C1 ZINC001306787633 1069591731 /nfs/dbraw/zinc/59/17/31/1069591731.db2.gz BQCAZUDPYANNDF-HXUWFJFHSA-N 1 0 459.610 3.860 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2ccccc2N2CCOCC2)C1 ZINC001306787706 1069592267 /nfs/dbraw/zinc/59/22/67/1069592267.db2.gz HGWJJCVHWJVOBA-QFIPXVFZSA-N 1 0 454.663 3.530 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)nc2)C1 ZINC001306787775 1069592468 /nfs/dbraw/zinc/59/24/68/1069592468.db2.gz CKFCSTWLDDDATM-NRFANRHFSA-N 1 0 452.578 3.916 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(O)(CC)CC)C1 ZINC001306787957 1069593053 /nfs/dbraw/zinc/59/30/53/1069593053.db2.gz JULYDTWADDLPHH-SIKLNZKXSA-N 1 0 457.619 3.510 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(NC(C)=O)nc2)C1 ZINC001306789017 1069594194 /nfs/dbraw/zinc/59/41/94/1069594194.db2.gz SSSWYMFHDSYLES-HSZRJFAPSA-N 1 0 475.641 3.747 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NC2CCCCC2)C1 ZINC001306789004 1069594420 /nfs/dbraw/zinc/59/44/20/1069594420.db2.gz NGNHSADXNDYHBV-HXUWFJFHSA-N 1 0 458.676 3.547 20 0 JHADRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccc(Br)cc4)C3)C2)cc1 ZINC001311883804 1069595433 /nfs/dbraw/zinc/59/54/33/1069595433.db2.gz GDIWZUJUCMYQGX-LEWJYISDSA-N 1 0 457.416 3.910 20 0 JHADRO CCCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001306790958 1069597630 /nfs/dbraw/zinc/59/76/30/1069597630.db2.gz CTIAODVHMQYUJT-MRXNPFEDSA-N 1 0 453.429 3.773 20 0 JHADRO CCCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001306791481 1069597983 /nfs/dbraw/zinc/59/79/83/1069597983.db2.gz IKCNGYMMHZSLJX-NRFANRHFSA-N 1 0 476.691 3.552 20 0 JHADRO CCCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCC[NH+]1CCCC1 ZINC001306793968 1069600290 /nfs/dbraw/zinc/60/02/90/1069600290.db2.gz LFYDRBQDOAWIGF-UHFFFAOYSA-N 1 0 451.619 3.958 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC001311891581 1069600367 /nfs/dbraw/zinc/60/03/67/1069600367.db2.gz XDMRWIKHUSYEJS-UXHICEINSA-N 1 0 454.453 3.862 20 0 JHADRO CCO[C@@]1(c2nnc(N3C[C@H]4C[C@]3(C)CCC4)n2CC[N@H+](CC)CCC(F)(F)F)CCOC1 ZINC001314146777 1069601248 /nfs/dbraw/zinc/60/12/48/1069601248.db2.gz XLXNCPRLSRUQSA-COPCDDAFSA-N 1 0 473.584 3.973 20 0 JHADRO CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)o1 ZINC001311903311 1069606613 /nfs/dbraw/zinc/60/66/13/1069606613.db2.gz WASXCXYIIGLYDD-IFMALSPDSA-N 1 0 454.619 3.717 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCCc1ccnc2ccccc12 ZINC001311904164 1069607107 /nfs/dbraw/zinc/60/71/07/1069607107.db2.gz JTHSGIQHGJFSLM-UHFFFAOYSA-N 1 0 452.002 3.942 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCc1cccc(N2CC=CC2)c1 ZINC001311904195 1069607300 /nfs/dbraw/zinc/60/73/00/1069607300.db2.gz KJVVAMDFMLGEPP-UHFFFAOYSA-N 1 0 454.018 3.728 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCS[C@H](C(F)(F)F)C1 ZINC001311905525 1069607754 /nfs/dbraw/zinc/60/77/54/1069607754.db2.gz VKOUBRFEYSPOQA-KRWDZBQOSA-N 1 0 450.958 3.541 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001306802127 1069608024 /nfs/dbraw/zinc/60/80/24/1069608024.db2.gz GCRMLQPSGPVTHE-QFBILLFUSA-N 1 0 465.440 3.773 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cnccn2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001306803472 1069612291 /nfs/dbraw/zinc/61/22/91/1069612291.db2.gz BFPGOUZQROCYHY-QHCPKHFHSA-N 1 0 467.593 3.556 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001306804781 1069614979 /nfs/dbraw/zinc/61/49/79/1069614979.db2.gz NNIDPZDTXDWXPP-QGZVFWFLSA-N 1 0 464.039 3.703 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001306805059 1069615029 /nfs/dbraw/zinc/61/50/29/1069615029.db2.gz UYXZJVSOTNTEKH-MOPGFXCFSA-N 1 0 476.691 3.846 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001306805255 1069615846 /nfs/dbraw/zinc/61/58/46/1069615846.db2.gz WSZZHERFFFCPDB-PMACEKPBSA-N 1 0 495.455 3.846 20 0 JHADRO CCCN(C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001311926993 1069616624 /nfs/dbraw/zinc/61/66/24/1069616624.db2.gz FJKZRZFVMVFYPZ-ZRBLBEILSA-N 1 0 458.647 3.509 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCc2oncc2C1 ZINC001306806292 1069617999 /nfs/dbraw/zinc/61/79/99/1069617999.db2.gz CAKGSURZXWWQEB-UHFFFAOYSA-N 1 0 489.418 3.999 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001306807091 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NYDCFOYXJNUIKE-QFIPXVFZSA-N 1 0 456.537 3.946 20 0 JHADRO CCCN(Cc1ccc(F)cc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)[NH+](C)C ZINC001306810876 1069630486 /nfs/dbraw/zinc/63/04/86/1069630486.db2.gz IRTMREZSZMCYFW-INIZCTEOSA-N 1 0 457.529 3.570 20 0 JHADRO O=C(NCCc1ccn(-c2ccc(F)cc2)n1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001311956693 1069635865 /nfs/dbraw/zinc/63/58/65/1069635865.db2.gz MJMQQSBFKMOFLW-UHFFFAOYSA-N 1 0 451.546 3.528 20 0 JHADRO CCOc1c(OC)cc(Cn2c(C3CCC3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1OC ZINC001314158397 1069635927 /nfs/dbraw/zinc/63/59/27/1069635927.db2.gz XRCSZNCHUYOQIU-UHFFFAOYSA-N 1 0 457.619 3.930 20 0 JHADRO CCOc1cc(Cn2c(-c3cnccn3)nnc2N2CC[NH+](C(C)(C)C)CC2)ccc1OC(F)F ZINC001314162754 1069652910 /nfs/dbraw/zinc/65/29/10/1069652910.db2.gz DSESMUZUEQMFPX-UHFFFAOYSA-N 1 0 487.555 3.704 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CC[N@@H+]2CCCC[C@@H]2CC)cc1OC ZINC001314163099 1069654110 /nfs/dbraw/zinc/65/41/10/1069654110.db2.gz DFEVRTQBBZGNIV-SFTDATJTSA-N 1 0 457.619 3.842 20 0 JHADRO CCC(CC)(CNC(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC001311993874 1069656227 /nfs/dbraw/zinc/65/62/27/1069656227.db2.gz MDMDKTYTKFATKT-RBUKOAKNSA-N 1 0 457.644 3.909 20 0 JHADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC001306847563 1069658432 /nfs/dbraw/zinc/65/84/32/1069658432.db2.gz ZLLXSFVIIMDSLB-BFUOFWGJSA-N 1 0 455.502 3.560 20 0 JHADRO Cc1cc(N2CCN(C(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)CC2)nc(C(C)C)n1 ZINC001311997534 1069658665 /nfs/dbraw/zinc/65/86/65/1069658665.db2.gz MQRSPDAMGRQKDC-NRFANRHFSA-N 1 0 450.631 3.966 20 0 JHADRO C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001311998601 1069658939 /nfs/dbraw/zinc/65/89/39/1069658939.db2.gz WOWXWXCYSSZGLP-AOJNWGRGSA-N 1 0 450.627 3.801 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@@H+]2CCC[C@H]2C)cc1OC ZINC001314167005 1069667178 /nfs/dbraw/zinc/66/71/78/1069667178.db2.gz YEXIIJXAMQGJOG-TZIWHRDSSA-N 1 0 457.619 3.842 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)C[C@H]3CCOC3)n2CC2([NH+](C)C)CCCC2)cc1OC ZINC001314167047 1069667660 /nfs/dbraw/zinc/66/76/60/1069667660.db2.gz ZYBPARXQPGGRJM-LJQANCHMSA-N 1 0 457.619 3.700 20 0 JHADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](c3cc(F)cc(Br)c3)C3CC3)C2)CC1 ZINC001312016031 1069672151 /nfs/dbraw/zinc/67/21/51/1069672151.db2.gz RUKBPEBOVTZXOD-ICSRJNTNSA-N 1 0 453.400 3.507 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@@H]3C)n2CC2(O)CCCCC2)cc1OC ZINC001314168645 1069673256 /nfs/dbraw/zinc/67/32/56/1069673256.db2.gz QVJHJWGYCQVMPE-UXHICEINSA-N 1 0 471.646 3.967 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001314168710 1069673758 /nfs/dbraw/zinc/67/37/58/1069673758.db2.gz HQTXRDKAOLQZPJ-ZJOUEHCJSA-N 1 0 459.635 3.942 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)Cc3nccs3)n2CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC001314168853 1069674448 /nfs/dbraw/zinc/67/44/48/1069674448.db2.gz QGMCILAVYRHUCL-KRWDZBQOSA-N 1 0 456.616 3.930 20 0 JHADRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC001312022967 1069675801 /nfs/dbraw/zinc/67/58/01/1069675801.db2.gz DKZOQWPFFCMSDI-GSDHBNRESA-N 1 0 451.611 3.836 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1OC ZINC001314170287 1069679850 /nfs/dbraw/zinc/67/98/50/1069679850.db2.gz YYSTVOFBVBYJLN-AVRWGWEMSA-N 1 0 489.686 3.793 20 0 JHADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)[C@@H]1c1ccccc1 ZINC001306898327 1069678404 /nfs/dbraw/zinc/67/84/04/1069678404.db2.gz ZOAPTTCRWHMVHY-OKYOBFRVSA-N 1 0 455.521 3.984 20 0 JHADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC001312035096 1069686328 /nfs/dbraw/zinc/68/63/28/1069686328.db2.gz HIWKBYAJJYGRKM-QRWLVFNGSA-N 1 0 454.384 3.936 20 0 JHADRO O=C(NCC1(c2ccccc2Br)CCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001312037031 1069686965 /nfs/dbraw/zinc/68/69/65/1069686965.db2.gz NBBGYXGGJNGWIE-QGZVFWFLSA-N 1 0 450.421 3.671 20 0 JHADRO CC(C)(C)n1nc(Br)c2c1ncnc2NCC1([NH+]2CCCCC2)CCOCC1 ZINC001306976610 1069692712 /nfs/dbraw/zinc/69/27/12/1069692712.db2.gz OXGQQUGCUSLFCV-UHFFFAOYSA-N 1 0 451.413 3.791 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2c(CC)nn(C)c2CC)cc1OC ZINC001314174694 1069699324 /nfs/dbraw/zinc/69/93/24/1069699324.db2.gz FFVWANDPASTNJU-UHFFFAOYSA-N 1 0 495.672 3.789 20 0 JHADRO CCC[NH+](CCC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)=C(Br)C1 ZINC001307004730 1069700212 /nfs/dbraw/zinc/70/02/12/1069700212.db2.gz IJJUSWNNMCIRPM-SFHVURJKSA-N 1 0 467.456 3.620 20 0 JHADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001312065593 1069700956 /nfs/dbraw/zinc/70/09/56/1069700956.db2.gz SVOHXMNNXZEVEH-PQNGQFLHSA-N 1 0 455.672 3.641 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001307005595 1069700996 /nfs/dbraw/zinc/70/09/96/1069700996.db2.gz XLFNUFSRVRYVJZ-NRFANRHFSA-N 1 0 477.657 3.981 20 0 JHADRO CCC[NH+](CCC)CCCn1c([C@H]2CCCO2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001307007949 1069703253 /nfs/dbraw/zinc/70/32/53/1069703253.db2.gz DZLKKUNYIQNULA-QGZVFWFLSA-N 1 0 469.556 3.877 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1OC ZINC001314176001 1069704573 /nfs/dbraw/zinc/70/45/73/1069704573.db2.gz RPMXYAYBRSYZDK-JAXLGGSGSA-N 1 0 471.646 3.682 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCCOC2)cc1OC ZINC001314176489 1069706921 /nfs/dbraw/zinc/70/69/21/1069706921.db2.gz LTXZWJLMRXTFPC-FQEVSTJZSA-N 1 0 457.619 3.557 20 0 JHADRO CCC[NH+](CCC)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001307010916 1069711051 /nfs/dbraw/zinc/71/10/51/1069711051.db2.gz ZTPHWEQEKSCNSD-NRFANRHFSA-N 1 0 478.682 3.741 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(F)(F)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1OC ZINC001314178977 1069717483 /nfs/dbraw/zinc/71/74/83/1069717483.db2.gz ZGEDROXWSIKGIN-IBGZPJMESA-N 1 0 479.572 3.555 20 0 JHADRO COc1ccc([C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c2ccccc2Cl)c(C)c1 ZINC001312091708 1069715972 /nfs/dbraw/zinc/71/59/72/1069715972.db2.gz YUAJQKWEXYLBEV-VXNXHJTFSA-N 1 0 458.002 3.987 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H](OC)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001314179263 1069718040 /nfs/dbraw/zinc/71/80/40/1069718040.db2.gz UUOMIQMAOMSSPR-SIKLNZKXSA-N 1 0 457.619 3.698 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001314179247 1069718182 /nfs/dbraw/zinc/71/81/82/1069718182.db2.gz UFIOERKZGRWCOO-RTBURBONSA-N 1 0 457.644 3.945 20 0 JHADRO CO[C@H](CNC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(Cl)cc1 ZINC001312096441 1069718492 /nfs/dbraw/zinc/71/84/92/1069718492.db2.gz BBJKYGDZOVTXTP-HSZRJFAPSA-N 1 0 451.055 3.865 20 0 JHADRO CCCN(CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC001307013861 1069718791 /nfs/dbraw/zinc/71/87/91/1069718791.db2.gz RDMVKGRCXSCRRM-LEWJYISDSA-N 1 0 485.677 3.830 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCc2ccn(C)n2)cc1OC ZINC001314179620 1069719540 /nfs/dbraw/zinc/71/95/40/1069719540.db2.gz OSSDKIDYDKJRFI-UHFFFAOYSA-N 1 0 495.672 3.887 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001314181720 1069726030 /nfs/dbraw/zinc/72/60/30/1069726030.db2.gz QCACTMJKUKYSQV-UHFFFAOYSA-N 1 0 464.614 3.530 20 0 JHADRO CCOc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCCCC2)cc1OC ZINC001314183533 1069732824 /nfs/dbraw/zinc/73/28/24/1069732824.db2.gz ILAUZYLYELCVGQ-NRFANRHFSA-N 1 0 457.619 3.702 20 0 JHADRO CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001307026431 1069733407 /nfs/dbraw/zinc/73/34/07/1069733407.db2.gz PVWRPGJAMPKXJK-UHFFFAOYSA-N 1 0 454.663 3.837 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2SC)CC1 ZINC001307028763 1069735781 /nfs/dbraw/zinc/73/57/81/1069735781.db2.gz BZQCVNPBMMFGPB-UHFFFAOYSA-N 1 0 470.687 3.994 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001307028891 1069735852 /nfs/dbraw/zinc/73/58/52/1069735852.db2.gz CJZNUMYBIAWSOW-CTNGQTDRSA-N 1 0 462.683 3.712 20 0 JHADRO CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001307030219 1069737914 /nfs/dbraw/zinc/73/79/14/1069737914.db2.gz IHYSDQXTIKTMGN-INIZCTEOSA-N 1 0 454.402 3.732 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001307031054 1069740124 /nfs/dbraw/zinc/74/01/24/1069740124.db2.gz HQOQFLKMPAQVIY-DOTOQJQBSA-N 1 0 466.399 3.804 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCCS(C)(=O)=O)CC1 ZINC001307032007 1069742968 /nfs/dbraw/zinc/74/29/68/1069742968.db2.gz PVWPLPVSPLJDSH-UHFFFAOYSA-N 1 0 486.057 3.731 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@@H](NC(C)=O)C2)C1 ZINC001307031363 1069741726 /nfs/dbraw/zinc/74/17/26/1069741726.db2.gz DIQMDNKLTRXEKI-OEMFJLHTSA-N 1 0 482.673 3.872 20 0 JHADRO CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC001314187614 1069743090 /nfs/dbraw/zinc/74/30/90/1069743090.db2.gz OYTCQVFYSDGINJ-GOSISDBHSA-N 1 0 455.628 3.916 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@@H](OCC)C2)C1 ZINC001307032481 1069743808 /nfs/dbraw/zinc/74/38/08/1069743808.db2.gz UCHHDJPDWQGCNP-PZJWPPBQSA-N 1 0 457.619 3.700 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001307033149 1069747595 /nfs/dbraw/zinc/74/75/95/1069747595.db2.gz IQLPDNNTUJHTDJ-LJQANCHMSA-N 1 0 457.619 3.521 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2Cc3ccccc3O[C@H](C)C2)C1 ZINC001307033439 1069748165 /nfs/dbraw/zinc/74/81/65/1069748165.db2.gz OITFETKRTBCJNY-NJYVYQBISA-N 1 0 457.619 3.522 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC2CC[NH+](CC)CC2)cc1 ZINC001314191297 1069752988 /nfs/dbraw/zinc/75/29/88/1069752988.db2.gz KWEXUESOTBGSBZ-SFTDATJTSA-N 1 0 498.672 3.606 20 0 JHADRO C[C@@H](NC(=O)NCC1(c2cccc(Br)c2)CCCCC1)[C@H]1C[N@H+](C)CCN1C ZINC001312153875 1069752632 /nfs/dbraw/zinc/75/26/32/1069752632.db2.gz UDWKKSCDFXPFKR-YLJYHZDGSA-N 1 0 451.453 3.585 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cc(Cl)ccc2OC)C1 ZINC001307033590 1069748397 /nfs/dbraw/zinc/74/83/97/1069748397.db2.gz BTXDFGRCWZYZOP-KRWDZBQOSA-N 1 0 458.010 3.709 20 0 JHADRO CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1OC ZINC001314189923 1069748589 /nfs/dbraw/zinc/74/85/89/1069748589.db2.gz WUGQWNGSIJNYOO-UHFFFAOYSA-N 1 0 465.602 3.501 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307033795 1069748739 /nfs/dbraw/zinc/74/87/39/1069748739.db2.gz DPLXEDDBUHPASM-TZIWHRDSSA-N 1 0 469.634 3.566 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H](C)CC)nnc2N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC001307035164 1069752794 /nfs/dbraw/zinc/75/27/94/1069752794.db2.gz JVUQVWWAHKVLDF-NHCUHLMSSA-N 1 0 452.647 3.922 20 0 JHADRO C[C@@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1nc(-c2cccc(F)c2)no1 ZINC001312154299 1069753456 /nfs/dbraw/zinc/75/34/56/1069753456.db2.gz WSHRAOAYKMHMQX-UTKZUKDTSA-N 1 0 453.518 3.527 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccccn2)C1 ZINC001307035421 1069753691 /nfs/dbraw/zinc/75/36/91/1069753691.db2.gz USOUIVPRHQAXIN-KRWDZBQOSA-N 1 0 472.435 3.809 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC001307035713 1069754642 /nfs/dbraw/zinc/75/46/42/1069754642.db2.gz LZTFRANRPVGHKG-VQTJNVASSA-N 1 0 477.613 3.863 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCCC[C@@H](COC)C2)C1 ZINC001307035977 1069755469 /nfs/dbraw/zinc/75/54/69/1069755469.db2.gz VXUZPZHXKMRGEI-LEWJYISDSA-N 1 0 471.646 3.947 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)O[C@@H](CC)C2)C1 ZINC001307035937 1069755553 /nfs/dbraw/zinc/75/55/53/1069755553.db2.gz VCEXMLNNQVNQDZ-AOIWGVFYSA-N 1 0 479.467 3.782 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)C)nnc2N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC001307039232 1069763572 /nfs/dbraw/zinc/76/35/72/1069763572.db2.gz SQPZDROZRBCQMR-FGZHOGPDSA-N 1 0 458.695 3.683 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3C)nnc2N2CCC(N(C)C(C)=O)CC2)CC1 ZINC001307038588 1069761279 /nfs/dbraw/zinc/76/12/79/1069761279.db2.gz IHRDQWUYQBXSHE-UHFFFAOYSA-N 1 0 466.674 3.746 20 0 JHADRO COc1cccc(C(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c2cccc(OC)c2)c1 ZINC001312167756 1069762006 /nfs/dbraw/zinc/76/20/06/1069762006.db2.gz LQYKWDJHJNGCFD-UHFFFAOYSA-N 1 0 454.615 3.509 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001307038738 1069762258 /nfs/dbraw/zinc/76/22/58/1069762258.db2.gz LYABUQGNCQPURQ-ZWKOTPCHSA-N 1 0 468.067 3.590 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3C)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001307039056 1069762915 /nfs/dbraw/zinc/76/29/15/1069762915.db2.gz OVIHKDFFOVMESP-UHFFFAOYSA-N 1 0 454.663 3.650 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N(C)C3CCC3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001314194142 1069762932 /nfs/dbraw/zinc/76/29/32/1069762932.db2.gz QPBRLNHRVDLNLN-LJQANCHMSA-N 1 0 457.619 3.916 20 0 JHADRO CCOC(=O)c1sc(CNC(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)nc1C ZINC001312171669 1069764902 /nfs/dbraw/zinc/76/49/02/1069764902.db2.gz UBSHRKQPEMOZAH-HNNXBMFYSA-N 1 0 458.506 3.749 20 0 JHADRO O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001312178101 1069767838 /nfs/dbraw/zinc/76/78/38/1069767838.db2.gz JIEDZOXLYXBWGI-VWLOTQADSA-N 1 0 451.611 3.969 20 0 JHADRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001312178650 1069768469 /nfs/dbraw/zinc/76/84/69/1069768469.db2.gz NOZYPGQHAVGVKC-SFHVURJKSA-N 1 0 456.578 3.977 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CCOc3ccccc3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001307042519 1069772019 /nfs/dbraw/zinc/77/20/19/1069772019.db2.gz SKRZUKXYGYQCKH-UHFFFAOYSA-N 1 0 494.606 3.706 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001307042654 1069772990 /nfs/dbraw/zinc/77/29/90/1069772990.db2.gz LDAYQFJKRKAOAR-LEWJYISDSA-N 1 0 490.693 3.740 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001307042810 1069773160 /nfs/dbraw/zinc/77/31/60/1069773160.db2.gz VDEDNHACHLAHKJ-UHFFFAOYSA-N 1 0 482.673 3.558 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3cccc(C)c3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001307043131 1069773861 /nfs/dbraw/zinc/77/38/61/1069773861.db2.gz ZNWUMXVJSHPKTO-DEOSSOPVSA-N 1 0 482.673 3.592 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001307043684 1069775107 /nfs/dbraw/zinc/77/51/07/1069775107.db2.gz LZSPLILOUMBYLS-FCHUYYIVSA-N 1 0 490.693 3.788 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)S[C@@H](C)C2)C1 ZINC001307043786 1069776086 /nfs/dbraw/zinc/77/60/86/1069776086.db2.gz BHDFMHIGQMZMEN-HSALFYBXSA-N 1 0 459.660 3.928 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001307044042 1069776577 /nfs/dbraw/zinc/77/65/77/1069776577.db2.gz CAGSNWNZIFXWBO-QHCPKHFHSA-N 1 0 483.657 3.985 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CCC(C(=O)OC)CC2)C1 ZINC001307044378 1069777195 /nfs/dbraw/zinc/77/71/95/1069777195.db2.gz DORYFOVOLWCCGC-HXUWFJFHSA-N 1 0 469.630 3.541 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001307044745 1069779765 /nfs/dbraw/zinc/77/97/65/1069779765.db2.gz IQCMWHMQJWKSFH-HXUWFJFHSA-N 1 0 489.064 3.595 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001307045799 1069783228 /nfs/dbraw/zinc/78/32/28/1069783228.db2.gz ORKCHRSKFHBXCA-OAQYLSRUSA-N 1 0 479.572 3.697 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCOCC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001314198621 1069783923 /nfs/dbraw/zinc/78/39/23/1069783923.db2.gz BNOYGZRUWONAMR-FQEVSTJZSA-N 1 0 487.645 3.543 20 0 JHADRO CC1(C)[C@H](NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H]1OCc1ccccc1 ZINC001312205290 1069780708 /nfs/dbraw/zinc/78/07/08/1069780708.db2.gz KZKJSUYHWZDVFY-RPBOFIJWSA-N 1 0 451.611 3.826 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC001312205766 1069781499 /nfs/dbraw/zinc/78/14/99/1069781499.db2.gz NCFJUSQRJMZFTQ-UHFFFAOYSA-N 1 0 451.611 3.903 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(OC)c3)n2CCCc2cnn(C)c2)CC1 ZINC001307045261 1069781513 /nfs/dbraw/zinc/78/15/13/1069781513.db2.gz FTOGPMBNUGEOEL-UHFFFAOYSA-N 1 0 451.619 3.631 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(=O)NC(C)C)CC1 ZINC001307045228 1069781771 /nfs/dbraw/zinc/78/17/71/1069781771.db2.gz DOURCGFTNMWBCD-GOSISDBHSA-N 1 0 472.703 3.967 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CCCOC)CC1 ZINC001307046492 1069785470 /nfs/dbraw/zinc/78/54/70/1069785470.db2.gz ZOWMPKAEBDTTKQ-UHFFFAOYSA-N 1 0 492.709 3.987 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCC(S(=O)(=O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046762 1069786852 /nfs/dbraw/zinc/78/68/52/1069786852.db2.gz MIAJSLGSAWVNOZ-FQEVSTJZSA-N 1 0 473.687 3.750 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CC[C@H](COC)C2)C1 ZINC001307047047 1069787129 /nfs/dbraw/zinc/78/71/29/1069787129.db2.gz UKSFEDHYOLYVRZ-MOPGFXCFSA-N 1 0 492.462 3.824 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCC(C(=O)Nc4ccc(C)cn4)CC3)nnc2C(C)(C)C)C1 ZINC001307047174 1069788354 /nfs/dbraw/zinc/78/83/54/1069788354.db2.gz QRJMPQGBCPVFTC-HXUWFJFHSA-N 1 0 467.662 3.866 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C2CCC(NC(C)=O)CC2)C1 ZINC001307047599 1069790525 /nfs/dbraw/zinc/79/05/25/1069790525.db2.gz VYSGODYTSYXQHS-KQGPZRGRSA-N 1 0 488.721 3.812 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN([C@@H](C)c4nc(C(C)C)no4)CC3)nnc2C(C)(C)C)C1 ZINC001307047704 1069790535 /nfs/dbraw/zinc/79/05/35/1069790535.db2.gz YRSUIHYFURIGHI-VQTJNVASSA-N 1 0 472.682 3.697 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N(C)[C@H](C)c3cccc(O)c3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001307047481 1069789956 /nfs/dbraw/zinc/78/99/56/1069789956.db2.gz TZRFHMGNMJQJPW-YZIHRLCOSA-N 1 0 471.646 3.954 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN([C@H](C)c4nc(C(C)C)no4)CC3)nnc2C(C)(C)C)C1 ZINC001307047703 1069790725 /nfs/dbraw/zinc/79/07/25/1069790725.db2.gz YRSUIHYFURIGHI-UXHICEINSA-N 1 0 472.682 3.697 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001307048747 1069794733 /nfs/dbraw/zinc/79/47/33/1069794733.db2.gz FQBLNLFMOPXBAE-DEOSSOPVSA-N 1 0 468.690 3.787 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)CC1 ZINC001307047803 1069791363 /nfs/dbraw/zinc/79/13/63/1069791363.db2.gz AFQMUZHDPWSLIJ-RUZDIDTESA-N 1 0 486.680 3.675 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001307047945 1069791944 /nfs/dbraw/zinc/79/19/44/1069791944.db2.gz GOVJOGKOVYUZIM-XMMPIXPASA-N 1 0 454.644 3.544 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(Cl)cc3)n2CC2(C(N)=O)CCCC2)CC1 ZINC001307048749 1069794593 /nfs/dbraw/zinc/79/45/93/1069794593.db2.gz YATFGPFSOYYPSP-UHFFFAOYSA-N 1 0 473.065 3.879 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3OC)n2Cc2csc(COC)n2)CC1 ZINC001307048891 1069795452 /nfs/dbraw/zinc/79/54/52/1069795452.db2.gz AWFDNAFUYJFUDS-UHFFFAOYSA-N 1 0 470.643 3.916 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(OC)CCOC2)CC1 ZINC001307049364 1069797630 /nfs/dbraw/zinc/79/76/30/1069797630.db2.gz KCKSYTZXBCDTFY-XMMPIXPASA-N 1 0 479.572 3.663 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(N4CCCCC4=O)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001314202236 1069800218 /nfs/dbraw/zinc/80/02/18/1069800218.db2.gz YKOORHGEPGELJD-RTWAWAEBSA-N 1 0 498.672 3.748 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCCC[C@H](SCC)C2)C1 ZINC001307050559 1069800940 /nfs/dbraw/zinc/80/09/40/1069800940.db2.gz ZIOHZQJCOHIAQT-MLNNCEHLSA-N 1 0 465.708 3.846 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001307051447 1069804506 /nfs/dbraw/zinc/80/45/06/1069804506.db2.gz NWSXUEMKSNAECM-UHFFFAOYSA-N 1 0 484.624 3.702 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001314202373 1069801492 /nfs/dbraw/zinc/80/14/92/1069801492.db2.gz PXLHWWOSYFKSCU-FYYLOGMGSA-N 1 0 498.672 3.654 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccccc3OC)n2C[C@H]2CCCCO2)CC1 ZINC001307050651 1069801672 /nfs/dbraw/zinc/80/16/72/1069801672.db2.gz DRZOHRFFBLMDBH-OAQYLSRUSA-N 1 0 457.619 3.745 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001314202555 1069802056 /nfs/dbraw/zinc/80/20/56/1069802056.db2.gz MRQPJXOSOKWUET-PMACEKPBSA-N 1 0 457.619 3.916 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2C(F)(F)F)CC1 ZINC001307050874 1069802350 /nfs/dbraw/zinc/80/23/50/1069802350.db2.gz ASRLLVFFNVVWQG-LJQANCHMSA-N 1 0 464.536 3.607 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCc2nc(C(C)(C)C)cs2)CC1 ZINC001307050997 1069802559 /nfs/dbraw/zinc/80/25/59/1069802559.db2.gz CKWVMTOESMLENU-UHFFFAOYSA-N 1 0 470.691 3.986 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001307051141 1069803048 /nfs/dbraw/zinc/80/30/48/1069803048.db2.gz XYPTTZRYINLCGF-NHCUHLMSSA-N 1 0 468.646 3.624 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCSC2(C)C)CC1 ZINC001307052658 1069808998 /nfs/dbraw/zinc/80/89/98/1069808998.db2.gz BVEHNQCGXFMUCE-HXUWFJFHSA-N 1 0 459.708 3.982 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2Cc2cccc(Br)n2)CC1 ZINC001307052121 1069807161 /nfs/dbraw/zinc/80/71/61/1069807161.db2.gz ZCWAARAPMLQBFD-GOSISDBHSA-N 1 0 463.424 3.646 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccsc3)n2Cc2ccc(OC)nc2OC)CC1 ZINC001307053112 1069811350 /nfs/dbraw/zinc/81/13/50/1069811350.db2.gz JEGAQFWUGNSMQU-UHFFFAOYSA-N 1 0 470.643 3.702 20 0 JHADRO COc1cc2[nH]c(CCCNC(=O)N3CCN(CCc4cccs4)CC3)cc2c(OC)c1 ZINC001312259294 1069816938 /nfs/dbraw/zinc/81/69/38/1069816938.db2.gz FYTUJYXMJVRHSZ-UHFFFAOYSA-N 1 0 456.612 3.749 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001307054665 1069817221 /nfs/dbraw/zinc/81/72/21/1069817221.db2.gz KSNNGWLPIUIWHD-UYAOXDASSA-N 1 0 489.462 3.674 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CC)C1 ZINC001307054645 1069817711 /nfs/dbraw/zinc/81/77/11/1069817711.db2.gz KPFCCJYJTURJMN-WOJBJXKFSA-N 1 0 457.619 3.842 20 0 JHADRO CCOc1cccc(CCn2c(N3CCC(C[NH+]4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001314207058 1069818931 /nfs/dbraw/zinc/81/89/31/1069818931.db2.gz WYNKMFIIPNIWCZ-UHFFFAOYSA-N 1 0 455.647 3.766 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001307055539 1069822816 /nfs/dbraw/zinc/82/28/16/1069822816.db2.gz PSTQBMSHPRODOQ-CTNGQTDRSA-N 1 0 459.038 3.825 20 0 JHADRO CCOc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC001314208413 1069824767 /nfs/dbraw/zinc/82/47/67/1069824767.db2.gz BMUMWPCWXXJEMV-JOCHJYFZSA-N 1 0 454.663 3.530 20 0 JHADRO CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)[NH2+][C@H](C)c1ccccc1 ZINC001312268622 1069825747 /nfs/dbraw/zinc/82/57/47/1069825747.db2.gz AFUZNLZMHAHDNI-LFGUQSLTSA-N 1 0 456.553 3.850 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001307056469 1069827324 /nfs/dbraw/zinc/82/73/24/1069827324.db2.gz AFWHXESJFRMAPO-JOCHJYFZSA-N 1 0 468.646 3.618 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(CC(C)C)n3CC3([NH+](C)C)CCCCC3)CC2)n1 ZINC001314209708 1069829176 /nfs/dbraw/zinc/82/91/76/1069829176.db2.gz XGIGXFKKPWRMIG-UHFFFAOYSA-N 1 0 469.678 3.861 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001307056818 1069829621 /nfs/dbraw/zinc/82/96/21/1069829621.db2.gz CEPGSDBAHNTMRG-QHCPKHFHSA-N 1 0 483.657 3.726 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307057185 1069833455 /nfs/dbraw/zinc/83/34/55/1069833455.db2.gz HUEQTPUCOYAOGG-QHAWAJNXSA-N 1 0 476.666 3.888 20 0 JHADRO COc1ccccc1N1CC[C@H](NC(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1=O ZINC001312280205 1069834060 /nfs/dbraw/zinc/83/40/60/1069834060.db2.gz QKTKYUVTLNVPFU-JTHBVZDNSA-N 1 0 452.599 3.601 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1F ZINC001307057382 1069834534 /nfs/dbraw/zinc/83/45/34/1069834534.db2.gz JIUOOMFUUAWCSO-NHCUHLMSSA-N 1 0 477.650 3.610 20 0 JHADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N(Cc1cccc(Br)c1)CC1CC1 ZINC001312280902 1069834675 /nfs/dbraw/zinc/83/46/75/1069834675.db2.gz KAVYWLDARMOKBL-NHCUHLMSSA-N 1 0 450.421 3.749 20 0 JHADRO COc1ccc(CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C2CCCCC2)cc1OC ZINC001312280460 1069834899 /nfs/dbraw/zinc/83/48/99/1069834899.db2.gz FCAXXCDCABKJDM-DHIUTWEWSA-N 1 0 459.631 3.926 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CC(C)(C)C)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001307057652 1069836098 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COCCO[C@H]1CCC[N@H+](CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC001307653201 1070103454 /nfs/dbraw/zinc/10/34/54/1070103454.db2.gz BTLPELPYCQMVRG-RDPSFJRHSA-N 1 0 453.583 3.586 20 0 JHADRO COCCO[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC001307653200 1070103473 /nfs/dbraw/zinc/10/34/73/1070103473.db2.gz BTLPELPYCQMVRG-HYBUGGRVSA-N 1 0 453.583 3.586 20 0 JHADRO CCOCc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001314320956 1070106353 /nfs/dbraw/zinc/10/63/53/1070106353.db2.gz ZBFXKXPKLVRAIK-MZKRTTBSSA-N 1 0 498.672 3.611 20 0 JHADRO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1=O ZINC001312757652 1070106888 /nfs/dbraw/zinc/10/68/88/1070106888.db2.gz QKLFDLSZQWKUHS-FDDCHVKYSA-N 1 0 458.553 3.790 20 0 JHADRO Cc1csc([C@@H](C)[NH2+]CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)n1 ZINC001307658810 1070107183 /nfs/dbraw/zinc/10/71/83/1070107183.db2.gz WJXCQGFBONKDJA-CQSZACIVSA-N 1 0 457.021 3.569 20 0 JHADRO C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307671516 1070115571 /nfs/dbraw/zinc/11/55/71/1070115571.db2.gz XJTZWTSZMMMZHP-TWOQFEAHSA-N 1 0 452.521 3.535 20 0 JHADRO CCOCc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001314327591 1070116089 /nfs/dbraw/zinc/11/60/89/1070116089.db2.gz SJSVFKATIUZTFO-KDURUIRLSA-N 1 0 451.681 3.568 20 0 JHADRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC001307675330 1070117781 /nfs/dbraw/zinc/11/77/81/1070117781.db2.gz QGSDLTWNTZULSA-SFHVURJKSA-N 1 0 452.580 3.758 20 0 JHADRO CCCN(C(=O)N[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001312782040 1070118504 /nfs/dbraw/zinc/11/85/04/1070118504.db2.gz KBBGFDQRVQKNHV-LUKWVAJMSA-N 1 0 456.631 3.938 20 0 JHADRO CCOCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCc1ccc(OC)c(Br)c1 ZINC001314329197 1070120104 /nfs/dbraw/zinc/12/01/04/1070120104.db2.gz WJVPWWGIBCBKJO-AEFFLSMTSA-N 1 0 478.435 3.501 20 0 JHADRO COc1ccccc1C(=O)c1c(NC(=O)C[NH2+][C@H]2CCC[C@H]2CCO)sc2c1CCCC2 ZINC001307684655 1070124697 /nfs/dbraw/zinc/12/46/97/1070124697.db2.gz UDNCGAKAQQNGNL-LPHOPBHVSA-N 1 0 456.608 3.946 20 0 JHADRO CCOCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001314330140 1070121639 /nfs/dbraw/zinc/12/16/39/1070121639.db2.gz ZEMNBSXUWZAQDK-WMZOPIPTSA-N 1 0 464.010 3.597 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001314330545 1070122336 /nfs/dbraw/zinc/12/23/36/1070122336.db2.gz BODHSHDDNSJOBP-UHFFFAOYSA-N 1 0 454.619 3.544 20 0 JHADRO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC001307682404 1070123878 /nfs/dbraw/zinc/12/38/78/1070123878.db2.gz CXWXQJRYAIOSAR-WIYYLYMNSA-N 1 0 451.633 3.709 20 0 JHADRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)NCc2ccccc2COc2ccccc2)C1 ZINC001307693281 1070130295 /nfs/dbraw/zinc/13/02/95/1070130295.db2.gz CRSSSCZBZATLJU-IRLDBZIGSA-N 1 0 453.583 3.728 20 0 JHADRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001307694386 1070131819 /nfs/dbraw/zinc/13/18/19/1070131819.db2.gz QFHICHVRYRTOJL-IAGOWNOFSA-N 1 0 458.584 3.786 20 0 JHADRO CCOCc1nnc(N2CCC(c3ccnn3C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314337467 1070133333 /nfs/dbraw/zinc/13/33/33/1070133333.db2.gz CTPWALMFTSVDSQ-PMACEKPBSA-N 1 0 457.667 3.689 20 0 JHADRO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[NH2+][C@@H]3CC[C@H](C)C[C@H]3C)C2=O)cc1 ZINC001307708618 1070137668 /nfs/dbraw/zinc/13/76/68/1070137668.db2.gz NDIALPSXKKWVKA-XYPXGYAXSA-N 1 0 459.612 3.652 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001314341092 1070140224 /nfs/dbraw/zinc/14/02/24/1070140224.db2.gz GBKWQIXIYIUJOV-FPOVZHCZSA-N 1 0 476.666 3.525 20 0 JHADRO CCOC(=O)[C@@]1(COC)CCC[N@H+](CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC001307712436 1070139637 /nfs/dbraw/zinc/13/96/37/1070139637.db2.gz KSKGISCSHULAPJ-AHWVRZQESA-N 1 0 456.558 3.665 20 0 JHADRO Cc1ccccc1[C@@]1(F)CC[N@H+](CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC001307717157 1070142473 /nfs/dbraw/zinc/14/24/73/1070142473.db2.gz GPBVAOPXSBQOON-XMMPIXPASA-N 1 0 459.587 3.679 20 0 JHADRO COc1cc(NC(=O)CC[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)cc(OC)c1OC ZINC001307716971 1070142588 /nfs/dbraw/zinc/14/25/88/1070142588.db2.gz PWCOMFWVMPPUGX-QHCPKHFHSA-N 1 0 455.599 3.931 20 0 JHADRO CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001312825084 1070143593 /nfs/dbraw/zinc/14/35/93/1070143593.db2.gz OFDWZZVTQVKXRP-SFTDATJTSA-N 1 0 456.660 3.778 20 0 JHADRO COc1ccc(OC)c2c1CN(C(=O)NC[C@H]1CCCC[N@H+](Cc3ccccc3)C1)C[C@H]2O ZINC001312825326 1070143865 /nfs/dbraw/zinc/14/38/65/1070143865.db2.gz VXAMUBHJUPGGFT-IFMALSPDSA-N 1 0 453.583 3.565 20 0 JHADRO CCOCc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001314342474 1070144094 /nfs/dbraw/zinc/14/40/94/1070144094.db2.gz FSRCFKCYKATDCX-NHCUHLMSSA-N 1 0 478.682 3.630 20 0 JHADRO C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001312827111 1070144754 /nfs/dbraw/zinc/14/47/54/1070144754.db2.gz WVDGQGAHLYRFOO-RBBKRZOGSA-N 1 0 457.640 3.795 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)C(C)(C)C1 ZINC001307720204 1070145171 /nfs/dbraw/zinc/14/51/71/1070145171.db2.gz BTGZJJHRSZWZPN-AZUAARDMSA-N 1 0 458.628 3.974 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001314342826 1070145128 /nfs/dbraw/zinc/14/51/28/1070145128.db2.gz NIWRVAGTAXJQQK-KDURUIRLSA-N 1 0 490.718 3.943 20 0 JHADRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NCc1ccncc1OC[C@@H]1CCOC1 ZINC001312817929 1070140435 /nfs/dbraw/zinc/14/04/35/1070140435.db2.gz XAIHJNSBXLISHN-VWNXMTODSA-N 1 0 452.599 3.693 20 0 JHADRO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)n[nH]1 ZINC001307722633 1070146892 /nfs/dbraw/zinc/14/68/92/1070146892.db2.gz VADVFPXCPYDEOJ-GOSISDBHSA-N 1 0 456.591 3.654 20 0 JHADRO CC(C)C[N@H+](C)CCCNC(=O)NCC1(NC(=O)OC(C)(C)C)C2CC3CC(C2)CC1C3 ZINC001312836071 1070147093 /nfs/dbraw/zinc/14/70/93/1070147093.db2.gz OOGOGEAXYVFWKA-UHFFFAOYSA-N 1 0 450.668 3.983 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC001307723570 1070147684 /nfs/dbraw/zinc/14/76/84/1070147684.db2.gz GHMTWALFIYODKH-VQTJNVASSA-N 1 0 453.539 3.737 20 0 JHADRO CCOCc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314344366 1070148322 /nfs/dbraw/zinc/14/83/22/1070148322.db2.gz WKPIIKGJNYVOSL-PMACEKPBSA-N 1 0 478.682 3.771 20 0 JHADRO O=C(C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1)NCCc1c(F)cccc1F ZINC001307728637 1070153087 /nfs/dbraw/zinc/15/30/87/1070153087.db2.gz FOGXMNYHOHNRGL-UHFFFAOYSA-N 1 0 458.427 3.818 20 0 JHADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(OC(F)(F)F)cc1 ZINC001307741489 1070160405 /nfs/dbraw/zinc/16/04/05/1070160405.db2.gz JPXWDEQNEZPCJZ-LLVKDONJSA-N 1 0 452.401 3.871 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c2ccccc2)cc1 ZINC001307743037 1070162178 /nfs/dbraw/zinc/16/21/78/1070162178.db2.gz ZENHMRZOXDTAFE-ZNDGRNAPSA-N 1 0 458.624 3.673 20 0 JHADRO CCOCc1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001314348793 1070160738 /nfs/dbraw/zinc/16/07/38/1070160738.db2.gz HXVNOSBRRIWEKQ-NLFFAJNJSA-N 1 0 459.610 3.564 20 0 JHADRO CCOCc1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001314348756 1070160776 /nfs/dbraw/zinc/16/07/76/1070160776.db2.gz GOXYBFBKLLTWGX-OAQYLSRUSA-N 1 0 473.637 3.792 20 0 JHADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC001307752964 1070167669 /nfs/dbraw/zinc/16/76/69/1070167669.db2.gz CPOCNGDNGSWSHW-LEWJYISDSA-N 1 0 453.674 3.842 20 0 JHADRO CCOCc1nnc(N2CCC(Oc3ncccc3F)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314351287 1070170399 /nfs/dbraw/zinc/17/03/99/1070170399.db2.gz BMOAAFTZVDUPFE-RBUKOAKNSA-N 1 0 460.598 3.517 20 0 JHADRO CCCC[N@H+](CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC)[C@@H]1CCCC[C@H]1OC ZINC001307769250 1070176177 /nfs/dbraw/zinc/17/61/77/1070176177.db2.gz DNUCGPUZXCWUSU-HZPDHXFCSA-N 1 0 454.589 3.628 20 0 JHADRO COc1cc(C)c([C@@H](C)NC(=O)CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001307763204 1070172792 /nfs/dbraw/zinc/17/27/92/1070172792.db2.gz PHKKHDAICJKIPH-ZBLYBZFDSA-N 1 0 451.611 3.787 20 0 JHADRO CC[N@H+](CCC1CCN(C(=O)NCC2(C(=O)OC(C)(C)C)CCOCC2)CC1)CC(C)C ZINC001312912280 1070177402 /nfs/dbraw/zinc/17/74/02/1070177402.db2.gz WHRXRKRPEYACHY-UHFFFAOYSA-N 1 0 453.668 3.915 20 0 JHADRO CCOCc1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001314354006 1070174799 /nfs/dbraw/zinc/17/47/99/1070174799.db2.gz CNCBDDLGPXZSKX-HXUWFJFHSA-N 1 0 456.616 3.623 20 0 JHADRO CCOC(=O)[C@H](CCc1ccccc1)[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001307776501 1070178700 /nfs/dbraw/zinc/17/87/00/1070178700.db2.gz ORWZRJODJSGDDA-VJBWXMMDSA-N 1 0 460.615 3.945 20 0 JHADRO CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)CC2)CC1 ZINC001312925460 1070183398 /nfs/dbraw/zinc/18/33/98/1070183398.db2.gz HODADCOQBWARGP-ILWGZMRPSA-N 1 0 464.695 3.579 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314360772 1070184544 /nfs/dbraw/zinc/18/45/44/1070184544.db2.gz OVQQHDLTWYNLKN-FQEVSTJZSA-N 1 0 457.594 3.927 20 0 JHADRO C[C@H]([NH2+]C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)c1ccc(N2CCCNC2=O)cc1 ZINC001307802538 1070189445 /nfs/dbraw/zinc/18/94/45/1070189445.db2.gz FEXYIPKFLKRWJS-CTIGNXTNSA-N 1 0 458.603 3.673 20 0 JHADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)CN2CCc3c(F)ccc(Br)c3C2)CC1 ZINC001307805049 1070191301 /nfs/dbraw/zinc/19/13/01/1070191301.db2.gz CQKOIZGLBYATFL-IBGZPJMESA-N 1 0 457.384 3.954 20 0 JHADRO Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001307805852 1070191467 /nfs/dbraw/zinc/19/14/67/1070191467.db2.gz ZWCIFCOWMUEJKY-UHFFFAOYSA-N 1 0 459.534 3.823 20 0 JHADRO 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3.526 20 0 JHADRO OC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1C(F)(F)F ZINC001308096601 1070310180 /nfs/dbraw/zinc/31/01/80/1070310180.db2.gz FYIZUPQPWFRSKV-GUYCJALGSA-N 1 0 452.242 3.670 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314429221 1070310960 /nfs/dbraw/zinc/31/09/60/1070310960.db2.gz HNFDCLAXQXUZRU-VXKWHMMOSA-N 1 0 461.676 3.540 20 0 JHADRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H]([C@@H]2CCCO2)C1 ZINC001308100646 1070311016 /nfs/dbraw/zinc/31/10/16/1070311016.db2.gz IFAFAFHVSCOGCH-IUBSTNSRSA-N 1 0 456.608 3.776 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001314429788 1070312423 /nfs/dbraw/zinc/31/24/23/1070312423.db2.gz IDEKORZCQNEWJY-XLNZFTOWSA-N 1 0 477.650 3.857 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001314428205 1070308655 /nfs/dbraw/zinc/30/86/55/1070308655.db2.gz FFBBGBGKYVZMGO-NJDAHSKKSA-N 1 0 471.646 3.704 20 0 JHADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NCc1nc(Cc2ccccc2F)no1 ZINC001313284368 1070316091 /nfs/dbraw/zinc/31/60/91/1070316091.db2.gz DDDFPEJPHRYKMX-OAQYLSRUSA-N 1 0 451.546 3.996 20 0 JHADRO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC001308167507 1070333906 /nfs/dbraw/zinc/33/39/06/1070333906.db2.gz SUXDACTYWZDTBK-KRWDZBQOSA-N 1 0 451.583 3.760 20 0 JHADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001308170740 1070334974 /nfs/dbraw/zinc/33/49/74/1070334974.db2.gz JLUHRZBISAPFJD-JECZMYCTSA-N 1 0 457.575 3.609 20 0 JHADRO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1C ZINC001308172523 1070335549 /nfs/dbraw/zinc/33/55/49/1070335549.db2.gz FKZNOIPWHLTDAR-CLOONOSVSA-N 1 0 458.603 3.968 20 0 JHADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC[C@](O)(c1nccn1C)C(F)(F)F ZINC001308218671 1070341913 /nfs/dbraw/zinc/34/19/13/1070341913.db2.gz KETLNCJJVFJAOR-FQEVSTJZSA-N 1 0 455.912 3.865 20 0 JHADRO Ic1ccc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC001308222169 1070342663 /nfs/dbraw/zinc/34/26/63/1070342663.db2.gz SUKXLIAJHYSEGT-UHFFFAOYSA-N 1 0 451.304 3.858 20 0 JHADRO NC(=O)C[C@@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1Cl ZINC001313404479 1070349033 /nfs/dbraw/zinc/34/90/33/1070349033.db2.gz RIWPJPJGGDBXSX-VLVHOKLOSA-N 1 0 455.002 3.856 20 0 JHADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1csc(=NC(=O)OC(C)(C)C)[nH]1 ZINC001313392896 1070346398 /nfs/dbraw/zinc/34/63/98/1070346398.db2.gz PVBFEENOAIXREO-UHFFFAOYSA-N 1 0 451.568 3.903 20 0 JHADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)CC1 ZINC001308273617 1070349260 /nfs/dbraw/zinc/34/92/60/1070349260.db2.gz BQVILHXHVAXGRO-LPHOPBHVSA-N 1 0 450.421 3.599 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001313400815 1070348409 /nfs/dbraw/zinc/34/84/09/1070348409.db2.gz IAHFYZORYQYUPX-XBYSBRQOSA-N 1 0 456.631 3.938 20 0 JHADRO COc1c(Br)cc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1Br ZINC001308277390 1070349859 /nfs/dbraw/zinc/34/98/59/1070349859.db2.gz MKPBFUQWTDWEOQ-NEPJUHHUSA-N 1 0 455.212 3.666 20 0 JHADRO COc1c(Br)cc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1Br ZINC001308277391 1070350134 /nfs/dbraw/zinc/35/01/34/1070350134.db2.gz MKPBFUQWTDWEOQ-NWDGAFQWSA-N 1 0 455.212 3.666 20 0 JHADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC001313411639 1070351561 /nfs/dbraw/zinc/35/15/61/1070351561.db2.gz AEBBTWUHFFDXGO-AUSIDOKSSA-N 1 0 453.537 3.951 20 0 JHADRO COc1cc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)ccc1S(C)(=O)=O ZINC001313417273 1070353232 /nfs/dbraw/zinc/35/32/32/1070353232.db2.gz CZGCDIJGHBMWAY-XLIONFOSSA-N 1 0 451.633 3.504 20 0 JHADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2=O)n(C)n1 ZINC001308296239 1070353650 /nfs/dbraw/zinc/35/36/50/1070353650.db2.gz XLUMCOOWBPDDDL-XHDPSFHLSA-N 1 0 457.884 3.513 20 0 JHADRO CCNC(=O)COc1cccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001308298647 1070353867 /nfs/dbraw/zinc/35/38/67/1070353867.db2.gz VLABGSHXDRDIQY-UHFFFAOYSA-N 1 0 453.583 3.785 20 0 JHADRO COc1cc(OC)cc(N2CC[C@H](C[NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)C2)c1 ZINC001308329205 1070357388 /nfs/dbraw/zinc/35/73/88/1070357388.db2.gz SDXABOPBDYKDQX-OAQYLSRUSA-N 1 0 453.583 3.921 20 0 JHADRO CCOCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001314457146 1070357232 /nfs/dbraw/zinc/35/72/32/1070357232.db2.gz ISXHZKPUTAERTN-SFHVURJKSA-N 1 0 479.467 3.785 20 0 JHADRO CCOc1cc(C[NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)ccc1OCC(C)C ZINC001308337748 1070358392 /nfs/dbraw/zinc/35/83/92/1070358392.db2.gz RJVWWNGMOBEVKM-ZEQRLZLVSA-N 1 0 451.611 3.809 20 0 JHADRO CC[NH+](CC)CC[C@H](C)NC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313433395 1070358528 /nfs/dbraw/zinc/35/85/28/1070358528.db2.gz QFDYPXPAMJPOEU-YUXAGFNASA-N 1 0 462.635 3.818 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001313446370 1070362615 /nfs/dbraw/zinc/36/26/15/1070362615.db2.gz BIZNRTRBAMVIJG-FQEVSTJZSA-N 1 0 480.579 3.903 20 0 JHADRO Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N(C)C ZINC001308372749 1070363272 /nfs/dbraw/zinc/36/32/72/1070363272.db2.gz BKCNQYLXZWUTIG-MZKRTTBSSA-N 1 0 456.635 3.940 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccn1 ZINC001313447164 1070365082 /nfs/dbraw/zinc/36/50/82/1070365082.db2.gz IKUYUNAEMDVXHO-SFHVURJKSA-N 1 0 458.408 3.942 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCOC1 ZINC001313447380 1070366354 /nfs/dbraw/zinc/36/63/54/1070366354.db2.gz JECSYBLRGOGMGC-GJZGRUSLSA-N 1 0 454.438 3.869 20 0 JHADRO CCOCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001314460235 1070366461 /nfs/dbraw/zinc/36/64/61/1070366461.db2.gz CYACNIKTMZXGEQ-PMACEKPBSA-N 1 0 478.682 3.738 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001313447678 1070368480 /nfs/dbraw/zinc/36/84/80/1070368480.db2.gz LZZQJGBFOQJGCY-GMAHTHKFSA-N 1 0 473.687 3.708 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CC)C1 ZINC001313448173 1070370249 /nfs/dbraw/zinc/37/02/49/1070370249.db2.gz MDDSTPWSXVXLPI-FCHUYYIVSA-N 1 0 454.619 3.637 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccon1 ZINC001313449368 1070374578 /nfs/dbraw/zinc/37/45/78/1070374578.db2.gz DRLHDSXCJWKYGA-NRFANRHFSA-N 1 0 487.649 3.891 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313448510 1070370880 /nfs/dbraw/zinc/37/08/80/1070370880.db2.gz RADMPYDLHVDUBX-GJZGRUSLSA-N 1 0 482.448 3.643 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001313448826 1070372413 /nfs/dbraw/zinc/37/24/13/1070372413.db2.gz SDUKPZVTABAOTQ-UXHICEINSA-N 1 0 459.038 3.825 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC001308420024 1070373146 /nfs/dbraw/zinc/37/31/46/1070373146.db2.gz RBQKYARNJOHDKL-RUYXUALKSA-N 1 0 450.421 3.868 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001314464227 1070373725 /nfs/dbraw/zinc/37/37/25/1070373725.db2.gz BRYITSFWGDHODD-XMMPIXPASA-N 1 0 466.630 3.631 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001313449586 1070374414 /nfs/dbraw/zinc/37/44/14/1070374414.db2.gz WWNKAILMTVMYTK-INIZCTEOSA-N 1 0 463.417 3.891 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001314464886 1070375645 /nfs/dbraw/zinc/37/56/45/1070375645.db2.gz QRZTXLREOKMDML-QGZVFWFLSA-N 1 0 467.456 3.783 20 0 JHADRO COc1cccc(OC)c1C[NH2+]Cc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 ZINC001308480438 1070380033 /nfs/dbraw/zinc/38/00/33/1070380033.db2.gz YKJGIJVBNVMBLC-UHFFFAOYSA-N 1 0 453.543 3.599 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001313450232 1070376025 /nfs/dbraw/zinc/37/60/25/1070376025.db2.gz VMNSJUWHJFJWHQ-UEXGIBASSA-N 1 0 459.038 3.828 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccco1 ZINC001313451544 1070380122 /nfs/dbraw/zinc/38/01/22/1070380122.db2.gz XDOVUGGMBFLALQ-FPOVZHCZSA-N 1 0 488.633 3.690 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001313449961 1070376236 /nfs/dbraw/zinc/37/62/36/1070376236.db2.gz UCZKCOIPBDVXPQ-ICSRJNTNSA-N 1 0 480.579 3.819 20 0 JHADRO CCOCCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001314466371 1070377220 /nfs/dbraw/zinc/37/72/20/1070377220.db2.gz OLFXLVPMTXOYLR-UHFFFAOYSA-N 1 0 451.619 3.868 20 0 JHADRO CCOCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001314467020 1070377473 /nfs/dbraw/zinc/37/74/73/1070377473.db2.gz OFNJXXGTHVJDQR-KRWDZBQOSA-N 1 0 450.425 3.973 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2ccc(C(N)=O)cc2)cc1F ZINC001308460587 1070378919 /nfs/dbraw/zinc/37/89/19/1070378919.db2.gz FLRCAPDKYLHLIT-FPOVZHCZSA-N 1 0 457.546 3.816 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001313451211 1070379126 /nfs/dbraw/zinc/37/91/26/1070379126.db2.gz SMJLBDALQFZJDD-NRFANRHFSA-N 1 0 459.038 3.721 20 0 JHADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC001308469881 1070379396 /nfs/dbraw/zinc/37/93/96/1070379396.db2.gz YUTNLTJPLCIPGS-UHFFFAOYSA-N 1 0 458.347 3.990 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H](C)CCSC ZINC001313451464 1070379372 /nfs/dbraw/zinc/37/93/72/1070379372.db2.gz YLXQFAXZPCHZOH-MOPGFXCFSA-N 1 0 483.686 3.644 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313452125 1070381748 /nfs/dbraw/zinc/38/17/48/1070381748.db2.gz DNTQYKNRXLPNEC-QHCPKHFHSA-N 1 0 482.673 3.735 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001313453448 1070385516 /nfs/dbraw/zinc/38/55/16/1070385516.db2.gz VRULTLPNKLZHPQ-OALUTQOASA-N 1 0 453.557 3.793 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccs1 ZINC001313452861 1070384188 /nfs/dbraw/zinc/38/41/88/1070384188.db2.gz PDBFTUOTCFZWGW-KRWDZBQOSA-N 1 0 458.657 3.842 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@@]1(OCC)CCOC1 ZINC001313453092 1070384850 /nfs/dbraw/zinc/38/48/50/1070384850.db2.gz OOIPGPDHUACOHZ-XUZZJYLKSA-N 1 0 463.573 3.719 20 0 JHADRO CCOCCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001314477719 1070388035 /nfs/dbraw/zinc/38/80/35/1070388035.db2.gz IAANLTWWLSCRMW-HXUWFJFHSA-N 1 0 478.682 3.740 20 0 JHADRO C[C@H]1C[C@H](C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001308586587 1070395546 /nfs/dbraw/zinc/39/55/46/1070395546.db2.gz OEXGLAYDSULQQM-VQTJNVASSA-N 1 0 454.656 3.507 20 0 JHADRO C[NH+](C)Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c2c1OC(F)(F)O2 ZINC001308574258 1070392354 /nfs/dbraw/zinc/39/23/54/1070392354.db2.gz QQULXBDHVKBWCJ-UHFFFAOYSA-N 1 0 451.901 3.568 20 0 JHADRO CCCNC(=O)c1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C3CCC3)CC2)c1 ZINC001313456518 1070396149 /nfs/dbraw/zinc/39/61/49/1070396149.db2.gz VTNCAZHMNJHNTC-UHFFFAOYSA-N 1 0 452.647 3.729 20 0 JHADRO CCCn1nc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001313457973 1070400732 /nfs/dbraw/zinc/40/07/32/1070400732.db2.gz BKJSXFLSDQRJQV-JOCHJYFZSA-N 1 0 495.672 3.514 20 0 JHADRO CN(Cc1cn(-c2ccccc2Br)nn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001308613694 1070401838 /nfs/dbraw/zinc/40/18/38/1070401838.db2.gz LZFSYLMPMNLDKL-UHFFFAOYSA-N 1 0 455.404 3.564 20 0 JHADRO C[NH+](C)Cc1ccc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c2c1OC(F)(F)O2 ZINC001308616888 1070402479 /nfs/dbraw/zinc/40/24/79/1070402479.db2.gz WHURMQNNBHFMBC-UHFFFAOYSA-N 1 0 451.901 3.681 20 0 JHADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC001308625230 1070405008 /nfs/dbraw/zinc/40/50/08/1070405008.db2.gz HUSJBXNVXVHJMF-JOCHJYFZSA-N 1 0 456.587 3.972 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1CC ZINC001314494590 1070411152 /nfs/dbraw/zinc/41/11/52/1070411152.db2.gz SUDUFPDTKIEADK-JOCHJYFZSA-N 1 0 490.693 3.906 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C2OCCO2)C[C@@H]1CC ZINC001314493344 1070407742 /nfs/dbraw/zinc/40/77/42/1070407742.db2.gz HMQLYOMBUUCNBV-NRFANRHFSA-N 1 0 471.646 3.606 20 0 JHADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001308642013 1070409080 /nfs/dbraw/zinc/40/90/80/1070409080.db2.gz MFARLKYRCZMLBX-RHSMWYFYSA-N 1 0 454.327 3.685 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)C)C[C@@H]1CC ZINC001314493915 1070409206 /nfs/dbraw/zinc/40/92/06/1070409206.db2.gz MLPQUBMVHWEEEJ-QFIPXVFZSA-N 1 0 456.635 3.740 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C(F)(F)F)C[C@@H]1CC ZINC001314495188 1070412679 /nfs/dbraw/zinc/41/26/79/1070412679.db2.gz DFLRVTPBTPZELV-FQEVSTJZSA-N 1 0 491.562 3.683 20 0 JHADRO Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCN(C(=O)OCc4ccccc4)C3)nc12 ZINC001308672724 1070415105 /nfs/dbraw/zinc/41/51/05/1070415105.db2.gz RJITZHBRDWBLIX-IBGZPJMESA-N 1 0 457.372 3.948 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2[C@@H]2C[C@H]2CF)C[C@H]1CC ZINC001314495762 1070415530 /nfs/dbraw/zinc/41/55/30/1070415530.db2.gz CLARFCFIFNSEQR-CGTJXYLNSA-N 1 0 483.430 3.514 20 0 JHADRO CCOCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001314497050 1070419842 /nfs/dbraw/zinc/41/98/42/1070419842.db2.gz WSBMQSSAKRWLCN-HXUWFJFHSA-N 1 0 461.054 3.631 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cnn(CC)c2)C[C@@H]1CC ZINC001314497739 1070421496 /nfs/dbraw/zinc/42/14/96/1070421496.db2.gz SVSUCUUASOFGJP-QFIPXVFZSA-N 1 0 472.037 3.800 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001313462609 1070421566 /nfs/dbraw/zinc/42/15/66/1070421566.db2.gz XHNPKDXTZZQZLD-JOCHJYFZSA-N 1 0 482.673 3.818 20 0 JHADRO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)C(=O)C1 ZINC001308701965 1070421867 /nfs/dbraw/zinc/42/18/67/1070421867.db2.gz QOOHCHMMAOTRSH-JOCHJYFZSA-N 1 0 450.583 3.792 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCC(F)(F)CC2)C[C@H]1CC ZINC001314497980 1070422079 /nfs/dbraw/zinc/42/20/79/1070422079.db2.gz INVOPKCNUFFXAM-JOCHJYFZSA-N 1 0 493.647 3.902 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001313463550 1070425076 /nfs/dbraw/zinc/42/50/76/1070425076.db2.gz DUDWJSGWOZOJEU-GMAHTHKFSA-N 1 0 470.637 3.625 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001313462834 1070423061 /nfs/dbraw/zinc/42/30/61/1070423061.db2.gz NSHXVECCXNXIFR-NRFANRHFSA-N 1 0 467.662 3.513 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC(F)(F)C2)C[C@@H]1CC ZINC001314500082 1070429709 /nfs/dbraw/zinc/42/97/09/1070429709.db2.gz PXABXLCMTVUVIV-SFTDATJTSA-N 1 0 462.589 3.636 20 0 JHADRO CC(=O)N(c1nc(CN[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cs1)c1ccccc1 ZINC001308747037 1070430227 /nfs/dbraw/zinc/43/02/27/1070430227.db2.gz UMSGLBFSYVYQCJ-ZJSXRUAMSA-N 1 0 450.608 3.800 20 0 JHADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c1 ZINC001308751686 1070430266 /nfs/dbraw/zinc/43/02/66/1070430266.db2.gz LKTCTKNXQVMXMG-MSOLQXFVSA-N 1 0 459.450 3.752 20 0 JHADRO CCOCCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(C)(C)CC)CC1 ZINC001314500812 1070432227 /nfs/dbraw/zinc/43/22/27/1070432227.db2.gz LAJNKGFZSPBXRW-UHFFFAOYSA-N 1 0 492.709 3.987 20 0 JHADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2nc(Br)cs2)cc1Br ZINC001308769291 1070434334 /nfs/dbraw/zinc/43/43/34/1070434334.db2.gz DUNUXPUBFCLNDK-LLVKDONJSA-N 1 0 450.196 3.618 20 0 JHADRO COC(=O)COc1ccc(C[NH+]2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)cc1 ZINC001308792028 1070438005 /nfs/dbraw/zinc/43/80/05/1070438005.db2.gz GYQNQMZSRGGZNX-DNQXCXABSA-N 1 0 452.551 3.765 20 0 JHADRO CN1CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C[C@@H]1c1ccc(Br)cc1 ZINC001308776792 1070436682 /nfs/dbraw/zinc/43/66/82/1070436682.db2.gz IURWDOIWENOIBM-RBZQAINGSA-N 1 0 458.444 3.593 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001313466196 1070437914 /nfs/dbraw/zinc/43/79/14/1070437914.db2.gz LBGLBXYSBCJXSA-TZIWHRDSSA-N 1 0 480.613 3.592 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)c2nc(C)cs2)C[C@@H]1CC ZINC001314503304 1070439483 /nfs/dbraw/zinc/43/94/83/1070439483.db2.gz PAVRUIMEGCISIQ-YSIASYRMSA-N 1 0 462.664 3.635 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(OCCN3CCOCC3)cc1)C2 ZINC001308799518 1070439658 /nfs/dbraw/zinc/43/96/58/1070439658.db2.gz DAZNGQGATUGKRF-AREMUKBSSA-N 1 0 459.631 3.621 20 0 JHADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2c(Br)cc(F)c(F)c2N2CCCCC2)C1 ZINC001308797326 1070439760 /nfs/dbraw/zinc/43/97/60/1070439760.db2.gz XRBSHPZXFAITRR-CYBMUJFWSA-N 1 0 451.377 3.632 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001313466773 1070440614 /nfs/dbraw/zinc/44/06/14/1070440614.db2.gz UHOLVRCPHMDDOS-XZOQPEGZSA-N 1 0 484.664 3.871 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCCC2)C1 ZINC001314504861 1070446053 /nfs/dbraw/zinc/44/60/53/1070446053.db2.gz IXABGMDESRJJMF-KRWDZBQOSA-N 1 0 498.491 3.887 20 0 JHADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001308842715 1070446845 /nfs/dbraw/zinc/44/68/45/1070446845.db2.gz DGYNTINFDPOHLY-HSQYWUDLSA-N 1 0 458.599 3.727 20 0 JHADRO CN1CC[N@H+](Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)[C@@H](Cc2ccccc2)C1 ZINC001308849065 1070448252 /nfs/dbraw/zinc/44/82/52/1070448252.db2.gz MCJQASMFXRGSCC-QFIPXVFZSA-N 1 0 454.615 3.695 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](C)[NH+](C)C)C1 ZINC001314505759 1070449466 /nfs/dbraw/zinc/44/94/66/1070449466.db2.gz QORDZAKQJAEXEJ-ICSRJNTNSA-N 1 0 461.676 3.857 20 0 JHADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC001308861647 1070450619 /nfs/dbraw/zinc/45/06/19/1070450619.db2.gz CDPZPBCOWYUQEB-VVFCZOMOSA-N 1 0 456.370 3.621 20 0 JHADRO C[C@H](C[N@H+](C)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1)NC(=O)OC(C)(C)C ZINC001308885924 1070454380 /nfs/dbraw/zinc/45/43/80/1070454380.db2.gz LQEYHBHGYKRSJH-QGZVFWFLSA-N 1 0 452.596 3.682 20 0 JHADRO CC(=O)N(c1nc(CN2CCC(C)([NH+]3CCOCC3)CC2)cs1)c1ccc(F)cc1F ZINC001308894488 1070455787 /nfs/dbraw/zinc/45/57/87/1070455787.db2.gz FOEWNIIZQGVZFY-UHFFFAOYSA-N 1 0 450.555 3.793 20 0 JHADRO C[C@@H]1C[C@@H](C[NH+]2CCC(N(CCO)C(=O)OC(C)(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001308894472 1070455868 /nfs/dbraw/zinc/45/58/68/1070455868.db2.gz FEZLYUYOEWOOAK-MOPGFXCFSA-N 1 0 455.640 3.716 20 0 JHADRO C[C@H]1C[C@H](C[NH+]2CCC(N(CCO)C(=O)OC(C)(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001308894474 1070455942 /nfs/dbraw/zinc/45/59/42/1070455942.db2.gz FEZLYUYOEWOOAK-RBUKOAKNSA-N 1 0 455.640 3.716 20 0 JHADRO C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)O1 ZINC001308913764 1070459098 /nfs/dbraw/zinc/45/90/98/1070459098.db2.gz FCEFXBVPBUYTRG-UNIVCBNLSA-N 1 0 459.631 3.724 20 0 JHADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCN(CC)C1=O ZINC001308949431 1070464610 /nfs/dbraw/zinc/46/46/10/1070464610.db2.gz QHVJAKOVHYJTHH-QFBILLFUSA-N 1 0 457.596 3.909 20 0 JHADRO Cn1c(C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)cc(=O)n1-c1ccccc1 ZINC001308967034 1070468571 /nfs/dbraw/zinc/46/85/71/1070468571.db2.gz INUHPGJTOMOXCI-SIKLNZKXSA-N 1 0 455.400 3.864 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001313473036 1070469364 /nfs/dbraw/zinc/46/93/64/1070469364.db2.gz XJZCFGGIVJFKLW-NRFANRHFSA-N 1 0 458.695 3.875 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+][C@H]3CCN(c4cn[nH]c(=O)c4Cl)C3)CC[C@H]21 ZINC001308973211 1070469523 /nfs/dbraw/zinc/46/95/23/1070469523.db2.gz UXXDRTFGQDFDHG-WCXIOVBPSA-N 1 0 451.999 3.572 20 0 JHADRO COCCc1ccc(OC[C@@H](C)[NH2+][C@@H](CO)c2ccccc2I)cc1 ZINC001308972683 1070469587 /nfs/dbraw/zinc/46/95/87/1070469587.db2.gz QUTOHAAHDZMHET-QRWLVFNGSA-N 1 0 455.336 3.571 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001314511460 1070470506 /nfs/dbraw/zinc/47/05/06/1070470506.db2.gz RSJCEQVIMAKJIK-UHFFFAOYSA-N 1 0 487.714 3.731 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001313474345 1070472067 /nfs/dbraw/zinc/47/20/67/1070472067.db2.gz FUAMZQFXANVHMD-UHFFFAOYSA-N 1 0 471.049 3.527 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313474782 1070473195 /nfs/dbraw/zinc/47/31/95/1070473195.db2.gz LTGQOGHYNPKIDL-SZPZYZBQSA-N 1 0 495.716 3.763 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001313478390 1070488589 /nfs/dbraw/zinc/48/85/89/1070488589.db2.gz XORCBSFXTUBFPO-KSEOMHKRSA-N 1 0 476.710 3.670 20 0 JHADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC001309025679 1070492096 /nfs/dbraw/zinc/49/20/96/1070492096.db2.gz WPVMHAQUBAWFSY-UHFFFAOYSA-N 1 0 457.365 3.671 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314517133 1070493902 /nfs/dbraw/zinc/49/39/02/1070493902.db2.gz LMIZSNWUBQFVAB-RTOMLYRKSA-N 1 0 497.750 3.577 20 0 JHADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001309043639 1070503860 /nfs/dbraw/zinc/50/38/60/1070503860.db2.gz OHMRYFXKGYINOG-UHFFFAOYSA-N 1 0 450.988 3.837 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001313488414 1070506881 /nfs/dbraw/zinc/50/68/81/1070506881.db2.gz NHXZFRYIEUQWDQ-HSZRJFAPSA-N 1 0 466.674 3.982 20 0 JHADRO 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CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+](C)C)n1 ZINC001314577343 1070586522 /nfs/dbraw/zinc/58/65/22/1070586522.db2.gz PDDHSHQDNUWNTC-KBPBESRZSA-N 1 0 465.027 3.777 20 0 JHADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC001309182901 1070589547 /nfs/dbraw/zinc/58/95/47/1070589547.db2.gz HPGQRQGHBPAGKT-MAUKXSAKSA-N 1 0 458.049 3.879 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001313526047 1070599995 /nfs/dbraw/zinc/59/99/95/1070599995.db2.gz HKYPNXQWCBIIDI-QHCPKHFHSA-N 1 0 455.647 3.886 20 0 JHADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1Cl ZINC001309203258 1070604622 /nfs/dbraw/zinc/60/46/22/1070604622.db2.gz WCEDXVMIGPJSOG-WMZOPIPTSA-N 1 0 450.988 3.800 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)n1 ZINC001314585587 1070606098 /nfs/dbraw/zinc/60/60/98/1070606098.db2.gz YZEBRDVTLVRQNX-ZWKOTPCHSA-N 1 0 477.679 3.880 20 0 JHADRO 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CN(Cc1cccc(O)c1)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309223407 1070624131 /nfs/dbraw/zinc/62/41/31/1070624131.db2.gz KAXDZMTZMGUMLA-LOSJGSFVSA-N 1 0 454.567 3.961 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314593313 1070628109 /nfs/dbraw/zinc/62/81/09/1070628109.db2.gz GODYFXLCSSAOEF-VIYGXFRKSA-N 1 0 465.708 3.780 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(-c3cccc(C)n3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001314596131 1070636537 /nfs/dbraw/zinc/63/65/37/1070636537.db2.gz OBKJPQUAKDVTID-FQEVSTJZSA-N 1 0 458.676 3.871 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001314596988 1070639817 /nfs/dbraw/zinc/63/98/17/1070639817.db2.gz IDDXLPOSAMMLCH-LEWJYISDSA-N 1 0 462.708 3.891 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccccn3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001314599943 1070648678 /nfs/dbraw/zinc/64/86/78/1070648678.db2.gz OJNDIZLZCHDDAM-YPAWHYETSA-N 1 0 471.719 3.724 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001313545065 1070647850 /nfs/dbraw/zinc/64/78/50/1070647850.db2.gz SGRAIHGTDCXPKA-FQEVSTJZSA-N 1 0 498.676 3.693 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001314601072 1070650098 /nfs/dbraw/zinc/65/00/98/1070650098.db2.gz QBPSSPDEGGLKDH-VXKWHMMOSA-N 1 0 470.687 3.929 20 0 JHADRO CC(C)COc1ccc(S(=O)(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC001309259990 1070651714 /nfs/dbraw/zinc/65/17/14/1070651714.db2.gz QIAZAMICCYABLK-UHFFFAOYSA-N 1 0 451.677 3.538 20 0 JHADRO CC(C)C(=O)Nc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC001309257782 1070650366 /nfs/dbraw/zinc/65/03/66/1070650366.db2.gz SANZSEHEWVNXOV-RUZDIDTESA-N 1 0 455.624 3.958 20 0 JHADRO C[C@@H](CCNS(=O)(=O)c1cc(Br)cc2c1OCC2)[N@H+](C)Cc1ccccc1 ZINC001309268348 1070657666 /nfs/dbraw/zinc/65/76/66/1070657666.db2.gz BJVGZLNGVLIWKL-HNNXBMFYSA-N 1 0 453.402 3.573 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2CC2([NH+](C)C)CCC2)C1 ZINC001314608488 1070669005 /nfs/dbraw/zinc/66/90/05/1070669005.db2.gz SKGQPRGLPFOBPF-GOSISDBHSA-N 1 0 476.716 3.866 20 0 JHADRO CCN(C)C(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313558470 1070676465 /nfs/dbraw/zinc/67/64/65/1070676465.db2.gz SVSSDJUMPOVGCF-UHFFFAOYSA-N 1 0 488.702 3.616 20 0 JHADRO CCN(C)C(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001313559126 1070677949 /nfs/dbraw/zinc/67/79/49/1070677949.db2.gz XMTOHHMTTMNYQZ-UHFFFAOYSA-N 1 0 482.673 3.832 20 0 JHADRO CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001313560336 1070678475 /nfs/dbraw/zinc/67/84/75/1070678475.db2.gz GPCPLZOPAPPELN-MJGOQNOKSA-N 1 0 458.676 3.530 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)C)nnc2N2CCC(CC(=O)N(C)C)CC2)c1 ZINC001313572772 1070686716 /nfs/dbraw/zinc/68/67/16/1070686716.db2.gz BMSDESMULGVYBK-UHFFFAOYSA-N 1 0 454.663 3.671 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(Cc3ccsc3)nnc2N(C)CC(=O)NC(C)(C)C)c1 ZINC001313574052 1070688890 /nfs/dbraw/zinc/68/88/90/1070688890.db2.gz JLVMIPYUDRNGOS-UHFFFAOYSA-N 1 0 468.671 3.781 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)O[C@H](COC)C2)c1 ZINC001313574738 1070689892 /nfs/dbraw/zinc/68/98/92/1070689892.db2.gz LOYKMNCZVJOTRJ-MNPDLOSFSA-N 1 0 499.700 3.937 20 0 JHADRO CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313580851 1070700335 /nfs/dbraw/zinc/70/03/35/1070700335.db2.gz YJBZFZBDHSEDQU-MJGOQNOKSA-N 1 0 498.093 3.673 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(CC(C)C)n3Cc3cccc(C[N@H+](C)CC)c3)CCO2)cn1 ZINC001313575884 1070691993 /nfs/dbraw/zinc/69/19/93/1070691993.db2.gz VLDKYMMEZJQMRY-DEOSSOPVSA-N 1 0 465.646 3.771 20 0 JHADRO CCSCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001314618926 1070693233 /nfs/dbraw/zinc/69/32/33/1070693233.db2.gz BRBAUAAJNSMLMG-BHDDXSALSA-N 1 0 478.751 3.556 20 0 JHADRO CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CC[N@H+](C)C1)[C@@H](C)C1CCC1 ZINC001313581360 1070701571 /nfs/dbraw/zinc/70/15/71/1070701571.db2.gz HHIAJDGCLWWBPG-HJPURHCSSA-N 1 0 492.462 3.798 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[N@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313588565 1070716042 /nfs/dbraw/zinc/71/60/42/1070716042.db2.gz WJDFVQLVWRREBF-KRWDZBQOSA-N 1 0 488.485 3.996 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314627164 1070718827 /nfs/dbraw/zinc/71/88/27/1070718827.db2.gz YTQJIIAITVERRJ-JOCHJYFZSA-N 1 0 497.688 3.832 20 0 JHADRO C[C@H]1C[NH+](CCOc2ccc(CCNS(=O)(=O)c3cc(Cl)ccc3F)cc2)C[C@@H]1C ZINC001309355995 1070718928 /nfs/dbraw/zinc/71/89/28/1070718928.db2.gz LHJXQBHZJIHUNZ-IRXDYDNUSA-N 1 0 454.995 3.967 20 0 JHADRO C[C@H]1C[NH+](CCOc2ccc(CCNS(=O)(=O)CC3Cc4ccccc4C3)cc2)C[C@@H]1C ZINC001309358262 1070720613 /nfs/dbraw/zinc/72/06/13/1070720613.db2.gz WUMWLEOKOZKUMZ-SFTDATJTSA-N 1 0 456.652 3.530 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N2CC[C@@H](c3cccc(F)c3)C2)nnc1C(C)(C)C ZINC001314627937 1070722269 /nfs/dbraw/zinc/72/22/69/1070722269.db2.gz FLUVTQCGEWDNHP-IFMALSPDSA-N 1 0 470.637 3.651 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001314630378 1070730712 /nfs/dbraw/zinc/73/07/12/1070730712.db2.gz YDAPHQGCYNDZSZ-NRFANRHFSA-N 1 0 470.021 3.506 20 0 JHADRO CN(C)C(=O)CCCn1c(CCCc2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001314631060 1070731784 /nfs/dbraw/zinc/73/17/84/1070731784.db2.gz LTMSDQFVXJATHL-UHFFFAOYSA-N 1 0 466.674 3.777 20 0 JHADRO CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(Br)cc(OC)c1 ZINC001309377718 1070733565 /nfs/dbraw/zinc/73/35/65/1070733565.db2.gz QISLAMXWQXLEGU-SFHVURJKSA-N 1 0 453.402 3.743 20 0 JHADRO CN(C)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314632618 1070736052 /nfs/dbraw/zinc/73/60/52/1070736052.db2.gz XQBHFAXHIODKCD-OAQYLSRUSA-N 1 0 482.032 3.573 20 0 JHADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)C1 ZINC001309390478 1070740693 /nfs/dbraw/zinc/74/06/93/1070740693.db2.gz GGDBITYJQZEUMK-AWEZNQCLSA-N 1 0 457.365 3.953 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccsc1 ZINC001314646467 1070746940 /nfs/dbraw/zinc/74/69/40/1070746940.db2.gz CJYNUHSTPMVCKI-FDDCHVKYSA-N 1 0 490.580 3.613 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1)C1CC1 ZINC001314647027 1070748066 /nfs/dbraw/zinc/74/80/66/1070748066.db2.gz JPLRMNOFNKWWKB-DLBZAZTESA-N 1 0 475.462 3.654 20 0 JHADRO CN(C)C(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001314647000 1070748192 /nfs/dbraw/zinc/74/81/92/1070748192.db2.gz IWCUEBSJATWLCV-UHFFFAOYSA-N 1 0 455.651 3.929 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(F)(F)CC1)c1cccs1 ZINC001314647313 1070749559 /nfs/dbraw/zinc/74/95/59/1070749559.db2.gz QPOBJWLOPJSSDA-HNNXBMFYSA-N 1 0 461.542 3.525 20 0 JHADRO CN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CCSC1 ZINC001314647111 1070748619 /nfs/dbraw/zinc/74/86/19/1070748619.db2.gz LHCHLOCUWVSIEJ-RBBKRZOGSA-N 1 0 491.727 3.801 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001314649020 1070753649 /nfs/dbraw/zinc/75/36/49/1070753649.db2.gz KRDHQNRNEKCJAT-FGZHOGPDSA-N 1 0 483.661 3.954 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1)c1ccc(F)cc1 ZINC001314649718 1070756993 /nfs/dbraw/zinc/75/69/93/1070756993.db2.gz DJSOYCMAXUMMSL-LEWJYISDSA-N 1 0 456.610 3.510 20 0 JHADRO CCN(CC(C)C)c1nnc(Cc2ccncc2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001313631094 1070761620 /nfs/dbraw/zinc/76/16/20/1070761620.db2.gz IYHHXFLOCLFTJP-UHFFFAOYSA-N 1 0 462.642 3.751 20 0 JHADRO CCN(CC(C)C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001313630585 1070761777 /nfs/dbraw/zinc/76/17/77/1070761777.db2.gz LGDNLKDIEAOLQU-DNQXCXABSA-N 1 0 455.647 3.659 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001313631724 1070762696 /nfs/dbraw/zinc/76/26/96/1070762696.db2.gz XZQAPZZDYBRAHC-UHFFFAOYSA-N 1 0 475.707 3.843 20 0 JHADRO CCN(CC(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001313632628 1070763413 /nfs/dbraw/zinc/76/34/13/1070763413.db2.gz ZZCIISJSRLTYAM-QFIPXVFZSA-N 1 0 461.676 3.551 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1)c1ccsc1 ZINC001314654380 1070768766 /nfs/dbraw/zinc/76/87/66/1070768766.db2.gz GMKQQNHVBNPOOB-NRFANRHFSA-N 1 0 481.670 3.589 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC(N)=O)CC1)c1cccs1 ZINC001314654652 1070769740 /nfs/dbraw/zinc/76/97/40/1070769740.db2.gz VPDBBPDMNCZERP-XQBPLPMBSA-N 1 0 488.702 3.653 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccco1 ZINC001314654741 1070770296 /nfs/dbraw/zinc/77/02/96/1070770296.db2.gz LNZMQWDLIXUONS-ICSRJNTNSA-N 1 0 479.503 3.563 20 0 JHADRO CCN(CC)C(=O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC001313635476 1070770777 /nfs/dbraw/zinc/77/07/77/1070770777.db2.gz GOSBXUOOSADKMN-QHCPKHFHSA-N 1 0 496.700 3.556 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC001314655431 1070771590 /nfs/dbraw/zinc/77/15/90/1070771590.db2.gz KPODBKCMRCKETK-RBBKRZOGSA-N 1 0 473.065 3.735 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314655041 1070771602 /nfs/dbraw/zinc/77/16/02/1070771602.db2.gz ZNOPOZQLCMLUKA-PCCBWWKXSA-N 1 0 488.608 3.675 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccco1 ZINC001314655513 1070772642 /nfs/dbraw/zinc/77/26/42/1070772642.db2.gz MATANPPDCJAZBR-GOSISDBHSA-N 1 0 499.484 3.937 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)c1ccc(F)cc1 ZINC001314655504 1070772893 /nfs/dbraw/zinc/77/28/93/1070772893.db2.gz LWICAFOPZVXXKU-FSSWDIPSSA-N 1 0 459.610 3.693 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)c1ccc(F)cc1 ZINC001314655503 1070772922 /nfs/dbraw/zinc/77/29/22/1070772922.db2.gz LWICAFOPZVXXKU-BHIFYINESA-N 1 0 459.610 3.693 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccco1 ZINC001314655463 1070772951 /nfs/dbraw/zinc/77/29/51/1070772951.db2.gz LFRMLVLTWBELOM-NRFANRHFSA-N 1 0 482.604 3.599 20 0 JHADRO CCN(CC)C(=O)c1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001313636621 1070773368 /nfs/dbraw/zinc/77/33/68/1070773368.db2.gz RGSNYZTVMYYXCB-UHFFFAOYSA-N 1 0 477.657 3.734 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1cccs1 ZINC001314655781 1070773397 /nfs/dbraw/zinc/77/33/97/1070773397.db2.gz NEPQUHWWUVIGNQ-FQEVSTJZSA-N 1 0 497.669 3.685 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2ccccc2Br)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313637155 1070775103 /nfs/dbraw/zinc/77/51/03/1070775103.db2.gz NOCNRNTUNMXXNH-SFHVURJKSA-N 1 0 491.478 3.887 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)CCSC1 ZINC001314658171 1070778237 /nfs/dbraw/zinc/77/82/37/1070778237.db2.gz TYFSHYIMARZODA-NRFANRHFSA-N 1 0 486.469 3.828 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001313639030 1070780110 /nfs/dbraw/zinc/78/01/10/1070780110.db2.gz XEYKWCISUCSHQS-UHFFFAOYSA-N 1 0 456.635 3.950 20 0 JHADRO C[NH+](C)C1(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CCC1 ZINC001314659389 1070781768 /nfs/dbraw/zinc/78/17/68/1070781768.db2.gz NMIHMXQETACJGP-HXUWFJFHSA-N 1 0 471.625 3.891 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](Cc3ccccc3)C2)CCSC1 ZINC001314659841 1070782679 /nfs/dbraw/zinc/78/26/79/1070782679.db2.gz QUVYRMFGLDTDQJ-BWKNWUBXSA-N 1 0 457.688 3.752 20 0 JHADRO C[NH+](C)C1(Cn2c(N3CCCN(C(=O)c4ccsc4)CC3)nnc2C(C)(C)C)CCCC1 ZINC001314659889 1070782769 /nfs/dbraw/zinc/78/27/69/1070782769.db2.gz JFHWPLPOZMEVNO-UHFFFAOYSA-N 1 0 458.676 3.864 20 0 JHADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001309467713 1070788668 /nfs/dbraw/zinc/78/86/68/1070788668.db2.gz KZKMCSHGJOZYHO-DOTOQJQBSA-N 1 0 456.486 3.899 20 0 JHADRO CN(c1ccccc1)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001314662367 1070788932 /nfs/dbraw/zinc/78/89/32/1070788932.db2.gz AHCDDWJQLYOHSB-UHFFFAOYSA-N 1 0 490.656 3.618 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001314662449 1070789370 /nfs/dbraw/zinc/78/93/70/1070789370.db2.gz DKDOIVTYVBKLSA-UHFFFAOYSA-N 1 0 457.026 3.694 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001314662437 1070789521 /nfs/dbraw/zinc/78/95/21/1070789521.db2.gz CSIOSNMIUNEJCS-UHFFFAOYSA-N 1 0 485.421 3.683 20 0 JHADRO O=S(=O)(NC[C@@H]1CCSC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309468598 1070789640 /nfs/dbraw/zinc/78/96/40/1070789640.db2.gz USZAFBHMTZOWHQ-YUXAGFNASA-N 1 0 451.057 3.981 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001314663345 1070791826 /nfs/dbraw/zinc/79/18/26/1070791826.db2.gz RRBCKXQHCOJYMY-UHFFFAOYSA-N 1 0 474.078 3.965 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001313641073 1070786605 /nfs/dbraw/zinc/78/66/05/1070786605.db2.gz RBSRNCAWFKMRAC-URXFXBBRSA-N 1 0 465.646 3.669 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001313643760 1070794934 /nfs/dbraw/zinc/79/49/34/1070794934.db2.gz FUBILMKNJZVXEN-HXUWFJFHSA-N 1 0 467.662 3.608 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001314665524 1070797317 /nfs/dbraw/zinc/79/73/17/1070797317.db2.gz JADMTUUJGPVJAK-UHFFFAOYSA-N 1 0 487.092 3.949 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001314666641 1070799712 /nfs/dbraw/zinc/79/97/12/1070799712.db2.gz UCUUCDPKWGLKFZ-HSALFYBXSA-N 1 0 478.682 3.642 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001314667746 1070802496 /nfs/dbraw/zinc/80/24/96/1070802496.db2.gz RNFWCXRNSVVQSZ-OAQYLSRUSA-N 1 0 489.064 3.723 20 0 JHADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001309488323 1070802838 /nfs/dbraw/zinc/80/28/38/1070802838.db2.gz IBHPWNJQMBPJHY-UHFFFAOYSA-N 1 0 456.439 3.573 20 0 JHADRO CN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCSC1 ZINC001314668277 1070803740 /nfs/dbraw/zinc/80/37/40/1070803740.db2.gz CNKRYUBNORYRCF-LJQANCHMSA-N 1 0 473.046 3.924 20 0 JHADRO Cn1cccc1-c1nnc(N2CC=C(C(F)(F)F)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001314668303 1070803771 /nfs/dbraw/zinc/80/37/71/1070803771.db2.gz DWBZXMIDYLEZKJ-UHFFFAOYSA-N 1 0 474.531 3.971 20 0 JHADRO COc1cc(C)c(S(=O)(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1C(C)C ZINC001309490090 1070805441 /nfs/dbraw/zinc/80/54/41/1070805441.db2.gz VQRQDIRINISQJQ-UHFFFAOYSA-N 1 0 459.656 3.565 20 0 JHADRO CCN(CC)C(=O)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001313645910 1070805678 /nfs/dbraw/zinc/80/56/78/1070805678.db2.gz SPYGMETUYUPFCT-ZZLPTCMGSA-N 1 0 474.694 3.518 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CC3)n2Cc2ccccc2OCC[NH+](C)C)C1 ZINC001314668888 1070805980 /nfs/dbraw/zinc/80/59/80/1070805980.db2.gz SEWGXIGUNVGUSD-NRFANRHFSA-N 1 0 484.645 3.590 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(CC(C)(C)C)n1Cc1ccccc1OCC[NH+](C)C ZINC001314668927 1070806241 /nfs/dbraw/zinc/80/62/41/1070806241.db2.gz SPNBXDQVCCSSTJ-UHFFFAOYSA-N 1 0 473.662 3.691 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)nnc1C(C)(C)C ZINC001314669219 1070807690 /nfs/dbraw/zinc/80/76/90/1070807690.db2.gz YCCSONQIKUEGOZ-NRFANRHFSA-N 1 0 498.716 3.943 20 0 JHADRO C[NH+](C)CCOCCn1c(CC2CCCC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001314670606 1070812107 /nfs/dbraw/zinc/81/21/07/1070812107.db2.gz CUXRWJFZGQFNFC-UHFFFAOYSA-N 1 0 483.583 3.646 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001314670788 1070812537 /nfs/dbraw/zinc/81/25/37/1070812537.db2.gz OEAGAEGPLKERFB-OAQYLSRUSA-N 1 0 454.015 3.649 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001314672200 1070817702 /nfs/dbraw/zinc/81/77/02/1070817702.db2.gz XTHQVOYVNYBMLL-UHFFFAOYSA-N 1 0 478.428 3.868 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001314672270 1070817778 /nfs/dbraw/zinc/81/77/78/1070817778.db2.gz YNAMPMXFNYIIGU-IBGZPJMESA-N 1 0 498.441 3.676 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC001314672824 1070818399 /nfs/dbraw/zinc/81/83/99/1070818399.db2.gz VHQIFKRQUIPGJB-UHFFFAOYSA-N 1 0 496.700 3.694 20 0 JHADRO C[NH+](C)CCOCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001314671799 1070815613 /nfs/dbraw/zinc/81/56/13/1070815613.db2.gz LDBUMBCZJGMZEU-JOCHJYFZSA-N 1 0 480.028 3.959 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(N3CC[C@@H](C4CCOCC4)C3)nnc2C(C)(C)C)cc1 ZINC001314672018 1070816611 /nfs/dbraw/zinc/81/66/11/1070816611.db2.gz OUNJKAJRAFZPRQ-JOCHJYFZSA-N 1 0 455.647 3.817 20 0 JHADRO C[NH+](C)CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001314673566 1070819465 /nfs/dbraw/zinc/81/94/65/1070819465.db2.gz SLPYZEHIFKYTIQ-IRLDBZIGSA-N 1 0 490.693 3.740 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001314676508 1070820720 /nfs/dbraw/zinc/82/07/20/1070820720.db2.gz IYKHYDZYWXYRJW-VXKWHMMOSA-N 1 0 473.687 3.501 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CCN1CCOCC1(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314677042 1070822733 /nfs/dbraw/zinc/82/27/33/1070822733.db2.gz OTXPBNJZGTVVTG-QHCPKHFHSA-N 1 0 468.690 3.787 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1Cc1ccc(C(C)(C)O)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC001314677706 1070824620 /nfs/dbraw/zinc/82/46/20/1070824620.db2.gz WKOCWRBGRYFCII-UHFFFAOYSA-N 1 0 479.673 3.649 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001313652246 1070828848 /nfs/dbraw/zinc/82/88/48/1070828848.db2.gz RECCTTQGDWKCJC-GOSISDBHSA-N 1 0 495.653 3.817 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001313653534 1070833598 /nfs/dbraw/zinc/83/35/98/1070833598.db2.gz RLLVQBWKTCWJGH-NRFANRHFSA-N 1 0 474.053 3.523 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001313655743 1070846854 /nfs/dbraw/zinc/84/68/54/1070846854.db2.gz WWPOQSKIUIRSRJ-DEOSSOPVSA-N 1 0 495.716 3.769 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cnccn2)CC1 ZINC001313655923 1070846996 /nfs/dbraw/zinc/84/69/96/1070846996.db2.gz AXVXNVXSOOLXKC-GGAORHGYSA-N 1 0 492.672 3.882 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001313655571 1070845019 /nfs/dbraw/zinc/84/50/19/1070845019.db2.gz PMNMBOAWPAJCES-XMMPIXPASA-N 1 0 495.716 3.768 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001313656006 1070847989 /nfs/dbraw/zinc/84/79/89/1070847989.db2.gz CMZGLUQAQBWAEY-INIZCTEOSA-N 1 0 489.466 3.884 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cnccn2)CC1 ZINC001313656029 1070848316 /nfs/dbraw/zinc/84/83/16/1070848316.db2.gz CVPVHIQPWWFDIH-WOJBJXKFSA-N 1 0 499.063 3.918 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001313656424 1070850561 /nfs/dbraw/zinc/85/05/61/1070850561.db2.gz IXPDVBVHYVCUAL-VQTJNVASSA-N 1 0 481.645 3.810 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001313657350 1070855301 /nfs/dbraw/zinc/85/53/01/1070855301.db2.gz QFFRGAUUTOSYLT-MSOLQXFVSA-N 1 0 468.577 3.951 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2nccnc2C)CC1 ZINC001313657519 1070855327 /nfs/dbraw/zinc/85/53/27/1070855327.db2.gz MSRGIPJTCYCJPG-SFHVURJKSA-N 1 0 499.063 3.762 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001313656761 1070851913 /nfs/dbraw/zinc/85/19/13/1070851913.db2.gz LFXFMIGJEJDSCA-OPYAIIAOSA-N 1 0 498.093 3.815 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001313657317 1070855578 /nfs/dbraw/zinc/85/55/78/1070855578.db2.gz LGPJRPNUEPSCTI-LJQANCHMSA-N 1 0 456.635 3.806 20 0 JHADRO CN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCCC1)C1CCCCC1 ZINC001314692856 1070853528 /nfs/dbraw/zinc/85/35/28/1070853528.db2.gz DGBMRBGRGZFYLO-NRFANRHFSA-N 1 0 476.666 3.841 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313657000 1070854198 /nfs/dbraw/zinc/85/41/98/1070854198.db2.gz NIILFBGPUVQTDY-NRSPTQNISA-N 1 0 457.619 3.765 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001313659847 1070863610 /nfs/dbraw/zinc/86/36/10/1070863610.db2.gz LROHNMPYQGEAEM-NQIIRXRSSA-N 1 0 483.617 3.768 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001313657893 1070857443 /nfs/dbraw/zinc/85/74/43/1070857443.db2.gz PGWBPZCFHIOVJN-UGKGYDQZSA-N 1 0 452.647 3.784 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001313659730 1070863664 /nfs/dbraw/zinc/86/36/64/1070863664.db2.gz LCRJUOXEUOJQEU-VXKWHMMOSA-N 1 0 477.657 3.660 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001313657997 1070858356 /nfs/dbraw/zinc/85/83/56/1070858356.db2.gz AUSMRVRNYUQABF-KXBFYZLASA-N 1 0 459.982 3.598 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001313658004 1070858546 /nfs/dbraw/zinc/85/85/46/1070858546.db2.gz AWJRHMWTBDFVLL-VGSWGCGISA-N 1 0 456.541 3.927 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC001313658290 1070858896 /nfs/dbraw/zinc/85/88/96/1070858896.db2.gz CIPFAQWVKPDSPH-MOPGFXCFSA-N 1 0 455.582 3.596 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001313659296 1070862099 /nfs/dbraw/zinc/86/20/99/1070862099.db2.gz XVDGROYUOGQWSZ-CQSZACIVSA-N 1 0 463.508 3.948 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001313659349 1070862441 /nfs/dbraw/zinc/86/24/41/1070862441.db2.gz IZTIYYFMVZZXCD-IRXDYDNUSA-N 1 0 456.532 3.887 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Br)cs1 ZINC001313660178 1070865230 /nfs/dbraw/zinc/86/52/30/1070865230.db2.gz PEEBTOXBDYSPPY-AWEZNQCLSA-N 1 0 466.453 3.869 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001313660447 1070865754 /nfs/dbraw/zinc/86/57/54/1070865754.db2.gz QMGHNJFJRANMOD-FPOVZHCZSA-N 1 0 481.645 3.810 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313660581 1070866242 /nfs/dbraw/zinc/86/62/42/1070866242.db2.gz SYYFUMNNOXOGBM-AQNXPRMDSA-N 1 0 473.666 3.753 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC001313660766 1070867156 /nfs/dbraw/zinc/86/71/56/1070867156.db2.gz VJTCNZXELYYSBW-NRFANRHFSA-N 1 0 495.672 3.748 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001313661804 1070869325 /nfs/dbraw/zinc/86/93/25/1070869325.db2.gz ZXSJFKIDOLUCEZ-HXUWFJFHSA-N 1 0 465.646 3.911 20 0 JHADRO CN(c1nnc(CN2CCCC2=O)n1CCSC(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314702568 1070870064 /nfs/dbraw/zinc/87/00/64/1070870064.db2.gz NYDCUKHNPYSBJO-LJQANCHMSA-N 1 0 496.603 3.754 20 0 JHADRO COCC1(CNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CCCC1 ZINC001309586805 1070871451 /nfs/dbraw/zinc/87/14/51/1070871451.db2.gz IEBLRJQBCGQFCB-BJKOFHAPSA-N 1 0 460.615 3.920 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001313665604 1070880758 /nfs/dbraw/zinc/88/07/58/1070880758.db2.gz FZTPQJRUPAMFNY-AVRDEDQJSA-N 1 0 453.610 3.986 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001313663917 1070874906 /nfs/dbraw/zinc/87/49/06/1070874906.db2.gz LGVNOSDMRHPLDZ-DENIHFKCSA-N 1 0 471.646 3.525 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1)c1ccco1 ZINC001313664061 1070875129 /nfs/dbraw/zinc/87/51/29/1070875129.db2.gz KMHKDKMDCNERRN-QHCPKHFHSA-N 1 0 499.704 3.602 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001313664314 1070875758 /nfs/dbraw/zinc/87/57/58/1070875758.db2.gz APWFEZJITPFHAN-SFLYRZDNSA-N 1 0 455.647 3.808 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001313664351 1070876402 /nfs/dbraw/zinc/87/64/02/1070876402.db2.gz AZPYQSTUYDOUHQ-QFQXNSOFSA-N 1 0 471.646 3.670 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313664428 1070876726 /nfs/dbraw/zinc/87/67/26/1070876726.db2.gz NDYKGTCXAKQSLH-WOIUINJBSA-N 1 0 477.675 3.851 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2c[nH]c3ccccc23)n1CCC[NH+]1CCCCC1 ZINC001314707053 1070877184 /nfs/dbraw/zinc/87/71/84/1070877184.db2.gz FBYWIUPLZGSLEL-UHFFFAOYSA-N 1 0 451.619 3.653 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1)c1ccco1 ZINC001313664639 1070877179 /nfs/dbraw/zinc/87/71/79/1070877179.db2.gz NNLUKHWSQKUCSH-OAQYLSRUSA-N 1 0 455.607 3.696 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[NH+]1CCCCC1 ZINC001314707396 1070878471 /nfs/dbraw/zinc/87/84/71/1070878471.db2.gz QONLDRUZMFMWAI-UHFFFAOYSA-N 1 0 494.640 3.954 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCCCC1 ZINC001314707753 1070879043 /nfs/dbraw/zinc/87/90/43/1070879043.db2.gz CSAAKCSIKQHGDO-UHFFFAOYSA-N 1 0 484.689 3.991 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001314708054 1070880161 /nfs/dbraw/zinc/88/01/61/1070880161.db2.gz FHMLSHYJYZJEOR-UEXGIBASSA-N 1 0 474.675 3.625 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(OC(C)C)CC1 ZINC001313665806 1070881885 /nfs/dbraw/zinc/88/18/85/1070881885.db2.gz RRSHJSODYIUTKI-OAQYLSRUSA-N 1 0 484.693 3.576 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001313666121 1070882616 /nfs/dbraw/zinc/88/26/16/1070882616.db2.gz HRWBFFZOQHCAII-FJIJXJHWSA-N 1 0 455.647 3.808 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001313667418 1070889652 /nfs/dbraw/zinc/88/96/52/1070889652.db2.gz XYBJBSHRBIQDGH-QHAWAJNXSA-N 1 0 460.692 3.847 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H]1C(C)C ZINC001313666314 1070884047 /nfs/dbraw/zinc/88/40/47/1070884047.db2.gz SVASOCZYJVYYOM-IRLDBZIGSA-N 1 0 454.667 3.807 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001313666680 1070884962 /nfs/dbraw/zinc/88/49/62/1070884962.db2.gz IGCLWYZAGBVWQQ-IBGZPJMESA-N 1 0 465.621 3.762 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001313667821 1070890217 /nfs/dbraw/zinc/89/02/17/1070890217.db2.gz NGBUABXWFWJXOO-HXUWFJFHSA-N 1 0 466.596 3.868 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001313667533 1070889132 /nfs/dbraw/zinc/88/91/32/1070889132.db2.gz KMZGVCYBMIDIOS-LJQANCHMSA-N 1 0 484.645 3.762 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001314711179 1070890788 /nfs/dbraw/zinc/89/07/88/1070890788.db2.gz XQLHCKQPOVZCLW-BJKOFHAPSA-N 1 0 496.700 3.825 20 0 JHADRO CN(CC(C)(C)C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314711158 1070890971 /nfs/dbraw/zinc/89/09/71/1070890971.db2.gz MYSSSXAMPOHAGY-HXUWFJFHSA-N 1 0 465.631 3.768 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(OC(C)C)CC1)c1ccco1 ZINC001313670878 1070899014 /nfs/dbraw/zinc/89/90/14/1070899014.db2.gz DKDIWZGUUICABH-OAQYLSRUSA-N 1 0 455.607 3.749 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313671203 1070899194 /nfs/dbraw/zinc/89/91/94/1070899194.db2.gz OSEKOLVUQUGSJD-ICSRJNTNSA-N 1 0 474.625 3.842 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001313668893 1070893517 /nfs/dbraw/zinc/89/35/17/1070893517.db2.gz SIWZFPBEWWFWJC-XJABCFGWSA-N 1 0 462.038 3.949 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001313669521 1070894768 /nfs/dbraw/zinc/89/47/68/1070894768.db2.gz DFMBUZNEYLULRG-WIYYLYMNSA-N 1 0 467.618 3.683 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(Cc2ccncc2)n1CC1([NH+](C)C)CCCCC1 ZINC001314712047 1070894801 /nfs/dbraw/zinc/89/48/01/1070894801.db2.gz OTLBWAPXDDNHTR-UHFFFAOYSA-N 1 0 497.594 3.882 20 0 JHADRO CN(CC(F)(F)F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001314712185 1070895148 /nfs/dbraw/zinc/89/51/48/1070895148.db2.gz HIQMSYOLPIPYDX-FQEVSTJZSA-N 1 0 478.563 3.815 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001314718038 1070909443 /nfs/dbraw/zinc/90/94/43/1070909443.db2.gz WHIAVRWCIHCJGB-WMLDXEAASA-N 1 0 451.522 3.878 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCOC(C)(C)[C@@H]1C)c1ccsc1 ZINC001313671750 1070901051 /nfs/dbraw/zinc/90/10/51/1070901051.db2.gz KVTAIILORKODAC-PXNSSMCTSA-N 1 0 457.648 3.827 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313672348 1070903142 /nfs/dbraw/zinc/90/31/42/1070903142.db2.gz VUGBBFBFORYQOE-RBUKOAKNSA-N 1 0 482.595 3.681 20 0 JHADRO CN(CC(C)(C)C)c1nnc(Cc2ccccn2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001314714208 1070903259 /nfs/dbraw/zinc/90/32/59/1070903259.db2.gz WUUPRRBYMADIKQ-UHFFFAOYSA-N 1 0 462.642 3.751 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccco1 ZINC001313672440 1070903786 /nfs/dbraw/zinc/90/37/86/1070903786.db2.gz OCNUEFGTATXAFJ-SBOSXTITSA-N 1 0 486.661 3.732 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@H](COC)C1)c1ccsc1 ZINC001313672668 1070905134 /nfs/dbraw/zinc/90/51/34/1070905134.db2.gz AFJPFXVJUXJDIC-GFOJFJKKSA-N 1 0 463.648 3.514 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccco1 ZINC001313674040 1070910056 /nfs/dbraw/zinc/91/00/56/1070910056.db2.gz HVVDMWCHKGZLFN-RXFWQSSRSA-N 1 0 486.661 3.718 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(CC(N)=O)CC1)c1ccco1 ZINC001313674165 1070910444 /nfs/dbraw/zinc/91/04/44/1070910444.db2.gz NFMFNQLZZJJYGO-OAQYLSRUSA-N 1 0 450.587 3.713 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCCN(C(C)=O)CC1)c1ccco1 ZINC001313674461 1070912085 /nfs/dbraw/zinc/91/20/85/1070912085.db2.gz JVYKDDHXNBLKAT-QFIPXVFZSA-N 1 0 456.635 3.746 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(CC)C1)c1ccco1 ZINC001313676110 1070919410 /nfs/dbraw/zinc/91/94/10/1070919410.db2.gz CGEDSKICTTZKNV-OFVILXPXSA-N 1 0 452.603 3.945 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCS[C@H](C)[C@H]1C)c1ccsc1 ZINC001313674878 1070913668 /nfs/dbraw/zinc/91/36/68/1070913668.db2.gz MASCRVYXFAJGNB-QWFCFKBJSA-N 1 0 476.716 3.875 20 0 JHADRO CN(Cc1c(F)cccc1Cl)c1nnc(-c2cccn2C)n1CCC[NH+]1CCC(O)CC1 ZINC001314719917 1070913625 /nfs/dbraw/zinc/91/36/25/1070913625.db2.gz NPUPMZXAKIGTCD-UHFFFAOYSA-N 1 0 460.985 3.559 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(CC)C1)c1ccco1 ZINC001313676111 1070919572 /nfs/dbraw/zinc/91/95/72/1070919572.db2.gz CGEDSKICTTZKNV-PXDATVDWSA-N 1 0 452.603 3.945 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCNC(=O)C1)c1ccsc1 ZINC001313675402 1070915502 /nfs/dbraw/zinc/91/55/02/1070915502.db2.gz TZWPWDZCQBXFCF-LJQANCHMSA-N 1 0 489.045 3.688 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)C)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1)c1ccco1 ZINC001313676181 1070919680 /nfs/dbraw/zinc/91/96/80/1070919680.db2.gz DBZMWZBLDAEUKJ-NBGIEHNGSA-N 1 0 459.635 3.927 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCCCC1 ZINC001314722024 1070919932 /nfs/dbraw/zinc/91/99/32/1070919932.db2.gz DQAHZSUXMGXLQF-GOSISDBHSA-N 1 0 464.536 3.547 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)F)CC1)c1ccsc1 ZINC001313677131 1070924447 /nfs/dbraw/zinc/92/44/47/1070924447.db2.gz ICBZJTKIPFDGBJ-ICSRJNTNSA-N 1 0 482.645 3.704 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314725479 1070929997 /nfs/dbraw/zinc/92/99/97/1070929997.db2.gz MTONRYWUVXBXGU-ZBFHGGJFSA-N 1 0 464.364 3.670 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccccc1 ZINC001313681314 1070940393 /nfs/dbraw/zinc/94/03/93/1070940393.db2.gz VHDKFJAXISSNOD-QHCPKHFHSA-N 1 0 452.647 3.618 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1)c1ccccc1 ZINC001313681556 1070941327 /nfs/dbraw/zinc/94/13/27/1070941327.db2.gz XENIMWTXSFCIBN-FCHUYYIVSA-N 1 0 467.618 3.829 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc(-c2ccc[nH]2)n1CCC[NH+]1CCC(O)CC1 ZINC001314728437 1070941517 /nfs/dbraw/zinc/94/15/17/1070941517.db2.gz ZSWVXBXSNPMRFI-UHFFFAOYSA-N 1 0 473.419 3.519 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCCCC1 ZINC001314730505 1070947862 /nfs/dbraw/zinc/94/78/62/1070947862.db2.gz YXMKPVJQJDWFLX-MRXNPFEDSA-N 1 0 495.491 3.954 20 0 JHADRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)CC1 ZINC001309745320 1070949890 /nfs/dbraw/zinc/94/98/90/1070949890.db2.gz UOIOWKXPMQSVNZ-UHFFFAOYSA-N 1 0 454.434 3.970 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCCOC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314731564 1070950525 /nfs/dbraw/zinc/95/05/25/1070950525.db2.gz NXKAYWSOEKKAOF-FOIQADDNSA-N 1 0 456.081 3.961 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001313691285 1070950675 /nfs/dbraw/zinc/95/06/75/1070950675.db2.gz GNXJZZNFAGXXAL-UHFFFAOYSA-N 1 0 475.707 3.724 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)CCCS2)CC1 ZINC001313691328 1070950846 /nfs/dbraw/zinc/95/08/46/1070950846.db2.gz IUQHOKQNLIPMAT-HSZRJFAPSA-N 1 0 457.648 3.522 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001313691474 1070951271 /nfs/dbraw/zinc/95/12/71/1070951271.db2.gz NEEZPSBKJWDUIJ-BERHBOFZSA-N 1 0 485.673 3.885 20 0 JHADRO CN(Cc1ccc(F)c(F)c1)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCCCCC1 ZINC001314732230 1070953043 /nfs/dbraw/zinc/95/30/43/1070953043.db2.gz AWDMNSUFHRPRHI-UHFFFAOYSA-N 1 0 469.540 3.716 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001313692809 1070953515 /nfs/dbraw/zinc/95/35/15/1070953515.db2.gz BMKGLCFESCLFKW-UHFFFAOYSA-N 1 0 452.647 3.729 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cc(C)on2)CC1 ZINC001313693207 1070953993 /nfs/dbraw/zinc/95/39/93/1070953993.db2.gz ASXFJEZZIOFMIL-UHFFFAOYSA-N 1 0 454.575 3.618 20 0 JHADRO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001309755221 1070955129 /nfs/dbraw/zinc/95/51/29/1070955129.db2.gz WVVCIEMUONVRKZ-RBBKRZOGSA-N 1 0 457.640 3.605 20 0 JHADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1Cl ZINC001309755438 1070955160 /nfs/dbraw/zinc/95/51/60/1070955160.db2.gz SPEUMMCORJYHIZ-DOTOQJQBSA-N 1 0 451.976 3.565 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cnccc2OC)CC1 ZINC001313693734 1070955296 /nfs/dbraw/zinc/95/52/96/1070955296.db2.gz FQWGJPSNLWBTCG-UHFFFAOYSA-N 1 0 450.587 3.716 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(OC)nc2)CC1 ZINC001313694626 1070957242 /nfs/dbraw/zinc/95/72/42/1070957242.db2.gz WHWVBTHEAFZJBW-UHFFFAOYSA-N 1 0 452.578 3.771 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC001313694660 1070957326 /nfs/dbraw/zinc/95/73/26/1070957326.db2.gz XIBCAJICUKCSOH-UHFFFAOYSA-N 1 0 480.682 3.991 20 0 JHADRO CCn1nc(-c2nnc(N3CCC([NH+](CC)CC)CC3)n2C[C@@H](OC)C(C)C)c2ccccc2c1=O ZINC001313694437 1070957396 /nfs/dbraw/zinc/95/73/96/1070957396.db2.gz DXHQITSJZBYHKY-HSZRJFAPSA-N 1 0 495.672 3.657 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NC2CCCCC2)CC1 ZINC001313694667 1070957423 /nfs/dbraw/zinc/95/74/23/1070957423.db2.gz XNULNAZAWSVGHC-UHFFFAOYSA-N 1 0 482.673 3.637 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](Cc2ccccc2)OC)CC1 ZINC001313695284 1070959323 /nfs/dbraw/zinc/95/93/23/1070959323.db2.gz ODPTYGMMUDYXRS-VWNXMTODSA-N 1 0 455.647 3.740 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccnc(SC)c2)CC1 ZINC001313696838 1070964391 /nfs/dbraw/zinc/96/43/91/1070964391.db2.gz KDHBKCHWAFXRHO-UHFFFAOYSA-N 1 0 468.675 3.616 20 0 JHADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ccc(F)cc1Br ZINC001309767317 1070960254 /nfs/dbraw/zinc/96/02/54/1070960254.db2.gz JTKSIPHZHQEBGB-MGPUTAFESA-N 1 0 455.393 3.918 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(C)COCCO2)CC1 ZINC001313696090 1070961942 /nfs/dbraw/zinc/96/19/42/1070961942.db2.gz DPROTAQGJGPNLC-VWLOTQADSA-N 1 0 489.686 3.695 20 0 JHADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314736232 1070962004 /nfs/dbraw/zinc/96/20/04/1070962004.db2.gz FMWSLLLXHOZFSQ-IEBWSBKVSA-N 1 0 461.513 3.916 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 ZINC001313696093 1070962011 /nfs/dbraw/zinc/96/20/11/1070962011.db2.gz TUGXFBJOBPBERL-OAQYLSRUSA-N 1 0 468.646 3.738 20 0 JHADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc(-c2ccc[nH]2)n1CC1([NH+](C)C)CCOCC1 ZINC001314736582 1070963200 /nfs/dbraw/zinc/96/32/00/1070963200.db2.gz IQQRAACYTGKLSW-UHFFFAOYSA-N 1 0 460.529 3.622 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C)CCC2)CC1 ZINC001313697037 1070965146 /nfs/dbraw/zinc/96/51/46/1070965146.db2.gz JIOUTXOYQWGQOO-UHFFFAOYSA-N 1 0 459.660 3.849 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001313698269 1070970099 /nfs/dbraw/zinc/97/00/99/1070970099.db2.gz WFCZWNJPHYHQSQ-LJQANCHMSA-N 1 0 461.054 3.630 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc(-c2cnn(C)c2)n1CC[NH+]1CCCCC1 ZINC001314739808 1070973376 /nfs/dbraw/zinc/97/33/76/1070973376.db2.gz ZTQSKJCPPUIQFC-UHFFFAOYSA-N 1 0 458.408 3.563 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CCOCC2)CC1 ZINC001313700017 1070975986 /nfs/dbraw/zinc/97/59/86/1070975986.db2.gz SJFXKEQTCXAUJU-UHFFFAOYSA-N 1 0 496.700 3.660 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCSC(C)C)CC1 ZINC001313699551 1070974693 /nfs/dbraw/zinc/97/46/93/1070974693.db2.gz MUKQZBWEQBBKNS-UHFFFAOYSA-N 1 0 497.084 3.870 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](NC(C)=O)C2)c1 ZINC001313699604 1070974783 /nfs/dbraw/zinc/97/47/83/1070974783.db2.gz DGFABMBESLZHTL-QHCPKHFHSA-N 1 0 464.614 3.842 20 0 JHADRO CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(C[NH+](CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001313699967 1070975262 /nfs/dbraw/zinc/97/52/62/1070975262.db2.gz MBWWIEKNXDDIMT-JOCHJYFZSA-N 1 0 485.654 3.750 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(F)(F)CC2)c1 ZINC001313700136 1070976158 /nfs/dbraw/zinc/97/61/58/1070976158.db2.gz OGQBRSKPWGHRDP-UHFFFAOYSA-N 1 0 460.573 3.640 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(CC)CC2)CC1 ZINC001313700036 1070976180 /nfs/dbraw/zinc/97/61/80/1070976180.db2.gz TYCOOEOKCQFNOS-UHFFFAOYSA-N 1 0 489.064 3.788 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)N(C)C)C1 ZINC001313700989 1070978635 /nfs/dbraw/zinc/97/86/35/1070978635.db2.gz AGLKLMFIYIQIEF-IBGZPJMESA-N 1 0 472.703 3.922 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(OC)CCOC2)C1 ZINC001313701686 1070981400 /nfs/dbraw/zinc/98/14/00/1070981400.db2.gz JGWXPVLXBPOIOU-UZUQRXQVSA-N 1 0 466.001 3.711 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cc(F)cc(F)c2)CC1 ZINC001313701419 1070980077 /nfs/dbraw/zinc/98/00/77/1070980077.db2.gz VITBXVMZJALLKI-CVDCTZTESA-N 1 0 477.600 3.834 20 0 JHADRO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@@H]2CCCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001314741981 1070980275 /nfs/dbraw/zinc/98/02/75/1070980275.db2.gz ODGBITHMYYVGAL-LJQANCHMSA-N 1 0 481.563 3.938 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCOC[C@@H]2OC)C1 ZINC001313701519 1070980634 /nfs/dbraw/zinc/98/06/34/1070980634.db2.gz HTROIYXCMGZFRU-SPEDKVCISA-N 1 0 480.028 3.957 20 0 JHADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(CC2CCCC2)n1CC[NH+]1CCCCC1 ZINC001314740555 1070976641 /nfs/dbraw/zinc/97/66/41/1070976641.db2.gz XLRFVJGVOWCQOU-UHFFFAOYSA-N 1 0 459.660 3.537 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC=CO2)C1 ZINC001313703425 1070986810 /nfs/dbraw/zinc/98/68/10/1070986810.db2.gz WPVIIBTUTQUXGA-PZJWPPBQSA-N 1 0 455.603 3.823 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCOCC2(C)C)C1 ZINC001313702587 1070984802 /nfs/dbraw/zinc/98/48/02/1070984802.db2.gz PQUINNKXHUBKRP-HXUWFJFHSA-N 1 0 475.081 3.877 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001313702761 1070985265 /nfs/dbraw/zinc/98/52/65/1070985265.db2.gz KDKMCSRPMYLYFN-UHFFFAOYSA-N 1 0 496.059 3.989 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCC(=O)N(C)C)C1 ZINC001313703626 1070987494 /nfs/dbraw/zinc/98/74/94/1070987494.db2.gz ZZUKTZAYRBQYIW-IBGZPJMESA-N 1 0 452.603 3.728 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N2CCC[C@@H](C(C)(C)O)C2)cc1 ZINC001309830630 1070988846 /nfs/dbraw/zinc/98/88/46/1070988846.db2.gz XEIRJMHRUSHJPN-DSNGMDLFSA-N 1 0 456.652 3.776 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001313704139 1070989663 /nfs/dbraw/zinc/98/96/63/1070989663.db2.gz GUEMDPHBFYWGCI-UHFFFAOYSA-N 1 0 475.641 3.535 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)S[C@H](C)C2)cc1 ZINC001313704378 1070990592 /nfs/dbraw/zinc/99/05/92/1070990592.db2.gz LUJWWIXOQIJMFW-RTBURBONSA-N 1 0 451.644 3.955 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C2CCCC2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313704549 1070991174 /nfs/dbraw/zinc/99/11/74/1070991174.db2.gz JLCQJGAILMAXMB-SANMLTNESA-N 1 0 452.647 3.788 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313704861 1070991667 /nfs/dbraw/zinc/99/16/67/1070991667.db2.gz NTGGKPQJSURNCZ-OAQYLSRUSA-N 1 0 475.641 3.596 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCOC[C@@H]2C)C1 ZINC001313705106 1070993093 /nfs/dbraw/zinc/99/30/93/1070993093.db2.gz ALWPBNOZSYBKAR-RJGXRXQPSA-N 1 0 482.673 3.988 20 0 JHADRO CCN(c1nnc(C2CCCC2)n1Cc1ccccc1C[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001313705045 1070992482 /nfs/dbraw/zinc/99/24/82/1070992482.db2.gz PUJWAHXHXOOQDP-HSZRJFAPSA-N 1 0 473.687 3.839 20 0 JHADRO CN(Cc1ccccc1Br)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314746991 1070993637 /nfs/dbraw/zinc/99/36/37/1070993637.db2.gz URFVKOVYTLSWQK-UHFFFAOYSA-N 1 0 499.457 3.774 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)nnc1C(C)(C)C ZINC001313705806 1070994326 /nfs/dbraw/zinc/99/43/26/1070994326.db2.gz VFSLXJQUJUZQKT-QPPBQGQZSA-N 1 0 468.690 3.623 20 0 JHADRO CN(Cc1cccc(OC(F)F)c1)c1nnc(Cc2ccccn2)n1CC[NH+]1CCSCC1 ZINC001314747101 1070994348 /nfs/dbraw/zinc/99/43/48/1070994348.db2.gz UDLMLXVGEDANKM-UHFFFAOYSA-N 1 0 474.581 3.551 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCS[C@@H](C(C)C)C2)cc1 ZINC001313705727 1070994420 /nfs/dbraw/zinc/99/44/20/1070994420.db2.gz TWPGZMUYXGRXNZ-FGZHOGPDSA-N 1 0 470.687 3.697 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)C1 ZINC001313707446 1070998165 /nfs/dbraw/zinc/99/81/65/1070998165.db2.gz NREAQABTDTUCCL-SFTDATJTSA-N 1 0 460.692 3.705 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)SC)C1 ZINC001313707313 1070998203 /nfs/dbraw/zinc/99/82/03/1070998203.db2.gz LVMAWCNRALTGJM-GOSISDBHSA-N 1 0 493.747 3.548 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001313707282 1070998243 /nfs/dbraw/zinc/99/82/43/1070998243.db2.gz LHEAPTQRKPAHAM-SFHVURJKSA-N 1 0 477.535 3.826 20 0 JHADRO O=S(=O)(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccccc1OC(F)F ZINC001309850173 1070995294 /nfs/dbraw/zinc/99/52/94/1070995294.db2.gz UVERJFSRCJZRMA-HUUCEWRRSA-N 1 0 450.429 3.629 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCn2cc(Br)cn2)C1 ZINC001313706260 1070996392 /nfs/dbraw/zinc/99/63/92/1070996392.db2.gz BBPSSVDKUVKXEX-SFHVURJKSA-N 1 0 472.435 3.772 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@](C)(CC)C2)cc1 ZINC001313706952 1070997428 /nfs/dbraw/zinc/99/74/28/1070997428.db2.gz ZOHAOPCAQFSRLY-HHHXNRCGSA-N 1 0 491.640 3.821 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCSC2(C)C)C1 ZINC001313707706 1070998780 /nfs/dbraw/zinc/99/87/80/1070998780.db2.gz OTMDHOIVVAOSQA-RTBURBONSA-N 1 0 471.675 3.625 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OC(F)(F)F)C1 ZINC001313707801 1070998901 /nfs/dbraw/zinc/99/89/01/1070998901.db2.gz SMLADNNCTIXHIV-QGZVFWFLSA-N 1 0 477.535 3.794 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)c(OC)c2)C1 ZINC001313707877 1070998947 /nfs/dbraw/zinc/99/89/47/1070998947.db2.gz UFJGSAMAVOHMFC-FQEVSTJZSA-N 1 0 450.587 3.574 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC2CC(OC(C)(C)C)C2)C1 ZINC001313708124 1070999460 /nfs/dbraw/zinc/99/94/60/1070999460.db2.gz XHAULXHQHJPHQJ-SNCIUUNGSA-N 1 0 457.667 3.831 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001313708169 1070999681 /nfs/dbraw/zinc/99/96/81/1070999681.db2.gz YDEBULGJZATCID-RBUKOAKNSA-N 1 0 459.639 3.602 20 0 JHADRO CCC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)CC1 ZINC001309869250 1071000882 /nfs/dbraw/zinc/00/08/82/1071000882.db2.gz SOKORYJZZHYSOE-LJQANCHMSA-N 1 0 457.036 3.927 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001313709029 1071001163 /nfs/dbraw/zinc/00/11/63/1071001163.db2.gz FMBIGLGBWJVFCS-ICSRJNTNSA-N 1 0 483.642 3.685 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C3CCCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001313709135 1071001542 /nfs/dbraw/zinc/00/15/42/1071001542.db2.gz CQXOIUGYKYHNJV-TZIWHRDSSA-N 1 0 486.627 3.757 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([S@](C)=O)CCC2)C1 ZINC001313709212 1071001666 /nfs/dbraw/zinc/00/16/66/1071001666.db2.gz IQOPLRUEDLBFGZ-BSCCJGOKSA-N 1 0 479.735 3.666 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(F)cn2)C1 ZINC001313710307 1071004073 /nfs/dbraw/zinc/00/40/73/1071004073.db2.gz YIAKSASKHMMBLE-SFHVURJKSA-N 1 0 456.541 3.747 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCC(C(F)(F)F)CC2)C1 ZINC001313712478 1071009046 /nfs/dbraw/zinc/00/90/46/1071009046.db2.gz PZJTTZSSYPMCKL-CHPDAQJUSA-N 1 0 470.584 3.766 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001313710807 1071005342 /nfs/dbraw/zinc/00/53/42/1071005342.db2.gz IHBMPSFORVOPRS-UHFFFAOYSA-N 1 0 491.080 3.987 20 0 JHADRO CN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314752327 1071005415 /nfs/dbraw/zinc/00/54/15/1071005415.db2.gz KZNBQONHRCCVJL-IBGZPJMESA-N 1 0 456.591 3.654 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)C1 ZINC001313710929 1071005892 /nfs/dbraw/zinc/00/58/92/1071005892.db2.gz CSKMUJJUPCROKX-KKIUXKEOSA-N 1 0 464.079 3.602 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001313711386 1071006294 /nfs/dbraw/zinc/00/62/94/1071006294.db2.gz MJXMGEVELHDJCT-RBUKOAKNSA-N 1 0 467.536 3.897 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001313712045 1071007563 /nfs/dbraw/zinc/00/75/63/1071007563.db2.gz QXBXVMFGWJCTOG-NRFANRHFSA-N 1 0 498.031 3.889 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCN(C(C)=O)C2)C1 ZINC001313711905 1071007579 /nfs/dbraw/zinc/00/75/79/1071007579.db2.gz IZTBUIFYBWQOCE-ZEQRLZLVSA-N 1 0 466.674 3.604 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C)C1 ZINC001313712381 1071008419 /nfs/dbraw/zinc/00/84/19/1071008419.db2.gz OPSOSRDJRKQLTH-KRWDZBQOSA-N 1 0 450.425 3.973 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCC(C(F)(F)F)CC2)C1 ZINC001313712480 1071008818 /nfs/dbraw/zinc/00/88/18/1071008818.db2.gz PZJTTZSSYPMCKL-JWHDQAAXSA-N 1 0 470.584 3.766 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001313714628 1071012522 /nfs/dbraw/zinc/01/25/22/1071012522.db2.gz MEOGKYWVNCAFJP-UHFFFAOYSA-N 1 0 482.654 3.710 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2cccnc2)C1 ZINC001313714544 1071012578 /nfs/dbraw/zinc/01/25/78/1071012578.db2.gz ZBIWQOFFBPGGLE-FQEVSTJZSA-N 1 0 454.569 3.953 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313714882 1071013054 /nfs/dbraw/zinc/01/30/54/1071013054.db2.gz VPZPJEPKTZLZKJ-UHFFFAOYSA-N 1 0 460.598 3.873 20 0 JHADRO CC[NH+](CC)CCCn1c(CC(C)(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1 ZINC001313716047 1071015230 /nfs/dbraw/zinc/01/52/30/1071015230.db2.gz FVZRLFBOYBPVRT-UHFFFAOYSA-N 1 0 450.635 3.877 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001309914529 1071015243 /nfs/dbraw/zinc/01/52/43/1071015243.db2.gz AYMNEIIZACZEBU-FQEVSTJZSA-N 1 0 457.681 3.551 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001309914530 1071015295 /nfs/dbraw/zinc/01/52/95/1071015295.db2.gz AYMNEIIZACZEBU-HXUWFJFHSA-N 1 0 457.681 3.551 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCO[C@H](C)C1 ZINC001313716325 1071015875 /nfs/dbraw/zinc/01/58/75/1071015875.db2.gz QVTKISQBQBAQQI-HXUWFJFHSA-N 1 0 481.645 3.583 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001313719210 1071020165 /nfs/dbraw/zinc/02/01/65/1071020165.db2.gz ZHDRNEOVIJBNRZ-QFIPXVFZSA-N 1 0 463.573 3.719 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314761526 1071018695 /nfs/dbraw/zinc/01/86/95/1071018695.db2.gz ZICKRLXCJRMPOC-IBGZPJMESA-N 1 0 492.455 3.859 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2cnccn2)n1CCCCC[NH+]1CCCCC1 ZINC001314762030 1071019099 /nfs/dbraw/zinc/01/90/99/1071019099.db2.gz DCZQXQHWOOAZDJ-UHFFFAOYSA-N 1 0 491.566 3.780 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001313719622 1071020744 /nfs/dbraw/zinc/02/07/44/1071020744.db2.gz BTINBRZNYVKNEQ-HHHXNRCGSA-N 1 0 498.672 3.632 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001313722137 1071026254 /nfs/dbraw/zinc/02/62/54/1071026254.db2.gz XVBCYSFHLBSGQS-DNVCBOLYSA-N 1 0 459.982 3.598 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001313720889 1071021957 /nfs/dbraw/zinc/02/19/57/1071021957.db2.gz UHCOBXVWBONZSW-CIAFKFPVSA-N 1 0 490.693 3.929 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001313721315 1071024058 /nfs/dbraw/zinc/02/40/58/1071024058.db2.gz JQZUNKHBHQJZHC-OAHLLOKOSA-N 1 0 495.491 3.606 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001313721524 1071024606 /nfs/dbraw/zinc/02/46/06/1071024606.db2.gz LZJUTCDQOSDQMZ-MJGOQNOKSA-N 1 0 473.025 3.770 20 0 JHADRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001309944155 1071024797 /nfs/dbraw/zinc/02/47/97/1071024797.db2.gz WYULWLYQGLSDGC-JTHBVZDNSA-N 1 0 459.587 3.961 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001313723421 1071028707 /nfs/dbraw/zinc/02/87/07/1071028707.db2.gz LBYZZAXOEROTKL-DYESRHJHSA-N 1 0 487.555 3.645 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001313724150 1071030204 /nfs/dbraw/zinc/03/02/04/1071030204.db2.gz QKLLDMMUGGTDIF-XHCCPWGMSA-N 1 0 495.672 3.564 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001313722397 1071026778 /nfs/dbraw/zinc/02/67/78/1071026778.db2.gz YRMZWWRDSWSVQW-HXUWFJFHSA-N 1 0 468.646 3.665 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001313723116 1071028233 /nfs/dbraw/zinc/02/82/33/1071028233.db2.gz GXSVBZZJCDCAGC-OAQYLSRUSA-N 1 0 475.641 3.778 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC001313725122 1071031936 /nfs/dbraw/zinc/03/19/36/1071031936.db2.gz FKNLETUWQAMIPB-KLJZETAQSA-N 1 0 489.686 3.507 20 0 JHADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 ZINC001309974601 1071034228 /nfs/dbraw/zinc/03/42/28/1071034228.db2.gz FPAPTEPYOKCXNX-UHFFFAOYSA-N 1 0 450.027 3.642 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001313726299 1071034577 /nfs/dbraw/zinc/03/45/77/1071034577.db2.gz FFYNBUMBWJTJTK-YYTDSSBASA-N 1 0 474.694 3.518 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCOCC1 ZINC001313726396 1071035230 /nfs/dbraw/zinc/03/52/30/1071035230.db2.gz IWFVJEXGARQVEI-NRSPTQNISA-N 1 0 478.682 3.642 20 0 JHADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001309976945 1071035612 /nfs/dbraw/zinc/03/56/12/1071035612.db2.gz RZBBLEFRIBBQRP-JOCHJYFZSA-N 1 0 450.587 3.883 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001313727696 1071037564 /nfs/dbraw/zinc/03/75/64/1071037564.db2.gz ZHCDBZAAUKVATA-DHIUTWEWSA-N 1 0 482.673 3.795 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001313728276 1071039359 /nfs/dbraw/zinc/03/93/59/1071039359.db2.gz GJIUJYBGVPXYQG-HXUWFJFHSA-N 1 0 463.630 3.733 20 0 JHADRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC001309991062 1071041184 /nfs/dbraw/zinc/04/11/84/1071041184.db2.gz KJRHJMFHXZGPKV-IPMKNSEASA-N 1 0 456.612 3.643 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(-c2cccn2C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001313729891 1071042580 /nfs/dbraw/zinc/04/25/80/1071042580.db2.gz NPWMJDDGBZIUEO-GOSISDBHSA-N 1 0 458.557 3.557 20 0 JHADRO CCCCNS(=O)(=O)c1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001309998838 1071047886 /nfs/dbraw/zinc/04/78/86/1071047886.db2.gz ZTUFTDBRMOHYFY-XXBNENTESA-N 1 0 458.628 3.797 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001313730305 1071044130 /nfs/dbraw/zinc/04/41/30/1071044130.db2.gz RSMMJENIDSGYFT-GOSISDBHSA-N 1 0 459.541 3.998 20 0 JHADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC001309994754 1071044217 /nfs/dbraw/zinc/04/42/17/1071044217.db2.gz GFQIEBXKBLVUKC-SFHVURJKSA-N 1 0 457.040 3.853 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCCC1 ZINC001313731716 1071048103 /nfs/dbraw/zinc/04/81/03/1071048103.db2.gz QELLMZNDMBJOPX-KRWDZBQOSA-N 1 0 486.107 3.798 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1CC1(SC)CC[NH+](C)CC1 ZINC001313735496 1071056167 /nfs/dbraw/zinc/05/61/67/1071056167.db2.gz IRHISITXNYNTHP-UHFFFAOYSA-N 1 0 469.659 3.541 20 0 JHADRO CN(CC1CC(F)C1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314782736 1071058463 /nfs/dbraw/zinc/05/84/63/1071058463.db2.gz IRABVPCDDCJCQX-OPWVIFHQSA-N 1 0 478.657 3.917 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)CC1 ZINC001310017821 1071062526 /nfs/dbraw/zinc/06/25/26/1071062526.db2.gz HDFSDEVHONXHEO-MOOKXKAQSA-N 1 0 451.011 3.576 20 0 JHADRO CN(CC1CC(F)C1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314784265 1071060738 /nfs/dbraw/zinc/06/07/38/1071060738.db2.gz DDTLIGKQTBVFDT-AUCFXJAVSA-N 1 0 453.404 3.571 20 0 JHADRO CN(CC1CC(F)C1)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C1CC1)[NH+](C)C ZINC001314784266 1071060746 /nfs/dbraw/zinc/06/07/46/1071060746.db2.gz DDTLIGKQTBVFDT-PVCYVWKFSA-N 1 0 453.404 3.571 20 0 JHADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc(Cc2csc(C)n2)n1CC[N@H+](C)C(C)C ZINC001313740595 1071066202 /nfs/dbraw/zinc/06/62/02/1071066202.db2.gz CLTYIIHTTYNNOL-UHFFFAOYSA-N 1 0 456.616 3.729 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCC(O)CC1 ZINC001313742794 1071069383 /nfs/dbraw/zinc/06/93/83/1071069383.db2.gz VMXSGZOHNNHFIJ-UHFFFAOYSA-N 1 0 487.446 3.909 20 0 JHADRO CN(CC1CCC1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314792880 1071070698 /nfs/dbraw/zinc/07/06/98/1071070698.db2.gz CQQKQPJNVVUZBJ-OAQYLSRUSA-N 1 0 460.667 3.969 20 0 JHADRO CCCOc1cccc(NC(=O)N2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC001310045058 1071081338 /nfs/dbraw/zinc/08/13/38/1071081338.db2.gz BRPHMPPYDPNDDH-UHFFFAOYSA-N 1 0 452.599 3.968 20 0 JHADRO CN(C(=O)Nc1cccc(CN2CCCC2=O)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001310059566 1071090862 /nfs/dbraw/zinc/09/08/62/1071090862.db2.gz CSSRKXQOAOMKEB-DNQXCXABSA-N 1 0 455.647 3.610 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001313751765 1071087474 /nfs/dbraw/zinc/08/74/74/1071087474.db2.gz SHRJKMHZGOPLID-GOSISDBHSA-N 1 0 457.026 3.874 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(Br)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314805209 1071091213 /nfs/dbraw/zinc/09/12/13/1071091213.db2.gz SDHVMKATTMOSLP-OXQOHEQNSA-N 1 0 462.436 3.911 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(-c2ccccc2Cl)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314807303 1071096051 /nfs/dbraw/zinc/09/60/51/1071096051.db2.gz SPOOLHYNGXCARK-HTAPYJJXSA-N 1 0 450.052 3.899 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[NH+]1CCCCCC1 ZINC001313755813 1071097001 /nfs/dbraw/zinc/09/70/01/1071097001.db2.gz DCKNUTSLSVUJHR-FGZHOGPDSA-N 1 0 457.667 3.833 20 0 JHADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001310073164 1071098764 /nfs/dbraw/zinc/09/87/64/1071098764.db2.gz KNHIPGNMGBVXFV-JOCHJYFZSA-N 1 0 458.628 3.546 20 0 JHADRO Cc1ccc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)cc1S(=O)(=O)N(C)C ZINC001310073269 1071098876 /nfs/dbraw/zinc/09/88/76/1071098876.db2.gz OKKIJJIGDLCFRV-SLFFLAALSA-N 1 0 458.628 3.761 20 0 JHADRO CCN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc(-c2cccn2C)n1CC[N@H+](CC)C(C)C ZINC001313756729 1071099592 /nfs/dbraw/zinc/09/95/92/1071099592.db2.gz HTZCMMOPKGHLMX-UHFFFAOYSA-N 1 0 468.631 3.751 20 0 JHADRO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(-c2ccccn2)n1C[C@@H](C)[NH+](CC)CC ZINC001313758850 1071105651 /nfs/dbraw/zinc/10/56/51/1071105651.db2.gz ARRIHVKOUUYAHI-GOSISDBHSA-N 1 0 460.586 3.746 20 0 JHADRO CN(C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)C[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314813008 1071111729 /nfs/dbraw/zinc/11/17/29/1071111729.db2.gz OWUDKLUTHCZVFI-FQEVSTJZSA-N 1 0 498.676 3.550 20 0 JHADRO CN(C[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CC=CCC2)C1)C(=O)OC(C)(C)C ZINC001314813456 1071114228 /nfs/dbraw/zinc/11/42/28/1071114228.db2.gz QNHCZKBNWCYLIZ-JOCHJYFZSA-N 1 0 498.647 3.963 20 0 JHADRO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314815445 1071120834 /nfs/dbraw/zinc/12/08/34/1071120834.db2.gz KGKZJYKHIWFHET-NRFANRHFSA-N 1 0 468.690 3.741 20 0 JHADRO CN(C)c1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(C(F)(F)F)c1 ZINC001310106119 1071121126 /nfs/dbraw/zinc/12/11/26/1071121126.db2.gz VQNJVPGLDKDZRW-XLIONFOSSA-N 1 0 450.505 3.776 20 0 JHADRO CN(CC1CCOCC1)c1nnc(Cc2cccnc2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314817213 1071125419 /nfs/dbraw/zinc/12/54/19/1071125419.db2.gz NBAZXYXHMQJZLS-HSZRJFAPSA-N 1 0 452.578 3.569 20 0 JHADRO CN(CC1CCOCC1)c1nnc(COc2ccccc2F)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314818183 1071126850 /nfs/dbraw/zinc/12/68/50/1071126850.db2.gz HDUHVIVDLGJZOV-HXUWFJFHSA-N 1 0 457.550 3.755 20 0 JHADRO CN(CC1CCOCC1)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCCC1 ZINC001314815986 1071123322 /nfs/dbraw/zinc/12/33/22/1071123322.db2.gz SZVCOOXXIDAMGB-UHFFFAOYSA-N 1 0 465.440 3.773 20 0 JHADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccc(F)cc3)c2)n1 ZINC001310118974 1071132543 /nfs/dbraw/zinc/13/25/43/1071132543.db2.gz WRVUKOBRPCQEEP-IFMALSPDSA-N 1 0 451.502 3.755 20 0 JHADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC001310126802 1071138609 /nfs/dbraw/zinc/13/86/09/1071138609.db2.gz DENPERMLMQDIHR-UHFFFAOYSA-N 1 0 458.525 3.553 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001313781122 1071145680 /nfs/dbraw/zinc/14/56/80/1071145680.db2.gz SFMBDYQVWMLBDP-ZRBLBEILSA-N 1 0 457.619 3.837 20 0 JHADRO CN(CCC(F)F)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001314825853 1071150044 /nfs/dbraw/zinc/15/00/44/1071150044.db2.gz BJBCQQGGGZOYNZ-GOSISDBHSA-N 1 0 470.609 3.970 20 0 JHADRO CN(CCc1ccc(Br)cc1)c1nnc(-c2cccnc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314828266 1071155430 /nfs/dbraw/zinc/15/54/30/1071155430.db2.gz ZGWDZDWSFPNWBJ-UHFFFAOYSA-N 1 0 499.457 3.892 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)C[NH+]2CCCC2)C1)CC(F)(F)F ZINC001313784815 1071156122 /nfs/dbraw/zinc/15/61/22/1071156122.db2.gz HKHNMYVVXHUDSA-PCCBWWKXSA-N 1 0 486.627 3.962 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)C1)CC(F)(F)F ZINC001313785279 1071158808 /nfs/dbraw/zinc/15/88/08/1071158808.db2.gz KGGORPVHGBNVLD-UXHICEINSA-N 1 0 486.627 3.757 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)C1)CC(F)(F)F ZINC001313785278 1071158825 /nfs/dbraw/zinc/15/88/25/1071158825.db2.gz KGGORPVHGBNVLD-PMACEKPBSA-N 1 0 486.627 3.757 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)C1)CC(F)(F)F ZINC001313785281 1071158935 /nfs/dbraw/zinc/15/89/35/1071158935.db2.gz KGGORPVHGBNVLD-WOJBJXKFSA-N 1 0 486.627 3.757 20 0 JHADRO CN(CCc1cnccn1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCCC1 ZINC001314835200 1071176045 /nfs/dbraw/zinc/17/60/45/1071176045.db2.gz IESNFXWACHTMHH-UHFFFAOYSA-N 1 0 463.630 3.719 20 0 JHADRO CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313790740 1071184520 /nfs/dbraw/zinc/18/45/20/1071184520.db2.gz RZQPLIPLIOKSIP-UHFFFAOYSA-N 1 0 450.631 3.588 20 0 JHADRO CCN(CCc1cccs1)c1nnc(C(=O)NC(C)C)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001313791499 1071186849 /nfs/dbraw/zinc/18/68/49/1071186849.db2.gz UJXHPGCMVHFCPA-UHFFFAOYSA-N 1 0 490.743 3.908 20 0 JHADRO CCN(CCc1cccs1)c1nnc(-c2cccnc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001313792420 1071188826 /nfs/dbraw/zinc/18/88/26/1071188826.db2.gz KYSIDPNBXIEHPP-JOCHJYFZSA-N 1 0 454.644 3.827 20 0 JHADRO CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC001310185365 1071191438 /nfs/dbraw/zinc/19/14/38/1071191438.db2.gz DYPRTRNXDOQOLF-QFIPXVFZSA-N 1 0 456.974 3.991 20 0 JHADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001310186761 1071192849 /nfs/dbraw/zinc/19/28/49/1071192849.db2.gz QAKOQICSHWWFBF-GOSISDBHSA-N 1 0 451.449 3.538 20 0 JHADRO CCN(CCC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313795688 1071194658 /nfs/dbraw/zinc/19/46/58/1071194658.db2.gz GRLBUMOCAGZPKN-SVFBPWRDSA-N 1 0 465.708 3.563 20 0 JHADRO CCN(CCC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001313795869 1071195240 /nfs/dbraw/zinc/19/52/40/1071195240.db2.gz JLLVALIFZJZPEZ-IFMALSPDSA-N 1 0 490.693 3.945 20 0 JHADRO COC(=O)N(C)c1ccc(NC(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC001310193537 1071199702 /nfs/dbraw/zinc/19/97/02/1071199702.db2.gz LFPSCOPBBWTPMQ-UHFFFAOYSA-N 1 0 453.543 3.634 20 0 JHADRO CCCNC(=O)c1ccc(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1Cl ZINC001310194505 1071200439 /nfs/dbraw/zinc/20/04/39/1071200439.db2.gz PSMBMJWLQRDCBZ-UHFFFAOYSA-N 1 0 451.011 3.884 20 0 JHADRO CC[N@H+](CCC1CCN(c2nnc(C(C)(C)C)n2CC2(S(C)(=O)=O)CCC2)CC1)CC1CC1 ZINC001313799438 1071200711 /nfs/dbraw/zinc/20/07/11/1071200711.db2.gz GRXDTPAHXQPJQM-UHFFFAOYSA-N 1 0 479.735 3.881 20 0 JHADRO CC[N@H+](CCC1CCN(c2nnc(C(C)(C)C)n2CCN2CCOC[C@H]2C)CC1)CC1CC1 ZINC001313800022 1071202533 /nfs/dbraw/zinc/20/25/33/1071202533.db2.gz NTCIQFNPDDXXGA-OAQYLSRUSA-N 1 0 460.711 3.635 20 0 JHADRO CC[N@H+](CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](N2CCCC2=O)C1)C(C)C ZINC001313802062 1071207186 /nfs/dbraw/zinc/20/71/86/1071207186.db2.gz MWYMWIOTOZXIDS-GOTSBHOMSA-N 1 0 482.673 3.966 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(OC)c2)nnc1N(C)C1CCC2(CC1)OCCO2)C(C)C ZINC001313802734 1071208796 /nfs/dbraw/zinc/20/87/96/1071208796.db2.gz IHNIXMZLCLPXGH-UHFFFAOYSA-N 1 0 457.619 3.806 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001313802669 1071208814 /nfs/dbraw/zinc/20/88/14/1071208814.db2.gz HJHQOQDWIYCKMN-LJQANCHMSA-N 1 0 470.618 3.541 20 0 JHADRO CC[N@H+](CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cnccn2)CC1)C(C)C ZINC001313802874 1071209691 /nfs/dbraw/zinc/20/96/91/1071209691.db2.gz SQAGEEDHAATBGV-HSZRJFAPSA-N 1 0 492.672 3.882 20 0 JHADRO C[N@H+](CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)C1CCCCC1 ZINC001314848806 1071210029 /nfs/dbraw/zinc/21/00/29/1071210029.db2.gz LADMJXSYQICKRC-UHFFFAOYSA-N 1 0 498.594 3.517 20 0 JHADRO CC[N@H+](CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C)C(C)C ZINC001313804654 1071216648 /nfs/dbraw/zinc/21/66/48/1071216648.db2.gz GIAZXGWKQUHNGB-KRWDZBQOSA-N 1 0 465.067 3.534 20 0 JHADRO CC[N@H+](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC(=O)NC(C)C)C(C)C ZINC001313804796 1071217321 /nfs/dbraw/zinc/21/73/21/1071217321.db2.gz DRPBGXIHWGTDRG-UHFFFAOYSA-N 1 0 460.692 3.967 20 0 JHADRO COC(=O)COc1ccc([C@H](C)NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC001310217651 1071214182 /nfs/dbraw/zinc/21/41/82/1071214182.db2.gz LCAHMBMSMSJTGX-SFHVURJKSA-N 1 0 457.596 3.712 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)NC)C1)C1CC1 ZINC001313805643 1071220353 /nfs/dbraw/zinc/22/03/53/1071220353.db2.gz MZBRHQPGUUAWPT-FQEVSTJZSA-N 1 0 452.647 3.689 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc([C@@H]2CCCOC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001314851297 1071221403 /nfs/dbraw/zinc/22/14/03/1071221403.db2.gz QEIDWSQOFKIEKB-HXUWFJFHSA-N 1 0 472.037 3.718 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](COC)C1)C(C)C ZINC001313806644 1071225044 /nfs/dbraw/zinc/22/50/44/1071225044.db2.gz WNZPGDCGVJSYDV-CVEARBPZSA-N 1 0 486.480 3.740 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2Br)nnc1N1CC[C@H](N2CCCC2=O)C1)C(C)C ZINC001313807217 1071227080 /nfs/dbraw/zinc/22/70/80/1071227080.db2.gz GZJMVIXMBAWQKB-SFHVURJKSA-N 1 0 489.462 3.639 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1)CCC(F)(F)F ZINC001313807330 1071227753 /nfs/dbraw/zinc/22/77/53/1071227753.db2.gz KGPYPJIZKCBPJI-HXUWFJFHSA-N 1 0 478.563 3.811 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C ZINC001313808175 1071231781 /nfs/dbraw/zinc/23/17/81/1071231781.db2.gz CJXOEOQKBAIIJE-INIZCTEOSA-N 1 0 450.990 3.525 20 0 JHADRO C[N@H+](CCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001314854725 1071234006 /nfs/dbraw/zinc/23/40/06/1071234006.db2.gz PCQPNWXBWHHIMY-JOCHJYFZSA-N 1 0 452.647 3.689 20 0 JHADRO COc1ccc(CCNC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)cc1O ZINC001310251834 1071237764 /nfs/dbraw/zinc/23/77/64/1071237764.db2.gz LQFYFVANPWFOKG-UHFFFAOYSA-N 1 0 454.571 3.970 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2nccs2)CC1)C(C)C ZINC001313809677 1071238028 /nfs/dbraw/zinc/23/80/28/1071238028.db2.gz QOFXKALDASYBBK-LJQANCHMSA-N 1 0 457.648 3.917 20 0 JHADRO CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314856197 1071238296 /nfs/dbraw/zinc/23/82/96/1071238296.db2.gz YHFIARACSRVRRH-LJQANCHMSA-N 1 0 468.067 3.590 20 0 JHADRO CN(CCCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001314855484 1071236362 /nfs/dbraw/zinc/23/63/62/1071236362.db2.gz KLKMWHTYPLQJEL-JOCHJYFZSA-N 1 0 491.677 3.676 20 0 JHADRO CC[N@H+](CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H]1C(C)C)C(C)C ZINC001313812549 1071251044 /nfs/dbraw/zinc/25/10/44/1071251044.db2.gz HQDANONFBCADHX-FQEVSTJZSA-N 1 0 461.680 3.593 20 0 JHADRO C[N@H+](CCn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001314861015 1071251296 /nfs/dbraw/zinc/25/12/96/1071251296.db2.gz OYASVZMOZLOAKR-NRFANRHFSA-N 1 0 472.609 3.920 20 0 JHADRO CC[N@H+](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C(F)(F)F)C1)C(C)C ZINC001313812662 1071251543 /nfs/dbraw/zinc/25/15/43/1071251543.db2.gz MAGURYMBWXMOOU-FQEVSTJZSA-N 1 0 477.535 3.629 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001314859921 1071249199 /nfs/dbraw/zinc/24/91/99/1071249199.db2.gz CSFUKALYCDTBSJ-OAQYLSRUSA-N 1 0 498.676 3.835 20 0 JHADRO CCN(CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)C(=O)OC(C)(C)C ZINC001313812225 1071249350 /nfs/dbraw/zinc/24/93/50/1071249350.db2.gz SYWQTGNQGLOCLJ-TZIWHRDSSA-N 1 0 484.645 3.884 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1)C(C)C ZINC001313813900 1071255943 /nfs/dbraw/zinc/25/59/43/1071255943.db2.gz HHSQSLZMPMJXNW-LEWJYISDSA-N 1 0 460.692 3.847 20 0 JHADRO CN(Cc1nccs1)c1nnc(Cc2cccnc2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001314862934 1071258206 /nfs/dbraw/zinc/25/82/06/1071258206.db2.gz JALBVWKWKIHIDM-UHFFFAOYSA-N 1 0 451.575 3.628 20 0 JHADRO CC[N@H+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCOC1)C(C)C ZINC001313814683 1071258298 /nfs/dbraw/zinc/25/82/98/1071258298.db2.gz PIDARTMPBRNUOX-YADHBBJMSA-N 1 0 492.709 3.986 20 0 JHADRO C[N@H+](CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CCCCC1 ZINC001314863336 1071259601 /nfs/dbraw/zinc/25/96/01/1071259601.db2.gz PSCSZSSASPCWON-QHCPKHFHSA-N 1 0 495.716 3.907 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C1CC1 ZINC001313816479 1071262968 /nfs/dbraw/zinc/26/29/68/1071262968.db2.gz HSPLDSREGSDPKR-SFHVURJKSA-N 1 0 474.675 3.860 20 0 JHADRO CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NC[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC001310280417 1071263289 /nfs/dbraw/zinc/26/32/89/1071263289.db2.gz HUOWOBCPFIFTQM-VWNXMTODSA-N 1 0 461.610 3.977 20 0 JHADRO CN(CCn1c(Cc2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001314863679 1071261017 /nfs/dbraw/zinc/26/10/17/1071261017.db2.gz VMJGUQYTKBRFSO-UHFFFAOYSA-N 1 0 485.677 3.689 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccsc2)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC001313815964 1071261800 /nfs/dbraw/zinc/26/18/00/1071261800.db2.gz ASTACNRZVWVDON-UHFFFAOYSA-N 1 0 465.627 3.946 20 0 JHADRO CC[N@H+](CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1)C(C)C ZINC001313817337 1071265289 /nfs/dbraw/zinc/26/52/89/1071265289.db2.gz SDFMRJUELGGAOS-OAQYLSRUSA-N 1 0 456.664 3.711 20 0 JHADRO 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1071394026 /nfs/dbraw/zinc/39/40/26/1071394026.db2.gz PGUIWZGVBYEIMP-RTBURBONSA-N 1 0 479.629 3.649 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@@H]3C)n2CC(CC)(CC)OC)c2ccccc2c1=O ZINC001313865012 1071390267 /nfs/dbraw/zinc/39/02/67/1071390267.db2.gz NNYIVSOQWZULOD-UXHICEINSA-N 1 0 495.672 3.799 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313866597 1071396478 /nfs/dbraw/zinc/39/64/78/1071396478.db2.gz KEMCXEFEPAURHS-RTWAWAEBSA-N 1 0 498.672 3.674 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313867708 1071400739 /nfs/dbraw/zinc/40/07/39/1071400739.db2.gz AGQFTZSYNUCRLY-IAGOWNOFSA-N 1 0 475.519 3.752 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OCCOC)cc2)C[C@@H]1C ZINC001313867858 1071401615 /nfs/dbraw/zinc/40/16/15/1071401615.db2.gz LJAGWURUVLTHQP-OALUTQOASA-N 1 0 484.670 3.626 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313867711 1071401764 /nfs/dbraw/zinc/40/17/64/1071401764.db2.gz AGQFTZSYNUCRLY-SJORKVTESA-N 1 0 475.519 3.752 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001314945185 1071402087 /nfs/dbraw/zinc/40/20/87/1071402087.db2.gz HXWKQIDCWSJOCM-QZTJIDSGSA-N 1 0 477.053 3.690 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001313868614 1071402322 /nfs/dbraw/zinc/40/23/22/1071402322.db2.gz MKAAYVAJFQNBBX-ZWKOTPCHSA-N 1 0 459.635 3.860 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2CCCNc2ccccn2)C[C@H]1C ZINC001313868120 1071402479 /nfs/dbraw/zinc/40/24/79/1071402479.db2.gz AQEVXPYMDIFWQE-WOJBJXKFSA-N 1 0 451.594 3.824 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)c2ccsc2)C[C@@H]1C ZINC001313869911 1071410294 /nfs/dbraw/zinc/41/02/94/1071410294.db2.gz CQSOHXDFJSHAFO-LLJLJFOGSA-N 1 0 457.619 3.896 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001313868774 1071406433 /nfs/dbraw/zinc/40/64/33/1071406433.db2.gz NWOKNDZBNPIXNH-CMKODMSKSA-N 1 0 494.482 3.878 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313870084 1071411368 /nfs/dbraw/zinc/41/13/68/1071411368.db2.gz FKCNSJLTADQMSY-RBUKOAKNSA-N 1 0 479.595 3.923 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001313869119 1071407309 /nfs/dbraw/zinc/40/73/09/1071407309.db2.gz PDBLHOHUIBGSBW-NHCUHLMSSA-N 1 0 487.714 3.903 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)cc2OC)C[C@@H]1C ZINC001313869424 1071409391 /nfs/dbraw/zinc/40/93/91/1071409391.db2.gz PRPDWMJEZRSAGH-ZWKOTPCHSA-N 1 0 454.644 3.918 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314948445 1071411630 /nfs/dbraw/zinc/41/16/30/1071411630.db2.gz NTDIXVTZJSPNPV-PMACEKPBSA-N 1 0 492.672 3.664 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@@](C)(O)c2cccs2)C[C@H]1C ZINC001313871145 1071416852 /nfs/dbraw/zinc/41/68/52/1071416852.db2.gz XKTUPRFUDHICCF-OHUGHZGNSA-N 1 0 453.656 3.951 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001313870092 1071412146 /nfs/dbraw/zinc/41/21/46/1071412146.db2.gz FNDMSCPOSWEFPJ-RBUKOAKNSA-N 1 0 461.054 3.628 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccc(C)cc2)C[C@H]1C ZINC001313870178 1071412444 /nfs/dbraw/zinc/41/24/44/1071412444.db2.gz SUIKDACCVYVCEL-UXHICEINSA-N 1 0 466.655 3.588 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001314948978 1071413055 /nfs/dbraw/zinc/41/30/55/1071413055.db2.gz FZDRISRTTVJGDV-GOEBONIOSA-N 1 0 495.491 3.604 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001313870589 1071414235 /nfs/dbraw/zinc/41/42/35/1071414235.db2.gz DWVUICDEGXRCQL-HFMPRLQTSA-N 1 0 489.108 3.798 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(=O)N(C)C)c2)C[C@@H]1C ZINC001313871476 1071416733 /nfs/dbraw/zinc/41/67/33/1071416733.db2.gz UAKFLDMPYCBQSW-ROUUACIJSA-N 1 0 482.032 3.663 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccc(C(F)F)n2)C[C@H]1C ZINC001313871549 1071417600 /nfs/dbraw/zinc/41/76/00/1071417600.db2.gz UJZXGAVLKMJGHT-CVEARBPZSA-N 1 0 487.555 3.657 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)CC(F)(F)F)C[C@H]1C ZINC001313871752 1071418240 /nfs/dbraw/zinc/41/82/40/1071418240.db2.gz HWNMSRUNNHOSFQ-QZTJIDSGSA-N 1 0 477.579 3.850 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001314950824 1071419621 /nfs/dbraw/zinc/41/96/21/1071419621.db2.gz ZMGFGFXKAUIPON-QFBILLFUSA-N 1 0 479.467 3.502 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313872272 1071421035 /nfs/dbraw/zinc/42/10/35/1071421035.db2.gz VZYTYQVSNLZDQA-JAXLGGSGSA-N 1 0 483.661 3.669 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001313872650 1071421969 /nfs/dbraw/zinc/42/19/69/1071421969.db2.gz JZIFPVFPJLPIAI-BXWFABGCSA-N 1 0 489.462 3.541 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nnc(C)s2)C[C@H]1C ZINC001313872447 1071422041 /nfs/dbraw/zinc/42/20/41/1071422041.db2.gz XJEQZLFELYJPFO-ZIAGYGMSSA-N 1 0 462.023 3.734 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001314952139 1071422455 /nfs/dbraw/zinc/42/24/55/1071422455.db2.gz CYRGHGJYJHOUGQ-MOPGFXCFSA-N 1 0 451.619 3.509 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2CCCNC(=O)c2occc2C)C[C@@H]1C ZINC001313873012 1071423893 /nfs/dbraw/zinc/42/38/93/1071423893.db2.gz BPIULJSSRVOVCF-VXKWHMMOSA-N 1 0 494.640 3.806 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCc2nnc(C)s2)C[C@@H]1C ZINC001313874014 1071426987 /nfs/dbraw/zinc/42/69/87/1071426987.db2.gz FTFICUXZJUOMOT-RBUKOAKNSA-N 1 0 469.659 3.795 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cccs2)C[C@@H]1C ZINC001313874134 1071427269 /nfs/dbraw/zinc/42/72/69/1071427269.db2.gz MWDTXZKPUXMVSN-IRXDYDNUSA-N 1 0 488.608 3.558 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(C)cc2)C[C@H]1C ZINC001313874769 1071430609 /nfs/dbraw/zinc/43/06/09/1071430609.db2.gz KBDDVWIMXPIOON-WOJBJXKFSA-N 1 0 482.654 3.576 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314956633 1071430686 /nfs/dbraw/zinc/43/06/86/1071430686.db2.gz BFHCWTBRZPSUDK-RBUKOAKNSA-N 1 0 475.081 3.851 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313875120 1071432082 /nfs/dbraw/zinc/43/20/82/1071432082.db2.gz LEGDSODXQUHBHD-MSOLQXFVSA-N 1 0 471.005 3.881 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCOCC(F)(F)C(F)F)C[C@H]1C ZINC001313875387 1071433592 /nfs/dbraw/zinc/43/35/92/1071433592.db2.gz RXTLESOZUQMYFU-CVEARBPZSA-N 1 0 473.515 3.790 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCOCC2CCOCC2)C[C@H]1C ZINC001313875379 1071433671 /nfs/dbraw/zinc/43/36/71/1071433671.db2.gz QEPVESXYBAFNBR-WOJBJXKFSA-N 1 0 491.627 3.899 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cc(Cl)cn2)C[C@@H]1C ZINC001313877018 1071440003 /nfs/dbraw/zinc/44/00/03/1071440003.db2.gz QFPPABMIZZKHTN-VQTJNVASSA-N 1 0 472.037 3.943 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Br)s3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001313876254 1071437390 /nfs/dbraw/zinc/43/73/90/1071437390.db2.gz ITPXLTGORHTDER-OAHLLOKOSA-N 1 0 495.491 3.558 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001313876562 1071438415 /nfs/dbraw/zinc/43/84/15/1071438415.db2.gz LSOGDCUWONLZHJ-URVUXULASA-N 1 0 489.636 3.919 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314962596 1071438385 /nfs/dbraw/zinc/43/83/85/1071438385.db2.gz SEYDBYSTTRYXKL-HSZRJFAPSA-N 1 0 459.038 3.825 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313876483 1071438439 /nfs/dbraw/zinc/43/84/39/1071438439.db2.gz OYEFLJOHPSSVCK-UXHICEINSA-N 1 0 482.595 3.969 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313876620 1071438907 /nfs/dbraw/zinc/43/89/07/1071438907.db2.gz VAGKVGQFNLYEHQ-PCCBWWKXSA-N 1 0 483.661 3.906 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCCO[C@H]2CCOC2)C[C@@H]1C ZINC001313875533 1071434569 /nfs/dbraw/zinc/43/45/69/1071434569.db2.gz MOKMIBOKRVPTJQ-FIXSFTCYSA-N 1 0 471.646 3.588 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313878711 1071445418 /nfs/dbraw/zinc/44/54/18/1071445418.db2.gz XPHWWLQWJGRUJF-HZPDHXFCSA-N 1 0 479.576 3.901 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001314963706 1071441745 /nfs/dbraw/zinc/44/17/45/1071441745.db2.gz ACYVFFJHXUBZIO-XMMPIXPASA-N 1 0 459.038 3.683 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(=O)N3CCCC3)nnc2N2CCC(OCCC(C)C)CC2)CC1 ZINC001313878096 1071443198 /nfs/dbraw/zinc/44/31/98/1071443198.db2.gz VEXLSUZZPKLHQB-UHFFFAOYSA-N 1 0 474.694 3.668 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001314964533 1071443176 /nfs/dbraw/zinc/44/31/76/1071443176.db2.gz FPJIALHNANILNB-RUZDIDTESA-N 1 0 490.599 3.631 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(OC)c3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314966468 1071449689 /nfs/dbraw/zinc/44/96/89/1071449689.db2.gz QRPIADPOFQXUAF-ISCCLHIJSA-N 1 0 482.673 3.674 20 0 JHADRO CC[NH+]1CCC(CCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001313880208 1071451948 /nfs/dbraw/zinc/45/19/48/1071451948.db2.gz QSPGPZLUPZOHDK-NRFANRHFSA-N 1 0 492.709 3.719 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001313879981 1071451258 /nfs/dbraw/zinc/45/12/58/1071451258.db2.gz DWBXLRTVYVOMTC-HXUWFJFHSA-N 1 0 483.661 3.908 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001314967227 1071452133 /nfs/dbraw/zinc/45/21/33/1071452133.db2.gz BSZFSAGUBYXJIA-AREMUKBSSA-N 1 0 465.646 3.898 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccc(F)cc3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001313881976 1071456527 /nfs/dbraw/zinc/45/65/27/1071456527.db2.gz RBDHMJQSJWOQCV-UHFFFAOYSA-N 1 0 473.593 3.508 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccncc3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001313883619 1071462165 /nfs/dbraw/zinc/46/21/65/1071462165.db2.gz VGGNZCDLKOMOKI-UMSFTDKQSA-N 1 0 480.682 3.760 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001313883834 1071462720 /nfs/dbraw/zinc/46/27/20/1071462720.db2.gz KIBAZIGOANJZPS-PMACEKPBSA-N 1 0 486.636 3.640 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3cccc(C)c3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001313883949 1071462913 /nfs/dbraw/zinc/46/29/13/1071462913.db2.gz XCOLAUQOUTZLOV-DEOSSOPVSA-N 1 0 482.673 3.592 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001313884836 1071465098 /nfs/dbraw/zinc/46/50/98/1071465098.db2.gz NTEOORKZINZILW-RTWAWAEBSA-N 1 0 483.686 3.689 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001313886045 1071468254 /nfs/dbraw/zinc/46/82/54/1071468254.db2.gz LCWITKRRPHPUFS-GOSISDBHSA-N 1 0 457.619 3.698 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001313886063 1071468881 /nfs/dbraw/zinc/46/88/81/1071468881.db2.gz LTBFSHRBNPQGQW-GMAHTHKFSA-N 1 0 482.673 3.769 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3c(F)cccc3Cl)CC2)C1 ZINC001313886885 1071471625 /nfs/dbraw/zinc/47/16/25/1071471625.db2.gz FNWWLHYBDXGZJA-GOSISDBHSA-N 1 0 491.055 3.963 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001314977374 1071471917 /nfs/dbraw/zinc/47/19/17/1071471917.db2.gz YHZYMEXAJRPTOV-IBGZPJMESA-N 1 0 464.614 3.965 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC001313888047 1071474987 /nfs/dbraw/zinc/47/49/87/1071474987.db2.gz FZOZTPNMIBBKME-MOPGFXCFSA-N 1 0 493.743 3.877 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001313888111 1071476012 /nfs/dbraw/zinc/47/60/12/1071476012.db2.gz MHJCHIFXWKWAMG-FCHUYYIVSA-N 1 0 482.673 3.965 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)COC)C[C@H]1C ZINC001313888605 1071477755 /nfs/dbraw/zinc/47/77/55/1071477755.db2.gz WVVHUQOLTGQUBF-AQNXPRMDSA-N 1 0 478.682 3.942 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001313889196 1071479447 /nfs/dbraw/zinc/47/94/47/1071479447.db2.gz HIVWHQHABRGMGI-ZWKOTPCHSA-N 1 0 467.536 3.986 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC=C(C)CC2)C1 ZINC001313890532 1071483173 /nfs/dbraw/zinc/48/31/73/1071483173.db2.gz ZRSRILRCGNWJHR-HXUWFJFHSA-N 1 0 458.651 3.891 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(F)(F)CC1 ZINC001313892244 1071486921 /nfs/dbraw/zinc/48/69/21/1071486921.db2.gz CVEHTJVFNCBIKH-QGZVFWFLSA-N 1 0 465.545 3.691 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@H]2CC[N@H+](CC)C2)C1)CC(F)(F)F ZINC001313893917 1071491822 /nfs/dbraw/zinc/49/18/22/1071491822.db2.gz QSUVSSXVHSPUDJ-MOPGFXCFSA-N 1 0 456.601 3.988 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)[C@H](OC)C2)C1 ZINC001313893889 1071491879 /nfs/dbraw/zinc/49/18/79/1071491879.db2.gz QBEOZINQHOFRJW-CIAFKFPVSA-N 1 0 490.693 3.596 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001314984878 1071491163 /nfs/dbraw/zinc/49/11/63/1071491163.db2.gz INQGJLIAPUQQCQ-UXHICEINSA-N 1 0 486.636 3.784 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313894758 1071494118 /nfs/dbraw/zinc/49/41/18/1071494118.db2.gz CEPJVQBWYIILGG-IEBWSBKVSA-N 1 0 458.607 3.776 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC001313894859 1071495003 /nfs/dbraw/zinc/49/50/03/1071495003.db2.gz XKDGJQMIVVIUDK-QUCCMNQESA-N 1 0 455.582 3.894 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313894798 1071495035 /nfs/dbraw/zinc/49/50/35/1071495035.db2.gz CSJLUVSEUXJBOM-ZBFHGGJFSA-N 1 0 452.386 3.736 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001314986532 1071495373 /nfs/dbraw/zinc/49/53/73/1071495373.db2.gz AEXHQBIRTOLEQZ-OAQYLSRUSA-N 1 0 456.635 3.567 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCc1cnccn1 ZINC001313895373 1071496522 /nfs/dbraw/zinc/49/65/22/1071496522.db2.gz HOCODUYUNOJGJR-GOSISDBHSA-N 1 0 488.409 3.800 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@@H](COC)C1 ZINC001313895396 1071497035 /nfs/dbraw/zinc/49/70/35/1071497035.db2.gz HVEPCDUDTCYYNM-WOJBJXKFSA-N 1 0 457.619 3.700 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001314988385 1071501549 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1071513564 /nfs/dbraw/zinc/51/35/64/1071513564.db2.gz KFSLKZUBXNMVFQ-AZUAARDMSA-N 1 0 471.650 3.887 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001313903133 1071514844 /nfs/dbraw/zinc/51/48/44/1071514844.db2.gz MGKSWCXCPCEPMI-GBXCKJPGSA-N 1 0 495.590 3.914 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001313903344 1071515897 /nfs/dbraw/zinc/51/58/97/1071515897.db2.gz APOQWSKRDLMMEC-UYAOXDASSA-N 1 0 457.619 3.840 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001313903645 1071515960 /nfs/dbraw/zinc/51/59/60/1071515960.db2.gz DATYICUAYYESBR-IRFCIJBXSA-N 1 0 459.660 3.705 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001313904444 1071518397 /nfs/dbraw/zinc/51/83/97/1071518397.db2.gz HTRRUNWRGQXPET-QGZVFWFLSA-N 1 0 463.001 3.817 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314998880 1071519170 /nfs/dbraw/zinc/51/91/70/1071519170.db2.gz XJIUFQCCCJDRMF-UPVQGACJSA-N 1 0 466.674 3.680 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313904650 1071519144 /nfs/dbraw/zinc/51/91/44/1071519144.db2.gz RRQCFWCJOJNLBO-IBGZPJMESA-N 1 0 481.563 3.852 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001313904976 1071519730 /nfs/dbraw/zinc/51/97/30/1071519730.db2.gz KKVRBFHBGIIGRC-LTFPLMDUSA-N 1 0 478.707 3.863 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315001811 1071525058 /nfs/dbraw/zinc/52/50/58/1071525058.db2.gz ODYTVSLACNKQPO-FCHUYYIVSA-N 1 0 466.674 3.536 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001313905357 1071521506 /nfs/dbraw/zinc/52/15/06/1071521506.db2.gz WVMVCQBAXYBGPV-FQEVSTJZSA-N 1 0 471.650 3.509 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313905985 1071522666 /nfs/dbraw/zinc/52/26/66/1071522666.db2.gz WXMUZMYSRFWEOR-NZQKXSOJSA-N 1 0 482.673 3.696 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001313906898 1071525921 /nfs/dbraw/zinc/52/59/21/1071525921.db2.gz SQAZGBYVXAGQFO-WWPVKYPJSA-N 1 0 468.646 3.883 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccn1 ZINC001313907239 1071526714 /nfs/dbraw/zinc/52/67/14/1071526714.db2.gz ZXHKTPNLRBAVAL-RTWAWAEBSA-N 1 0 469.634 3.866 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001313908308 1071529344 /nfs/dbraw/zinc/52/93/44/1071529344.db2.gz IHIJGFGZIQLRND-SFHVURJKSA-N 1 0 463.001 3.704 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313908208 1071529383 /nfs/dbraw/zinc/52/93/83/1071529383.db2.gz BLVSRNBTDSNQCE-ICSRJNTNSA-N 1 0 470.643 3.749 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313909216 1071530859 /nfs/dbraw/zinc/53/08/59/1071530859.db2.gz PUUKKLXTUFLOTN-NLFFAJNJSA-N 1 0 457.619 3.842 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@](C)(CC)C1 ZINC001313909213 1071530882 /nfs/dbraw/zinc/53/08/82/1071530882.db2.gz PUUKKLXTUFLOTN-CJFMBICVSA-N 1 0 457.619 3.842 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2c(F)cccc2OC)CC1 ZINC001313909165 1071531828 /nfs/dbraw/zinc/53/18/28/1071531828.db2.gz BTPCAARXOSOUAP-FQEVSTJZSA-N 1 0 458.626 3.825 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313909358 1071532422 /nfs/dbraw/zinc/53/24/22/1071532422.db2.gz OLCSTLUVVXRKOO-XZOQPEGZSA-N 1 0 497.688 3.832 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313910759 1071536600 /nfs/dbraw/zinc/53/66/00/1071536600.db2.gz GRQVGMRJVJWFHM-YADHBBJMSA-N 1 0 459.610 3.513 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCOC ZINC001313910152 1071534511 /nfs/dbraw/zinc/53/45/11/1071534511.db2.gz VLFIKSYZFWRUIP-SFHVURJKSA-N 1 0 450.425 3.973 20 0 JHADRO CNC(=O)CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001315017061 1071537666 /nfs/dbraw/zinc/53/76/66/1071537666.db2.gz PFTWJGLZNKYJCB-HXUWFJFHSA-N 1 0 486.636 3.786 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC001313911881 1071538434 /nfs/dbraw/zinc/53/84/34/1071538434.db2.gz SHEPSALRRXEKPF-LJQANCHMSA-N 1 0 489.571 3.799 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313912995 1071541672 /nfs/dbraw/zinc/54/16/72/1071541672.db2.gz PAYUMAUIJHVWEA-HSZRJFAPSA-N 1 0 466.674 3.746 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001313913847 1071544860 /nfs/dbraw/zinc/54/48/60/1071544860.db2.gz ZOBSIHXGLBFNPE-INIZCTEOSA-N 1 0 493.475 3.971 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(CCNC(C)=O)Cc1ccsc1 ZINC001313914139 1071546226 /nfs/dbraw/zinc/54/62/26/1071546226.db2.gz RZRCMDDBXMQUKO-NRFANRHFSA-N 1 0 460.692 3.945 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1=O ZINC001313914476 1071547462 /nfs/dbraw/zinc/54/74/62/1071547462.db2.gz XYIWXQBBHJSEEI-NRFANRHFSA-N 1 0 468.646 3.667 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001313913639 1071544163 /nfs/dbraw/zinc/54/41/63/1071544163.db2.gz QHSLWVOWLRTNOV-JOCHJYFZSA-N 1 0 472.653 3.821 20 0 JHADRO CCN1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+](CC)C2CC2)CC1=O ZINC001313913741 1071544449 /nfs/dbraw/zinc/54/44/49/1071544449.db2.gz MDQWANJQCORHDO-OAQYLSRUSA-N 1 0 468.646 3.578 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001315025200 1071549209 /nfs/dbraw/zinc/54/92/09/1071549209.db2.gz DAYUGQKPSKEFTR-JOCHJYFZSA-N 1 0 484.645 3.725 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313915149 1071549795 /nfs/dbraw/zinc/54/97/95/1071549795.db2.gz QCRJSRHLDHOUDQ-ONTIZHBOSA-N 1 0 463.667 3.660 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCO1 ZINC001313915125 1071549843 /nfs/dbraw/zinc/54/98/43/1071549843.db2.gz PWHQMRIHLZTOAO-JSXRDJHFSA-N 1 0 476.666 3.538 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1=O ZINC001313915775 1071550899 /nfs/dbraw/zinc/55/08/99/1071550899.db2.gz LGSZKGONPFCJTN-WOJBJXKFSA-N 1 0 470.637 3.899 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(C(C)(C)C)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001315026280 1071551295 /nfs/dbraw/zinc/55/12/95/1071551295.db2.gz XCFDDTWOAULYKY-IFMALSPDSA-N 1 0 454.663 3.839 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313915820 1071551475 /nfs/dbraw/zinc/55/14/75/1071551475.db2.gz TZTMYPHOQJZHRF-FQRUVTKNSA-N 1 0 487.645 3.978 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](COC)C1 ZINC001313916139 1071552643 /nfs/dbraw/zinc/55/26/43/1071552643.db2.gz WJVFVBQUDVIIFI-KJJMTIBFSA-N 1 0 490.693 3.786 20 0 JHADRO CCN1CCCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@H](C)[NH+](CC)CC)CC1=O ZINC001313917071 1071554231 /nfs/dbraw/zinc/55/42/31/1071554231.db2.gz RRBUXJZOSWTAOA-MOPGFXCFSA-N 1 0 472.703 3.920 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001315028532 1071556354 /nfs/dbraw/zinc/55/63/54/1071556354.db2.gz IICXISFXGRBWPS-LJQANCHMSA-N 1 0 451.619 3.509 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315029640 1071558418 /nfs/dbraw/zinc/55/84/18/1071558418.db2.gz DWKTWAFZGPATDA-UQBPGWFLSA-N 1 0 475.081 3.995 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC=CCC2)CC1 ZINC001313920480 1071559549 /nfs/dbraw/zinc/55/95/49/1071559549.db2.gz JKPDAXWYLVGNNS-SFHVURJKSA-N 1 0 489.462 3.509 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N(C)[C@@H](CF)c2ccc(Br)cc2)CC1 ZINC001313921664 1071561133 /nfs/dbraw/zinc/56/11/33/1071561133.db2.gz SGLWPSGZYKIECY-UZLBHIALSA-N 1 0 467.431 3.522 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315031704 1071561620 /nfs/dbraw/zinc/56/16/20/1071561620.db2.gz VHHYPCXQZJSAIO-HXUWFJFHSA-N 1 0 463.630 3.639 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313921865 1071562659 /nfs/dbraw/zinc/56/26/59/1071562659.db2.gz TWYKYMCHMFJLRE-SIKLNZKXSA-N 1 0 461.054 3.659 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313921920 1071563051 /nfs/dbraw/zinc/56/30/51/1071563051.db2.gz UGVWSHNSAHLGHW-KRWDZBQOSA-N 1 0 497.432 3.887 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313922336 1071563707 /nfs/dbraw/zinc/56/37/07/1071563707.db2.gz VTIHYPMTPPHSEK-NHCUHLMSSA-N 1 0 470.662 3.615 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)CCC2CC2)CC1 ZINC001313922363 1071564244 /nfs/dbraw/zinc/56/42/44/1071564244.db2.gz WGYHVTRWIDKAPJ-GOSISDBHSA-N 1 0 475.479 3.970 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC2CC(F)C2)CC1 ZINC001313923003 1071566163 /nfs/dbraw/zinc/56/61/63/1071566163.db2.gz ZERPIVXCHZHHQU-QAJIEZEQSA-N 1 0 476.616 3.768 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313924446 1071570228 /nfs/dbraw/zinc/57/02/28/1071570228.db2.gz GBWGMRWYJCCZAI-AZUAARDMSA-N 1 0 480.579 3.758 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001313923473 1071566787 /nfs/dbraw/zinc/56/67/87/1071566787.db2.gz NAQLXCJKHMIWEM-LADGPHEKSA-N 1 0 481.689 3.798 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313923926 1071568753 /nfs/dbraw/zinc/56/87/53/1071568753.db2.gz BBEMCZAZJKPIDN-PZJWPPBQSA-N 1 0 458.651 3.656 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001315036776 1071569563 /nfs/dbraw/zinc/56/95/63/1071569563.db2.gz TVUGMCZODJRQSD-LJQANCHMSA-N 1 0 451.619 3.653 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313924955 1071571952 /nfs/dbraw/zinc/57/19/52/1071571952.db2.gz KCZRNNGCXGCZOO-NHCUHLMSSA-N 1 0 463.630 3.572 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313924807 1071572079 /nfs/dbraw/zinc/57/20/79/1071572079.db2.gz JCANUUFWULJOHN-BKMJKUGQSA-N 1 0 454.663 3.675 20 0 JHADRO CNC(=O)CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001315041124 1071573314 /nfs/dbraw/zinc/57/33/14/1071573314.db2.gz LXKTWGQHBNQBLS-HXUWFJFHSA-N 1 0 471.005 3.525 20 0 JHADRO CCN1CC[NH+]([C@H](C)Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCC(F)F)CC1 ZINC001313925455 1071573860 /nfs/dbraw/zinc/57/38/60/1071573860.db2.gz QYVTYPRHSHQJND-GOSISDBHSA-N 1 0 459.589 3.554 20 0 JHADRO CNC(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001315042047 1071574140 /nfs/dbraw/zinc/57/41/40/1071574140.db2.gz CWRCSOWIXQMUMX-ROUUACIJSA-N 1 0 475.037 3.518 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313925763 1071574854 /nfs/dbraw/zinc/57/48/54/1071574854.db2.gz AGMFSZNTIMNMBB-VXKWHMMOSA-N 1 0 477.657 3.881 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CCC([C@H](O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313926979 1071578083 /nfs/dbraw/zinc/57/80/83/1071578083.db2.gz GRVYKTVQJRXKSA-HYBUGGRVSA-N 1 0 486.680 3.691 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC001313927663 1071581172 /nfs/dbraw/zinc/58/11/72/1071581172.db2.gz JNTNQNVIOALBMV-QFIPXVFZSA-N 1 0 495.716 3.748 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001315056316 1071581518 /nfs/dbraw/zinc/58/15/18/1071581518.db2.gz LUNWJLVWLIHKHL-OAQYLSRUSA-N 1 0 479.629 3.600 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001313927360 1071579766 /nfs/dbraw/zinc/57/97/66/1071579766.db2.gz JXGMRQLEPYMVAY-LJQANCHMSA-N 1 0 499.107 3.535 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313927418 1071580078 /nfs/dbraw/zinc/58/00/78/1071580078.db2.gz KRBARURYQVKBJD-SSGKUCQKSA-N 1 0 460.711 3.849 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N(C)OC2CCCC2)CC1 ZINC001313927547 1071580500 /nfs/dbraw/zinc/58/05/00/1071580500.db2.gz MAVAGYUNCYGNSE-QFIPXVFZSA-N 1 0 470.662 3.810 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313928120 1071582723 /nfs/dbraw/zinc/58/27/23/1071582723.db2.gz QLWCUWBLRYIMGQ-FQEVSTJZSA-N 1 0 458.626 3.649 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313929277 1071586517 /nfs/dbraw/zinc/58/65/17/1071586517.db2.gz YHYFNFGHJYWYKQ-JOCHJYFZSA-N 1 0 484.689 3.764 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313928594 1071583887 /nfs/dbraw/zinc/58/38/87/1071583887.db2.gz BTFVBNAMYXFVQR-SJORKVTESA-N 1 0 455.525 3.600 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001313928591 1071584451 /nfs/dbraw/zinc/58/44/51/1071584451.db2.gz UKNKUGPZSVDDAF-OAQYLSRUSA-N 1 0 466.630 3.729 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N(C)CC2CCCC2)CC1 ZINC001313929958 1071587933 /nfs/dbraw/zinc/58/79/33/1071587933.db2.gz ULJQBINEKGTLMZ-OAQYLSRUSA-N 1 0 454.663 3.530 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2ccnc2C)C[C@@H]1C ZINC001313930261 1071588956 /nfs/dbraw/zinc/58/89/56/1071588956.db2.gz AULWWPXMYHYRIK-INIZCTEOSA-N 1 0 490.425 3.972 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(COC)c2)C[C@@H]1C ZINC001313930281 1071589432 /nfs/dbraw/zinc/58/94/32/1071589432.db2.gz BFACGETYYXIKIV-INIZCTEOSA-N 1 0 473.419 3.761 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CSCCS2)C[C@@H]1C ZINC001313930302 1071589477 /nfs/dbraw/zinc/58/94/77/1071589477.db2.gz BLCPTHKRVLVPPZ-YJBOKZPZSA-N 1 0 469.627 3.926 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2cc(Br)ccc2F)C[C@H]1C ZINC001313930651 1071590125 /nfs/dbraw/zinc/59/01/25/1071590125.db2.gz NSMTYNSKCUNEHL-IAGOWNOFSA-N 1 0 498.441 3.677 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313931573 1071592808 /nfs/dbraw/zinc/59/28/08/1071592808.db2.gz FSCRNTKQSLTWRP-INIZCTEOSA-N 1 0 471.403 3.690 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)C)nnc3N3CCC[C@@H](C(C)C)C3)cn2)CC1 ZINC001313931910 1071594049 /nfs/dbraw/zinc/59/40/49/1071594049.db2.gz DLFZALVTPZVUGU-HSZRJFAPSA-N 1 0 453.679 3.934 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCCc2ccccc2)CC1 ZINC001313933493 1071598021 /nfs/dbraw/zinc/59/80/21/1071598021.db2.gz ZBSYSMCRBFUNKN-HSZRJFAPSA-N 1 0 461.658 3.744 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(N(C)Cc4cnc(C(C)C)nc4)nnc3C(C)(C)C)cn2)CC1 ZINC001313933084 1071596879 /nfs/dbraw/zinc/59/68/79/1071596879.db2.gz JFNDYHZYEXVQPU-UHFFFAOYSA-N 1 0 491.688 3.711 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@](C)(O)CC)C[C@@H]1C ZINC001313933720 1071599267 /nfs/dbraw/zinc/59/92/67/1071599267.db2.gz QCBSPKUUUXRBGK-KKSFZXQISA-N 1 0 450.425 3.707 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(N(C)[C@@H](C)CCSC)nnc3C(C)(C)C)cn2)CC1 ZINC001313934778 1071603521 /nfs/dbraw/zinc/60/35/21/1071603521.db2.gz SMMRZEMTVIGHPX-IBGZPJMESA-N 1 0 459.708 3.739 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@](C)(O)c2ccco2)C[C@H]1C ZINC001313933936 1071600342 /nfs/dbraw/zinc/60/03/42/1071600342.db2.gz PEIXKEZQBWQDPM-QRQCRPRQSA-N 1 0 492.393 3.878 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cccnc2OC)C[C@H]1C ZINC001313933944 1071600422 /nfs/dbraw/zinc/60/04/22/1071600422.db2.gz PKCLWKWRYVDLEE-MRXNPFEDSA-N 1 0 458.513 3.529 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2C(F)(F)F)C[C@H]1C ZINC001313934169 1071601173 /nfs/dbraw/zinc/60/11/73/1071601173.db2.gz PUCAZMHBAZCRKX-QGZVFWFLSA-N 1 0 487.530 3.717 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)c2ccccn2)C[C@@H]1C ZINC001313934491 1071602311 /nfs/dbraw/zinc/60/23/11/1071602311.db2.gz AJPZHRMOIFIGPF-IBGZPJMESA-N 1 0 464.614 3.866 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(Cc4ccsc4)nnc3N(C)CCC(C)C)cn2)CC1 ZINC001313934464 1071602359 /nfs/dbraw/zinc/60/23/59/1071602359.db2.gz RSHHHDONPNRYGX-UHFFFAOYSA-N 1 0 467.687 3.998 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(C)C2CC2)C[C@@H]1C ZINC001313934742 1071603072 /nfs/dbraw/zinc/60/30/72/1071603072.db2.gz VIMJMOCBWZQKAK-SFHVURJKSA-N 1 0 459.660 3.705 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCO[C@H]2C(C)C)C[C@@H]1C ZINC001313935188 1071605366 /nfs/dbraw/zinc/60/53/66/1071605366.db2.gz FJXRTIJMJXVDGN-SKPFHBQLSA-N 1 0 471.646 3.944 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313936826 1071609682 /nfs/dbraw/zinc/60/96/82/1071609682.db2.gz IJQTZQOMSGROHU-KNQAVFIVSA-N 1 0 457.619 3.700 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(Cl)nc2)C[C@@H]1C ZINC001313935577 1071606777 /nfs/dbraw/zinc/60/67/77/1071606777.db2.gz ILUGVIYCCAJBNY-INIZCTEOSA-N 1 0 456.978 3.589 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313936190 1071607854 /nfs/dbraw/zinc/60/78/54/1071607854.db2.gz MUDNUZBQYKNXIS-KRWDZBQOSA-N 1 0 494.587 3.644 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(F)F)C[C@H]1C ZINC001313936739 1071609039 /nfs/dbraw/zinc/60/90/39/1071609039.db2.gz IDCKIILHXGFZGE-MSOLQXFVSA-N 1 0 470.609 3.968 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCCC3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001313939098 1071612771 /nfs/dbraw/zinc/61/27/71/1071612771.db2.gz BRSGBZMJONANRV-INIZCTEOSA-N 1 0 452.525 3.851 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2CCCn2cc(Br)cn2)C[C@@H]1C ZINC001313939574 1071613403 /nfs/dbraw/zinc/61/34/03/1071613403.db2.gz DEPGVWGIAVAUSI-KRWDZBQOSA-N 1 0 464.456 3.591 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001313940128 1071614031 /nfs/dbraw/zinc/61/40/31/1071614031.db2.gz GLTSJSOQWSQRAQ-QGZVFWFLSA-N 1 0 459.520 3.835 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)C)n3CCCCOc3ccc(C)cc3)C2)CC1 ZINC001313942904 1071621443 /nfs/dbraw/zinc/62/14/43/1071621443.db2.gz NNGPEQQLBCQXDF-QHCPKHFHSA-N 1 0 454.663 3.785 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCc2c[nH]nc2C)C[C@H]1C ZINC001313943039 1071621463 /nfs/dbraw/zinc/62/14/63/1071621463.db2.gz OUEXXXLKLSJHSC-HXUWFJFHSA-N 1 0 451.619 3.669 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001313941351 1071616943 /nfs/dbraw/zinc/61/69/43/1071616943.db2.gz UOYWYPXEELAQOD-OAHLLOKOSA-N 1 0 495.575 3.549 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCOc2ncccc2F)C[C@@H]1C ZINC001313941380 1071617043 /nfs/dbraw/zinc/61/70/43/1071617043.db2.gz CBWQSIGQKSANRY-FQEVSTJZSA-N 1 0 468.577 3.617 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(C(C)C)n3CC3CC[NH+](CCC(C)C)CC3)CC2)C1=O ZINC001313941817 1071618133 /nfs/dbraw/zinc/61/81/33/1071618133.db2.gz AJKXGBWWZPQWPT-UHFFFAOYSA-N 1 0 473.710 3.886 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCCC[C@@H]3C)CC2)C1=O ZINC001313942168 1071619607 /nfs/dbraw/zinc/61/96/07/1071619607.db2.gz FEFVQOCZZDWKFE-NRFANRHFSA-N 1 0 473.710 3.957 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313942223 1071619648 /nfs/dbraw/zinc/61/96/48/1071619648.db2.gz OIWBAAXXNMENCC-HXUWFJFHSA-N 1 0 464.614 3.829 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2SC)C[C@H]1C ZINC001313943103 1071621897 /nfs/dbraw/zinc/62/18/97/1071621897.db2.gz PRVJLUGKGUPJEP-MRXNPFEDSA-N 1 0 488.658 3.709 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313942799 1071621428 /nfs/dbraw/zinc/62/14/28/1071621428.db2.gz ODVCETRTRZBNTK-NHCUHLMSSA-N 1 0 486.661 3.857 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)(C)CC)C2)CC1 ZINC001313945617 1071626717 /nfs/dbraw/zinc/62/67/17/1071626717.db2.gz RSPVFJUVFRSSFN-GOSISDBHSA-N 1 0 478.483 3.688 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)c2cccs2)C[C@H]1C ZINC001313943496 1071623173 /nfs/dbraw/zinc/62/31/73/1071623173.db2.gz SEWQRCVJRPIKGL-DVECYGJZSA-N 1 0 455.628 3.665 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001313943444 1071623377 /nfs/dbraw/zinc/62/33/77/1071623377.db2.gz SIARAINFYFWXHR-PGRDOPGGSA-N 1 0 469.584 3.760 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001313946575 1071629118 /nfs/dbraw/zinc/62/91/18/1071629118.db2.gz BNDVKDFEVAIINV-HXUWFJFHSA-N 1 0 494.606 3.970 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2nnc(C)s2)C[C@@H]1C ZINC001313947460 1071632263 /nfs/dbraw/zinc/63/22/63/1071632263.db2.gz HJQZXJPXXNPUAY-INIZCTEOSA-N 1 0 476.050 3.834 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccccc4OC)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313948767 1071633992 /nfs/dbraw/zinc/63/39/92/1071633992.db2.gz RONRTNTVGUDWBA-NFBKMPQASA-N 1 0 486.730 3.948 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccccc4OC)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313948768 1071634158 /nfs/dbraw/zinc/63/41/58/1071634158.db2.gz RONRTNTVGUDWBA-NZQKXSOJSA-N 1 0 486.730 3.948 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccccc3F)nnc2N(C)CC(C)(C)C)CC1 ZINC001313950654 1071639392 /nfs/dbraw/zinc/63/93/92/1071639392.db2.gz BOHSFEMLCKTQIN-FQEVSTJZSA-N 1 0 460.642 3.752 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCCC2(C)C)CC1 ZINC001313949082 1071635259 /nfs/dbraw/zinc/63/52/59/1071635259.db2.gz HMPZPCRLKJAATJ-FQEVSTJZSA-N 1 0 470.662 3.615 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(COc4ccc(F)cc4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001313950236 1071637594 /nfs/dbraw/zinc/63/75/94/1071637594.db2.gz RTKJGKZXSZDBFT-LJQANCHMSA-N 1 0 498.569 3.801 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)nnc2C(C)(C)C)CC1 ZINC001313951047 1071640410 /nfs/dbraw/zinc/64/04/10/1071640410.db2.gz CXKWRXYNDUAVHT-SVMVAKDDSA-N 1 0 471.521 3.869 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)c2ccccc2)C[C@@H]1C ZINC001313951111 1071640525 /nfs/dbraw/zinc/64/05/25/1071640525.db2.gz ZHLBQBNASWIVMI-CLHVYKLBSA-N 1 0 498.672 3.788 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CC=CCC2)CC1 ZINC001313951367 1071641753 /nfs/dbraw/zinc/64/17/53/1071641753.db2.gz HBKBOMLXRAGMQZ-OAQYLSRUSA-N 1 0 470.687 3.619 20 0 JHADRO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC001313952202 1071644345 /nfs/dbraw/zinc/64/43/45/1071644345.db2.gz YFBMCLUMKVJQBQ-GGAORHGYSA-N 1 0 484.664 3.914 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC([C@H]4CC4(F)F)CC3)nnc2C(C)(C)C)CC1 ZINC001313952145 1071644561 /nfs/dbraw/zinc/64/45/61/1071644561.db2.gz NQNOVJOLTPLPMU-AZUAARDMSA-N 1 0 452.638 3.721 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313952591 1071645755 /nfs/dbraw/zinc/64/57/55/1071645755.db2.gz RYMQKOYTXYLPEY-DNVFCKCGSA-N 1 0 476.616 3.879 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3)nnc2N(C)Cc2c(C)noc2C)CC1 ZINC001313952712 1071646644 /nfs/dbraw/zinc/64/66/44/1071646644.db2.gz ANRQZVIJITVTRS-UHFFFAOYSA-N 1 0 451.619 3.604 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3Cl)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001313952789 1071647001 /nfs/dbraw/zinc/64/70/01/1071647001.db2.gz CSVWBBWGNWYQLM-UHFFFAOYSA-N 1 0 485.080 3.695 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001313952973 1071647060 /nfs/dbraw/zinc/64/70/60/1071647060.db2.gz JCSGZQFTIZSOOT-NRFANRHFSA-N 1 0 472.653 3.752 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2CCN(c3ccccc3F)C[C@H]2C)CC1 ZINC001313953712 1071649531 /nfs/dbraw/zinc/64/95/31/1071649531.db2.gz ILRKUQQDIBBHKB-HSZRJFAPSA-N 1 0 485.696 3.749 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cccc(F)c2)CC1 ZINC001313955777 1071656724 /nfs/dbraw/zinc/65/67/24/1071656724.db2.gz IKVMXAXOKVDOBN-IBGZPJMESA-N 1 0 485.677 3.683 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001313955008 1071653645 /nfs/dbraw/zinc/65/36/45/1071653645.db2.gz DEMAGBCUGPLEJF-UKILVPOCSA-N 1 0 498.716 3.690 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313955336 1071655529 /nfs/dbraw/zinc/65/55/29/1071655529.db2.gz RPLSROAAEVRBDR-UXHICEINSA-N 1 0 455.676 3.816 20 0 JHADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc(CC(C)(C)C)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001313956807 1071657856 /nfs/dbraw/zinc/65/78/56/1071657856.db2.gz NGLHBPVWODLVIC-NRFANRHFSA-N 1 0 484.689 3.896 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313957261 1071660156 /nfs/dbraw/zinc/66/01/56/1071660156.db2.gz QCJIZCJSYSMEKL-KNQAVFIVSA-N 1 0 484.718 3.672 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccccc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313958052 1071662893 /nfs/dbraw/zinc/66/28/93/1071662893.db2.gz NYZYFYOMFDNGKO-OAQYLSRUSA-N 1 0 480.579 3.520 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001313958174 1071662913 /nfs/dbraw/zinc/66/29/13/1071662913.db2.gz VBOMLLPFSHRLLH-KMDXXIMOSA-N 1 0 482.717 3.828 20 0 JHADRO CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001313960075 1071668597 /nfs/dbraw/zinc/66/85/97/1071668597.db2.gz HDEJYCZIQMPXFD-UHFFFAOYSA-N 1 0 493.656 3.713 20 0 JHADRO CCn1nc(-c2nnc(N(C)C3CC3)n2CCC[NH+](C(C)C)C(C)C)c2ccccc2c1=O ZINC001313958591 1071664645 /nfs/dbraw/zinc/66/46/45/1071664645.db2.gz CPWJGZUJRGCSIO-UHFFFAOYSA-N 1 0 451.619 3.782 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001313960101 1071668815 /nfs/dbraw/zinc/66/88/15/1071668815.db2.gz DPVDHUPQYONKJU-NOZRDPDXSA-N 1 0 498.716 3.524 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001313959634 1071666913 /nfs/dbraw/zinc/66/69/13/1071666913.db2.gz YLPWRJQOKRLBQC-GOSISDBHSA-N 1 0 453.056 3.509 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001313959852 1071668059 /nfs/dbraw/zinc/66/80/59/1071668059.db2.gz BPXDVGVARRYESN-RUZDIDTESA-N 1 0 498.716 3.753 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3F)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313959855 1071668134 /nfs/dbraw/zinc/66/81/34/1071668134.db2.gz BQWBOVQYDKUXGK-HHHXNRCGSA-N 1 0 486.680 3.677 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@H](C)[C@@H]2C)CC1 ZINC001313961940 1071673886 /nfs/dbraw/zinc/67/38/86/1071673886.db2.gz XEGQMAMERPJENO-MOPGFXCFSA-N 1 0 462.589 3.809 20 0 JHADRO CCn1nc(-c2nnc(N3CCCO[C@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)c2ccccc2c1=O ZINC001313965858 1071685292 /nfs/dbraw/zinc/68/52/92/1071685292.db2.gz GCZLWMLAWOBVKV-OAQYLSRUSA-N 1 0 495.672 3.799 20 0 JHADRO CCn1nc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313966692 1071687341 /nfs/dbraw/zinc/68/73/41/1071687341.db2.gz KPVLXDVLBCSDKN-HHHXNRCGSA-N 1 0 495.672 3.801 20 0 JHADRO CCn1nc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCSCC(C)C)c2ccccc2c1=O ZINC001313968649 1071692538 /nfs/dbraw/zinc/69/25/38/1071692538.db2.gz ZSPUPEJJMJJATR-UHFFFAOYSA-N 1 0 497.713 3.985 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313976671 1071709051 /nfs/dbraw/zinc/70/90/51/1071709051.db2.gz HPJJVTBTCOFHEO-ACIOBRDBSA-N 1 0 482.673 3.781 20 0 JHADRO CCNC(=O)C1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001313977448 1071710759 /nfs/dbraw/zinc/71/07/59/1071710759.db2.gz ZVXXMZWINZQVDO-UHFFFAOYSA-N 1 0 498.672 3.579 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(N3CCC(C[N@H+](C)C(C)C)CC3)nnc2C(C)(C)C)cc1 ZINC001313983967 1071721463 /nfs/dbraw/zinc/72/14/63/1071721463.db2.gz YEHAZSROZQSRMD-UHFFFAOYSA-N 1 0 454.663 3.930 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(COCC)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC001313981581 1071718032 /nfs/dbraw/zinc/71/80/32/1071718032.db2.gz GAWYCGIUABIRAT-UHFFFAOYSA-N 1 0 482.673 3.705 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001313984597 1071721844 /nfs/dbraw/zinc/72/18/44/1071721844.db2.gz BIHSUWSVCQNSDH-JOCHJYFZSA-N 1 0 452.647 3.587 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001313993786 1071728538 /nfs/dbraw/zinc/72/85/38/1071728538.db2.gz NWGYKTFURBXTJA-XZOQPEGZSA-N 1 0 467.662 3.546 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+](CC)C(C)C)CC1 ZINC001313999122 1071736107 /nfs/dbraw/zinc/73/61/07/1071736107.db2.gz HTXJNZMOCKXRSR-UHFFFAOYSA-N 1 0 499.704 3.736 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3)n2C[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001313997266 1071734417 /nfs/dbraw/zinc/73/44/17/1071734417.db2.gz UKQMVTGZZDNFAS-QFIPXVFZSA-N 1 0 481.670 3.941 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001314013612 1071750995 /nfs/dbraw/zinc/75/09/95/1071750995.db2.gz JCHJMUUYYSKIGQ-OAQYLSRUSA-N 1 0 491.640 3.918 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+](C)[C@@H](C)CC)CC1 ZINC001314017527 1071763290 /nfs/dbraw/zinc/76/32/90/1071763290.db2.gz HEXQBWJBCZUNFS-SFHVURJKSA-N 1 0 462.664 3.718 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001314016052 1071758647 /nfs/dbraw/zinc/75/86/47/1071758647.db2.gz GJWDEMYWMXFGIV-QGZVFWFLSA-N 1 0 483.642 3.606 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001314018191 1071764752 /nfs/dbraw/zinc/76/47/52/1071764752.db2.gz ZUCYLBPFHIZDCZ-JAXLGGSGSA-N 1 0 476.666 3.555 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(C3CCC3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001314019815 1071769467 /nfs/dbraw/zinc/76/94/67/1071769467.db2.gz GYDCFGWBKSXWAV-FQEVSTJZSA-N 1 0 454.619 3.735 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001314019967 1071770100 /nfs/dbraw/zinc/77/01/00/1071770100.db2.gz QITRGWBPQZQYSK-UHFFFAOYSA-N 1 0 454.619 3.736 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001314025075 1071785031 /nfs/dbraw/zinc/78/50/31/1071785031.db2.gz JOMHSNMYYIHFDF-UHFFFAOYSA-N 1 0 472.609 3.551 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001314025773 1071786509 /nfs/dbraw/zinc/78/65/09/1071786509.db2.gz DESVFOMBLGJXSL-FCHUYYIVSA-N 1 0 469.634 3.566 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001314028908 1071796751 /nfs/dbraw/zinc/79/67/51/1071796751.db2.gz SVNMKYKTIYBIBW-RLLQIKCJSA-N 1 0 458.607 3.680 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001314029672 1071799278 /nfs/dbraw/zinc/79/92/78/1071799278.db2.gz CSJLFJSAGFGJLG-IFMALSPDSA-N 1 0 479.629 3.519 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314029798 1071799910 /nfs/dbraw/zinc/79/99/10/1071799910.db2.gz BPZKMDZWBNDJFQ-NRFANRHFSA-N 1 0 484.645 3.933 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001314031187 1071804871 /nfs/dbraw/zinc/80/48/71/1071804871.db2.gz GBDJDDVUDOMPFL-RTWAWAEBSA-N 1 0 466.586 3.864 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@H](C)[NH+](C)C)C1 ZINC001314033326 1071812806 /nfs/dbraw/zinc/81/28/06/1071812806.db2.gz NVGZOYLFZALGSA-VQTJNVASSA-N 1 0 496.612 3.782 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2CC[N@H+](C)[C@H](C)CC)C1 ZINC001314034687 1071819252 /nfs/dbraw/zinc/81/92/52/1071819252.db2.gz SXJNPURXOIRAEV-KNQAVFIVSA-N 1 0 456.635 3.953 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001314036505 1071827365 /nfs/dbraw/zinc/82/73/65/1071827365.db2.gz GLEDMZVZZIKSRX-GMAHTHKFSA-N 1 0 498.672 3.714 20 0 JHADRO 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479.547 3.932 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)CCOC1 ZINC001314107873 1072000161 /nfs/dbraw/zinc/00/01/61/1072000161.db2.gz WIHOWPXRYTXHOO-ZEQRLZLVSA-N 1 0 463.692 3.550 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)n2CCOC(C)(C)C)CCOC1 ZINC001314108082 1072000397 /nfs/dbraw/zinc/00/03/97/1072000397.db2.gz UERBANDRPYXQNL-AJTFRIOCSA-N 1 0 485.673 3.846 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[C@@H](C[NH+](CC)CC)C3)n2Cc2ccccc2Cl)CCOC1 ZINC001314114192 1072010871 /nfs/dbraw/zinc/01/08/71/1072010871.db2.gz WVKOAXNNRRFWSZ-CYFREDJKSA-N 1 0 462.038 3.800 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](C)Oc2cccc(F)c2)CCOC1 ZINC001314114492 1072011326 /nfs/dbraw/zinc/01/13/26/1072011326.db2.gz IFOHANQSEGGAAK-UQBPGWFLSA-N 1 0 475.609 3.504 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC[C@@H]3CSC)n2CC[N@H+](C)C2CCCCC2)CCOC1 ZINC001314121490 1072024467 /nfs/dbraw/zinc/02/44/67/1072024467.db2.gz DOOVILVHUSLMKH-NFBKMPQASA-N 1 0 451.681 3.527 20 0 JHADRO 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CCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001306195415 1068586524 /nfs/dbraw/zinc/58/65/24/1068586524.db2.gz PMGACABTEBXHEW-KRWDZBQOSA-N 1 0 489.546 3.784 20 0 JHADRO CCc1nnc(N2CCN([C@@H](C)c3cccc(OC)c3)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001306195465 1068587083 /nfs/dbraw/zinc/58/70/83/1068587083.db2.gz QEGVDMJAZKNJAG-NRFANRHFSA-N 1 0 484.689 3.622 20 0 JHADRO CCc1nnc(N2CCN(c3nc(C)cs3)CC2)n1Cc1ccccc1C[NH+](CC)CC ZINC001306198022 1068590777 /nfs/dbraw/zinc/59/07/77/1068590777.db2.gz GNWDGFBCJAHLPY-UHFFFAOYSA-N 1 0 453.660 3.822 20 0 JHADRO CCc1nnc(N2CCN(c3ccccc3Cl)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001306198852 1068591597 /nfs/dbraw/zinc/59/15/97/1068591597.db2.gz QOQKXJRJXRDJSO-OALUTQOASA-N 1 0 461.054 3.708 20 0 JHADRO CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC1(CCOC)CCCCC1 ZINC001306203359 1068593393 /nfs/dbraw/zinc/59/33/93/1068593393.db2.gz LSEXTSOXOGKYDT-UHFFFAOYSA-N 1 0 460.711 3.822 20 0 JHADRO CCc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001306204057 1068594493 /nfs/dbraw/zinc/59/44/93/1068594493.db2.gz INPANDRLVOZOPF-QHCPKHFHSA-N 1 0 495.697 3.582 20 0 JHADRO CCc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306205846 1068596832 /nfs/dbraw/zinc/59/68/32/1068596832.db2.gz XZYPJAJABWXGAV-SZPZYZBQSA-N 1 0 495.716 3.586 20 0 JHADRO CCc1nnc(N2CCN(Cc3cc(C)on3)CC2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001306208213 1068599581 /nfs/dbraw/zinc/59/95/81/1068599581.db2.gz UVZPLEPLOYDQDA-QHCPKHFHSA-N 1 0 451.619 3.542 20 0 JHADRO CCc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1Cc1ccc2[nH]c(C)cc2c1 ZINC001306208296 1068599924 /nfs/dbraw/zinc/59/99/24/1068599924.db2.gz XXJBODSBDSCSRA-UHFFFAOYSA-N 1 0 464.536 3.770 20 0 JHADRO CCc1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001306219172 1068606823 /nfs/dbraw/zinc/60/68/23/1068606823.db2.gz CIPSKYIYWXMZPH-IEBWSBKVSA-N 1 0 457.579 3.601 20 0 JHADRO CCc1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001306220521 1068607901 /nfs/dbraw/zinc/60/79/01/1068607901.db2.gz YTNUVLIEEVNNPG-OAQYLSRUSA-N 1 0 462.038 3.961 20 0 JHADRO CCc1noc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)CC2)n1 ZINC001306231027 1068617571 /nfs/dbraw/zinc/61/75/71/1068617571.db2.gz XXNQUAVMRMMRHX-OALUTQOASA-N 1 0 472.682 3.525 20 0 JHADRO CCc1noc([C@@H](C)N2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(C[NH+](C)C)c3)CC2)n1 ZINC001306231297 1068618073 /nfs/dbraw/zinc/61/80/73/1068618073.db2.gz BMULCRHHDPMCQF-HXUWFJFHSA-N 1 0 494.688 3.805 20 0 JHADRO CCc1noc([C@H](C)N2CCN(c3nnc(-c4ccccc4)n3C[C@@H](C)[NH+](CC)CC)CC2)n1 ZINC001306231285 1068618145 /nfs/dbraw/zinc/61/81/45/1068618145.db2.gz BGEXYAKUMVWAHX-UXHICEINSA-N 1 0 466.634 3.504 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[NH+]1CCCCC1 ZINC001306243907 1068647369 /nfs/dbraw/zinc/64/73/69/1068647369.db2.gz JZSFOCKZGMRGAZ-LJQANCHMSA-N 1 0 465.429 3.843 20 0 JHADRO 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CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001306262765 1068674605 /nfs/dbraw/zinc/67/46/05/1068674605.db2.gz DAWPLEWULJSDIW-PWIZWCRZSA-N 1 0 457.619 3.936 20 0 JHADRO CC[C@H]1[C@@H](C)CCN1c1nnc(-c2cccc(OC)c2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001306262889 1068674612 /nfs/dbraw/zinc/67/46/12/1068674612.db2.gz DZRFSYNFMBWSGG-URXFXBBRSA-N 1 0 454.663 3.996 20 0 JHADRO COc1ccc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cc1N1CCNC1=O ZINC001306263242 1068675151 /nfs/dbraw/zinc/67/51/51/1068675151.db2.gz HDAQDKZSLFZJHH-UHFFFAOYSA-N 1 0 458.562 3.883 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(CN2CCCC2=O)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001306271422 1068683870 /nfs/dbraw/zinc/68/38/70/1068683870.db2.gz DHGCNNCVSUZZMJ-NFBKMPQASA-N 1 0 452.647 3.914 20 0 JHADRO CC[C@H]1C[C@H](C)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CC[NH+](CC)CC1 ZINC001306303721 1068720640 /nfs/dbraw/zinc/72/06/40/1068720640.db2.gz ZQHDVGAVTQUUJE-MYDTUXCISA-N 1 0 460.711 3.849 20 0 JHADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+](CC)CC ZINC001306304200 1068721559 /nfs/dbraw/zinc/72/15/59/1068721559.db2.gz SQCPAMXYSNDDQG-PWRODBHTSA-N 1 0 478.682 3.943 20 0 JHADRO CC[C@@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001306312974 1068731413 /nfs/dbraw/zinc/73/14/13/1068731413.db2.gz YMWHSASEBIMQSS-WOJBJXKFSA-N 1 0 458.676 3.669 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001306316799 1068736890 /nfs/dbraw/zinc/73/68/90/1068736890.db2.gz GVAYAWHKYTYSBK-FXAWDEMLSA-N 1 0 489.462 3.639 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001306317507 1068738324 /nfs/dbraw/zinc/73/83/24/1068738324.db2.gz JOXBUAUFOSABKR-DHIUTWEWSA-N 1 0 467.662 3.762 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001306318093 1068740542 /nfs/dbraw/zinc/74/05/42/1068740542.db2.gz FCEYLVFACQESNR-MJGOQNOKSA-N 1 0 475.037 3.539 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001306318342 1068741503 /nfs/dbraw/zinc/74/15/03/1068741503.db2.gz FVLFWGXAAYDWNZ-VXKWHMMOSA-N 1 0 459.660 3.613 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306319143 1068743985 /nfs/dbraw/zinc/74/39/85/1068743985.db2.gz JMJMEPFGDKQABJ-HKUYNNGSSA-N 1 0 498.093 3.741 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001306319324 1068744591 /nfs/dbraw/zinc/74/45/91/1068744591.db2.gz KDPNHOJBXDHRAC-UNMCSNQZSA-N 1 0 498.672 3.672 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306319393 1068745283 /nfs/dbraw/zinc/74/52/83/1068745283.db2.gz LAQGRJOSIUCZSP-RTWAWAEBSA-N 1 0 485.677 3.994 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306319644 1068745964 /nfs/dbraw/zinc/74/59/64/1068745964.db2.gz MCUFXKNELXVSNB-SFHVURJKSA-N 1 0 466.552 3.896 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001306319657 1068746122 /nfs/dbraw/zinc/74/61/22/1068746122.db2.gz MGCYWWVAFHEKBJ-FQEVSTJZSA-N 1 0 474.053 3.563 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001306319811 1068747376 /nfs/dbraw/zinc/74/73/76/1068747376.db2.gz XHZLDJWNUNFBRP-IFMALSPDSA-N 1 0 487.718 3.626 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001306320349 1068748850 /nfs/dbraw/zinc/74/88/50/1068748850.db2.gz UKZPSTIIEHZIIK-FQEVSTJZSA-N 1 0 462.589 3.605 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001306320562 1068749521 /nfs/dbraw/zinc/74/95/21/1068749521.db2.gz WNNWVEDZBLLNKH-WOJBJXKFSA-N 1 0 478.563 3.714 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001306321405 1068751801 /nfs/dbraw/zinc/75/18/01/1068751801.db2.gz CCLLRQHBTDLULC-NRFANRHFSA-N 1 0 486.636 3.565 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306322690 1068754251 /nfs/dbraw/zinc/75/42/51/1068754251.db2.gz ILCCDLDXRKCFRF-SFTDATJTSA-N 1 0 470.687 3.845 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001306324129 1068759157 /nfs/dbraw/zinc/75/91/57/1068759157.db2.gz NWXWNHOUJMVMTI-RPWUZVMVSA-N 1 0 481.689 3.517 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001306325564 1068761663 /nfs/dbraw/zinc/76/16/63/1068761663.db2.gz UJPRKDMAVKEYGH-IBGZPJMESA-N 1 0 472.600 3.636 20 0 JHADRO CC[C@@H]1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001306337423 1068773835 /nfs/dbraw/zinc/77/38/35/1068773835.db2.gz QENSBJCZRXEHLQ-NJDAHSKKSA-N 1 0 476.666 3.697 20 0 JHADRO CC[C@H]1CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(O)(CC)CC)C1 ZINC001306337643 1068774233 /nfs/dbraw/zinc/77/42/33/1068774233.db2.gz HBOULITUQJSHJY-QHCPKHFHSA-N 1 0 468.690 3.820 20 0 JHADRO CC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C[NH+](CC)CC)C1 ZINC001306338082 1068774873 /nfs/dbraw/zinc/77/48/73/1068774873.db2.gz WQBBTROKBWFTHE-OFNKIYASSA-N 1 0 473.687 3.697 20 0 JHADRO CC[C@@H]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)[NH+](CC)CC)C1 ZINC001306338531 1068775256 /nfs/dbraw/zinc/77/52/56/1068775256.db2.gz ZVNMIWKOMIAHFC-LEWJYISDSA-N 1 0 454.667 3.809 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306348446 1068785295 /nfs/dbraw/zinc/78/52/95/1068785295.db2.gz UHVUUMQNMITDHP-SVFBPWRDSA-N 1 0 487.645 3.849 20 0 JHADRO CC[C@H]1CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306348448 1068785373 /nfs/dbraw/zinc/78/53/73/1068785373.db2.gz UHVUUMQNMITDHP-ZVDOUQERSA-N 1 0 487.645 3.849 20 0 JHADRO CC[C@H]1CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H](C)[NH+](CC)CC ZINC001306348783 1068785854 /nfs/dbraw/zinc/78/58/54/1068785854.db2.gz RNIIREIVAKGFBB-MOPGFXCFSA-N 1 0 451.619 3.784 20 0 JHADRO CC[C@H]1CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001306352400 1068788895 /nfs/dbraw/zinc/78/88/95/1068788895.db2.gz QPSBTZIAWDLMSY-VQTJNVASSA-N 1 0 476.666 3.840 20 0 JHADRO CC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccco2)[NH+](CC)CC)C1 ZINC001306357876 1068792601 /nfs/dbraw/zinc/79/26/01/1068792601.db2.gz FSIWQDDBHLUKMI-RBUKOAKNSA-N 1 0 451.575 3.838 20 0 JHADRO CC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccco2)[NH+](CC)CC)C1 ZINC001306357694 1068792802 /nfs/dbraw/zinc/79/28/02/1068792802.db2.gz FSIWQDDBHLUKMI-MOPGFXCFSA-N 1 0 451.575 3.838 20 0 JHADRO CC[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)[NH+](CC)CC)C1 ZINC001306363035 1068798904 /nfs/dbraw/zinc/79/89/04/1068798904.db2.gz PSGLKWXAOLWCJV-MJGOQNOKSA-N 1 0 461.680 3.513 20 0 JHADRO CCC1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001306380692 1068811935 /nfs/dbraw/zinc/81/19/35/1068811935.db2.gz BKOPNZIMDOHOQI-UHFFFAOYSA-N 1 0 458.626 3.649 20 0 JHADRO CCC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001306382612 1068814369 /nfs/dbraw/zinc/81/43/69/1068814369.db2.gz BYHIHLPVZXNWLE-DNVJHFABSA-N 1 0 488.721 3.766 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)[NH+](CC)CC)C[C@@H](C)O1 ZINC001306383559 1068815888 /nfs/dbraw/zinc/81/58/88/1068815888.db2.gz DHXXTYCCHSYBAR-RLLQIKCJSA-N 1 0 462.664 3.565 20 0 JHADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC)CC1)[NH+]1CCOCC1 ZINC001306384860 1068818557 /nfs/dbraw/zinc/81/85/57/1068818557.db2.gz ZFQPIHTUSKZBMQ-DEOSSOPVSA-N 1 0 471.694 3.903 20 0 JHADRO CC[C@H]1CN(c2nnc(C(C)C)n2Cc2ccc(C[NH+](CC)CC)cc2)C[C@H]1N1CCOCC1 ZINC001306386965 1068820363 /nfs/dbraw/zinc/82/03/63/1068820363.db2.gz MIIMWRZDHQZLRK-LOSJGSFVSA-N 1 0 468.690 3.839 20 0 JHADRO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCC2CCN(CC(F)(F)F)CC2)CC[N@@H+]1CCOC ZINC001306388222 1068823804 /nfs/dbraw/zinc/82/38/04/1068823804.db2.gz IMDUOQPENHXRIU-FQEVSTJZSA-N 1 0 488.643 3.787 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2C[NH+](CC)CC)C[C@H](C)O1 ZINC001306388726 1068825216 /nfs/dbraw/zinc/82/52/16/1068825216.db2.gz CIPCKSQEQXWURN-NZQKXSOJSA-N 1 0 491.640 3.819 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001306390749 1068829713 /nfs/dbraw/zinc/82/97/13/1068829713.db2.gz UPFCTWHAKLHXCX-XQBPLPMBSA-N 1 0 489.064 3.597 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC001306391904 1068832845 /nfs/dbraw/zinc/83/28/45/1068832845.db2.gz YVNPCYYFDKZOII-PGRDOPGGSA-N 1 0 489.064 3.740 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)c2cccc(C)c2)CC[N@@H+]1CCOC ZINC001306393536 1068835100 /nfs/dbraw/zinc/83/51/00/1068835100.db2.gz SOQIVTDSBFROKU-FYYLOGMGSA-N 1 0 491.640 3.585 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001306394027 1068836186 /nfs/dbraw/zinc/83/61/86/1068836186.db2.gz VLEKCSABYZAGRO-HSZRJFAPSA-N 1 0 468.646 3.884 20 0 JHADRO CC[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCS1 ZINC001306397376 1068848164 /nfs/dbraw/zinc/84/81/64/1068848164.db2.gz MITGRENTTNOCNC-SQJMNOBHSA-N 1 0 495.734 3.540 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCC(C)CC2)C[C@@H](C)O1 ZINC001306398428 1068850734 /nfs/dbraw/zinc/85/07/34/1068850734.db2.gz SAUVXYYDQIMNLP-AEFFLSMTSA-N 1 0 465.440 3.771 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)C[NH+]2CCCC2)CCS1 ZINC001306400005 1068856805 /nfs/dbraw/zinc/85/68/05/1068856805.db2.gz HBEHEKGKZRNJAI-FQEVSTJZSA-N 1 0 491.727 3.802 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)C[C@@H](C)O1 ZINC001306400947 1068859854 /nfs/dbraw/zinc/85/98/54/1068859854.db2.gz PBCNBNFVRKYTCJ-DWQJTFDBSA-N 1 0 463.667 3.803 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOc2ncccc2F)CC[N@@H+]1CCOC ZINC001306400876 1068860052 /nfs/dbraw/zinc/86/00/52/1068860052.db2.gz HGTPVMZEISTJBY-HXUWFJFHSA-N 1 0 488.995 3.759 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCC[C@H](O)C2)CC[N@@H+]1CCOC ZINC001306401535 1068861143 /nfs/dbraw/zinc/86/11/43/1068861143.db2.gz IZHAZEXYMFNLCF-QIJUGHKUSA-N 1 0 462.038 3.697 20 0 JHADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 ZINC001306405070 1068871792 /nfs/dbraw/zinc/87/17/92/1068871792.db2.gz YEQCQTPOOIIFKT-VIZSFHNOSA-N 1 0 475.081 3.876 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](C)OC)CC[N@@H+]1CCOC ZINC001306405506 1068873144 /nfs/dbraw/zinc/87/31/44/1068873144.db2.gz DORUVWPYGOFIRJ-ICSRJNTNSA-N 1 0 461.676 3.857 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H](OC)C2CC2)CC[N@@H+]1CCOC ZINC001306406813 1068878659 /nfs/dbraw/zinc/87/86/59/1068878659.db2.gz PCKJSIOSFPQHIB-SJORKVTESA-N 1 0 498.491 3.741 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC001306407034 1068879678 /nfs/dbraw/zinc/87/96/78/1068879678.db2.gz SZRDVQQGBROHDW-IXDOHACOSA-N 1 0 498.491 3.741 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCOc2cccc(F)c2)CC[N@@H+]1CCOC ZINC001306409001 1068887159 /nfs/dbraw/zinc/88/71/59/1068887159.db2.gz LHADGAVKXZQQSX-FQEVSTJZSA-N 1 0 457.550 3.612 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2ccsc2)CC[N@@H+]1CCOC ZINC001306410693 1068890758 /nfs/dbraw/zinc/89/07/58/1068890758.db2.gz RSVXAXUTHSOJAA-XXBNENTESA-N 1 0 491.061 3.510 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCC[N@H+](C)CCOC)CCS1 ZINC001306411084 1068893734 /nfs/dbraw/zinc/89/37/34/1068893734.db2.gz QSHGVTHOCKKFQW-HXUWFJFHSA-N 1 0 454.644 3.793 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCC[N@H+](C)CCOC)CCS1 ZINC001306411082 1068893848 /nfs/dbraw/zinc/89/38/48/1068893848.db2.gz QSHGVTHOCKKFQW-FQEVSTJZSA-N 1 0 454.644 3.793 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC[N@@H+]1CCOC ZINC001306411094 1068894017 /nfs/dbraw/zinc/89/40/17/1068894017.db2.gz QUCWBEGIEXVOEB-IFMALSPDSA-N 1 0 486.661 3.748 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccccc3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC[N@@H+]1CCOC ZINC001306411741 1068896111 /nfs/dbraw/zinc/89/61/11/1068896111.db2.gz HIUKXIJJQQEJLC-RTWAWAEBSA-N 1 0 486.661 3.714 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@H](C)O1 ZINC001306414011 1068901642 /nfs/dbraw/zinc/90/16/42/1068901642.db2.gz KGMPZYNRPADNGL-RBUKOAKNSA-N 1 0 489.686 3.793 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC001306414823 1068902737 /nfs/dbraw/zinc/90/27/37/1068902737.db2.gz RVLWXKIREOFQET-VAMGGRTRSA-N 1 0 462.038 3.818 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2cccc(Cl)c2C)CC[N@@H+]1CCOC ZINC001306415968 1068904705 /nfs/dbraw/zinc/90/47/05/1068904705.db2.gz FCAHNSXJKZVYLK-NRFANRHFSA-N 1 0 455.006 3.897 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC001306418525 1068909537 /nfs/dbraw/zinc/90/95/37/1068909537.db2.gz UTBUFLQAWSBBST-QFIPXVFZSA-N 1 0 452.628 3.661 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+](CC)CC)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306421776 1068914935 /nfs/dbraw/zinc/91/49/35/1068914935.db2.gz DZRARFFWIBRVGZ-VQTJNVASSA-N 1 0 486.665 3.597 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)c2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC001306425783 1068920400 /nfs/dbraw/zinc/92/04/00/1068920400.db2.gz KRYKSFGTTXCVRL-RQTOMXEWSA-N 1 0 492.064 3.628 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306426567 1068921472 /nfs/dbraw/zinc/92/14/72/1068921472.db2.gz BSRXJWPORGHBIJ-NJYVYQBISA-N 1 0 476.666 3.745 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)Oc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001306427221 1068922901 /nfs/dbraw/zinc/92/29/01/1068922901.db2.gz ZKEFQQBJAYXLCQ-IFMALSPDSA-N 1 0 482.604 3.802 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCC(C)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306429903 1068928571 /nfs/dbraw/zinc/92/85/71/1068928571.db2.gz AYHMWLXIPNJKAS-FSSWDIPSSA-N 1 0 490.693 3.644 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[NH+](CC)CC)C[C@@H]1N1CCOCC1 ZINC001306434864 1068938750 /nfs/dbraw/zinc/93/87/50/1068938750.db2.gz AWHNKXXJBFLUQS-FJIJXJHWSA-N 1 0 489.108 3.800 20 0 JHADRO CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC(F)(F)F)CC[N@@H+]1CCOC ZINC001306437333 1068942093 /nfs/dbraw/zinc/94/20/93/1068942093.db2.gz HWBIEDIIYMUSNE-IBGZPJMESA-N 1 0 457.516 3.898 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC[N@@H+]1CCOC ZINC001306442275 1068950753 /nfs/dbraw/zinc/95/07/53/1068950753.db2.gz ZYNVWYTUOTWRDY-MZYLBHOOSA-N 1 0 476.065 3.620 20 0 JHADRO CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CCc2csc(C(C)(C)C)n2)CC[N@@H+]1CCOC ZINC001306442965 1068952732 /nfs/dbraw/zinc/95/27/32/1068952732.db2.gz AHMMGYTUKXIGTI-QFIPXVFZSA-N 1 0 497.713 3.808 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(Cl)cc2F)CC[N@@H+]1CCOC ZINC001306444041 1068955281 /nfs/dbraw/zinc/95/52/81/1068955281.db2.gz YXIKMKRCWUEJEY-OAQYLSRUSA-N 1 0 472.996 3.652 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CCO1 ZINC001306444304 1068955846 /nfs/dbraw/zinc/95/58/46/1068955846.db2.gz MJBCOABNYVEZML-IFMALSPDSA-N 1 0 470.643 3.561 20 0 JHADRO CC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)C2CCCCC2)CC[N@@H+]1CCOC ZINC001306444531 1068956379 /nfs/dbraw/zinc/95/63/79/1068956379.db2.gz QHSIHJXVOJGBGK-WIOPSUGQSA-N 1 0 490.718 3.512 20 0 JHADRO CC[C@@H]1CN(c2nnc(CC3CC3)n2C[C@H]2CC[N@H+](CC)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306445597 1068958490 /nfs/dbraw/zinc/95/84/90/1068958490.db2.gz ISNMJHVCCNFQQP-PWRODBHTSA-N 1 0 460.667 3.702 20 0 JHADRO CC[C@H]1CN(c2nnc(CC3CCCC3)n2Cc2nnc(C(C)(C)C)s2)CC[N@@H+]1CCOC ZINC001306446946 1068960479 /nfs/dbraw/zinc/96/04/79/1068960479.db2.gz ACNQUNGFBYKNGE-IBGZPJMESA-N 1 0 475.707 3.755 20 0 JHADRO CC[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2Cc2occc2C)CC[N@@H+]1CCOC ZINC001306447930 1068962731 /nfs/dbraw/zinc/96/27/31/1068962731.db2.gz BMEMFPFUBUTCGV-NRFANRHFSA-N 1 0 453.587 3.662 20 0 JHADRO 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COc1cccc(OC(F)(F)F)c1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001311116098 1069277311 /nfs/dbraw/zinc/27/73/11/1069277311.db2.gz HPANOJGYPNGBKF-QGZVFWFLSA-N 1 0 453.461 3.872 20 0 JHADRO C[C@H]([NH2+]C1(CNC(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)CCOCC1)c1ccccc1 ZINC001311173262 1069288985 /nfs/dbraw/zinc/28/89/85/1069288985.db2.gz YZCKLRMXTKJJTI-UUOWRZLLSA-N 1 0 452.555 3.663 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001306616787 1069298775 /nfs/dbraw/zinc/29/87/75/1069298775.db2.gz JIUVDZDCSACYGH-SCTDSRPQSA-N 1 0 495.466 3.540 20 0 JHADRO O=C(Nc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC001311213894 1069299769 /nfs/dbraw/zinc/29/97/69/1069299769.db2.gz PAOSCCJMEIANBK-UHFFFAOYSA-N 1 0 452.342 3.904 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001306618751 1069301707 /nfs/dbraw/zinc/30/17/07/1069301707.db2.gz WKUURQCSCUTEET-HXUWFJFHSA-N 1 0 492.462 3.824 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001306618616 1069302062 /nfs/dbraw/zinc/30/20/62/1069302062.db2.gz GFYBWFQBGPKEBC-UFHPHHKVSA-N 1 0 499.700 3.985 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001306618614 1069302378 /nfs/dbraw/zinc/30/23/78/1069302378.db2.gz GFYBWFQBGPKEBC-CUBQBAPOSA-N 1 0 499.700 3.985 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCC(C)(C)O)CC[N@@H+]1CCOC ZINC001306619790 1069305360 /nfs/dbraw/zinc/30/53/60/1069305360.db2.gz ZRPBLMNZLGJQRS-FQEVSTJZSA-N 1 0 494.478 3.806 20 0 JHADRO CC(C)(C)OC(=O)N1CCn2nc(NC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2C1 ZINC001311241740 1069305553 /nfs/dbraw/zinc/30/55/53/1069305553.db2.gz DNOMMNWEEIITIT-FQEVSTJZSA-N 1 0 454.575 3.592 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(C)c(OC)c2)CC[N@@H+]1CCOC ZINC001306621141 1069309136 /nfs/dbraw/zinc/30/91/36/1069309136.db2.gz MYQUKJUJOKRSHG-QFIPXVFZSA-N 1 0 466.630 3.586 20 0 JHADRO O=C(c1cccnc1N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F)N1CCN(Cc2ccccc2)CC1 ZINC001164387322 718815151 /nfs/dbraw/zinc/81/51/51/718815151.db2.gz FRSFXVIFFBWIHP-DEOSSOPVSA-N 1 0 487.570 3.550 20 0 JHADRO FC(F)(F)[C@H]1N(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)CCC12CC[NH2+]CC2 ZINC001164387591 718815560 /nfs/dbraw/zinc/81/55/60/718815560.db2.gz IMTCUIZZSOTYAO-NRFANRHFSA-N 1 0 481.588 3.523 20 0 JHADRO CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1C ZINC001164403507 718839898 /nfs/dbraw/zinc/83/98/98/718839898.db2.gz KMSLRRSWGAYMNI-QGZVFWFLSA-N 1 0 483.663 3.563 20 0 JHADRO CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1C ZINC001164403506 718840019 /nfs/dbraw/zinc/84/00/19/718840019.db2.gz KMSLRRSWGAYMNI-KRWDZBQOSA-N 1 0 483.663 3.563 20 0 JHADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCCO[C@]5(C[NH2+]CCOC5)C4)c23)c1 ZINC001164422826 718916241 /nfs/dbraw/zinc/91/62/41/718916241.db2.gz BKVJMBONBWAEQW-RUZDIDTESA-N 1 0 499.706 3.991 20 0 JHADRO c1sc2nc(CN3CCCCC3)nc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c2c1-c1ccccc1 ZINC001164426168 718916482 /nfs/dbraw/zinc/91/64/82/718916482.db2.gz XPMNOPSYXVIYSR-MHZLTWQESA-N 1 0 493.677 3.930 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164618213 719007244 /nfs/dbraw/zinc/00/72/44/719007244.db2.gz REJASSGUZRCHBE-HTAPYJJXSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc3c(Cl)ncnc3c1)C2 ZINC001164615941 719007651 /nfs/dbraw/zinc/00/76/51/719007651.db2.gz KBQJZQFMKVKTTR-PGRDOPGGSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164613921 719009340 /nfs/dbraw/zinc/00/93/40/719009340.db2.gz AKRNSULZMOTWOT-JTSKRJEESA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164613926 719009405 /nfs/dbraw/zinc/00/94/05/719009405.db2.gz AKRNSULZMOTWOT-VGSWGCGISA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164620656 719010181 /nfs/dbraw/zinc/01/01/81/719010181.db2.gz ZDQIIIDABYREAX-GAJHUEQPSA-N 1 0 491.970 3.886 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164620760 719010517 /nfs/dbraw/zinc/01/05/17/719010517.db2.gz ZLQJJRKQEOLLCL-UWJYYQICSA-N 1 0 454.949 3.702 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001164615953 719010733 /nfs/dbraw/zinc/01/07/33/719010733.db2.gz KDVPYONUZXDXME-SBUREZEXSA-N 1 0 491.970 3.886 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001164618706 719011873 /nfs/dbraw/zinc/01/18/73/719011873.db2.gz SHTKRDJFCCPPKX-ZUOKHONESA-N 1 0 485.988 3.520 20 0 JHADRO O=C(Nc1nncs1)c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164630926 719101614 /nfs/dbraw/zinc/10/16/14/719101614.db2.gz XRFIJYASHLAIJT-LPHOPBHVSA-N 1 0 454.987 3.940 20 0 JHADRO O=C(Nc1nncs1)c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164630927 719102244 /nfs/dbraw/zinc/10/22/44/719102244.db2.gz XRFIJYASHLAIJT-QFBILLFUSA-N 1 0 454.987 3.940 20 0 JHADRO O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C[C@H]2CCCO[C@@H]21 ZINC001164655940 719326672 /nfs/dbraw/zinc/32/66/72/719326672.db2.gz RWQWWRXLIPFPRT-ZNLUXHQJSA-N 1 0 480.987 3.557 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4c3COC4(C)C)CC2)c2ccccc21 ZINC001164681013 719663610 /nfs/dbraw/zinc/66/36/10/719663610.db2.gz LIURZDAHTGKULF-GOSISDBHSA-N 1 0 498.071 3.989 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(C(=O)NC(C)(C)C)cn3)CC2)c2ccccc21 ZINC001164681108 719669124 /nfs/dbraw/zinc/66/91/24/719669124.db2.gz JOJXKNNEPMHMNC-JOCHJYFZSA-N 1 0 491.680 3.703 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nnc(Cl)c4cccnc43)CC2)c2ccccc21 ZINC001164681540 719669285 /nfs/dbraw/zinc/66/92/85/719669285.db2.gz MPKBZRJLURVMFJ-SFHVURJKSA-N 1 0 479.028 3.772 20 0 JHADRO COc1ccc2c(c1)ncnc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680342 719669405 /nfs/dbraw/zinc/66/94/05/719669405.db2.gz CVSUDTGJVXRXHH-FQEVSTJZSA-N 1 0 473.621 3.732 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nncc4ccc(F)cc43)CC2)c2ccccc21 ZINC001164681227 719671022 /nfs/dbraw/zinc/67/10/22/719671022.db2.gz KSFOAMOQXHPOKK-HXUWFJFHSA-N 1 0 461.585 3.862 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc(C(=O)OC(C)(C)C)n3)CC2)c2ccccc21 ZINC001164683238 719671974 /nfs/dbraw/zinc/67/19/74/719671974.db2.gz RCTSCBSNYVPYBY-HXUWFJFHSA-N 1 0 493.652 3.525 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(C(=O)OC(C)(C)C)n3)CC2)c2ccccc21 ZINC001164683218 719672244 /nfs/dbraw/zinc/67/22/44/719672244.db2.gz RCTSCBSNYVPYBY-FQEVSTJZSA-N 1 0 493.652 3.525 20 0 JHADRO COc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)c1 ZINC001164685985 719673230 /nfs/dbraw/zinc/67/32/30/719673230.db2.gz WIGQPGFLPXLBCE-SFHVURJKSA-N 1 0 457.018 3.837 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C(=O)NC(C)(C)C)ccn3)CC2)c2ccccc21 ZINC001164680061 719674500 /nfs/dbraw/zinc/67/45/00/719674500.db2.gz BEIRONXWERWRJM-JOCHJYFZSA-N 1 0 491.680 3.703 20 0 JHADRO COc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1Cl ZINC001164686807 719675193 /nfs/dbraw/zinc/67/51/93/719675193.db2.gz WYJHPYOZRDNUFB-SFHVURJKSA-N 1 0 457.018 3.837 20 0 JHADRO Cc1noc(-c2cccnc2N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681462 719677347 /nfs/dbraw/zinc/67/73/47/719677347.db2.gz KYEPBVZIBJHFJG-FQEVSTJZSA-N 1 0 474.609 3.533 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(F)c(-c3cc4c(nc(C)n4C(C)C)c(F)c3)n1)CC2 ZINC001164687447 719720929 /nfs/dbraw/zinc/72/09/29/719720929.db2.gz XOSUDOKYOMOMLY-UHFFFAOYSA-N 1 0 497.594 3.842 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)CC2 ZINC001164689403 719752286 /nfs/dbraw/zinc/75/22/86/719752286.db2.gz FLAPWRKWQLCZPM-UHFFFAOYSA-N 1 0 450.370 3.757 20 0 JHADRO Fc1cccnc1N(c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164693275 719758739 /nfs/dbraw/zinc/75/87/39/719758739.db2.gz YXEDPMWNUKTQRT-AFMDSPMNSA-N 1 0 495.002 3.882 20 0 JHADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(S(=O)(=O)NCCC(C)C)cn2)CC3)cs1 ZINC001164693081 719813680 /nfs/dbraw/zinc/81/36/80/719813680.db2.gz TZBVOUOAOWNPRA-UHFFFAOYSA-N 1 0 477.700 3.806 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)C2 ZINC001164807917 720093420 /nfs/dbraw/zinc/09/34/20/720093420.db2.gz GLJANYJKUXJWJM-CPJSRVTESA-N 1 0 467.017 3.713 20 0 JHADRO CCOC(=O)c1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ncc1Cl ZINC001164711582 720097438 /nfs/dbraw/zinc/09/74/38/720097438.db2.gz REMPCCMWKHLMHJ-IBGZPJMESA-N 1 0 458.990 3.814 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3c1CCCC3)CC2 ZINC001164718589 720115157 /nfs/dbraw/zinc/11/51/57/720115157.db2.gz SXFVJUDULDSJKB-HXUWFJFHSA-N 1 0 453.656 3.980 20 0 JHADRO CCOC(=O)/C=C/c1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713564 720128816 /nfs/dbraw/zinc/12/88/16/720128816.db2.gz RZDPOOJEHWVDNH-YIEPXFBBSA-N 1 0 450.583 3.560 20 0 JHADRO CCOC(=O)c1cc2ccc(N3CCC4(C[C@H](COC)[N@H+](Cc5ccccn5)C4)CC3)[nH]c-2n1 ZINC001164710865 720131164 /nfs/dbraw/zinc/13/11/64/720131164.db2.gz FEYBOYOYMXRFOG-OAQYLSRUSA-N 1 0 463.582 3.642 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)c(C(=O)OC)cc1Cl)CC2 ZINC001164713067 720154627 /nfs/dbraw/zinc/15/46/27/720154627.db2.gz PYNZTVYUGOSVMP-IBGZPJMESA-N 1 0 458.990 3.733 20 0 JHADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c2c1 ZINC001164819427 720158027 /nfs/dbraw/zinc/15/80/27/720158027.db2.gz WZDOIJPFZBZONA-MHECFPHRSA-N 1 0 458.990 3.645 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)C2 ZINC001164819460 720190130 /nfs/dbraw/zinc/19/01/30/720190130.db2.gz XFRCOWGPVLCWGA-JXFKEZNVSA-N 1 0 453.921 3.515 20 0 JHADRO COc1cccc(-c2nc3ccccc3c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)n2)c1 ZINC001164717105 720200355 /nfs/dbraw/zinc/20/03/55/720200355.db2.gz SCHKOCZLBYPIAV-VWLOTQADSA-N 1 0 499.619 3.650 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001164813343 720207502 /nfs/dbraw/zinc/20/75/02/720207502.db2.gz OOTOPNVQSUHSBI-LIRRHRJNSA-N 1 0 457.978 3.555 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccncc3)nc3sccc31)CCC2 ZINC001164818328 720242524 /nfs/dbraw/zinc/24/25/24/720242524.db2.gz YMPQFHUMILIHEZ-UHFFFAOYSA-N 1 0 461.595 3.561 20 0 JHADRO COc1cccc(Oc2nc(Cl)ncc2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164817677 720245579 /nfs/dbraw/zinc/24/55/79/720245579.db2.gz SPKWWPQRYJGXFB-UHFFFAOYSA-N 1 0 484.988 3.738 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C(=O)NCc3ccccc3)cc(Cl)n2)CC1 ZINC001164819653 720303536 /nfs/dbraw/zinc/30/35/36/720303536.db2.gz FLVPCYXYGKMWKH-GOTSBHOMSA-N 1 0 496.055 3.577 20 0 JHADRO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164720840 720318754 /nfs/dbraw/zinc/31/87/54/720318754.db2.gz AVJNZTMAEOVUTH-FQEVSTJZSA-N 1 0 478.975 3.674 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)ncc2C(=O)OC(C)(C)C)CC1 ZINC001164824645 720325734 /nfs/dbraw/zinc/32/57/34/720325734.db2.gz CPBSCJYYSLDIFM-OALUTQOASA-N 1 0 463.022 3.602 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)CC1 ZINC001164830267 720336468 /nfs/dbraw/zinc/33/64/68/720336468.db2.gz PIKNUCYHOMXIMQ-RBUKOAKNSA-N 1 0 490.986 3.648 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc(Cl)c2c1 ZINC001164827980 720342269 /nfs/dbraw/zinc/34/22/69/720342269.db2.gz NPSSCHCGNFVTFJ-PMACEKPBSA-N 1 0 493.986 3.748 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3[C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164821743 720345517 /nfs/dbraw/zinc/34/55/17/720345517.db2.gz BQQHHQKORZMJPC-OTNCWRBYSA-N 1 0 488.007 3.836 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(SCc3ccccc3)n2)CC1 ZINC001164827481 720348806 /nfs/dbraw/zinc/34/88/06/720348806.db2.gz MBRQSRXQLSYCIC-YADHBBJMSA-N 1 0 451.640 3.680 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2cccc(F)c2)CC1 ZINC001164821531 720353015 /nfs/dbraw/zinc/35/30/15/720353015.db2.gz AOKYXLLZZGFQHY-UXHICEINSA-N 1 0 473.980 3.973 20 0 JHADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735684 720416696 /nfs/dbraw/zinc/41/66/96/720416696.db2.gz XNAROPAAFVEXLF-OVEVWVGXSA-N 1 0 463.582 3.501 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832474 720518701 /nfs/dbraw/zinc/51/87/01/720518701.db2.gz AYVFQHXJKAPFKO-CEXWTWQISA-N 1 0 480.007 3.849 20 0 JHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001164735500 720524344 /nfs/dbraw/zinc/52/43/44/720524344.db2.gz YSUAKQGNOGXEBD-SFHVURJKSA-N 1 0 465.671 3.560 20 0 JHADRO COC(=O)c1cc2c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH]c(Cl)cc-2n1 ZINC001164833569 720574362 /nfs/dbraw/zinc/57/43/62/720574362.db2.gz AGFULHGEIPOVOW-RZQQEMMASA-N 1 0 456.978 3.577 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc4c(Cl)ncnc4c3)CC[C@@H]21 ZINC001164835319 720585419 /nfs/dbraw/zinc/58/54/19/720585419.db2.gz BDYRWUVHHYOOGI-AYBZRNKSSA-N 1 0 461.948 3.797 20 0 JHADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164835619 720589672 /nfs/dbraw/zinc/58/96/72/720589672.db2.gz BUXJSQMYIHWWSK-JENIJYKNSA-N 1 0 467.948 3.641 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(=O)N4CCC[C@@H](C)C4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839238 720600997 /nfs/dbraw/zinc/60/09/97/720600997.db2.gz MQZSRRCJEPVJGT-AYVPJYCDSA-N 1 0 450.631 3.528 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccc(N5CCOCC5)cc4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841552 720630822 /nfs/dbraw/zinc/63/08/22/720630822.db2.gz TVXVENLUDXPLEL-NRRYGQPISA-N 1 0 487.652 3.555 20 0 JHADRO COc1ccc(CN(C)c2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n2)cc1 ZINC001164842863 720633420 /nfs/dbraw/zinc/63/34/20/720633420.db2.gz WCMWOFUFQZSGSO-JBRSBNLGSA-N 1 0 475.641 3.696 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837339 720637995 /nfs/dbraw/zinc/63/79/95/720637995.db2.gz IBWNSFYUWUPEBO-JENIJYKNSA-N 1 0 482.963 3.946 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001164838122 720661455 /nfs/dbraw/zinc/66/14/55/720661455.db2.gz FLQRNAUEGULDFM-QGZVFWFLSA-N 1 0 464.944 3.639 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)CC2 ZINC001164844936 720687770 /nfs/dbraw/zinc/68/77/70/720687770.db2.gz WQFIMTFQYIVBAS-QFIPXVFZSA-N 1 0 471.605 3.623 20 0 JHADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737272 720707242 /nfs/dbraw/zinc/70/72/42/720707242.db2.gz DYONAJVIJVSIPH-UONOGXRCSA-N 1 0 467.307 3.613 20 0 JHADRO COc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(N2CCCCCC2)n1 ZINC001164836486 720710042 /nfs/dbraw/zinc/71/00/42/720710042.db2.gz BJRAKJOXTGLQET-QFIPXVFZSA-N 1 0 466.630 3.521 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164836985 720722655 /nfs/dbraw/zinc/72/26/55/720722655.db2.gz CKGMSJFLRWEHQZ-MRXNPFEDSA-N 1 0 459.381 3.987 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164844338 720740412 /nfs/dbraw/zinc/74/04/12/720740412.db2.gz PXOIVIISWIGFJQ-UHFFFAOYSA-N 1 0 459.932 3.986 20 0 JHADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844325 720742566 /nfs/dbraw/zinc/74/25/66/720742566.db2.gz PQMHRBXVFBWVTI-UHFFFAOYSA-N 1 0 471.943 3.910 20 0 JHADRO C[NH+]1CCN(c2cccc(N3Cc4ccccc4C4(CCN(C(=O)c5ccco5)CC4)C3)n2)CC1 ZINC001164842131 720745133 /nfs/dbraw/zinc/74/51/33/720745133.db2.gz CSVQJTSZCOBURB-UHFFFAOYSA-N 1 0 471.605 3.621 20 0 JHADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737896 720785532 /nfs/dbraw/zinc/78/55/32/720785532.db2.gz DKOZQXPZUYGVOD-MOPGFXCFSA-N 1 0 474.590 3.637 20 0 JHADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164744105 720818516 /nfs/dbraw/zinc/81/85/16/720818516.db2.gz UFHUWQPCDGVJLJ-JTDSTZFVSA-N 1 0 491.949 3.938 20 0 JHADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746878 720825073 /nfs/dbraw/zinc/82/50/73/720825073.db2.gz ZJJOFCDYLKNBNR-PLMTUMEDSA-N 1 0 473.959 3.799 20 0 JHADRO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742712 720827651 /nfs/dbraw/zinc/82/76/51/720827651.db2.gz QREMNOGPRSJZEL-NJNPRVFISA-N 1 0 452.990 3.868 20 0 JHADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741140 720832434 /nfs/dbraw/zinc/83/24/34/720832434.db2.gz DENUVJYBSXBKBW-NMVJMZGASA-N 1 0 486.599 3.590 20 0 JHADRO CSc1ccc(Oc2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)cc1 ZINC001164748973 720841865 /nfs/dbraw/zinc/84/18/65/720841865.db2.gz VFTMSNCRYUBXLO-ZRCGQRJVSA-N 1 0 477.638 3.962 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)CC[C@@H]2C1 ZINC001164849709 720842172 /nfs/dbraw/zinc/84/21/72/720842172.db2.gz COZIQXGHPWCEIO-CXAGYDPISA-N 1 0 461.340 3.655 20 0 JHADRO Clc1ccc2[nH]c3ncnc(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c3c2c1 ZINC001164739454 720843650 /nfs/dbraw/zinc/84/36/50/720843650.db2.gz AHQCRKRFRSYVLN-DJPFJPOOSA-N 1 0 462.989 3.735 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)CC[C@H]2C1 ZINC001164851813 720848475 /nfs/dbraw/zinc/84/84/75/720848475.db2.gz HZNHKKYHGASQFB-SUMWQHHRSA-N 1 0 461.340 3.655 20 0 JHADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739505 720849201 /nfs/dbraw/zinc/84/92/01/720849201.db2.gz AOVUOHHTSPALEI-SQGPQFPESA-N 1 0 489.958 3.906 20 0 JHADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164753613 720851983 /nfs/dbraw/zinc/85/19/83/720851983.db2.gz YQGLYOBPWOCHBM-XQBPLPMBSA-N 1 0 467.980 3.907 20 0 JHADRO c1csc(-c2noc(-c3ccnc(N4CC[C@@H]5[C@H](C[C@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c3)n2)c1 ZINC001164752642 720853718 /nfs/dbraw/zinc/85/37/18/720853718.db2.gz UADNCUYGXOAHLO-NJDAHSKKSA-N 1 0 488.621 3.831 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)CC[C@@H]2C1 ZINC001164853582 720858949 /nfs/dbraw/zinc/85/89/49/720858949.db2.gz HTKLDNQDXGFGBF-CXAGYDPISA-N 1 0 461.340 3.655 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4F)nc4ccc(C)cc43)CC[C@@H]2C1 ZINC001164855487 720861688 /nfs/dbraw/zinc/86/16/88/720861688.db2.gz MYQAOMJVVVHZPB-DVECYGJZSA-N 1 0 450.558 3.918 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4F)nc4ccc(C)cc43)CC[C@@H]2C1 ZINC001164855488 720861782 /nfs/dbraw/zinc/86/17/82/720861782.db2.gz MYQAOMJVVVHZPB-NTKDMRAZSA-N 1 0 450.558 3.918 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ccn4COCC[Si](C)(C)C)CC[C@@H]2C1 ZINC001164854362 720865792 /nfs/dbraw/zinc/86/57/92/720865792.db2.gz JNTASIPMPNFERU-UYAOXDASSA-N 1 0 496.128 3.571 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(CNC(=O)CC(C)C)nc3C2)nc1 ZINC001164751584 720866675 /nfs/dbraw/zinc/86/66/75/720866675.db2.gz LHYNDBLIEBWJNV-QHCPKHFHSA-N 1 0 480.657 3.648 20 0 JHADRO FC(F)(c1cc(Cl)ncn1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752862 720868458 /nfs/dbraw/zinc/86/84/58/720868458.db2.gz NEGLCRRMFDGOHO-KNQAVFIVSA-N 1 0 463.960 3.825 20 0 JHADRO CCOC(=O)c1ccc(C)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748576 720868520 /nfs/dbraw/zinc/86/85/20/720868520.db2.gz FYDIOKVANADZSS-WNCULLNHSA-N 1 0 464.610 3.717 20 0 JHADRO O=C(c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1)N1CCCCC1 ZINC001164754569 720873703 /nfs/dbraw/zinc/87/37/03/720873703.db2.gz SAWSUXVDIDEMCD-IRPSRAIASA-N 1 0 489.664 3.858 20 0 JHADRO Clc1nc2ncccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752427 720877077 /nfs/dbraw/zinc/87/70/77/720877077.db2.gz MYPLPCBUDAWADZ-NBGIEHNGSA-N 1 0 465.001 3.828 20 0 JHADRO CCOC(=O)c1cc(F)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747969 720877130 /nfs/dbraw/zinc/87/71/30/720877130.db2.gz CZSGVNGBPBFXHG-RLWLMLJZSA-N 1 0 468.573 3.548 20 0 JHADRO FC(F)(c1ccc(Cl)nn1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755495 720878737 /nfs/dbraw/zinc/87/87/37/720878737.db2.gz YAGFFZQBCOVPJY-DENIHFKCSA-N 1 0 463.960 3.825 20 0 JHADRO COc1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164750565 720879123 /nfs/dbraw/zinc/87/91/23/720879123.db2.gz JKLGPZOCLDUOJF-AJTFRIOCSA-N 1 0 459.594 3.789 20 0 JHADRO Clc1nnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ncccc12 ZINC001164757179 720890221 /nfs/dbraw/zinc/89/02/21/720890221.db2.gz UDDRKIHUSFIECC-CJFMBICVSA-N 1 0 465.001 3.828 20 0 JHADRO CCOC(=O)c1cc(C)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757895 720890487 /nfs/dbraw/zinc/89/04/87/720890487.db2.gz WFZSDXBBJIXMTF-HOFKKMOUSA-N 1 0 464.610 3.717 20 0 JHADRO COc1cccc2cnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164756864 720892599 /nfs/dbraw/zinc/89/25/99/720892599.db2.gz RSNYGMHKGVHKJH-HOFKKMOUSA-N 1 0 459.594 3.789 20 0 JHADRO FC(F)(c1cncc(Cl)n1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758862 720899936 /nfs/dbraw/zinc/89/99/36/720899936.db2.gz ZXNOCNUBIUBNOD-UGKGYDQZSA-N 1 0 463.960 3.825 20 0 JHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccnc(N4CCCCC4)n2)C3)c1 ZINC001164750171 720908089 /nfs/dbraw/zinc/90/80/89/720908089.db2.gz JNWWOEZAHQEMIU-RPLLCQBOSA-N 1 0 462.642 3.617 20 0 JHADRO CC(C)COc1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748012 720914628 /nfs/dbraw/zinc/91/46/28/720914628.db2.gz FBCWIDBMTKACLB-OZXSUGGESA-N 1 0 451.615 3.662 20 0 JHADRO CC(C)COc1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748005 720915274 /nfs/dbraw/zinc/91/52/74/720915274.db2.gz FBCWIDBMTKACLB-BVAGGSTKSA-N 1 0 451.615 3.662 20 0 JHADRO Cc1nc(-c2ccncc2)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753274 720920955 /nfs/dbraw/zinc/92/09/55/720920955.db2.gz RFJSJFZQDDXRIB-NAKRPHOHSA-N 1 0 470.621 3.997 20 0 JHADRO Cc1cc2c(ncnc2N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001164858551 720939929 /nfs/dbraw/zinc/93/99/29/720939929.db2.gz JBJZSFBNKOHGEX-IBGZPJMESA-N 1 0 493.637 3.595 20 0 JHADRO CC[C@H]1C(=O)N(C)c2cnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nc2N1C1CCCC1 ZINC001164857028 720961496 /nfs/dbraw/zinc/96/14/96/720961496.db2.gz FPPXLFDGSBUYJX-RXVVDRJESA-N 1 0 480.661 3.599 20 0 JHADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(-c3cccs3)nc3sc4c(c31)CCC4)CC2 ZINC001164753710 720964055 /nfs/dbraw/zinc/96/40/55/720964055.db2.gz IOUJUVRYKDIAMZ-UHFFFAOYSA-N 1 0 494.646 3.751 20 0 JHADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)CC2 ZINC001164754966 720965916 /nfs/dbraw/zinc/96/59/16/720965916.db2.gz ZUDJZZNYXDXMKY-UHFFFAOYSA-N 1 0 493.917 3.928 20 0 JHADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001164758320 721013072 /nfs/dbraw/zinc/01/30/72/721013072.db2.gz IDZWSQSLWWSSRB-FQLPYIGMSA-N 1 0 497.643 3.677 20 0 JHADRO COc1ccc(-c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nn2)c(OC)c1OC ZINC001164857343 721013660 /nfs/dbraw/zinc/01/36/60/721013660.db2.gz DFAWHJAVDFHEOR-KRWDZBQOSA-N 1 0 466.586 3.787 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(C)C[C@@H](COCC4CC4)[C@@H]3CC2)nc1 ZINC001164860332 721030521 /nfs/dbraw/zinc/03/05/21/721030521.db2.gz LHKSVKXLUVMWBY-OJJQZRKESA-N 1 0 454.659 3.976 20 0 JHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164878216 721141400 /nfs/dbraw/zinc/14/14/00/721141400.db2.gz PRSHYMJHSZAMQQ-AKIFATBCSA-N 1 0 458.610 3.883 20 0 JHADRO 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CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164893022 721433440 /nfs/dbraw/zinc/43/34/40/721433440.db2.gz ISTNTFFRSXBEQS-BCHFMIIMSA-N 1 0 487.044 3.830 20 0 JHADRO CCc1nc2sc3c(c2c(N2CC[C@@]4(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O4)n1)CCC3 ZINC001164890759 721433501 /nfs/dbraw/zinc/43/35/01/721433501.db2.gz FEKIXHWDAHHFSZ-IQGLISFBSA-N 1 0 455.672 3.508 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nnc(Cl)c5ccc(Cl)cc54)C3)O2)CC1 ZINC001164897130 721443337 /nfs/dbraw/zinc/44/33/37/721443337.db2.gz SPHIBOJYMHYYQV-JTSKRJEESA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164887995 721447715 /nfs/dbraw/zinc/44/77/15/721447715.db2.gz LLJWRBGVSIIJTE-KXBFYZLASA-N 1 0 465.372 3.579 20 0 JHADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164893303 721448199 /nfs/dbraw/zinc/44/81/99/721448199.db2.gz ZAHHRTANJQFDGQ-SQJMNOBHSA-N 1 0 472.033 3.996 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4F)C3)O2)CC1 ZINC001164884437 721448226 /nfs/dbraw/zinc/44/82/26/721448226.db2.gz BFKNEEUTQXMPNZ-KOSHJBKYSA-N 1 0 475.996 3.827 20 0 JHADRO CCOC(=O)c1cnc(Cl)cc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164784456 721450360 /nfs/dbraw/zinc/45/03/60/721450360.db2.gz FIQFJZJBTYKJSK-LJQANCHMSA-N 1 0 466.022 3.646 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)C3)O2)CC1 ZINC001164890314 721452053 /nfs/dbraw/zinc/45/20/53/721452053.db2.gz QSFTYQZOPXVWDA-FPOVZHCZSA-N 1 0 454.993 3.620 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164788634 721452469 /nfs/dbraw/zinc/45/24/69/721452469.db2.gz RSGLDDNPQHIRSA-OAQYLSRUSA-N 1 0 472.033 3.926 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164783295 721461505 /nfs/dbraw/zinc/46/15/05/721461505.db2.gz DBBGBDDJVSWMRX-OAQYLSRUSA-N 1 0 493.092 3.997 20 0 JHADRO 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CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165027277 721801142 /nfs/dbraw/zinc/80/11/42/721801142.db2.gz VIMYZIGJRIOGBP-KFKAGJAMSA-N 1 0 479.959 3.984 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C[C@H]21 ZINC001165017760 721804997 /nfs/dbraw/zinc/80/49/97/721804997.db2.gz AKNPGQLKKOIYEE-MISYRCLQSA-N 1 0 493.002 3.643 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(CO)ccc3NC(=O)C(C)(C)C)C[C@H]21 ZINC001165020692 721819586 /nfs/dbraw/zinc/81/95/86/721819586.db2.gz CNSZYAQSPXNFDF-JMUQELJHSA-N 1 0 451.615 3.690 20 0 JHADRO Cc1nc(CN2CCOC[C@]3(CN(c4[nH+]ccc5c4ccn5Cc4ccccc4)CCO3)C2)cs1 ZINC001164920166 721829108 /nfs/dbraw/zinc/82/91/08/721829108.db2.gz BQHINORKVXUULY-HHHXNRCGSA-N 1 0 489.645 3.957 20 0 JHADRO CN(C)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(Cl)n1 ZINC001165025059 721829939 /nfs/dbraw/zinc/82/99/39/721829939.db2.gz LINDCNRKWBYDIR-CGTJXYLNSA-N 1 0 450.965 3.873 20 0 JHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncccc2C(=O)N2CCCCC2)CC1 ZINC001165022347 721838017 /nfs/dbraw/zinc/83/80/17/721838017.db2.gz RJILESNFAZPYGD-UHFFFAOYSA-N 1 0 452.599 3.826 20 0 JHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3cc(OC)c(OC)cc32)CC1 ZINC001165020200 721839017 /nfs/dbraw/zinc/83/90/17/721839017.db2.gz FXXUFUFJFLIJFY-UHFFFAOYSA-N 1 0 452.555 3.765 20 0 JHADRO CCOC(=O)c1cc2ncnc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c2s1 ZINC001165020442 721842626 /nfs/dbraw/zinc/84/26/26/721842626.db2.gz DOXVHVCBFBBAGJ-UHFFFAOYSA-N 1 0 470.595 3.986 20 0 JHADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1ccn2COCC[Si](C)(C)C ZINC001164926264 721871361 /nfs/dbraw/zinc/87/13/61/721871361.db2.gz QZLOMVHFKCEHKB-RTBURBONSA-N 1 0 465.118 3.612 20 0 JHADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164934574 721879731 /nfs/dbraw/zinc/87/97/31/721879731.db2.gz SDKNBJQEYXDHBH-NHCUHLMSSA-N 1 0 468.715 3.771 20 0 JHADRO 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CCOC(=O)c1sc2nc(C)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1C ZINC001164962425 722059196 /nfs/dbraw/zinc/05/91/96/722059196.db2.gz RWDTWYQECMCYJE-UHFFFAOYSA-N 1 0 495.649 3.999 20 0 JHADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982766 722105199 /nfs/dbraw/zinc/10/51/99/722105199.db2.gz OVOVISCJTPIRQO-LAUBAEHRSA-N 1 0 459.928 3.950 20 0 JHADRO Cc1nc2sc3c(c2c(N2CCCn4cnc(COCC[NH+](C)C)c4C2)n1)CCCCC3 ZINC001165004451 722256397 /nfs/dbraw/zinc/25/63/97/722256397.db2.gz RZGGUQXGOCCFBU-UHFFFAOYSA-N 1 0 454.644 3.954 20 0 JHADRO COc1cccc(-c2nc3ccccc3c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)n2)c1 ZINC001165003802 722257007 /nfs/dbraw/zinc/25/70/07/722257007.db2.gz IBHXBTKHPONMSX-UHFFFAOYSA-N 1 0 472.593 3.990 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCc2nccs2)CC[N@@H+]1CCOC ZINC001306621933 1069311330 /nfs/dbraw/zinc/31/13/30/1069311330.db2.gz GLMGPSRONJMEKE-SFHVURJKSA-N 1 0 476.050 3.630 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001306624192 1069317514 /nfs/dbraw/zinc/31/75/14/1069317514.db2.gz MLJVJBJGMUGAJO-CUNXSJBXSA-N 1 0 496.656 3.703 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2CC(F)(F)C2)CC[N@@H+]1CCOC ZINC001306624515 1069317864 /nfs/dbraw/zinc/31/78/64/1069317864.db2.gz ZCPARGAMHNZLOJ-GOSISDBHSA-N 1 0 468.980 3.976 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@]2(C)CCCS2)CC[N@@H+]1CCOC ZINC001306624448 1069318175 /nfs/dbraw/zinc/31/81/75/1069318175.db2.gz KDAHQCLDXQTXOD-VIZSFHNOSA-N 1 0 451.681 3.743 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2CC(F)(F)C2)CC[N@@H+]1CCOC ZINC001306624517 1069318233 /nfs/dbraw/zinc/31/82/33/1069318233.db2.gz ZCPARGAMHNZLOJ-SFHVURJKSA-N 1 0 468.980 3.976 20 0 JHADRO COCC(=O)N1CCCc2ccc(NC(=O)N[C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC001311292808 1069318576 /nfs/dbraw/zinc/31/85/76/1069318576.db2.gz UTGQHLXKSOMNNM-DENIHFKCSA-N 1 0 450.583 3.644 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CC2)CC[N@@H+]1CCOC ZINC001306624891 1069318681 /nfs/dbraw/zinc/31/86/81/1069318681.db2.gz MVXVSCWNZLCASL-FGZHOGPDSA-N 1 0 490.693 3.740 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCO[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306626201 1069320562 /nfs/dbraw/zinc/32/05/62/1069320562.db2.gz FIRCUUFFNXWKEJ-QHAWAJNXSA-N 1 0 491.627 3.899 20 0 JHADRO CCS(=O)(=O)c1ccc2oc(NC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)nc2c1 ZINC001311326596 1069324953 /nfs/dbraw/zinc/32/49/53/1069324953.db2.gz GKRLONBIPGTQMJ-UHFFFAOYSA-N 1 0 456.568 3.716 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC[N@@H+]1CCOC ZINC001306628100 1069325553 /nfs/dbraw/zinc/32/55/53/1069325553.db2.gz DEBARKCXXHYXTH-XLGIIRLISA-N 1 0 477.694 3.532 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2cc(F)ccc2SC)CC[N@@H+]1CCOC ZINC001306628544 1069326257 /nfs/dbraw/zinc/32/62/57/1069326257.db2.gz GLWQRNPLJGWGRL-GHTZIAJQSA-N 1 0 477.650 3.628 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(F)c2)CC[N@@H+]1CCOC ZINC001306628551 1069327057 /nfs/dbraw/zinc/32/70/57/1069327057.db2.gz GOTNMQQUSFYKIS-HXUWFJFHSA-N 1 0 461.626 4.000 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC(F)(F)C2)CC[N@@H+]1CCOC ZINC001306629067 1069327588 /nfs/dbraw/zinc/32/75/88/1069327588.db2.gz IFZFAJPVVGYOCJ-SFTDATJTSA-N 1 0 479.620 3.512 20 0 JHADRO COC(=O)c1cc(NC(=O)NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cnc1C ZINC001311340566 1069330137 /nfs/dbraw/zinc/33/01/37/1069330137.db2.gz UJMMJNQGJQDUIT-ROUUACIJSA-N 1 0 454.571 3.507 20 0 JHADRO COc1ccc([C@H](CNC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)[NH+]2CCCC2)cc1 ZINC001311344949 1069331653 /nfs/dbraw/zinc/33/16/53/1069331653.db2.gz JKYYOPDUGUBTMI-DEOSSOPVSA-N 1 0 451.546 3.699 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001306631495 1069332369 /nfs/dbraw/zinc/33/23/69/1069332369.db2.gz UJHNBMGGOPRQMJ-XMMPIXPASA-N 1 0 455.647 3.809 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCn3cc(C)nc32)CC[N@@H+]1CCOC ZINC001306632003 1069333293 /nfs/dbraw/zinc/33/32/93/1069333293.db2.gz VROMGCVUSZLBLP-YADHBBJMSA-N 1 0 471.694 3.886 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)[NH+]2CCCCC2)cc1 ZINC001311349421 1069335657 /nfs/dbraw/zinc/33/56/57/1069335657.db2.gz PFHZUEIRPHHINN-XMMPIXPASA-N 1 0 450.583 3.695 20 0 JHADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC001311352090 1069338251 /nfs/dbraw/zinc/33/82/51/1069338251.db2.gz UQYIAVDXMDSDDY-DEOSSOPVSA-N 1 0 459.034 3.743 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001306634411 1069339630 /nfs/dbraw/zinc/33/96/30/1069339630.db2.gz IGVJOKDWESCLPA-SSGKUCQKSA-N 1 0 477.694 3.703 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc(CC)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)CC1 ZINC001306635084 1069341606 /nfs/dbraw/zinc/34/16/06/1069341606.db2.gz AEUMBSDAQHAWDA-UHFFFAOYSA-N 1 0 467.662 3.858 20 0 JHADRO C[NH+](C)CCCOC1CCN(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC001311360439 1069343847 /nfs/dbraw/zinc/34/38/47/1069343847.db2.gz PHHXITSXRAOZMS-UHFFFAOYSA-N 1 0 450.627 3.892 20 0 JHADRO CCN(C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311366320 1069346634 /nfs/dbraw/zinc/34/66/34/1069346634.db2.gz BDVCMBVRTZJAAM-LOSJGSFVSA-N 1 0 454.590 3.505 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001311369003 1069347705 /nfs/dbraw/zinc/34/77/05/1069347705.db2.gz BQSMVDSRCAGMAL-LJQANCHMSA-N 1 0 452.546 3.595 20 0 JHADRO CC1CCC(O)(CNC(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001311378353 1069352701 /nfs/dbraw/zinc/35/27/01/1069352701.db2.gz KLINXCPEJMTBNP-UHFFFAOYSA-N 1 0 450.627 3.749 20 0 JHADRO CC[C@@H]1[C@@H](NC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001311379852 1069353402 /nfs/dbraw/zinc/35/34/02/1069353402.db2.gz FLKPMLGRBMEFGL-XZOQPEGZSA-N 1 0 473.662 3.594 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2Cc2cccnc2OC)CC[N@@H+]1CCOC ZINC001306647873 1069360367 /nfs/dbraw/zinc/36/03/67/1069360367.db2.gz QAUUAMZKMYSHMX-QFIPXVFZSA-N 1 0 464.614 3.643 20 0 JHADRO C[N@H+](CCCNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC001311401032 1069362242 /nfs/dbraw/zinc/36/22/42/1069362242.db2.gz OUZZDQJBTZYFGG-YADHBBJMSA-N 1 0 466.667 3.745 20 0 JHADRO C[C@H](NC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(OC(F)F)c1 ZINC001311407946 1069365743 /nfs/dbraw/zinc/36/57/43/1069365743.db2.gz AOBAXRHBQBVOGI-HNNXBMFYSA-N 1 0 456.534 3.637 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001311421497 1069369292 /nfs/dbraw/zinc/36/92/92/1069369292.db2.gz CLTVCVDEOPZJMS-UHFFFAOYSA-N 1 0 452.443 3.725 20 0 JHADRO CCCCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001306657035 1069369834 /nfs/dbraw/zinc/36/98/34/1069369834.db2.gz XFIQSKNPRXHPPB-WIOPSUGQSA-N 1 0 496.700 3.989 20 0 JHADRO C[C@H](O)C[C@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001311425355 1069374019 /nfs/dbraw/zinc/37/40/19/1069374019.db2.gz VTEBFKFOANVYIZ-GHTZIAJQSA-N 1 0 456.553 3.553 20 0 JHADRO COCCN(C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CCCC1 ZINC001311423856 1069371955 /nfs/dbraw/zinc/37/19/55/1069371955.db2.gz PLGVFXDNTKMKPB-UHFFFAOYSA-N 1 0 456.553 3.818 20 0 JHADRO CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCO1 ZINC001311453187 1069386110 /nfs/dbraw/zinc/38/61/10/1069386110.db2.gz ZHFZMQYGQOWLML-OAQYLSRUSA-N 1 0 456.553 3.818 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001306664833 1069389996 /nfs/dbraw/zinc/38/99/96/1069389996.db2.gz KJHPZAHDZANSBX-DHIUTWEWSA-N 1 0 474.694 3.521 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306664262 1069387823 /nfs/dbraw/zinc/38/78/23/1069387823.db2.gz GSMHEEMMOLVWFL-AOHZBQACSA-N 1 0 488.721 3.767 20 0 JHADRO CCCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](C1CC1)[NH+](C)C ZINC001306670595 1069397297 /nfs/dbraw/zinc/39/72/97/1069397297.db2.gz FRPOMXAUHPSSLD-OAQYLSRUSA-N 1 0 451.619 3.812 20 0 JHADRO C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)CC1 ZINC001311481228 1069397635 /nfs/dbraw/zinc/39/76/35/1069397635.db2.gz ZVIHCLFPYIPVSA-OAQYLSRUSA-N 1 0 459.635 3.587 20 0 JHADRO CCCCN(C)c1nnc(Cn2nc(C)cc2C)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001306676245 1069400457 /nfs/dbraw/zinc/40/04/57/1069400457.db2.gz FJYUCSMAEMIFHG-UHFFFAOYSA-N 1 0 457.667 3.800 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001306678704 1069403625 /nfs/dbraw/zinc/40/36/25/1069403625.db2.gz BTBUUOUJTYRWLH-UHFFFAOYSA-N 1 0 492.709 3.818 20 0 JHADRO C[NH+](C)CCOc1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001311493651 1069404119 /nfs/dbraw/zinc/40/41/19/1069404119.db2.gz BIOPFLHAASQRAO-BJKOFHAPSA-N 1 0 467.610 3.894 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 ZINC001306679285 1069404244 /nfs/dbraw/zinc/40/42/44/1069404244.db2.gz QAMCVPGJWNEAHJ-QHCPKHFHSA-N 1 0 482.673 3.986 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CC(OCCCc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC001311495430 1069405694 /nfs/dbraw/zinc/40/56/94/1069405694.db2.gz JVDQFOCIAGUEJQ-FGZHOGPDSA-N 1 0 451.611 3.839 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(O)c2)CC1 ZINC001306680134 1069406553 /nfs/dbraw/zinc/40/65/53/1069406553.db2.gz PRZSCPZMPQZGCR-UHFFFAOYSA-N 1 0 465.646 3.842 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001306680216 1069407070 /nfs/dbraw/zinc/40/70/70/1069407070.db2.gz BIWZFKPBFPJDEE-MOPGFXCFSA-N 1 0 477.053 3.860 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)cc2)CC1 ZINC001306680317 1069407269 /nfs/dbraw/zinc/40/72/69/1069407269.db2.gz WNVPIPRSPGCASO-QFIPXVFZSA-N 1 0 456.610 3.559 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001306680674 1069407543 /nfs/dbraw/zinc/40/75/43/1069407543.db2.gz YFBMXDXAGXCVSP-OAQYLSRUSA-N 1 0 462.683 3.630 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001306681546 1069410686 /nfs/dbraw/zinc/41/06/86/1069410686.db2.gz NIDRWEFSDGORJP-XLIONFOSSA-N 1 0 479.467 3.783 20 0 JHADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)cc2)C1 ZINC001311499533 1069408562 /nfs/dbraw/zinc/40/85/62/1069408562.db2.gz YUICGUHRNNPANY-VGSWGCGISA-N 1 0 456.537 3.801 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001306681125 1069409829 /nfs/dbraw/zinc/40/98/29/1069409829.db2.gz JVYGBGSZKOXFLH-UHFFFAOYSA-N 1 0 479.467 3.790 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001306682650 1069414061 /nfs/dbraw/zinc/41/40/61/1069414061.db2.gz KPUFZZYZQXPQCB-ROUUACIJSA-N 1 0 451.930 3.584 20 0 JHADRO CCCC[N@H+](C)CCn1c(C2CCCC2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001306683781 1069418019 /nfs/dbraw/zinc/41/80/19/1069418019.db2.gz AQKRWHFMCLROMD-OYRHEFFESA-N 1 0 460.667 3.971 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001306685849 1069421314 /nfs/dbraw/zinc/42/13/14/1069421314.db2.gz MAIRPTHOIPNGCE-OAQYLSRUSA-N 1 0 489.064 3.520 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001306686934 1069423097 /nfs/dbraw/zinc/42/30/97/1069423097.db2.gz CHFWSESHBBYLOB-JOCHJYFZSA-N 1 0 460.667 3.527 20 0 JHADRO CCCC[N@H+](C)CCn1c(COCC)nnc1N1CCc2cccc(Br)c2C1 ZINC001306688984 1069425964 /nfs/dbraw/zinc/42/59/64/1069425964.db2.gz RGSNXMKIQNJDCB-UHFFFAOYSA-N 1 0 450.425 3.872 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C(C)C)N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001311533705 1069426930 /nfs/dbraw/zinc/42/69/30/1069426930.db2.gz OFBANPNIYFQYLU-NHCUHLMSSA-N 1 0 458.569 3.744 20 0 JHADRO CCCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306691903 1069428904 /nfs/dbraw/zinc/42/89/04/1069428904.db2.gz PFVXNQDSIYHQOP-UXHICEINSA-N 1 0 475.707 3.985 20 0 JHADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC001311544984 1069432362 /nfs/dbraw/zinc/43/23/62/1069432362.db2.gz XCTVRTCFKGWUOU-XMMPIXPASA-N 1 0 450.627 3.896 20 0 JHADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001311559461 1069438102 /nfs/dbraw/zinc/43/81/02/1069438102.db2.gz FSCDMQSDEWSNMI-UHFFFAOYSA-N 1 0 457.018 3.842 20 0 JHADRO COc1ccccc1[C@@H](CNC(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)[NH+]1CCCC1 ZINC001311575440 1069445884 /nfs/dbraw/zinc/44/58/84/1069445884.db2.gz WRHRQCFALCINQK-MQSCRBSSSA-N 1 0 451.567 3.653 20 0 JHADRO CSc1ccccc1OC[C@@H](O)CN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001311578526 1069447470 /nfs/dbraw/zinc/44/74/70/1069447470.db2.gz ODVWBDJAKSELIY-YADHBBJMSA-N 1 0 457.640 3.843 20 0 JHADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001311585155 1069451079 /nfs/dbraw/zinc/45/10/79/1069451079.db2.gz YBQIYTVSIPXLTH-RBUKOAKNSA-N 1 0 454.681 3.825 20 0 JHADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001311585154 1069451198 /nfs/dbraw/zinc/45/11/98/1069451198.db2.gz YBQIYTVSIPXLTH-OALUTQOASA-N 1 0 454.681 3.825 20 0 JHADRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC001311587416 1069451818 /nfs/dbraw/zinc/45/18/18/1069451818.db2.gz BJMODMOLNLIJBB-KRWDZBQOSA-N 1 0 455.990 3.894 20 0 JHADRO O=C(NCCc1nc(Cc2ccccc2)no1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001311589146 1069453089 /nfs/dbraw/zinc/45/30/89/1069453089.db2.gz SFZKUFUCHZZXBW-UHFFFAOYSA-N 1 0 453.974 3.820 20 0 JHADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001311594147 1069455712 /nfs/dbraw/zinc/45/57/12/1069455712.db2.gz FATSJQFQIMZULS-QHCPKHFHSA-N 1 0 458.628 3.644 20 0 JHADRO CCCCn1cc(Cn2c(CC(C)C)nnc2N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(C)n1 ZINC001306721100 1069456734 /nfs/dbraw/zinc/45/67/34/1069456734.db2.gz ZYNOCRQCDZTBFZ-UHFFFAOYSA-N 1 0 484.737 3.825 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnn(C)c1C ZINC001306721756 1069458367 /nfs/dbraw/zinc/45/83/67/1069458367.db2.gz BWRPAMKEWLNHBU-QFIPXVFZSA-N 1 0 450.635 3.981 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001306721820 1069459167 /nfs/dbraw/zinc/45/91/67/1069459167.db2.gz FGCCWRBWJMJFAV-LJQANCHMSA-N 1 0 472.600 3.951 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001306722212 1069459785 /nfs/dbraw/zinc/45/97/85/1069459785.db2.gz IPVOHHYMVYFTSP-QFIPXVFZSA-N 1 0 456.635 3.854 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001306723061 1069462363 /nfs/dbraw/zinc/46/23/63/1069462363.db2.gz NZQVNNMHMVUNPZ-JOCHJYFZSA-N 1 0 450.635 3.981 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001306723189 1069462427 /nfs/dbraw/zinc/46/24/27/1069462427.db2.gz OSVLQUHWNFBGTQ-JOCHJYFZSA-N 1 0 456.635 3.830 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001306723323 1069462874 /nfs/dbraw/zinc/46/28/74/1069462874.db2.gz RNININFGFJPLTL-DQEYMECFSA-N 1 0 482.673 3.503 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C)C1 ZINC001306723277 1069462928 /nfs/dbraw/zinc/46/29/28/1069462928.db2.gz QORPSJWAUQEADP-RBUKOAKNSA-N 1 0 457.648 3.522 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001306724577 1069465709 /nfs/dbraw/zinc/46/57/09/1069465709.db2.gz ZRNUZJSNQUUNJQ-VQTJNVASSA-N 1 0 460.026 3.569 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC)(CC)C1 ZINC001306724895 1069465780 /nfs/dbraw/zinc/46/57/80/1069465780.db2.gz AADRWTDMXPYOPT-NHCUHLMSSA-N 1 0 465.708 3.851 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001306724549 1069465898 /nfs/dbraw/zinc/46/58/98/1069465898.db2.gz YUPOFDXCAZUSFU-PZJWPPBQSA-N 1 0 458.655 3.631 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001306725685 1069466886 /nfs/dbraw/zinc/46/68/86/1069466886.db2.gz GPTYOLUBLARRSO-FDFHNCONSA-N 1 0 476.666 3.542 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306726049 1069467716 /nfs/dbraw/zinc/46/77/16/1069467716.db2.gz JSWZPVUNCJEEGU-MOPGFXCFSA-N 1 0 471.568 3.784 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001306727071 1069471205 /nfs/dbraw/zinc/47/12/05/1069471205.db2.gz CKZCGRRAXSYFAP-KCSJKLDESA-N 1 0 463.667 3.518 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001306726450 1069469501 /nfs/dbraw/zinc/46/95/01/1069469501.db2.gz MMVUEFHRDFQURS-QFIPXVFZSA-N 1 0 456.610 3.597 20 0 JHADRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001311626443 1069476122 /nfs/dbraw/zinc/47/61/22/1069476122.db2.gz VPPNMSILIZILQW-NLFFAJNJSA-N 1 0 452.599 3.671 20 0 JHADRO CCOc1ccccc1Oc1ccc(CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cn1 ZINC001311625269 1069474962 /nfs/dbraw/zinc/47/49/62/1069474962.db2.gz LNBTVBBIGYBMGE-UHFFFAOYSA-N 1 0 454.571 3.669 20 0 JHADRO CCCN(C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001311630850 1069478843 /nfs/dbraw/zinc/47/88/43/1069478843.db2.gz UUMAGQYCDMQFEK-GVAUOCQISA-N 1 0 456.675 3.820 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3ccsc3)n2CC[NH+]2CCSCC2)C1 ZINC001306729735 1069479190 /nfs/dbraw/zinc/47/91/90/1069479190.db2.gz AHCZOGIJTBRCBL-TZIWHRDSSA-N 1 0 490.743 3.500 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1cc(OC)ccc1Br ZINC001311632559 1069479892 /nfs/dbraw/zinc/47/98/92/1069479892.db2.gz HOVNGDGYCPXSHU-DENIHFKCSA-N 1 0 476.415 3.794 20 0 JHADRO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC001311636769 1069482397 /nfs/dbraw/zinc/48/23/97/1069482397.db2.gz LYAPNIKPJUGDBS-DFCKQENNSA-N 1 0 450.627 3.578 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(CC(C)C)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306730541 1069482513 /nfs/dbraw/zinc/48/25/13/1069482513.db2.gz JZMZKKFKLRTMRI-RTWAWAEBSA-N 1 0 478.751 3.825 20 0 JHADRO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)N2CCOCC2)cc1 ZINC001311638364 1069483858 /nfs/dbraw/zinc/48/38/58/1069483858.db2.gz YIALLRDLQQUVJI-WPFOTENUSA-N 1 0 456.656 3.812 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001306731205 1069484980 /nfs/dbraw/zinc/48/49/80/1069484980.db2.gz DQNCBZRNNOOLMV-ICDZXHCJSA-N 1 0 495.716 3.906 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCSCC2)C1 ZINC001306731791 1069487352 /nfs/dbraw/zinc/48/73/52/1069487352.db2.gz FZJGXUWLOYNFKB-ISKFKSNPSA-N 1 0 498.741 3.747 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001306732028 1069488223 /nfs/dbraw/zinc/48/82/23/1069488223.db2.gz KUWRSUKRKYPARE-RQNQAMLKSA-N 1 0 484.714 3.904 20 0 JHADRO C[NH+](C)C[C@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1 ZINC001311652198 1069489726 /nfs/dbraw/zinc/48/97/26/1069489726.db2.gz HXLNRQSHMGZOFD-SFHVURJKSA-N 1 0 451.340 3.519 20 0 JHADRO O=C(CCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC001311654359 1069490191 /nfs/dbraw/zinc/49/01/91/1069490191.db2.gz PUERZXXFXKTNCA-FQEVSTJZSA-N 1 0 459.388 3.742 20 0 JHADRO Cc1nccn1-c1ncccc1CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001311658823 1069491829 /nfs/dbraw/zinc/49/18/29/1069491829.db2.gz XRBGZKKUJROBOX-UTKZUKDTSA-N 1 0 456.953 3.860 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001306733308 1069492737 /nfs/dbraw/zinc/49/27/37/1069492737.db2.gz NHTBBNXYJXJGIW-QZNHQXDQSA-N 1 0 482.673 3.817 20 0 JHADRO C[C@@H]1CN(Cc2cccc(CNC(=O)N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664101 1069493314 /nfs/dbraw/zinc/49/33/14/1069493314.db2.gz IAECMVVCDNITDB-XZOQPEGZSA-N 1 0 450.627 3.713 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306733562 1069493331 /nfs/dbraw/zinc/49/33/31/1069493331.db2.gz KLWKNGBIXFPWTC-RBZQAINGSA-N 1 0 495.716 3.906 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001306734552 1069496940 /nfs/dbraw/zinc/49/69/40/1069496940.db2.gz DHHKSRVQZFMWLM-UGKGYDQZSA-N 1 0 456.610 3.557 20 0 JHADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC001311671112 1069497441 /nfs/dbraw/zinc/49/74/41/1069497441.db2.gz PLLATWRVTIGNCM-KURKYZTESA-N 1 0 458.582 3.601 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001306739707 1069512391 /nfs/dbraw/zinc/51/23/91/1069512391.db2.gz DDZWLGBOHDTCCN-FQEVSTJZSA-N 1 0 455.651 3.528 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718799 1069517974 /nfs/dbraw/zinc/51/79/74/1069517974.db2.gz JKKQOWWIDZHXLW-DCXXXQMHSA-N 1 0 458.569 3.885 20 0 JHADRO COC(=O)c1ccc2c(c1)OCCN(C(=O)NCc1ccc(C[NH+]3CCCCCC3)cc1)C2 ZINC001311727347 1069523635 /nfs/dbraw/zinc/52/36/35/1069523635.db2.gz ONRLNIUZGFWNJN-UHFFFAOYSA-N 1 0 451.567 3.953 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001306747216 1069533901 /nfs/dbraw/zinc/53/39/01/1069533901.db2.gz ZHBFBEULSKGOFY-HSZRJFAPSA-N 1 0 474.694 3.774 20 0 JHADRO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)NC[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001311747750 1069531537 /nfs/dbraw/zinc/53/15/37/1069531537.db2.gz LTPPGFVFCXLQQK-UFPGJGBJSA-N 1 0 456.631 3.987 20 0 JHADRO O=C(Nc1ccccc1O)C1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001311749225 1069532034 /nfs/dbraw/zinc/53/20/34/1069532034.db2.gz QKPYODXHENKRRD-NRFANRHFSA-N 1 0 450.583 3.665 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001306748511 1069538478 /nfs/dbraw/zinc/53/84/78/1069538478.db2.gz HSLCSDJQVXKYMH-NRFANRHFSA-N 1 0 498.672 3.579 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)C[C@H]1c1ccccc1 ZINC001311757648 1069534935 /nfs/dbraw/zinc/53/49/35/1069534935.db2.gz BBEOLHLTUOULLC-LOSJGSFVSA-N 1 0 465.594 3.505 20 0 JHADRO CCN(C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311761360 1069536333 /nfs/dbraw/zinc/53/63/33/1069536333.db2.gz JVQYQCQZXWZDHL-DQEYMECFSA-N 1 0 454.590 3.505 20 0 JHADRO CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001311791030 1069546511 /nfs/dbraw/zinc/54/65/11/1069546511.db2.gz LUEVKBKRQRKQKP-HXUWFJFHSA-N 1 0 454.036 3.855 20 0 JHADRO COCCC[NH+]1CCC(NC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)CC1 ZINC001311806804 1069553276 /nfs/dbraw/zinc/55/32/76/1069553276.db2.gz WXZLAVJIXQCHQM-UHFFFAOYSA-N 1 0 457.525 3.580 20 0 JHADRO O=C(NCC1CC[NH+](C2CC2)CC1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC001311802709 1069552200 /nfs/dbraw/zinc/55/22/00/1069552200.db2.gz WGXZSACWVDXTFX-UHFFFAOYSA-N 1 0 450.421 3.671 20 0 JHADRO C[C@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1noc(-c2ccccc2)n1 ZINC001311819012 1069558637 /nfs/dbraw/zinc/55/86/37/1069558637.db2.gz CHQMNOMPFCAXMN-IRXDYDNUSA-N 1 0 452.534 3.749 20 0 JHADRO C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311820539 1069559804 /nfs/dbraw/zinc/55/98/04/1069559804.db2.gz RZRQQDFIRKJNJM-ASUYLVSUSA-N 1 0 450.480 3.911 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NC[C@H](OC)c2cccc(OC)c2)CC1 ZINC001311821252 1069560974 /nfs/dbraw/zinc/56/09/74/1069560974.db2.gz BSACZESGKFRMJU-UUOWRZLLSA-N 1 0 458.578 3.724 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NC[C@]2(C)COc3ccccc3O2)CC1 ZINC001311822632 1069561680 /nfs/dbraw/zinc/56/16/80/1069561680.db2.gz PWHBKAFINVOWIH-IQGLISFBSA-N 1 0 456.562 3.558 20 0 JHADRO CCCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306766607 1069568009 /nfs/dbraw/zinc/56/80/09/1069568009.db2.gz KHXMNCJBJIYHMS-UHFFFAOYSA-N 1 0 456.454 3.851 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2COCCO2)C1 ZINC001306780229 1069576755 /nfs/dbraw/zinc/57/67/55/1069576755.db2.gz MDSXFNAGMWQMIC-NNMXDRDESA-N 1 0 478.037 3.655 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C(C)C)CC2)C1 ZINC001306783197 1069581871 /nfs/dbraw/zinc/58/18/71/1069581871.db2.gz YWXVKWXFWVCCRK-FQEVSTJZSA-N 1 0 473.687 3.953 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001306781476 1069579390 /nfs/dbraw/zinc/57/93/90/1069579390.db2.gz ISOMAJUVVIMCFH-FKBYEOEOSA-N 1 0 490.693 3.597 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C1 ZINC001306782027 1069580362 /nfs/dbraw/zinc/58/03/62/1069580362.db2.gz ITHQSHYAPVEZIR-JTHBVZDNSA-N 1 0 482.673 3.910 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC001306782025 1069580399 /nfs/dbraw/zinc/58/03/99/1069580399.db2.gz ITHQSHYAPVEZIR-GGAORHGYSA-N 1 0 482.673 3.910 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C3CCCC3)n2CCNC(=O)c2ccccc2F)C1 ZINC001306782081 1069580409 /nfs/dbraw/zinc/58/04/09/1069580409.db2.gz KJGVCDDMESEJNG-IBGZPJMESA-N 1 0 456.610 3.673 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C3CCCC3)n2CCNC(=O)c2ccccc2F)C1 ZINC001306782082 1069580532 /nfs/dbraw/zinc/58/05/32/1069580532.db2.gz KJGVCDDMESEJNG-LJQANCHMSA-N 1 0 456.610 3.673 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(C)nc2)C1 ZINC001306782710 1069580944 /nfs/dbraw/zinc/58/09/44/1069580944.db2.gz FXDGLJPPJKLONX-OAQYLSRUSA-N 1 0 464.614 3.882 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C3CC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C1 ZINC001306783106 1069581614 /nfs/dbraw/zinc/58/16/14/1069581614.db2.gz NDOUGPHJGQRQHL-HXUWFJFHSA-N 1 0 453.635 3.902 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(Cl)c2)C1 ZINC001306786231 1069588642 /nfs/dbraw/zinc/58/86/42/1069588642.db2.gz UPYQOOJEAFMHPJ-SFHVURJKSA-N 1 0 455.994 3.614 20 0 JHADRO C[NH+]1CCN(C[C@H](NC(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)c2ccccc2)CC1 ZINC001311864809 1069587236 /nfs/dbraw/zinc/58/72/36/1069587236.db2.gz QIZKEFASMMLOQP-GVAUOCQISA-N 1 0 450.627 3.658 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001306785728 1069587425 /nfs/dbraw/zinc/58/74/25/1069587425.db2.gz SEFZFCJNENHJBU-OAQYLSRUSA-N 1 0 484.645 3.600 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C3CCC3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001306785715 1069587473 /nfs/dbraw/zinc/58/74/73/1069587473.db2.gz WSVNEVPODANJOC-HXUWFJFHSA-N 1 0 453.635 3.856 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCCS2(=O)=O)C1 ZINC001306785731 1069587500 /nfs/dbraw/zinc/58/75/00/1069587500.db2.gz SEWSAWJQTWTZAP-MOPGFXCFSA-N 1 0 480.078 3.734 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)C1 ZINC001306785827 1069588013 /nfs/dbraw/zinc/58/80/13/1069588013.db2.gz QRDPWPXKKHYHIR-BJLXPSRBSA-N 1 0 450.052 3.678 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([S@](C)=O)CC2)C1 ZINC001306786954 1069590352 /nfs/dbraw/zinc/59/03/52/1069590352.db2.gz YTAKOLOWBVEXSM-IQVDJAOASA-N 1 0 480.078 3.686 20 0 JHADRO O=C(NCc1ccc(N2CCNC2=O)cc1)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001311873456 1069590693 /nfs/dbraw/zinc/59/06/93/1069590693.db2.gz WGJADZJSZMLPAZ-JOCHJYFZSA-N 1 0 455.990 3.724 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)NC2CCCCC2)C1 ZINC001306790009 1069596036 /nfs/dbraw/zinc/59/60/36/1069596036.db2.gz ZWNKJFFXOLAWCV-JOCHJYFZSA-N 1 0 466.674 3.794 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001306790028 1069596107 /nfs/dbraw/zinc/59/61/07/1069596107.db2.gz UNHDBXSSHRPNFJ-UXHICEINSA-N 1 0 484.636 3.983 20 0 JHADRO CC(=O)Nc1cccc(OCCNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1 ZINC001311895905 1069602516 /nfs/dbraw/zinc/60/25/16/1069602516.db2.gz NUNNOZSRIPPIBM-FQEVSTJZSA-N 1 0 453.370 3.933 20 0 JHADRO CCCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001306797409 1069602885 /nfs/dbraw/zinc/60/28/85/1069602885.db2.gz UWCSMIPRWSFYBR-QFIPXVFZSA-N 1 0 454.667 3.953 20 0 JHADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC001311888756 1069599025 /nfs/dbraw/zinc/59/90/25/1069599025.db2.gz WPTDJIKEJBHIOU-GJZGRUSLSA-N 1 0 450.381 3.980 20 0 JHADRO CCCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001306793796 1069600397 /nfs/dbraw/zinc/60/03/97/1069600397.db2.gz BBPDFUUOSGQZFD-PMACEKPBSA-N 1 0 464.655 3.555 20 0 JHADRO CCO[C@@]1(c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2Cc2ccccc2C[NH+](CC)CC)CCOC1 ZINC001314146711 1069601167 /nfs/dbraw/zinc/60/11/67/1069601167.db2.gz VXSFTSMXKFEBJQ-WPWBMXPQSA-N 1 0 459.610 3.615 20 0 JHADRO CCC[N@H+](CC)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001306798221 1069603639 /nfs/dbraw/zinc/60/36/39/1069603639.db2.gz PYUIXIMPSKTVEA-UHFFFAOYSA-N 1 0 465.577 3.668 20 0 JHADRO Cc1cccc(COc2c(C)cc(CN(C)C(=O)N[C@H](C)CN3CC[NH+](C)CC3)cc2C)c1 ZINC001311898284 1069604178 /nfs/dbraw/zinc/60/41/78/1069604178.db2.gz TVBBRSPFYRACSR-HSZRJFAPSA-N 1 0 452.643 3.968 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccccc2F)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001306802454 1069608658 /nfs/dbraw/zinc/60/86/58/1069608658.db2.gz KQFYZMLYNYIEKZ-UHFFFAOYSA-N 1 0 483.611 3.991 20 0 JHADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001311902167 1069606052 /nfs/dbraw/zinc/60/60/52/1069606052.db2.gz MNPYGXJPJZRBGG-IFMALSPDSA-N 1 0 457.022 3.668 20 0 JHADRO CCc1cc(N2CCC[C@@H](NC(=O)N[C@H]3CCCCC[N@H+](Cc4ccccc4)C3)C2)ncn1 ZINC001311903752 1069606732 /nfs/dbraw/zinc/60/67/32/1069606732.db2.gz SBBHAOKRRAQSEA-BJKOFHAPSA-N 1 0 450.631 3.752 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCOC1 ZINC001314150722 1069611285 /nfs/dbraw/zinc/61/12/85/1069611285.db2.gz HSEALCRZJVVJRF-SBZFUYPRSA-N 1 0 471.646 3.673 20 0 JHADRO CCC[N@H+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@H]1CC ZINC001306803783 1069612140 /nfs/dbraw/zinc/61/21/40/1069612140.db2.gz GNAMHWBQVJCHDR-RBBKRZOGSA-N 1 0 454.667 3.809 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CCc2cc(OC)c(OC)cc2C1 ZINC001306803847 1069612160 /nfs/dbraw/zinc/61/21/60/1069612160.db2.gz DWTKBUKGZGCPCS-UHFFFAOYSA-N 1 0 464.614 3.960 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@H]1C ZINC001306803890 1069613116 /nfs/dbraw/zinc/61/31/16/1069613116.db2.gz GCMKTCLLKAUGEV-RBUKOAKNSA-N 1 0 451.619 3.642 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 ZINC001306804038 1069613126 /nfs/dbraw/zinc/61/31/26/1069613126.db2.gz JDQVOQCUIODSIJ-HSZRJFAPSA-N 1 0 456.635 3.587 20 0 JHADRO CCC[N@H+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001306805252 1069615747 /nfs/dbraw/zinc/61/57/47/1069615747.db2.gz WRKIVWXNAQFQAZ-SANMLTNESA-N 1 0 484.693 3.579 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001306805674 1069616370 /nfs/dbraw/zinc/61/63/70/1069616370.db2.gz BSHNIYLLRZLOAI-QHCPKHFHSA-N 1 0 452.578 3.713 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001306806581 1069619556 /nfs/dbraw/zinc/61/95/56/1069619556.db2.gz FODVSSKOUYODPQ-NRFANRHFSA-N 1 0 451.623 3.525 20 0 JHADRO CCC[N@H+](CC)CCn1c(CCc2ccccc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001306806007 1069617860 /nfs/dbraw/zinc/61/78/60/1069617860.db2.gz DPGWGQOTBAUNEE-UHFFFAOYSA-N 1 0 483.730 3.799 20 0 JHADRO CCC[N@H+](CC)CCn1c(COc2ccc(Br)cc2)nnc1N1CCCO[C@H](C)C1 ZINC001306806192 1069618035 /nfs/dbraw/zinc/61/80/35/1069618035.db2.gz HORAZSWWXQOVOA-GOSISDBHSA-N 1 0 480.451 3.967 20 0 JHADRO CCOC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CCCC1 ZINC001314153317 1069620655 /nfs/dbraw/zinc/62/06/55/1069620655.db2.gz SZPCGRGNVNUESI-QFIPXVFZSA-N 1 0 482.673 3.866 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 ZINC001306807100 1069620736 /nfs/dbraw/zinc/62/07/36/1069620736.db2.gz OGZMTPVXQQYOMN-HXUWFJFHSA-N 1 0 490.008 3.608 20 0 JHADRO CCC[N@H+](CC)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001306807667 1069622325 /nfs/dbraw/zinc/62/23/25/1069622325.db2.gz ZGGUJHKPRDDJSM-NBGIEHNGSA-N 1 0 475.609 3.502 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)n2C[C@@H](C)[NH+](CC)CC)CCOC1 ZINC001314154324 1069622941 /nfs/dbraw/zinc/62/29/41/1069622941.db2.gz ZSKVTIYIGCPFHR-RFEOYDEGSA-N 1 0 489.636 3.766 20 0 JHADRO CCOc1cc(C)ccc1Cn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001314156650 1069629044 /nfs/dbraw/zinc/62/90/44/1069629044.db2.gz IVWUAWQGDAYGOO-OTNCWRBYSA-N 1 0 496.700 3.926 20 0 JHADRO CCCN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001306812955 1069633804 /nfs/dbraw/zinc/63/38/04/1069633804.db2.gz JLQZHWAVVCKACO-IBGZPJMESA-N 1 0 495.640 3.749 20 0 JHADRO O=C(Nc1ccccc1)Nc1cccc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC001311955358 1069634753 /nfs/dbraw/zinc/63/47/53/1069634753.db2.gz NLAJDMXGBKKLFF-OAQYLSRUSA-N 1 0 451.571 3.584 20 0 JHADRO Cc1cc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001306826340 1069645772 /nfs/dbraw/zinc/64/57/72/1069645772.db2.gz LALFKPOSSINACN-DEOSSOPVSA-N 1 0 450.583 3.895 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1(C)C ZINC001311965774 1069641228 /nfs/dbraw/zinc/64/12/28/1069641228.db2.gz SJDVJFLCSDHEFP-UHFFFAOYSA-N 1 0 454.681 3.779 20 0 JHADRO CCOc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3C[C@]3([NH+](C)C)CCC[C@@H](C)C3)CC2)n1 ZINC001314160883 1069645990 /nfs/dbraw/zinc/64/59/90/1069645990.db2.gz YTCJUUVVGZKPEN-IBVKSMDESA-N 1 0 484.693 3.736 20 0 JHADRO COc1ccc([C@@H](C)CCNC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)cc1 ZINC001311978258 1069647692 /nfs/dbraw/zinc/64/76/92/1069647692.db2.gz LKQQTWBFSMZSPC-NRFANRHFSA-N 1 0 454.615 3.661 20 0 JHADRO Cc1ccc(CNC(=O)C2CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC001311988638 1069652262 /nfs/dbraw/zinc/65/22/62/1069652262.db2.gz JJYIPGDFAPSVJR-HXUWFJFHSA-N 1 0 454.590 3.692 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CC[N@@H+]2CCCC[C@H]2CC)cc1OC ZINC001314163096 1069654120 /nfs/dbraw/zinc/65/41/20/1069654120.db2.gz DFEVRTQBBZGNIV-RTWAWAEBSA-N 1 0 457.619 3.842 20 0 JHADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N[C@@H]1COc2c(F)cc(F)cc2C1 ZINC001311998215 1069658797 /nfs/dbraw/zinc/65/87/97/1069658797.db2.gz NDEKLIBUBGZNQP-ROUUACIJSA-N 1 0 455.427 3.861 20 0 JHADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001312007622 1069665330 /nfs/dbraw/zinc/66/53/30/1069665330.db2.gz FFOHRZMDDLEVLY-UYAOXDASSA-N 1 0 454.537 3.920 20 0 JHADRO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1nc2ccccc2s1 ZINC001312009745 1069666606 /nfs/dbraw/zinc/66/66/06/1069666606.db2.gz MKLMTBSWXAARKN-INIZCTEOSA-N 1 0 451.596 3.554 20 0 JHADRO COc1cc([C@@H](C)NC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)ccc1S(C)(=O)=O ZINC001312011330 1069668236 /nfs/dbraw/zinc/66/82/36/1069668236.db2.gz HQFKKTZQUVRDAZ-NQIIRXRSSA-N 1 0 459.612 3.686 20 0 JHADRO O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001312013231 1069670290 /nfs/dbraw/zinc/67/02/90/1069670290.db2.gz SJIRINZDALOHOD-DHIUTWEWSA-N 1 0 453.562 3.958 20 0 JHADRO COc1cccc([C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c2ccccc2Cl)c1 ZINC001312015336 1069671523 /nfs/dbraw/zinc/67/15/23/1069671523.db2.gz DXCWAJRFHFTIQV-YADARESESA-N 1 0 457.018 3.906 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2CC2(O)CCCCC2)cc1OC ZINC001314168646 1069673017 /nfs/dbraw/zinc/67/30/17/1069673017.db2.gz QVJHJWGYCQVMPE-VQTJNVASSA-N 1 0 471.646 3.967 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(COC)CC3)n2C[C@H]2CC[N@H+](CC)C2)cc1OC ZINC001314170414 1069681111 /nfs/dbraw/zinc/68/11/11/1069681111.db2.gz NOMMQNLMMAELNO-FQEVSTJZSA-N 1 0 457.619 3.557 20 0 JHADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)N2CCC[C@H](OCC3CC3)C2)CC1 ZINC001312025084 1069678208 /nfs/dbraw/zinc/67/82/08/1069678208.db2.gz JECRVZFETVMWSL-FQEVSTJZSA-N 1 0 454.537 3.558 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2Cc2nnc(CC)s2)cc1OC ZINC001314170079 1069679204 /nfs/dbraw/zinc/67/92/04/1069679204.db2.gz YCODBQBOBMUKBZ-IRXDYDNUSA-N 1 0 485.658 3.734 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H](COC)C3)n2C[C@H]2CCCC[N@@H+]2CC)cc1OC ZINC001314170869 1069682844 /nfs/dbraw/zinc/68/28/44/1069682844.db2.gz VYRAKIOMNZNETK-TZIWHRDSSA-N 1 0 457.619 3.700 20 0 JHADRO CC[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)Cc1cccc(Br)c1 ZINC001312030519 1069684357 /nfs/dbraw/zinc/68/43/57/1069684357.db2.gz IUVQMBQBAATHHS-QUCCMNQESA-N 1 0 452.437 3.772 20 0 JHADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H](Cc2ccccc2)c2ccccc2F)CC1 ZINC001312033916 1069685579 /nfs/dbraw/zinc/68/55/79/1069685579.db2.gz OWHLMTZKHJKENC-HSZRJFAPSA-N 1 0 452.574 3.625 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001312034466 1069686353 /nfs/dbraw/zinc/68/63/53/1069686353.db2.gz FMNYPTXTYBVVNV-VGSWGCGISA-N 1 0 458.603 3.821 20 0 JHADRO Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC001312036446 1069686936 /nfs/dbraw/zinc/68/69/36/1069686936.db2.gz MDXUPYGIODJXRO-OZXSUGGESA-N 1 0 451.611 3.741 20 0 JHADRO COCCN(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001312038411 1069686972 /nfs/dbraw/zinc/68/69/72/1069686972.db2.gz VXEQPPRSUHWZMI-MSOLQXFVSA-N 1 0 457.537 3.925 20 0 JHADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001312047981 1069691700 /nfs/dbraw/zinc/69/17/00/1069691700.db2.gz BNLAOCMXJBAUOJ-QFIPXVFZSA-N 1 0 455.990 3.788 20 0 JHADRO CCCN(CCC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[NH+]1CCSCC1 ZINC001307004311 1069698937 /nfs/dbraw/zinc/69/89/37/1069698937.db2.gz RPFLVRVPAOGKGU-UHFFFAOYSA-N 1 0 483.686 3.911 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001307004605 1069699803 /nfs/dbraw/zinc/69/98/03/1069699803.db2.gz GEGZGAKBUQUOQF-MRXNPFEDSA-N 1 0 497.507 3.948 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001307005448 1069700839 /nfs/dbraw/zinc/70/08/39/1069700839.db2.gz VRJBQASLNDACQG-UHFFFAOYSA-N 1 0 498.672 3.881 20 0 JHADRO CCC[NH+](CCC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001307005417 1069701071 /nfs/dbraw/zinc/70/10/71/1069701071.db2.gz UOCOHQDZVAPOSS-UHFFFAOYSA-N 1 0 458.573 3.805 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCC(=O)NC)cc1OC ZINC001314175311 1069701524 /nfs/dbraw/zinc/70/15/24/1069701524.db2.gz MCIMDQSKYFVULD-RTWAWAEBSA-N 1 0 498.672 3.579 20 0 JHADRO CCCN(CCC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001307006044 1069701621 /nfs/dbraw/zinc/70/16/21/1069701621.db2.gz ZVGNPGDZSDTVQE-OALUTQOASA-N 1 0 467.618 3.720 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CCCC(=O)N(C)C)cc1OC ZINC001314175468 1069702232 /nfs/dbraw/zinc/70/22/32/1069702232.db2.gz HMLQHGGEFCKTQD-FQEVSTJZSA-N 1 0 498.672 3.531 20 0 JHADRO COc1ccccc1[C@@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)c1ccccc1Cl ZINC001312071099 1069704784 /nfs/dbraw/zinc/70/47/84/1069704784.db2.gz FFYKAYOGOOCQHM-DEOSSOPVSA-N 1 0 457.018 3.859 20 0 JHADRO COc1ccccc1[C@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)c1ccccc1Cl ZINC001312071100 1069704827 /nfs/dbraw/zinc/70/48/27/1069704827.db2.gz FFYKAYOGOOCQHM-XMMPIXPASA-N 1 0 457.018 3.859 20 0 JHADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001312075604 1069708413 /nfs/dbraw/zinc/70/84/13/1069708413.db2.gz JRPAELZVQKIYNY-GUYCJALGSA-N 1 0 453.406 3.797 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2C[C@@H](C)OC)cc1OC ZINC001314177191 1069708539 /nfs/dbraw/zinc/70/85/39/1069708539.db2.gz NEGVQRVFPFOJHS-LJQANCHMSA-N 1 0 457.619 3.842 20 0 JHADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001312076392 1069708903 /nfs/dbraw/zinc/70/89/03/1069708903.db2.gz KNTRLXBGOIGUPK-SOAMZJECSA-N 1 0 450.649 3.933 20 0 JHADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)NCC1(c2ccccc2Br)CC1 ZINC001312078586 1069710397 /nfs/dbraw/zinc/71/03/97/1069710397.db2.gz MJXYOTUOODTWQW-QGZVFWFLSA-N 1 0 450.421 3.766 20 0 JHADRO C[NH+](C)C1(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)Cc2ccccc2C1 ZINC001312083688 1069712273 /nfs/dbraw/zinc/71/22/73/1069712273.db2.gz SXOWIEZQJUKHIJ-NRFANRHFSA-N 1 0 458.647 3.811 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(F)(F)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1OC ZINC001314178978 1069717330 /nfs/dbraw/zinc/71/73/30/1069717330.db2.gz ZGEDROXWSIKGIN-LJQANCHMSA-N 1 0 479.572 3.555 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H](C)[NH+](CC)CC)cc1OC ZINC001314178863 1069716717 /nfs/dbraw/zinc/71/67/17/1069716717.db2.gz GXLRLHFPMHKVBN-OXJNMPFZSA-N 1 0 485.551 3.850 20 0 JHADRO CCOc1ccc([C@@H]2CCCN2c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+](CC)CC)cc1 ZINC001314180968 1069724651 /nfs/dbraw/zinc/72/46/51/1069724651.db2.gz UJOSMSRZUORKDN-RRPUWOKSSA-N 1 0 489.686 3.651 20 0 JHADRO CCOc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001314183542 1069732893 /nfs/dbraw/zinc/73/28/93/1069732893.db2.gz IMGKARWKFHUDDB-XJUOHMSHSA-N 1 0 471.646 3.707 20 0 JHADRO CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001307019045 1069728337 /nfs/dbraw/zinc/72/83/37/1069728337.db2.gz BZBBPUDFCGXOSE-NHCUHLMSSA-N 1 0 488.702 3.696 20 0 JHADRO CCOc1ccc(CCn2c(N3CC[C@@H](N4CC[NH+](CC)CC4)C3)nnc2C(C)(C)C)cc1OCC ZINC001314182361 1069728547 /nfs/dbraw/zinc/72/85/47/1069728547.db2.gz IOQVROMBBUQGMI-HSZRJFAPSA-N 1 0 498.716 3.832 20 0 JHADRO CCOc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001314182613 1069728961 /nfs/dbraw/zinc/72/89/61/1069728961.db2.gz BZTGWIZKBMESTP-VWNXMTODSA-N 1 0 471.646 3.564 20 0 JHADRO CS(=O)(=O)c1cccc([C@@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)c2ccc(F)cc2)c1 ZINC001312125256 1069733629 /nfs/dbraw/zinc/73/36/29/1069733629.db2.gz IWGWAZQQRMPGJO-QHCPKHFHSA-N 1 0 459.587 3.635 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CC[N@@H+](C2CCC2)C1 ZINC001312127035 1069734165 /nfs/dbraw/zinc/73/41/65/1069734165.db2.gz CDULUBSEIHOYCE-YADARESESA-N 1 0 455.624 3.695 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CC[N@@H+](C2CCC2)C1 ZINC001312127032 1069734420 /nfs/dbraw/zinc/73/44/20/1069734420.db2.gz CDULUBSEIHOYCE-CYFREDJKSA-N 1 0 455.624 3.695 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001307029918 1069737899 /nfs/dbraw/zinc/73/78/99/1069737899.db2.gz RASQXWSMOBJUJO-UHFFFAOYSA-N 1 0 481.439 3.530 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001307028893 1069735789 /nfs/dbraw/zinc/73/57/89/1069735789.db2.gz CJZNUMYBIAWSOW-PZJWPPBQSA-N 1 0 462.683 3.712 20 0 JHADRO CCc1ccc([C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001312129761 1069736326 /nfs/dbraw/zinc/73/63/26/1069736326.db2.gz JUBSAPXLTYKEHA-LADGPHEKSA-N 1 0 457.640 3.866 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001307030711 1069739248 /nfs/dbraw/zinc/73/92/48/1069739248.db2.gz AYGLLQZKLQVGLP-UHFFFAOYSA-N 1 0 475.439 3.528 20 0 JHADRO CS(=O)(=O)c1cccc([C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)c2ccc(F)cc2)c1 ZINC001312133455 1069739754 /nfs/dbraw/zinc/73/97/54/1069739754.db2.gz QWRORJBSXWMLCK-HSZRJFAPSA-N 1 0 459.587 3.635 20 0 JHADRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc3cccc(OC)c3)ccc2NC1=O ZINC001312135084 1069740851 /nfs/dbraw/zinc/74/08/51/1069740851.db2.gz MPFWAMSCHFKVGM-JTSKRJEESA-N 1 0 454.571 3.639 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCS(=O)CC2)CC1 ZINC001307031979 1069742383 /nfs/dbraw/zinc/74/23/83/1069742383.db2.gz PEVFXASGOSOHGT-UHFFFAOYSA-N 1 0 498.466 3.537 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)C1 ZINC001307032245 1069743875 /nfs/dbraw/zinc/74/38/75/1069743875.db2.gz RIXJKGSAKQCPTP-OALUTQOASA-N 1 0 480.579 3.758 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001307032909 1069745283 /nfs/dbraw/zinc/74/52/83/1069745283.db2.gz FZVPJZNQWUJZFU-GUXCAODWSA-N 1 0 480.426 3.786 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)CC[C@H]2C)C1 ZINC001307032560 1069745454 /nfs/dbraw/zinc/74/54/54/1069745454.db2.gz DRMHMVJNCXQSCA-AQNXPRMDSA-N 1 0 459.660 3.705 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)Cc2cnccn2)CC1 ZINC001307032914 1069746285 /nfs/dbraw/zinc/74/62/85/1069746285.db2.gz ZVRCXZOPVLCFSI-UHFFFAOYSA-N 1 0 465.602 3.511 20 0 JHADRO CCOc1ccc(CN2CCN(c3nnc(C(C)C)n3CC3(SC)CC[NH+](C)CC3)CC2)cc1 ZINC001314189066 1069746542 /nfs/dbraw/zinc/74/65/42/1069746542.db2.gz OSTKEWVYTHEVEU-UHFFFAOYSA-N 1 0 486.730 3.950 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001307034625 1069751535 /nfs/dbraw/zinc/75/15/35/1069751535.db2.gz LGDOBLICOYRXJW-KRWDZBQOSA-N 1 0 476.551 3.769 20 0 JHADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC001312153333 1069752040 /nfs/dbraw/zinc/75/20/40/1069752040.db2.gz GLHVRKUNQBUASA-SFHVURJKSA-N 1 0 452.521 3.603 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@@H](C)C(=O)NC)C1 ZINC001307033880 1069748980 /nfs/dbraw/zinc/74/89/80/1069748980.db2.gz NLFPJIGNELMIAI-OTWHNJEPSA-N 1 0 472.703 3.682 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001307033938 1069749841 /nfs/dbraw/zinc/74/98/41/1069749841.db2.gz FYVAFDAYKIXPLZ-NHCUHLMSSA-N 1 0 483.661 3.826 20 0 JHADRO COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001312156028 1069754587 /nfs/dbraw/zinc/75/45/87/1069754587.db2.gz ZKOXWUSPUKUGDV-IBGZPJMESA-N 1 0 458.990 3.868 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(C)C)nnc2N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)C1 ZINC001307037126 1069758215 /nfs/dbraw/zinc/75/82/15/1069758215.db2.gz SLKFRSLAFSFCRC-NHCUHLMSSA-N 1 0 453.635 3.692 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001307036388 1069756251 /nfs/dbraw/zinc/75/62/51/1069756251.db2.gz XYJMZHWFOQHGKA-RXVVDRJESA-N 1 0 480.078 3.734 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C)CC3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001314192400 1069756614 /nfs/dbraw/zinc/75/66/14/1069756614.db2.gz GIJGTAIILLQMQE-NRFANRHFSA-N 1 0 471.646 3.900 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001314192549 1069756709 /nfs/dbraw/zinc/75/67/09/1069756709.db2.gz VACSSUYWLMXFEV-BHIFYINESA-N 1 0 498.672 3.606 20 0 JHADRO COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)NC[C@]1([NH+](C)C)CCSC1)CC2 ZINC001312165772 1069760337 /nfs/dbraw/zinc/76/03/37/1069760337.db2.gz GFALRVWUYRHJTE-UKILVPOCSA-N 1 0 455.624 3.798 20 0 JHADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC001312165532 1069760490 /nfs/dbraw/zinc/76/04/90/1069760490.db2.gz QEFJWOBDGYMWJX-LJQANCHMSA-N 1 0 458.411 3.889 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001314193400 1069760610 /nfs/dbraw/zinc/76/06/10/1069760610.db2.gz KIWBYLDQNBEBEP-PBDKAQRYSA-N 1 0 498.672 3.639 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1 ZINC001307039278 1069763629 /nfs/dbraw/zinc/76/36/29/1069763629.db2.gz UHUMYFISKYIUJQ-IBGZPJMESA-N 1 0 491.055 3.963 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001307039153 1069762665 /nfs/dbraw/zinc/76/26/65/1069762665.db2.gz RNUGJPJHFSIKMF-AZUAARDMSA-N 1 0 482.570 3.813 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(CC(=O)NC)CC2)CC1 ZINC001307039016 1069762978 /nfs/dbraw/zinc/76/29/78/1069762978.db2.gz NYUDSNWLYYXXDA-UHFFFAOYSA-N 1 0 488.627 3.622 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@H](C)[C@H]3CC)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001314194542 1069764792 /nfs/dbraw/zinc/76/47/92/1069764792.db2.gz SPVRKQCACLOFGI-BBVKZKKFSA-N 1 0 457.619 3.508 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)C1 ZINC001307040029 1069766104 /nfs/dbraw/zinc/76/61/04/1069766104.db2.gz VJBJOIKZMUHJLB-UXHICEINSA-N 1 0 470.637 3.947 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H](c2cccnc2)C1 ZINC001312181713 1069768957 /nfs/dbraw/zinc/76/89/57/1069768957.db2.gz JBWARNOYUNEXIE-QFIPXVFZSA-N 1 0 457.619 3.792 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2C[C@@H](C)SC)cc1 ZINC001314195631 1069771052 /nfs/dbraw/zinc/77/10/52/1069771052.db2.gz DODMLLUZVMZCPQ-WOJBJXKFSA-N 1 0 489.686 3.869 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001307042899 1069773692 /nfs/dbraw/zinc/77/36/92/1069773692.db2.gz WJVGGJVNXRBWFR-NRFANRHFSA-N 1 0 452.647 3.762 20 0 JHADRO C[C@H](CCNC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC001312192515 1069773796 /nfs/dbraw/zinc/77/37/96/1069773796.db2.gz XXHHWUVZRHNWKA-HXUWFJFHSA-N 1 0 457.018 3.647 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCO[C@H](c3ccc(Cl)s3)C2)C1 ZINC001307043779 1069775917 /nfs/dbraw/zinc/77/59/17/1069775917.db2.gz AZYWUBSOIZEPOI-IRXDYDNUSA-N 1 0 454.040 3.839 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2sc(CC)nc2C)CC1 ZINC001307043942 1069776342 /nfs/dbraw/zinc/77/63/42/1069776342.db2.gz VZQIFWIAECHSIX-HKUYNNGSSA-N 1 0 473.691 3.876 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CCC(F)(F)F)C1 ZINC001307043870 1069776595 /nfs/dbraw/zinc/77/65/95/1069776595.db2.gz UVRMWAFQBUIQLT-OAHLLOKOSA-N 1 0 463.508 3.714 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001307044726 1069779693 /nfs/dbraw/zinc/77/96/93/1069779693.db2.gz ILZTUSKPPGCRGU-UHFFFAOYSA-N 1 0 483.657 3.985 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001312201828 1069777607 /nfs/dbraw/zinc/77/76/07/1069777607.db2.gz CCAQEBSMRVDXHR-RTWAWAEBSA-N 1 0 457.537 3.857 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001312204475 1069779677 /nfs/dbraw/zinc/77/96/77/1069779677.db2.gz PQKYJOQIQVETGZ-RUZDIDTESA-N 1 0 455.574 3.980 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001307044552 1069777760 /nfs/dbraw/zinc/77/77/60/1069777760.db2.gz QSGVQIHTMSEVSS-NRFANRHFSA-N 1 0 452.647 3.561 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)C1 ZINC001307044612 1069778359 /nfs/dbraw/zinc/77/83/59/1069778359.db2.gz GZRMXKXCNBQYMM-NHCUHLMSSA-N 1 0 483.657 3.886 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001307044695 1069778792 /nfs/dbraw/zinc/77/87/92/1069778792.db2.gz IDQCFACRDWBNBA-QFIPXVFZSA-N 1 0 482.673 3.638 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CC[NH+]2CCCCCC2)cc1 ZINC001314198412 1069783314 /nfs/dbraw/zinc/78/33/14/1069783314.db2.gz MEZKCEDQDLXTRI-YADHBBJMSA-N 1 0 498.672 3.750 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCOC2)CC1 ZINC001307045974 1069783835 /nfs/dbraw/zinc/78/38/35/1069783835.db2.gz PMAYDCZECJDIOF-LJQANCHMSA-N 1 0 457.619 3.700 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N(C)Cc3cscn3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001307045962 1069783873 /nfs/dbraw/zinc/78/38/73/1069783873.db2.gz IOJLPXJOXCPWHW-QHCPKHFHSA-N 1 0 462.664 3.534 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cccnc2OC)CC1 ZINC001307046031 1069783878 /nfs/dbraw/zinc/78/38/78/1069783878.db2.gz QAVHEZJWSLZZSE-UHFFFAOYSA-N 1 0 480.613 3.725 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCOC2)CC1 ZINC001307045972 1069783896 /nfs/dbraw/zinc/78/38/96/1069783896.db2.gz PMAYDCZECJDIOF-IBGZPJMESA-N 1 0 457.619 3.700 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N(C)Cc3cscn3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001307045959 1069783927 /nfs/dbraw/zinc/78/39/27/1069783927.db2.gz IOJLPXJOXCPWHW-HSZRJFAPSA-N 1 0 462.664 3.534 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@](C)(CC)C2)C1 ZINC001307045092 1069780921 /nfs/dbraw/zinc/78/09/21/1069780921.db2.gz CXWPVEVLBAZFRZ-YRKFHGTDSA-N 1 0 490.693 3.786 20 0 JHADRO CC[C@H](NC(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001312219355 1069790610 /nfs/dbraw/zinc/79/06/10/1069790610.db2.gz VBCHLAOTASXKFV-CCDWMCETSA-N 1 0 453.627 3.996 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCC(n3ccc(C(F)(F)F)n3)CC2)C1 ZINC001307047083 1069788474 /nfs/dbraw/zinc/78/84/74/1069788474.db2.gz VBUFDTHFIJPIRB-QGZVFWFLSA-N 1 0 469.556 3.603 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N3CCC(C)=C(Br)C3)nnc2[C@@]2(OCC)CCOC2)CC1 ZINC001307047428 1069788904 /nfs/dbraw/zinc/78/89/04/1069788904.db2.gz SNDLTWSUTPHQAP-HSZRJFAPSA-N 1 0 496.494 3.931 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)C1 ZINC001307047379 1069788941 /nfs/dbraw/zinc/78/89/41/1069788941.db2.gz ZAEUPABTXQHRTA-ROUUACIJSA-N 1 0 469.556 3.603 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](COC)O[C@@H](C)C2)CC1 ZINC001307047777 1069791379 /nfs/dbraw/zinc/79/13/79/1069791379.db2.gz ZRBHSTMLBXSDIG-MLDBQTBOSA-N 1 0 477.694 3.559 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001307047791 1069791434 /nfs/dbraw/zinc/79/14/34/1069791434.db2.gz ZZFQSLJVTDZPIL-AREMUKBSSA-N 1 0 484.714 3.963 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001307047774 1069791447 /nfs/dbraw/zinc/79/14/47/1069791447.db2.gz ZRBHSTMLBXSDIG-CWKRKGSWSA-N 1 0 477.694 3.559 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2CCc2ccc(NC(C)=O)cc2)CC1 ZINC001307047836 1069792018 /nfs/dbraw/zinc/79/20/18/1069792018.db2.gz BGQVEXLSHKSOKR-UHFFFAOYSA-N 1 0 475.641 3.776 20 0 JHADRO CCOc1cccc(CCn2c(C(C)C)nnc2N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC001314200906 1069793156 /nfs/dbraw/zinc/79/31/56/1069793156.db2.gz SFGIRIDQXBAEBU-QHCPKHFHSA-N 1 0 454.663 3.648 20 0 JHADRO CCOc1cccc(CCn2c(C(C)C)nnc2N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC001314200905 1069793354 /nfs/dbraw/zinc/79/33/54/1069793354.db2.gz SFGIRIDQXBAEBU-HSZRJFAPSA-N 1 0 454.663 3.648 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCO2)CC1 ZINC001307050330 1069800054 /nfs/dbraw/zinc/80/00/54/1069800054.db2.gz CSSUDDVQCKQEKU-RZUBCFFCSA-N 1 0 490.693 3.929 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 ZINC001307049003 1069796083 /nfs/dbraw/zinc/79/60/83/1069796083.db2.gz GOCQWEYYOKFMNO-RCXJIHSJSA-N 1 0 477.694 3.977 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)cc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001307049438 1069797459 /nfs/dbraw/zinc/79/74/59/1069797459.db2.gz KUGPUEXEPOLLGF-YTTGMZPUSA-N 1 0 461.676 3.812 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC001307049787 1069798016 /nfs/dbraw/zinc/79/80/16/1069798016.db2.gz RFYHUTUGARFWEQ-NZQKXSOJSA-N 1 0 474.694 3.629 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCCC[C@H](SCC)C2)C1 ZINC001307050556 1069800852 /nfs/dbraw/zinc/80/08/52/1069800852.db2.gz ZIOHZQJCOHIAQT-CMOCDZPBSA-N 1 0 465.708 3.846 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001314202379 1069801520 /nfs/dbraw/zinc/80/15/20/1069801520.db2.gz PXLHWWOSYFKSCU-JTHBVZDNSA-N 1 0 498.672 3.654 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1Cc2cccc(Br)c2C1 ZINC001307050912 1069802156 /nfs/dbraw/zinc/80/21/56/1069802156.db2.gz HLRZISKHWZHXLF-GOSISDBHSA-N 1 0 489.462 3.964 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCc2cc(C)ccc2OC)CC1 ZINC001307051015 1069802443 /nfs/dbraw/zinc/80/24/43/1069802443.db2.gz CVBKBTPZCKULQT-UHFFFAOYSA-N 1 0 451.619 3.549 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001307051302 1069803744 /nfs/dbraw/zinc/80/37/44/1069803744.db2.gz ZRHIFKYLBFXNCZ-ZHRRBRCNSA-N 1 0 479.467 3.897 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001307051189 1069803829 /nfs/dbraw/zinc/80/38/29/1069803829.db2.gz KXGPMDWRSOISKS-DENIHFKCSA-N 1 0 459.610 3.858 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001307051688 1069804814 /nfs/dbraw/zinc/80/48/14/1069804814.db2.gz RYEDVNNMIZKRFM-MGBGTMOVSA-N 1 0 479.666 3.854 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](C)COC)CC1 ZINC001307050352 1069800381 /nfs/dbraw/zinc/80/03/81/1069800381.db2.gz QXTBHUAVAXCGSI-LJQANCHMSA-N 1 0 451.619 3.928 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(OC)cc3)n2Cc2c(C)noc2C)CC1 ZINC001307051617 1069805271 /nfs/dbraw/zinc/80/52/71/1069805271.db2.gz QDOVFKQIAUUJFO-UHFFFAOYSA-N 1 0 468.602 3.829 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cn(C)c4ccccc34)n2CC[S@](=O)CC)CC1 ZINC001307052040 1069806306 /nfs/dbraw/zinc/80/63/06/1069806306.db2.gz QPFUSUNFYIXUML-JGCGQSQUSA-N 1 0 456.660 3.516 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001307052715 1069809198 /nfs/dbraw/zinc/80/91/98/1069809198.db2.gz DCRKBNCUQQSQCD-UNMCSNQZSA-N 1 0 489.064 3.599 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307053285 1069812180 /nfs/dbraw/zinc/81/21/80/1069812180.db2.gz CNGQXHOQTDFALH-QHCPKHFHSA-N 1 0 498.672 3.722 20 0 JHADRO C[C@@H]1C[C@@H](NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312254868 1069812498 /nfs/dbraw/zinc/81/24/98/1069812498.db2.gz UTNLSUMSCZDROV-DYESRHJHSA-N 1 0 455.990 3.758 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001307054317 1069815903 /nfs/dbraw/zinc/81/59/03/1069815903.db2.gz IALGXDVIKNKMOC-FPOVZHCZSA-N 1 0 459.038 3.825 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCO[C@@H](C)C1 ZINC001307054788 1069816269 /nfs/dbraw/zinc/81/62/69/1069816269.db2.gz MKSAXIQLHVFTSK-WMZOPIPTSA-N 1 0 465.440 3.915 20 0 JHADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001312264610 1069821550 /nfs/dbraw/zinc/82/15/50/1069821550.db2.gz GQUOTYBOPXQHLH-OAQYLSRUSA-N 1 0 451.453 3.929 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(CC(C)C)n3CCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)n1 ZINC001314208212 1069823092 /nfs/dbraw/zinc/82/30/92/1069823092.db2.gz JTQOTZIFZXBLNO-DHIUTWEWSA-N 1 0 483.705 3.965 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 ZINC001307054965 1069819495 /nfs/dbraw/zinc/81/94/95/1069819495.db2.gz HZFARLRVNZDIQV-WOJBJXKFSA-N 1 0 457.619 3.569 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](COC)C1 ZINC001307055971 1069824308 /nfs/dbraw/zinc/82/43/08/1069824308.db2.gz RUTFHEGNUZFORM-RBUKOAKNSA-N 1 0 492.462 3.824 20 0 JHADRO CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccco1 ZINC001312269320 1069826471 /nfs/dbraw/zinc/82/64/71/1069826471.db2.gz CSUIGVPNAXGPIX-WNRNVDISSA-N 1 0 452.596 3.769 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCOC3)n2Cc2cc(OC)ccc2OC)CC1 ZINC001307056959 1069830462 /nfs/dbraw/zinc/83/04/62/1069830462.db2.gz UFZXUSRDCPECMQ-IBGZPJMESA-N 1 0 457.619 3.548 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001307057346 1069832681 /nfs/dbraw/zinc/83/26/81/1069832681.db2.gz IYGKPUIITTZPGH-FDFHNCONSA-N 1 0 490.693 3.788 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001307058229 1069838452 /nfs/dbraw/zinc/83/84/52/1069838452.db2.gz YUZJGVKUKVBOHQ-NRFANRHFSA-N 1 0 455.603 3.608 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001307058845 1069842107 /nfs/dbraw/zinc/84/21/07/1069842107.db2.gz QTRGBJHJGLXJKY-QHCPKHFHSA-N 1 0 468.646 3.810 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001307059058 1069842333 /nfs/dbraw/zinc/84/23/33/1069842333.db2.gz SWMBFAQMCWOSLD-LEWJYISDSA-N 1 0 457.619 3.787 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001307061669 1069853919 /nfs/dbraw/zinc/85/39/19/1069853919.db2.gz HFNZFNZVCUIWQH-NHCUHLMSSA-N 1 0 455.651 3.526 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001307061697 1069854600 /nfs/dbraw/zinc/85/46/00/1069854600.db2.gz HMQFTPKQTPZTQC-GGAORHGYSA-N 1 0 468.646 3.917 20 0 JHADRO C[C@H](NC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312314014 1069856217 /nfs/dbraw/zinc/85/62/17/1069856217.db2.gz BJNUPWNJRPGATE-QXAKKESOSA-N 1 0 458.965 3.794 20 0 JHADRO COC(=O)c1ccc(F)c2c1CN(C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC001312314971 1069857222 /nfs/dbraw/zinc/85/72/22/1069857222.db2.gz SBBLWTKWUYSXOG-UYAOXDASSA-N 1 0 453.558 3.981 20 0 JHADRO C[C@H]1C[C@H](CCNC(=O)NCC2(OCCO)CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312314932 1069857311 /nfs/dbraw/zinc/85/73/11/1069857311.db2.gz RNFDEWMFXRRRLI-FPOVZHCZSA-N 1 0 453.574 3.543 20 0 JHADRO C[C@H](NC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312314017 1069857369 /nfs/dbraw/zinc/85/73/69/1069857369.db2.gz BJNUPWNJRPGATE-YTQUADARSA-N 1 0 458.965 3.794 20 0 JHADRO COC(=O)c1ccc(F)c2c1CN(C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC001312314969 1069857785 /nfs/dbraw/zinc/85/77/85/1069857785.db2.gz SBBLWTKWUYSXOG-QUCCMNQESA-N 1 0 453.558 3.981 20 0 JHADRO C[C@@H]1C[C@H](CCNC(=O)N2CCC(NC(=O)c3ccsc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312315662 1069858324 /nfs/dbraw/zinc/85/83/24/1069858324.db2.gz YFJXJQLYGBJZTE-CTNGQTDRSA-N 1 0 454.640 3.953 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001312316319 1069859142 /nfs/dbraw/zinc/85/91/42/1069859142.db2.gz OXSGOEOCSIORGY-ZIFCJYIRSA-N 1 0 458.965 3.889 20 0 JHADRO C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001312322032 1069862450 /nfs/dbraw/zinc/86/24/50/1069862450.db2.gz VHXSXGHPIUOBOH-CPJSRVTESA-N 1 0 454.590 3.650 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC001307063405 1069862609 /nfs/dbraw/zinc/86/26/09/1069862609.db2.gz ROQOJVFQZODIHE-DEOSSOPVSA-N 1 0 492.672 3.671 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001307063092 1069861865 /nfs/dbraw/zinc/86/18/65/1069861865.db2.gz MGVHYZREJDSLRA-PXNSSMCTSA-N 1 0 463.001 3.923 20 0 JHADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC001312337569 1069872543 /nfs/dbraw/zinc/87/25/43/1069872543.db2.gz TUACLOIZJBQBPA-MOPGFXCFSA-N 1 0 451.571 3.966 20 0 JHADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001312337571 1069872791 /nfs/dbraw/zinc/87/27/91/1069872791.db2.gz TUACLOIZJBQBPA-RBUKOAKNSA-N 1 0 451.571 3.966 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001307065932 1069873215 /nfs/dbraw/zinc/87/32/15/1069873215.db2.gz GHTGKSHBIPFEJW-ZZLPTCMGSA-N 1 0 474.694 3.553 20 0 JHADRO COC(=O)c1sc2c(c1Br)CN(C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)C2 ZINC001312339248 1069873556 /nfs/dbraw/zinc/87/35/56/1069873556.db2.gz VWNMGCIMZUTIGZ-ZDUSSCGKSA-N 1 0 458.422 3.690 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001307069217 1069881503 /nfs/dbraw/zinc/88/15/03/1069881503.db2.gz RATSLZXJRWBOCW-QHCPKHFHSA-N 1 0 498.672 3.577 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001307068001 1069878836 /nfs/dbraw/zinc/87/88/36/1069878836.db2.gz NVUSHVWVKPCWPC-NHCUHLMSSA-N 1 0 478.682 3.915 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001307070055 1069883703 /nfs/dbraw/zinc/88/37/03/1069883703.db2.gz WGTXGUMIVZYCIA-BJKOFHAPSA-N 1 0 482.673 3.735 20 0 JHADRO C[C@H](NC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(S(C)(=O)=O)cc1 ZINC001312358541 1069884343 /nfs/dbraw/zinc/88/43/43/1069884343.db2.gz XGRKEUMMLUTIDO-INDWIESVSA-N 1 0 455.624 3.751 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001307070165 1069884683 /nfs/dbraw/zinc/88/46/83/1069884683.db2.gz YHNYTUBXRNMQRQ-YZUZCNPQSA-N 1 0 471.646 3.991 20 0 JHADRO C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001312365822 1069890303 /nfs/dbraw/zinc/89/03/03/1069890303.db2.gz DAIKYIQHJJTRQJ-NLFFAJNJSA-N 1 0 452.599 3.923 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001314224695 1069887236 /nfs/dbraw/zinc/88/72/36/1069887236.db2.gz GEOORQOZOFVBDZ-QFIPXVFZSA-N 1 0 457.619 3.603 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@H]1OCCC1(C)C ZINC001314226430 1069896016 /nfs/dbraw/zinc/89/60/16/1069896016.db2.gz UDKFQCHDFCRSCH-SIKLNZKXSA-N 1 0 457.619 3.601 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1(C)COC1 ZINC001314226500 1069896193 /nfs/dbraw/zinc/89/61/93/1069896193.db2.gz VIYBRKPVPVYTJK-UHFFFAOYSA-N 1 0 471.646 3.851 20 0 JHADRO CCOC(=O)C1(C(F)(F)F)CCN(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001312379225 1069897037 /nfs/dbraw/zinc/89/70/37/1069897037.db2.gz BQBQSROVGJPSDP-PKOBYXMFSA-N 1 0 455.521 3.814 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001314226733 1069897734 /nfs/dbraw/zinc/89/77/34/1069897734.db2.gz HAEOIBQKCRDXJR-UHFFFAOYSA-N 1 0 493.656 3.686 20 0 JHADRO COc1ccc(C)cc1CN1CCN(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001312383089 1069898813 /nfs/dbraw/zinc/89/88/13/1069898813.db2.gz MIWJEZUNRHBNAM-VWNXMTODSA-N 1 0 450.627 3.741 20 0 JHADRO C[C@H](NC(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312383090 1069898936 /nfs/dbraw/zinc/89/89/36/1069898936.db2.gz MJVRAMYQYGXPCQ-HQRMLTQVSA-N 1 0 451.489 3.828 20 0 JHADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C[C@@H]1C ZINC001312391632 1069904975 /nfs/dbraw/zinc/90/49/75/1069904975.db2.gz HTYIYOQGFWGKOD-FFZOFVMBSA-N 1 0 454.537 3.711 20 0 JHADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001312395296 1069907765 /nfs/dbraw/zinc/90/77/65/1069907765.db2.gz YEMVKOYMYVQXSO-YLJYHZDGSA-N 1 0 454.537 3.616 20 0 JHADRO C[NH+](C)CCCn1c(SCOC(=O)N2CCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC001307259425 1069917785 /nfs/dbraw/zinc/91/77/85/1069917785.db2.gz WPPBRKWUBDSSPH-UHFFFAOYSA-N 1 0 450.630 3.571 20 0 JHADRO C[N@@H+]1CC[C@H](CNC(=O)NC2CCN(CC(F)(F)F)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312411914 1069918082 /nfs/dbraw/zinc/91/80/82/1069918082.db2.gz JOHOSGNQTIMSBM-RDTXWAMCSA-N 1 0 450.908 3.798 20 0 JHADRO CC(C)N(C)C(=O)C1CCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001312412260 1069918178 /nfs/dbraw/zinc/91/81/78/1069918178.db2.gz KJJUTRBBKZFRHL-GHTZIAJQSA-N 1 0 453.002 3.760 20 0 JHADRO C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC001312413499 1069919091 /nfs/dbraw/zinc/91/90/91/1069919091.db2.gz IFZYODOALVVZIX-NRFANRHFSA-N 1 0 454.468 3.821 20 0 JHADRO CC(C)CC(=O)N1CCCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001312416301 1069921653 /nfs/dbraw/zinc/92/16/53/1069921653.db2.gz WCHPHAWTYVIGMZ-PGRDOPGGSA-N 1 0 453.002 3.762 20 0 JHADRO CCOC1CC(CCn2c(N(C)C3CC[NH+](CCn4cccn4)CC3)nnc2C(C)(C)C)C1 ZINC001314237920 1069936815 /nfs/dbraw/zinc/93/68/15/1069936815.db2.gz IKMWTBWHAWRRIU-UHFFFAOYSA-N 1 0 457.667 3.578 20 0 JHADRO CC1([NH+]2CCC2)CCC(NC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC001312454565 1069948199 /nfs/dbraw/zinc/94/81/99/1069948199.db2.gz OSIJORAJMXIHCJ-WUZYXKQASA-N 1 0 452.521 3.513 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001312456364 1069950586 /nfs/dbraw/zinc/95/05/86/1069950586.db2.gz OMNLIKKXMIRMNV-JJOHKHTFSA-N 1 0 456.631 3.795 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCN(CC)CC2)C1(C)C ZINC001314243648 1069952905 /nfs/dbraw/zinc/95/29/05/1069952905.db2.gz MIFATMAOGKDBOH-NHCUHLMSSA-N 1 0 490.096 3.661 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc([C@]3(OCC)CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1(C)C ZINC001314243574 1069952935 /nfs/dbraw/zinc/95/29/35/1069952935.db2.gz AGSGNVPIXLXQEY-UZINWLIJSA-N 1 0 477.694 3.692 20 0 JHADRO CC[NH+](CC)CCOCCNC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001312466712 1069955202 /nfs/dbraw/zinc/95/52/02/1069955202.db2.gz POSGRMKSHNOYKE-LEWJYISDSA-N 1 0 454.656 3.556 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(Cn3nc(C)cc3C)n2CC2(SC)CC[NH+](C)CC2)C1(C)C ZINC001314246385 1069962825 /nfs/dbraw/zinc/96/28/25/1069962825.db2.gz BBBURAAEWRJKMB-NHCUHLMSSA-N 1 0 489.734 3.607 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCCC2)C1(C)C ZINC001314247510 1069967126 /nfs/dbraw/zinc/96/71/26/1069967126.db2.gz WGQTWMSDZYKZAK-NHCUHLMSSA-N 1 0 489.064 3.597 20 0 JHADRO CCO[C@H]1C[C@@H](N(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCCC2)C1(C)C ZINC001314247511 1069967195 /nfs/dbraw/zinc/96/71/95/1069967195.db2.gz WGQTWMSDZYKZAK-RTWAWAEBSA-N 1 0 489.064 3.597 20 0 JHADRO COC(=O)c1csc(-c2cccc(CNC(=O)N(CC[NH+](C)C)Cc3ccsc3)c2)n1 ZINC001312494252 1069971763 /nfs/dbraw/zinc/97/17/63/1069971763.db2.gz ABRCTSFJMAENHZ-UHFFFAOYSA-N 1 0 458.609 3.932 20 0 JHADRO CCO[C@H]1C[C@@H](N(C)c2nnc(CCc3ccccc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC001314248343 1069970118 /nfs/dbraw/zinc/97/01/18/1069970118.db2.gz DEEYCPDBFYSETQ-RPWUZVMVSA-N 1 0 482.717 3.729 20 0 JHADRO Cc1cccc(COc2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)cc2)c1 ZINC001312492352 1069970435 /nfs/dbraw/zinc/97/04/35/1069970435.db2.gz ZQHRGRGIIHIQQM-VWLOTQADSA-N 1 0 450.627 3.884 20 0 JHADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CC1 ZINC001307414153 1069972385 /nfs/dbraw/zinc/97/23/85/1069972385.db2.gz DJFKDSKAUHXOAY-OAQYLSRUSA-N 1 0 452.542 3.868 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccn3C)n2CC2(SC)CC[NH+](C)CC2)C1(C)C ZINC001314249056 1069972803 /nfs/dbraw/zinc/97/28/03/1069972803.db2.gz WIVANMMNNNYLNT-WOJBJXKFSA-N 1 0 460.692 3.751 20 0 JHADRO CCO[C@H]1C[C@@H](N(C)c2nnc(-c3cccn3C)n2CC2(SC)CC[NH+](C)CC2)C1(C)C ZINC001314249032 1069972952 /nfs/dbraw/zinc/97/29/52/1069972952.db2.gz WIVANMMNNNYLNT-UXHICEINSA-N 1 0 460.692 3.751 20 0 JHADRO CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2Cl)CC1 ZINC001307415106 1069973367 /nfs/dbraw/zinc/97/33/67/1069973367.db2.gz YUIIPZZOSWMHOB-FQEVSTJZSA-N 1 0 458.430 3.768 20 0 JHADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001312501274 1069976646 /nfs/dbraw/zinc/97/66/46/1069976646.db2.gz UEZXNJAKFPPYQE-JOCHJYFZSA-N 1 0 459.537 3.809 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](CCc3c(F)cccc3Cl)C2)CC1 ZINC001307424812 1069978422 /nfs/dbraw/zinc/97/84/22/1069978422.db2.gz RVULNPQLKOJXNC-QGZVFWFLSA-N 1 0 453.986 3.813 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001307432026 1069982283 /nfs/dbraw/zinc/98/22/83/1069982283.db2.gz SQECFWYHIRANOO-QZTJIDSGSA-N 1 0 456.612 3.956 20 0 JHADRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001307428654 1069980581 /nfs/dbraw/zinc/98/05/81/1069980581.db2.gz BCVHVZBVGZCGIX-OAHLLOKOSA-N 1 0 451.917 3.571 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC001314252130 1069981195 /nfs/dbraw/zinc/98/11/95/1069981195.db2.gz QCWSONWGTGJTKD-XPWALMASSA-N 1 0 471.694 3.900 20 0 JHADRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001307441514 1069985801 /nfs/dbraw/zinc/98/58/01/1069985801.db2.gz FJFLPYNZJUGBRT-MSOLQXFVSA-N 1 0 456.612 3.956 20 0 JHADRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@H+](C)CCc2cccc3ccccc32)cc1 ZINC001307442692 1069985996 /nfs/dbraw/zinc/98/59/96/1069985996.db2.gz NILJNROTUFSNKL-UHFFFAOYSA-N 1 0 453.608 3.983 20 0 JHADRO CC(C)[C@H](CNC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001312524922 1069990287 /nfs/dbraw/zinc/99/02/87/1069990287.db2.gz WEYNCYZVDGJPGG-FQEVSTJZSA-N 1 0 454.537 3.730 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1(C)C ZINC001314255985 1069990802 /nfs/dbraw/zinc/99/08/02/1069990802.db2.gz JRMHCMWLFHHYOL-BHIFYINESA-N 1 0 467.593 3.817 20 0 JHADRO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@@H+]3CCC[C@@H]3C3CCC3)C2=O)cc1 ZINC001307451472 1069991970 /nfs/dbraw/zinc/99/19/70/1069991970.db2.gz BOIWPFRPBWWPNW-YLCCHKQJSA-N 1 0 457.596 3.502 20 0 JHADRO CCOC1CC(O)(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC001314263383 1070006903 /nfs/dbraw/zinc/00/69/03/1070006903.db2.gz KYOPFQYPCLCQGS-RQOXUDFDSA-N 1 0 485.673 3.615 20 0 JHADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001312551225 1070008442 /nfs/dbraw/zinc/00/84/42/1070008442.db2.gz JALNYCLDCSPRQT-RTBURBONSA-N 1 0 458.525 3.961 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)C1CC1 ZINC001312558461 1070013609 /nfs/dbraw/zinc/01/36/09/1070013609.db2.gz HGPNDNSIWIWKGD-XZOQPEGZSA-N 1 0 453.562 3.642 20 0 JHADRO COCCC1(CNC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCCCC1 ZINC001312560160 1070014417 /nfs/dbraw/zinc/01/44/17/1070014417.db2.gz UQGDIAMTFAPXMY-HSZRJFAPSA-N 1 0 457.663 3.612 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001314268270 1070019767 /nfs/dbraw/zinc/01/97/67/1070019767.db2.gz GSLWARRTXMLSGF-QPPBQGQZSA-N 1 0 454.663 3.539 20 0 JHADRO COc1ccc(C2=NO[C@H](CNC(=O)NC[C@]3(C)CC[N@H+](Cc4ccccc4)C3)C2)cc1C ZINC001312569510 1070019968 /nfs/dbraw/zinc/01/99/68/1070019968.db2.gz CYBPEJZXISEWRZ-NVQXNPDNSA-N 1 0 450.583 3.708 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001314267968 1070019179 /nfs/dbraw/zinc/01/91/79/1070019179.db2.gz COYSVGJNPJEFGG-INIZCTEOSA-N 1 0 498.491 3.885 20 0 JHADRO CO[C@@H](C)c1nc(CN2CCC[N@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC001307510155 1070025574 /nfs/dbraw/zinc/02/55/74/1070025574.db2.gz NTEKYBIIQCKQFA-OXJNMPFZSA-N 1 0 457.562 3.981 20 0 JHADRO O=c1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)nc2ccc(Br)cn12 ZINC001307514684 1070028670 /nfs/dbraw/zinc/02/86/70/1070028670.db2.gz XMXKYDGIXJMRMG-LJQANCHMSA-N 1 0 454.324 3.786 20 0 JHADRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001307519956 1070030821 /nfs/dbraw/zinc/03/08/21/1070030821.db2.gz SRYOQIZOQYEEGR-IRLDBZIGSA-N 1 0 455.624 3.753 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001314274305 1070030958 /nfs/dbraw/zinc/03/09/58/1070030958.db2.gz HEDSFTGOODWVCA-ZEQRLZLVSA-N 1 0 465.646 3.756 20 0 JHADRO C[C@@]1(CNC(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001312615583 1070046265 /nfs/dbraw/zinc/04/62/65/1070046265.db2.gz PEUCAXFHVDBWFG-SANMLTNESA-N 1 0 452.574 3.595 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001314282033 1070048552 /nfs/dbraw/zinc/04/85/52/1070048552.db2.gz NXERHGUIDVFSGT-SXWKCWPCSA-N 1 0 475.609 3.501 20 0 JHADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC001312630213 1070052668 /nfs/dbraw/zinc/05/26/68/1070052668.db2.gz ZDQVNZAQWDQVRC-ICSRJNTNSA-N 1 0 458.404 3.998 20 0 JHADRO CCOCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001314284636 1070055176 /nfs/dbraw/zinc/05/51/76/1070055176.db2.gz GXXIJLZFSSLRCL-OAQYLSRUSA-N 1 0 462.038 3.962 20 0 JHADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001307573547 1070060209 /nfs/dbraw/zinc/06/02/09/1070060209.db2.gz JQIZACVPCQQNSX-PZJWPPBQSA-N 1 0 452.382 3.558 20 0 JHADRO CCOCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314286530 1070060291 /nfs/dbraw/zinc/06/02/91/1070060291.db2.gz MWOKCKZKOCOQOJ-GOTSBHOMSA-N 1 0 455.647 3.946 20 0 JHADRO CCO[C@H](C)c1nc(CN2CCN(C(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)CC2)cs1 ZINC001312657769 1070066580 /nfs/dbraw/zinc/06/65/80/1070066580.db2.gz NMMBAUYRILICQM-JQVVWYNYSA-N 1 0 459.660 3.759 20 0 JHADRO CCOCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001314287321 1070062495 /nfs/dbraw/zinc/06/24/95/1070062495.db2.gz QOTXMHACTCHDOJ-NRFANRHFSA-N 1 0 492.709 3.986 20 0 JHADRO CCOCc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001314291316 1070071163 /nfs/dbraw/zinc/07/11/63/1070071163.db2.gz GMTZMCOHIKZAHS-UHFFFAOYSA-N 1 0 496.681 3.775 20 0 JHADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C)[NH+](C)C ZINC001312659547 1070067606 /nfs/dbraw/zinc/06/76/06/1070067606.db2.gz KBLIERKHZHIWTC-XODKDNOYSA-N 1 0 450.599 3.975 20 0 JHADRO CC(C)(C)c1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@@H+]3CC[C@H](C4CC4)C3)C2=O)cc1 ZINC001307589040 1070067638 /nfs/dbraw/zinc/06/76/38/1070067638.db2.gz RAEIGEMPNMDMNY-BJLUOBIUSA-N 1 0 455.624 3.869 20 0 JHADRO CCOC(=O)c1sc2ccccc2c1CN1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC001307601807 1070075580 /nfs/dbraw/zinc/07/55/80/1070075580.db2.gz ALZUFQJETCVERM-FQEVSTJZSA-N 1 0 456.583 3.938 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001307599650 1070073901 /nfs/dbraw/zinc/07/39/01/1070073901.db2.gz PAIDWERIMCSLGF-JOCHJYFZSA-N 1 0 457.537 3.980 20 0 JHADRO CCNC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c1 ZINC001307599568 1070073939 /nfs/dbraw/zinc/07/39/39/1070073939.db2.gz MFQVRKJFYLZYTL-NDEPHWFRSA-N 1 0 457.574 3.711 20 0 JHADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)cc2)CC1 ZINC001312672690 1070074691 /nfs/dbraw/zinc/07/46/91/1070074691.db2.gz WYGLWXXJZLPPEB-UHFFFAOYSA-N 1 0 458.990 3.961 20 0 JHADRO C[C@H](c1nc(Cc2ccc(F)cc2)no1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001307599929 1070075317 /nfs/dbraw/zinc/07/53/17/1070075317.db2.gz VVWUBJILKPPUOV-LJQANCHMSA-N 1 0 457.594 3.565 20 0 JHADRO CCOCc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)cc1 ZINC001314293879 1070076212 /nfs/dbraw/zinc/07/62/12/1070076212.db2.gz NAHQERIMTVLVES-LJQANCHMSA-N 1 0 453.587 3.588 20 0 JHADRO CCC[C@@H]1CN([C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC[N@@H+]1Cc1ccccc1 ZINC001307607936 1070079849 /nfs/dbraw/zinc/07/98/49/1070079849.db2.gz PKXSBBXPJOGSMI-GMKZXUHWSA-N 1 0 451.611 3.660 20 0 JHADRO CCOCc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001314294512 1070077486 /nfs/dbraw/zinc/07/74/86/1070077486.db2.gz CDOPPWUSJYQEGL-LJQANCHMSA-N 1 0 485.032 3.735 20 0 JHADRO CCOCc1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001314294724 1070078085 /nfs/dbraw/zinc/07/80/85/1070078085.db2.gz YBVYMVJVQZVEAG-QGZVFWFLSA-N 1 0 451.562 3.526 20 0 JHADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001307621952 1070084203 /nfs/dbraw/zinc/08/42/03/1070084203.db2.gz AKPPUSJYUFXNMO-QFIPXVFZSA-N 1 0 457.983 3.808 20 0 JHADRO CCOCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CCC(=O)N1CCCCC1 ZINC001314301431 1070085705 /nfs/dbraw/zinc/08/57/05/1070085705.db2.gz DJYCPHSIUPALHJ-UPVQGACJSA-N 1 0 482.673 3.707 20 0 JHADRO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC001307626851 1070088008 /nfs/dbraw/zinc/08/80/08/1070088008.db2.gz PNTXCKOZXKSTIG-LLVKDONJSA-N 1 0 457.474 3.640 20 0 JHADRO CCOCc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314304819 1070091345 /nfs/dbraw/zinc/09/13/45/1070091345.db2.gz VHVCROFOBTVQMP-IRLDBZIGSA-N 1 0 490.718 3.506 20 0 JHADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001307634610 1070092996 /nfs/dbraw/zinc/09/29/96/1070092996.db2.gz DVKQYMZBGUKZJQ-HUUCEWRRSA-N 1 0 450.004 3.757 20 0 JHADRO CC1(C)C[C@H]([N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)Cc2ccccc2)C(C)(C)O1 ZINC001307637836 1070094659 /nfs/dbraw/zinc/09/46/59/1070094659.db2.gz VBIFPDXEMHNMDJ-NRFANRHFSA-N 1 0 452.534 3.588 20 0 JHADRO CNS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)cc1 ZINC001307640605 1070096067 /nfs/dbraw/zinc/09/60/67/1070096067.db2.gz SEULZCGYYIEOIB-HSZRJFAPSA-N 1 0 454.592 3.994 20 0 JHADRO CCOCc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314309139 1070096144 /nfs/dbraw/zinc/09/61/44/1070096144.db2.gz PUOYKMBTECDLSW-SFHVURJKSA-N 1 0 483.514 3.645 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CN(CC)c3ccccc3O2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314310016 1070097758 /nfs/dbraw/zinc/09/77/58/1070097758.db2.gz UXUWHXDMNWMSMZ-BHDDXSALSA-N 1 0 470.662 3.659 20 0 JHADRO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC001307670931 1070114471 /nfs/dbraw/zinc/11/44/71/1070114471.db2.gz VTWJTILTBOGIIK-FUHWJXTLSA-N 1 0 456.591 3.652 20 0 JHADRO Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n(-c2ccc(F)cc2)n1 ZINC001307669487 1070113587 /nfs/dbraw/zinc/11/35/87/1070113587.db2.gz HCQVNXWHLBWDOT-MSOLQXFVSA-N 1 0 459.566 3.884 20 0 JHADRO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC001307685709 1070124671 /nfs/dbraw/zinc/12/46/71/1070124671.db2.gz XYZPEBAHZCXZOP-NPMXOYFQSA-N 1 0 459.568 3.581 20 0 JHADRO C[NH+](C)[C@H]1CCCN(Cc2nc3c(Br)cc(Br)cc3c(=O)[nH]2)CC1 ZINC001307681175 1070122109 /nfs/dbraw/zinc/12/21/09/1070122109.db2.gz NJDZDFTXVMISKP-LBPRGKRZSA-N 1 0 458.198 3.777 20 0 JHADRO CCOCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCc1ccc(OC)c(Br)c1 ZINC001314329204 1070120049 /nfs/dbraw/zinc/12/00/49/1070120049.db2.gz WJVPWWGIBCBKJO-SJLPKXTDSA-N 1 0 478.435 3.501 20 0 JHADRO COc1ccc([C@@H](CNC(=O)C[NH2+][C@](C)(CO)c2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC001307691051 1070128165 /nfs/dbraw/zinc/12/81/65/1070128165.db2.gz BEHDXWQDIPRKIO-UFHPHHKVSA-N 1 0 457.574 3.922 20 0 JHADRO C[C@@H]([NH2+]CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)c1cc2ccccc2s1 ZINC001307690160 1070128275 /nfs/dbraw/zinc/12/82/75/1070128275.db2.gz QHWOILFANNUMLX-MRXNPFEDSA-N 1 0 457.621 3.782 20 0 JHADRO CCOCc1nnc(N2CCC(C)(COC)CC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314331772 1070125287 /nfs/dbraw/zinc/12/52/87/1070125287.db2.gz IWGITSAXAOIGKJ-UHFFFAOYSA-N 1 0 455.647 3.904 20 0 JHADRO CCOCc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001314333455 1070127878 /nfs/dbraw/zinc/12/78/78/1070127878.db2.gz CTKNLOJUBNJFOP-CTNGQTDRSA-N 1 0 478.682 3.819 20 0 JHADRO CCOCc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001314336554 1070130945 /nfs/dbraw/zinc/13/09/45/1070130945.db2.gz XBBVRZOSLRRUKN-NRFANRHFSA-N 1 0 461.573 3.609 20 0 JHADRO COC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)CC1 ZINC001307694844 1070131763 /nfs/dbraw/zinc/13/17/63/1070131763.db2.gz BXKYPIUDUVUJCC-GCJKJVERSA-N 1 0 452.555 3.722 20 0 JHADRO CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCN(Cc3ccco3)CC2)cc1 ZINC001307700292 1070135140 /nfs/dbraw/zinc/13/51/40/1070135140.db2.gz QHSTYBVNLYBFFX-RPBOFIJWSA-N 1 0 455.599 3.692 20 0 JHADRO COc1ccc(CNC(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(OC)n1 ZINC001312806104 1070133900 /nfs/dbraw/zinc/13/39/00/1070133900.db2.gz NKXUPLFTPXCPMX-WNCULLNHSA-N 1 0 460.578 3.956 20 0 JHADRO O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC001307705065 1070135956 /nfs/dbraw/zinc/13/59/56/1070135956.db2.gz ILLNJPMJKKXEMQ-FYYLOGMGSA-N 1 0 452.378 3.952 20 0 JHADRO O=C(C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001307704174 1070135991 /nfs/dbraw/zinc/13/59/91/1070135991.db2.gz AZNVUENXIHNXER-CJNGLKHVSA-N 1 0 452.304 3.657 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@H](C)C1 ZINC001307707747 1070136799 /nfs/dbraw/zinc/13/67/99/1070136799.db2.gz KDERTWXGCCLIJD-IRLDBZIGSA-N 1 0 455.647 3.835 20 0 JHADRO CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[NH2+][C@@H]3CC[C@H](C)C[C@@H]3C)C2=O)cc1 ZINC001307708619 1070137994 /nfs/dbraw/zinc/13/79/94/1070137994.db2.gz NDIALPSXKKWVKA-ZCUFPXKASA-N 1 0 459.612 3.652 20 0 JHADRO CCOCc1nnc(N2CCC(c3cnn(C)c3)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314341302 1070140191 /nfs/dbraw/zinc/14/01/91/1070140191.db2.gz YTVIXTGSZQWXPK-SFTDATJTSA-N 1 0 457.667 3.690 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314340689 1070138706 /nfs/dbraw/zinc/13/87/06/1070138706.db2.gz CJSJFSVBXYXRDS-RBUKOAKNSA-N 1 0 474.616 3.646 20 0 JHADRO CCOCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001314341091 1070140285 /nfs/dbraw/zinc/14/02/85/1070140285.db2.gz GBKWQIXIYIUJOV-CTNGQTDRSA-N 1 0 476.666 3.525 20 0 JHADRO CCOCc1nnc(N2CCC(c3ccc(OC)cc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314340711 1070139427 /nfs/dbraw/zinc/13/94/27/1070139427.db2.gz SNDVNPDFLOOCNA-DEOSSOPVSA-N 1 0 459.660 3.645 20 0 JHADRO CCOc1cccc(N2CCN(C(=O)NC[C@@H](c3ccc(CC(C)C)cc3)[NH+](C)C)CC2)n1 ZINC001312819058 1070140540 /nfs/dbraw/zinc/14/05/40/1070140540.db2.gz UKDFCHNPHCERLH-QHCPKHFHSA-N 1 0 453.631 3.813 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001314342172 1070142617 /nfs/dbraw/zinc/14/26/17/1070142617.db2.gz QCGCHPHVUBAJAA-URXFXBBRSA-N 1 0 455.647 3.978 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CCO[C@H](C)C1 ZINC001314342171 1070142685 /nfs/dbraw/zinc/14/26/85/1070142685.db2.gz QCGCHPHVUBAJAA-QPPBQGQZSA-N 1 0 455.647 3.978 20 0 JHADRO O=S(=O)(C1CC[NH+](Cc2cccc(OCc3ccc(F)cc3F)c2)CC1)N1CCCC1 ZINC001307722067 1070146044 /nfs/dbraw/zinc/14/60/44/1070146044.db2.gz PHOVDJQEYBBSCR-UHFFFAOYSA-N 1 0 450.551 3.934 20 0 JHADRO COc1ccc(CN(CCO)C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001312822633 1070143091 /nfs/dbraw/zinc/14/30/91/1070143091.db2.gz MTHHKPKYTAIJIL-JOCHJYFZSA-N 1 0 455.599 3.510 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001314342363 1070143429 /nfs/dbraw/zinc/14/34/29/1070143429.db2.gz SUHPHVNVQXLTBZ-OAQYLSRUSA-N 1 0 478.682 3.771 20 0 JHADRO CCOCc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314344987 1070149807 /nfs/dbraw/zinc/14/98/07/1070149807.db2.gz DKIUJOMQUKEGLQ-VQTJNVASSA-N 1 0 478.682 3.676 20 0 JHADRO CCOCc1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001314348792 1070160725 /nfs/dbraw/zinc/16/07/25/1070160725.db2.gz HXVNOSBRRIWEKQ-NBGIEHNGSA-N 1 0 459.610 3.564 20 0 JHADRO CCOCc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001314348753 1070160769 /nfs/dbraw/zinc/16/07/69/1070160769.db2.gz GNHPICAHAJFYLD-RUZDIDTESA-N 1 0 459.610 3.564 20 0 JHADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)NCc1cccc(Br)c1Cl ZINC001312870871 1070160824 /nfs/dbraw/zinc/16/08/24/1070160824.db2.gz YPRABSHIUNWYAI-KRWDZBQOSA-N 1 0 452.780 3.669 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)c2ccccc2)cc1 ZINC001307742337 1070161151 /nfs/dbraw/zinc/16/11/51/1070161151.db2.gz PJYFODFKFPETGA-DNQXCXABSA-N 1 0 451.592 3.563 20 0 JHADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)CC2)cc1 ZINC001307745218 1070162797 /nfs/dbraw/zinc/16/27/97/1070162797.db2.gz CTCWUPMYJKOAGX-BJKOFHAPSA-N 1 0 453.652 3.530 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC001312885139 1070167272 /nfs/dbraw/zinc/16/72/72/1070167272.db2.gz KMXLLYAFEWVBHJ-CEMLEFRQSA-N 1 0 465.516 3.575 20 0 JHADRO Cc1cc(C)c(CCNC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001307773331 1070177631 /nfs/dbraw/zinc/17/76/31/1070177631.db2.gz HMUAKMKLLWMAPI-NOZRDPDXSA-N 1 0 473.658 3.665 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@H+](CC(=O)NCCCOC3CCCCC3)C2)C1 ZINC001307773095 1070177846 /nfs/dbraw/zinc/17/78/46/1070177846.db2.gz KMSJDGFPMDBBJZ-RTWAWAEBSA-N 1 0 451.652 3.811 20 0 JHADRO CCOCc1nnc(N2CCC(OCc3ccccc3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314353202 1070173849 /nfs/dbraw/zinc/17/38/49/1070173849.db2.gz WGDRJYWMWCPSRF-SZPZYZBQSA-N 1 0 485.673 3.888 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001314359412 1070182004 /nfs/dbraw/zinc/18/20/04/1070182004.db2.gz BWLISTKXMDSWCQ-SFHVURJKSA-N 1 0 490.052 3.593 20 0 JHADRO C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312925852 1070183462 /nfs/dbraw/zinc/18/34/62/1070183462.db2.gz KERLXWKCTTXOEL-KDQFFHPLSA-N 1 0 473.658 3.561 20 0 JHADRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCC2(CC1)OCCCO2 ZINC001307791835 1070183619 /nfs/dbraw/zinc/18/36/19/1070183619.db2.gz SSZVUXVKNOMKSO-HXUWFJFHSA-N 1 0 451.567 3.687 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001314362867 1070188234 /nfs/dbraw/zinc/18/82/34/1070188234.db2.gz AHLXBHLYEAGSSN-NJYVYQBISA-N 1 0 486.627 3.790 20 0 JHADRO C[C@H]([NH2+]C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)c1ccc(N2CCCNC2=O)cc1 ZINC001307802540 1070189497 /nfs/dbraw/zinc/18/94/97/1070189497.db2.gz FEXYIPKFLKRWJS-HCYUJWNOSA-N 1 0 458.603 3.673 20 0 JHADRO C[C@H](NC(=O)C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001307810270 1070193347 /nfs/dbraw/zinc/19/33/47/1070193347.db2.gz ASZHSDQWHABYQP-AOMKIAJQSA-N 1 0 454.464 3.829 20 0 JHADRO CC[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCOC(C)(C)C1 ZINC001307810586 1070194144 /nfs/dbraw/zinc/19/41/44/1070194144.db2.gz CYNZVPLKDJFOBM-GOSISDBHSA-N 1 0 453.539 3.886 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001314366154 1070198154 /nfs/dbraw/zinc/19/81/54/1070198154.db2.gz OYCRDBHMXJVZDW-FCHUYYIVSA-N 1 0 467.618 3.755 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC001307821248 1070200113 /nfs/dbraw/zinc/20/01/13/1070200113.db2.gz VSKBWSLAJQVJTC-ZJSXRUAMSA-N 1 0 457.615 3.750 20 0 JHADRO CCOCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001314367640 1070201332 /nfs/dbraw/zinc/20/13/32/1070201332.db2.gz MAESSJGPWIRTER-KRWDZBQOSA-N 1 0 453.509 3.668 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](c3nc(C)c(C)s3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314368017 1070202716 /nfs/dbraw/zinc/20/27/16/1070202716.db2.gz RYCYWHNEACOAGY-XMSQKQJNSA-N 1 0 464.705 3.709 20 0 JHADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)CC1 ZINC001307830666 1070204445 /nfs/dbraw/zinc/20/44/45/1070204445.db2.gz CESMTHVIWWDAMV-FGZHOGPDSA-N 1 0 454.558 3.718 20 0 JHADRO CN(C[C@@H](O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(=O)OC(C)(C)C ZINC001307832144 1070205165 /nfs/dbraw/zinc/20/51/65/1070205165.db2.gz JFZLNZIHKRMTSR-KMDXXIMOSA-N 1 0 457.590 3.611 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001314369923 1070206080 /nfs/dbraw/zinc/20/60/80/1070206080.db2.gz TYJLXUWISJQEAU-VWNXMTODSA-N 1 0 465.646 3.990 20 0 JHADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1(C)C ZINC001307838327 1070206575 /nfs/dbraw/zinc/20/65/75/1070206575.db2.gz UEWRQKGEIKRLNZ-DLBZAZTESA-N 1 0 476.971 3.974 20 0 JHADRO COC(=O)c1ccc(C[NH+]2CCC([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)cc1F ZINC001307840610 1070208032 /nfs/dbraw/zinc/20/80/32/1070208032.db2.gz SZYSBVHWOVDNFJ-WIYYLYMNSA-N 1 0 450.551 3.897 20 0 JHADRO CSc1ccccc1OC[C@@H](O)C[N@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)C(C)C ZINC001307845210 1070209893 /nfs/dbraw/zinc/20/98/93/1070209893.db2.gz RJHXNODSAFGPGH-IBGZPJMESA-N 1 0 459.612 3.824 20 0 JHADRO CCOc1cc(C[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)nc2nc(C(F)(F)F)nn21 ZINC001307851724 1070211553 /nfs/dbraw/zinc/21/15/53/1070211553.db2.gz UTKRBHJGLAOAQZ-AWEZNQCLSA-N 1 0 457.497 3.876 20 0 JHADRO CCOCc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001314374187 1070212584 /nfs/dbraw/zinc/21/25/84/1070212584.db2.gz AJVGVTUHYJTKSI-QFIPXVFZSA-N 1 0 489.064 3.695 20 0 JHADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001312991599 1070214292 /nfs/dbraw/zinc/21/42/92/1070214292.db2.gz MNVAPRJCJFLWEV-IBGZPJMESA-N 1 0 450.421 3.839 20 0 JHADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313007735 1070219038 /nfs/dbraw/zinc/21/90/38/1070219038.db2.gz LTUZBVKQMJHKQV-YUXAGFNASA-N 1 0 462.610 3.948 20 0 JHADRO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c1C ZINC001307877444 1070220496 /nfs/dbraw/zinc/22/04/96/1070220496.db2.gz MCDHQPVWQBWZKE-HXUWFJFHSA-N 1 0 454.546 3.509 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH+]2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)CC1 ZINC001307879345 1070221343 /nfs/dbraw/zinc/22/13/43/1070221343.db2.gz KNYULOLYLYEONA-RUZDIDTESA-N 1 0 455.603 3.803 20 0 JHADRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@H]1c1ccc(Cl)cc1 ZINC001307881773 1070222446 /nfs/dbraw/zinc/22/24/46/1070222446.db2.gz CLEHMUHVEIAHKQ-VWPQPMDRSA-N 1 0 462.924 3.998 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314380671 1070223410 /nfs/dbraw/zinc/22/34/10/1070223410.db2.gz AIGBQSMECAIDQQ-IBGZPJMESA-N 1 0 488.683 3.511 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314382986 1070226378 /nfs/dbraw/zinc/22/63/78/1070226378.db2.gz IVDIPRSNNCKZCW-SKCUWOTOSA-N 1 0 496.700 3.525 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001314384649 1070229226 /nfs/dbraw/zinc/22/92/26/1070229226.db2.gz HJOFOWBHDCOVFL-QHCPKHFHSA-N 1 0 484.645 3.538 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314387968 1070237041 /nfs/dbraw/zinc/23/70/41/1070237041.db2.gz FKHOSFWFUTXIHM-QHAWAJNXSA-N 1 0 475.707 3.522 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314388479 1070238826 /nfs/dbraw/zinc/23/88/26/1070238826.db2.gz JRVYTKHGIIAVJH-PCCBWWKXSA-N 1 0 489.734 3.911 20 0 JHADRO COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001313089054 1070247095 /nfs/dbraw/zinc/24/70/95/1070247095.db2.gz DGGZYHQMMURYFR-UQBPGWFLSA-N 1 0 455.599 3.727 20 0 JHADRO CNC(=O)[C@@H](NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCCC1)c1ccccc1 ZINC001307922827 1070244050 /nfs/dbraw/zinc/24/40/50/1070244050.db2.gz BHAFSAQSGPGZMZ-NRFANRHFSA-N 1 0 458.400 3.802 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001314390599 1070244635 /nfs/dbraw/zinc/24/46/35/1070244635.db2.gz MJSNIMWPGJIIKD-RTWAWAEBSA-N 1 0 458.626 3.933 20 0 JHADRO O=C(N1CCC[C@@H](C2CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1)C(F)(F)F ZINC001307939985 1070250781 /nfs/dbraw/zinc/25/07/81/1070250781.db2.gz BTZDGLBDUUEEQO-RTWAWAEBSA-N 1 0 451.533 3.691 20 0 JHADRO CCOCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1cc(Cl)ccc1OC ZINC001314399032 1070258550 /nfs/dbraw/zinc/25/85/50/1070258550.db2.gz RJVOVONHRMCTOC-BGYRXZFFSA-N 1 0 491.080 3.520 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC(=O)Nc1c(C)cccc1C ZINC001314398914 1070258633 /nfs/dbraw/zinc/25/86/33/1070258633.db2.gz NFYHEUJOUGRFAZ-UHFFFAOYSA-N 1 0 456.635 3.628 20 0 JHADRO CCOCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1Cc1ccc(C)cc1SC ZINC001314398834 1070258675 /nfs/dbraw/zinc/25/86/75/1070258675.db2.gz OVMHLEKBYIVSDX-VXKWHMMOSA-N 1 0 486.730 3.888 20 0 JHADRO CCOCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001314399576 1070259612 /nfs/dbraw/zinc/25/96/12/1070259612.db2.gz YZUKWUDQNUISTG-YPAWHYETSA-N 1 0 472.653 3.752 20 0 JHADRO CCOCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CC(C)(C)c1cccc(F)c1 ZINC001314399585 1070259727 /nfs/dbraw/zinc/25/97/27/1070259727.db2.gz ZCJBVRAKOHKWMR-FGZHOGPDSA-N 1 0 486.680 3.926 20 0 JHADRO Cc1cccc(C[C@]2(C)CCC[N@@H+]2CC(=O)NCC(=O)Nc2ccccc2Br)c1 ZINC001307972002 1070263824 /nfs/dbraw/zinc/26/38/24/1070263824.db2.gz HPVUZKRIAJWNEI-QHCPKHFHSA-N 1 0 458.400 3.909 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@]2(C)CCCC[C@@H]2O)cc1 ZINC001313134145 1070263913 /nfs/dbraw/zinc/26/39/13/1070263913.db2.gz YJFKAFMBZQQICE-SFIUMABJSA-N 1 0 451.611 3.904 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001314402704 1070264511 /nfs/dbraw/zinc/26/45/11/1070264511.db2.gz AGVCLEZTIUBMHA-HSZRJFAPSA-N 1 0 455.647 3.978 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccccc3C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314404187 1070267324 /nfs/dbraw/zinc/26/73/24/1070267324.db2.gz PGNHKFSMMBJXQJ-OAQYLSRUSA-N 1 0 459.660 3.528 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CC[NH+](C(C)C)C(C)C ZINC001314405514 1070269011 /nfs/dbraw/zinc/26/90/11/1070269011.db2.gz DCEKWGUKLHELLD-NRFANRHFSA-N 1 0 451.562 3.790 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001314408846 1070272980 /nfs/dbraw/zinc/27/29/80/1070272980.db2.gz PZKFTPNWUNPRPH-FXAWDEMLSA-N 1 0 467.536 3.896 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](COc3ccccc3)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314408505 1070273012 /nfs/dbraw/zinc/27/30/12/1070273012.db2.gz NZFZFINJZBLIRO-AOHZBQACSA-N 1 0 485.673 3.855 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314409381 1070274263 /nfs/dbraw/zinc/27/42/63/1070274263.db2.gz NONCVHHQIHWMIV-SFTDATJTSA-N 1 0 455.628 3.627 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001313163480 1070275357 /nfs/dbraw/zinc/27/53/57/1070275357.db2.gz OKBOHUUWIFPHHP-MCEYFSPLSA-N 1 0 456.631 3.987 20 0 JHADRO COc1ccc(CN2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)cc1F ZINC001313164502 1070275373 /nfs/dbraw/zinc/27/53/73/1070275373.db2.gz MZDYOZNJCZTNOP-HSZRJFAPSA-N 1 0 454.590 3.716 20 0 JHADRO O=C(NCCC1(O)CCN(c2ccccc2)CC1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001313170344 1070278843 /nfs/dbraw/zinc/27/88/43/1070278843.db2.gz BKVBFOZVOLXXBK-VWLOTQADSA-N 1 0 450.627 3.762 20 0 JHADRO Cc1ccc(CN2CCO[C@H](CNC(=O)N3CCCC[C@@H]3CCC(=O)OC(C)(C)C)C2)cc1 ZINC001313169994 1070278884 /nfs/dbraw/zinc/27/88/84/1070278884.db2.gz PQOPSSZSORWSHE-DHIUTWEWSA-N 1 0 459.631 3.882 20 0 JHADRO C[C@@H]1[C@@H](C)N(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)C[C@H](C)N1Cc1ccccc1 ZINC001313177911 1070282794 /nfs/dbraw/zinc/28/27/94/1070282794.db2.gz BHHVCRCQTBRVEK-XTQSJJPXSA-N 1 0 455.624 3.684 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001314417701 1070285072 /nfs/dbraw/zinc/28/50/72/1070285072.db2.gz FENGHZSYHQNQBG-RBUKOAKNSA-N 1 0 480.028 3.959 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001308028174 1070285717 /nfs/dbraw/zinc/28/57/17/1070285717.db2.gz VVEAZTCILQLXDM-BJKOFHAPSA-N 1 0 455.640 3.621 20 0 JHADRO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001308043503 1070289961 /nfs/dbraw/zinc/28/99/61/1070289961.db2.gz IUVRXGPPIJCEKG-UHFFFAOYSA-N 1 0 458.603 3.677 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC001314420846 1070292882 /nfs/dbraw/zinc/29/28/82/1070292882.db2.gz XIBSJGLIUUBUPR-QFIPXVFZSA-N 1 0 482.673 3.703 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001314421759 1070294880 /nfs/dbraw/zinc/29/48/80/1070294880.db2.gz PTKWOECNNLSXHU-AUSIDOKSSA-N 1 0 452.603 3.838 20 0 JHADRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001313217557 1070296246 /nfs/dbraw/zinc/29/62/46/1070296246.db2.gz XWTPOZZWBYBRIT-WUEDSLEZSA-N 1 0 457.659 3.765 20 0 JHADRO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)c(OC)c1 ZINC001308063229 1070298099 /nfs/dbraw/zinc/29/80/99/1070298099.db2.gz BEYJLXKPNBKZIB-BDTNDASRSA-N 1 0 458.599 3.667 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001314423751 1070299188 /nfs/dbraw/zinc/29/91/88/1070299188.db2.gz YWFMNUYSWVDTOU-LJQANCHMSA-N 1 0 457.619 3.700 20 0 JHADRO COC(=O)[C@H](NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1OC(F)(F)F ZINC001308082123 1070306649 /nfs/dbraw/zinc/30/66/49/1070306649.db2.gz CINJRWFNIBEIQC-OAQYLSRUSA-N 1 0 451.489 3.601 20 0 JHADRO C[C@@H]1C[N@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001308075287 1070303658 /nfs/dbraw/zinc/30/36/58/1070303658.db2.gz LHVIZIJHBLJAPI-QFUCXCTJSA-N 1 0 458.628 3.831 20 0 JHADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)CCCCC1 ZINC001313246518 1070303767 /nfs/dbraw/zinc/30/37/67/1070303767.db2.gz GAJNIFVBOZHGKP-NRFANRHFSA-N 1 0 454.537 3.674 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+](CC(=O)NCCCOC1CCCCC1)C2 ZINC001308076120 1070303979 /nfs/dbraw/zinc/30/39/79/1070303979.db2.gz SMQMWFQXNZJHST-VWLOTQADSA-N 1 0 451.652 3.955 20 0 JHADRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001308097945 1070310438 /nfs/dbraw/zinc/31/04/38/1070310438.db2.gz GRCJZQHYLHKHGV-OXJNMPFZSA-N 1 0 450.004 3.797 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001314429898 1070312485 /nfs/dbraw/zinc/31/24/85/1070312485.db2.gz SARUOKPCRRILLT-MQSCRBSSSA-N 1 0 455.647 3.870 20 0 JHADRO CCN(C(=O)NCCc1ccccc1S(=O)(=O)CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001313273518 1070312459 /nfs/dbraw/zinc/31/24/59/1070312459.db2.gz OXZWOSSMLLEWHR-NFBKMPQASA-N 1 0 457.640 3.890 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001314427633 1070307342 /nfs/dbraw/zinc/30/73/42/1070307342.db2.gz ALOMNDUBYNQRPV-HXUWFJFHSA-N 1 0 455.006 3.988 20 0 JHADRO CN1C(=O)C[C@H]([NH2+]C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)[C@H]1c1ccc(F)c(F)c1 ZINC001308083546 1070307409 /nfs/dbraw/zinc/30/74/09/1070307409.db2.gz JHDNNBWEIJGUOX-RBDMOPTHSA-N 1 0 479.568 3.632 20 0 JHADRO COc1cc(CN(C)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1OCc1ccccc1 ZINC001313289329 1070317565 /nfs/dbraw/zinc/31/75/65/1070317565.db2.gz QIIITERZBPFWED-VXKWHMMOSA-N 1 0 455.624 3.995 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001314434300 1070319661 /nfs/dbraw/zinc/31/96/61/1070319661.db2.gz LVGJJBVUVBSIPB-SFTDATJTSA-N 1 0 471.646 3.946 20 0 JHADRO O=C(NCc1cc(Br)ccc1Cl)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001313303623 1070320457 /nfs/dbraw/zinc/32/04/57/1070320457.db2.gz ZHBRVZFQFRUTFZ-FQEVSTJZSA-N 1 0 452.780 3.539 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CC[NH+]([C@H]1CCCN(Cc3ccccc3)C1=O)CC2 ZINC001308127287 1070323470 /nfs/dbraw/zinc/32/34/70/1070323470.db2.gz WGODQSPTCAMRAP-YADHBBJMSA-N 1 0 457.615 3.573 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](C)[NH+](C)C)C1 ZINC001314435358 1070321868 /nfs/dbraw/zinc/32/18/68/1070321868.db2.gz PQZYNOPDIPXZTE-IRXDYDNUSA-N 1 0 450.425 3.829 20 0 JHADRO COc1cc([C@H](C)[NH2+]CC[S@@](=O)c2cc(Cl)ccc2Cl)ccc1S(C)(=O)=O ZINC001308168759 1070333957 /nfs/dbraw/zinc/33/39/57/1070333957.db2.gz UTFSIFJPFRGJJH-GWQKEKGPSA-N 1 0 450.409 3.864 20 0 JHADRO CCC[C@@](C)([NH2+]CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)c1ccccc1 ZINC001308155346 1070330897 /nfs/dbraw/zinc/33/08/97/1070330897.db2.gz YFBMTWFDHLOIIR-UJWNWPGJSA-N 1 0 452.580 3.539 20 0 JHADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001308170742 1070334675 /nfs/dbraw/zinc/33/46/75/1070334675.db2.gz JLUHRZBISAPFJD-JOQQVMPUSA-N 1 0 457.575 3.609 20 0 JHADRO COc1ccccc1[C@@H](CNCc1cn(-c2ccccc2Br)nn1)[NH+]1CCCC1 ZINC001308185848 1070338430 /nfs/dbraw/zinc/33/84/30/1070338430.db2.gz ZXCBUJZUUKXJOT-OAQYLSRUSA-N 1 0 456.388 3.965 20 0 JHADRO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2cnnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001308198175 1070339705 /nfs/dbraw/zinc/33/97/05/1070339705.db2.gz OMNJYIJEGACDDN-HXUWFJFHSA-N 1 0 456.591 3.734 20 0 JHADRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001308206046 1070339961 /nfs/dbraw/zinc/33/99/61/1070339961.db2.gz MHHOIFRCIBMXGQ-UHFFFAOYSA-N 1 0 457.594 3.940 20 0 JHADRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c(OC)c1OC ZINC001308208051 1070341310 /nfs/dbraw/zinc/34/13/10/1070341310.db2.gz SGDLTDKXWJKGLK-GOSISDBHSA-N 1 0 450.576 3.751 20 0 JHADRO CCOCCC1(Cn2c(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)nnc2C(C)(C)C)CC1 ZINC001314448767 1070342855 /nfs/dbraw/zinc/34/28/55/1070342855.db2.gz NYKVMTXAFXMGEF-UHFFFAOYSA-N 1 0 460.711 3.777 20 0 JHADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)CC1 ZINC001308273616 1070349227 /nfs/dbraw/zinc/34/92/27/1070349227.db2.gz BQVILHXHVAXGRO-APWZRJJASA-N 1 0 450.421 3.599 20 0 JHADRO CC(C)[C@@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)NC(=O)OC(C)(C)C ZINC001308262651 1070347427 /nfs/dbraw/zinc/34/74/27/1070347427.db2.gz ZAXAXSWFPSPJPG-HXUWFJFHSA-N 1 0 456.027 3.690 20 0 JHADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC001308328167 1070357111 /nfs/dbraw/zinc/35/71/11/1070357111.db2.gz DDZWIXVGORFDIX-MRXNPFEDSA-N 1 0 453.004 3.767 20 0 JHADRO CCOCCCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001314457275 1070357564 /nfs/dbraw/zinc/35/75/64/1070357564.db2.gz LCQYRLXDTIUBNW-GOSISDBHSA-N 1 0 492.462 3.824 20 0 JHADRO C[NH+]1CCN(c2ccc(CCNC(=O)NC3(c4ccc(Br)cc4)CC3)cc2)CC1 ZINC001313431905 1070357991 /nfs/dbraw/zinc/35/79/91/1070357991.db2.gz HMHWINPKRSPWPG-UHFFFAOYSA-N 1 0 457.416 3.732 20 0 JHADRO CCNC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)cc1OC ZINC001308372462 1070363202 /nfs/dbraw/zinc/36/32/02/1070363202.db2.gz CVLSXIBUZUVKOQ-CQSZACIVSA-N 1 0 451.361 3.832 20 0 JHADRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccc(Br)c3cccnc13)CC2 ZINC001308375066 1070363679 /nfs/dbraw/zinc/36/36/79/1070363679.db2.gz VIXFQEDVILPVSI-HNNXBMFYSA-N 1 0 456.388 3.684 20 0 JHADRO CCOCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001314460362 1070366645 /nfs/dbraw/zinc/36/66/45/1070366645.db2.gz YOVJODDZCNMOOI-LJQANCHMSA-N 1 0 462.038 3.638 20 0 JHADRO CCCN1CCCN(c2nnc(CSc3ccc(C)cc3)n2CC[NH+]2CCCCC2)CC1=O ZINC001313447485 1070367408 /nfs/dbraw/zinc/36/74/08/1070367408.db2.gz BZRFYJMJVNGYPV-UHFFFAOYSA-N 1 0 470.687 3.813 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001313448021 1070369675 /nfs/dbraw/zinc/36/96/75/1070369675.db2.gz OAIRYGFOEDYSNM-VWPQPMDRSA-N 1 0 488.702 3.552 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001313447649 1070368304 /nfs/dbraw/zinc/36/83/04/1070368304.db2.gz LTELFYXFQZUBDD-UXHICEINSA-N 1 0 456.635 3.852 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](OC)C1 ZINC001313447685 1070368548 /nfs/dbraw/zinc/36/85/48/1070368548.db2.gz MRGZFSVSKMAUHF-SFTDATJTSA-N 1 0 457.619 3.842 20 0 JHADRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cnc3c(C)cc(Br)cn23)s1 ZINC001308399016 1070369765 /nfs/dbraw/zinc/36/97/65/1070369765.db2.gz GVYHJUQZNIDTHH-RYUDHWBXSA-N 1 0 451.394 3.572 20 0 JHADRO CCOCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001314461720 1070368905 /nfs/dbraw/zinc/36/89/05/1070368905.db2.gz KINRTPRSFNVXJK-UHFFFAOYSA-N 1 0 480.078 3.951 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001313448531 1070370796 /nfs/dbraw/zinc/37/07/96/1070370796.db2.gz RTNOVCKAVRAZLK-IBGZPJMESA-N 1 0 480.579 3.903 20 0 JHADRO Cc1cc(NCc2cnnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCC[NH+](C)C ZINC001308432795 1070374725 /nfs/dbraw/zinc/37/47/25/1070374725.db2.gz YIASJVXHBXJKQG-HXUWFJFHSA-N 1 0 458.607 3.711 20 0 JHADRO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)C2 ZINC001308430590 1070374860 /nfs/dbraw/zinc/37/48/60/1070374860.db2.gz OWXUBUKJOSPMCO-IZINQKCZSA-N 1 0 457.384 3.728 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)CC ZINC001313448746 1070372296 /nfs/dbraw/zinc/37/22/96/1070372296.db2.gz AQEVOPVCGBXCDY-UNMCSNQZSA-N 1 0 454.667 3.809 20 0 JHADRO O=S1(=O)C[C@H](C[NH2+]Cc2cc(Br)sc2Br)c2ccccc21 ZINC001308414470 1070372390 /nfs/dbraw/zinc/37/23/90/1070372390.db2.gz MJHGPWUDSAGFJS-JTQLQIEISA-N 1 0 451.205 3.934 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC[NH+]1CCCCC1 ZINC001314466290 1070376443 /nfs/dbraw/zinc/37/64/43/1070376443.db2.gz KEANACCNAAMNOI-UHFFFAOYSA-N 1 0 466.424 3.675 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313449967 1070376494 /nfs/dbraw/zinc/37/64/94/1070376494.db2.gz ZVUUQGMPTBHQPK-WMZOPIPTSA-N 1 0 485.986 3.941 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 ZINC001313450282 1070377159 /nfs/dbraw/zinc/37/71/59/1070377159.db2.gz WAJYOJIRNBZUSN-BJLQDIEVSA-N 1 0 488.658 3.706 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001313450563 1070377910 /nfs/dbraw/zinc/37/79/10/1070377910.db2.gz ZDECIEVDWFFBNN-FSSWDIPSSA-N 1 0 489.686 3.533 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001313450377 1070377971 /nfs/dbraw/zinc/37/79/71/1070377971.db2.gz XGKAORXCJIYQCE-QFIPXVFZSA-N 1 0 456.610 3.814 20 0 JHADRO O=C(NCC[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)c1ccc(Br)cn1 ZINC001308462984 1070378606 /nfs/dbraw/zinc/37/86/06/1070378606.db2.gz RARLSXYKPBYUGD-UHFFFAOYSA-N 1 0 450.340 3.703 20 0 JHADRO Cc1ccc(Br)cc1C[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC001308467143 1070379452 /nfs/dbraw/zinc/37/94/52/1070379452.db2.gz VUAMSJYHVHVKRA-UHFFFAOYSA-N 1 0 453.340 3.577 20 0 JHADRO COc1cc(C[NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)ccc1OCC(=O)N1CCOCC1 ZINC001308498580 1070382530 /nfs/dbraw/zinc/38/25/30/1070382530.db2.gz CCYOJZMYEOILNB-BWKNWUBXSA-N 1 0 474.985 3.596 20 0 JHADRO CCOCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314472955 1070383180 /nfs/dbraw/zinc/38/31/80/1070383180.db2.gz WXRXDLLGARPWPP-ZRCGQRJVSA-N 1 0 457.619 3.631 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001313452643 1070383422 /nfs/dbraw/zinc/38/34/22/1070383422.db2.gz ONOIZVRAWLNIHJ-RTWAWAEBSA-N 1 0 472.609 3.597 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001313453202 1070384811 /nfs/dbraw/zinc/38/48/11/1070384811.db2.gz UAIFJULDFVXYDI-PMACEKPBSA-N 1 0 483.583 3.562 20 0 JHADRO COc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)cc(Br)c1OCc1ccccc1 ZINC001308526021 1070385866 /nfs/dbraw/zinc/38/58/66/1070385866.db2.gz FCTDWUJVNUARLJ-KDOFPFPSSA-N 1 0 454.386 3.559 20 0 JHADRO O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(OCc4ccccc4)c(Br)c3)C2)nc[nH]1 ZINC001308543421 1070387836 /nfs/dbraw/zinc/38/78/36/1070387836.db2.gz IRVMVDVKJXIQDF-SFHVURJKSA-N 1 0 455.356 3.892 20 0 JHADRO CCCn1nc(-c2nnc(N(CC)CC3CCC3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001313454614 1070389214 /nfs/dbraw/zinc/38/92/14/1070389214.db2.gz UEMQWYKJOWMTDG-SFHVURJKSA-N 1 0 451.619 3.642 20 0 JHADRO CC(C)(C)OC(=O)N1CC(c2cc(C[NH+]3CCC(C(=O)Nc4ccc(O)cc4)CC3)on2)C1 ZINC001308594404 1070397178 /nfs/dbraw/zinc/39/71/78/1070397178.db2.gz KEMRMMRZPCHABW-UHFFFAOYSA-N 1 0 456.543 3.565 20 0 JHADRO CCCn1nc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CC[NH+](C(C)C)C(C)C)c2ccccc2c1=O ZINC001313458353 1070402975 /nfs/dbraw/zinc/40/29/75/1070402975.db2.gz DOKXIZNMOPQIFR-KNQAVFIVSA-N 1 0 483.636 3.978 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001313459245 1070405887 /nfs/dbraw/zinc/40/58/87/1070405887.db2.gz GNRUEOMRQLOCSJ-FGZHOGPDSA-N 1 0 468.646 3.571 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001313460653 1070412160 /nfs/dbraw/zinc/41/21/60/1070412160.db2.gz SZXUKYUAAZGPGV-UXHICEINSA-N 1 0 490.599 3.773 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2CCc2ccccc2F)C[C@H]1CC ZINC001314494894 1070411846 /nfs/dbraw/zinc/41/18/46/1070411846.db2.gz CWTQOWSACDNUIB-JOCHJYFZSA-N 1 0 452.578 3.659 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2nccc(C(F)(F)F)n2)C[C@H]1CC ZINC001314493101 1070406879 /nfs/dbraw/zinc/40/68/79/1070406879.db2.gz FHLVJJRHKQRMKV-QGZVFWFLSA-N 1 0 483.583 3.564 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)C)C[C@H]1CC ZINC001314493912 1070409162 /nfs/dbraw/zinc/40/91/62/1070409162.db2.gz MLPQUBMVHWEEEJ-JOCHJYFZSA-N 1 0 456.635 3.740 20 0 JHADRO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1N1CCO[C@@H](C)C1 ZINC001308661675 1070413412 /nfs/dbraw/zinc/41/34/12/1070413412.db2.gz CIZBLWTYBPJJGP-MBSDFSHPSA-N 1 0 454.567 3.591 20 0 JHADRO CCOCCN1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314495510 1070413569 /nfs/dbraw/zinc/41/35/69/1070413569.db2.gz IAYVIDKHLHXZJV-JOCHJYFZSA-N 1 0 454.663 3.614 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cnn1C ZINC001308668573 1070414082 /nfs/dbraw/zinc/41/40/82/1070414082.db2.gz KJSIUNMBBTYLJG-NGYIFUPDSA-N 1 0 455.647 3.522 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)cc2)C[C@@H]1CC ZINC001314495822 1070415324 /nfs/dbraw/zinc/41/53/24/1070415324.db2.gz LBCUWSPKESHKMT-QFIPXVFZSA-N 1 0 452.578 3.773 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)nn1 ZINC001308685654 1070418342 /nfs/dbraw/zinc/41/83/42/1070418342.db2.gz LDJIODRUXIQGML-AWEZNQCLSA-N 1 0 451.365 3.527 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CC2(OC)CCC(C)CC2)C[C@@H]1CC ZINC001314496810 1070418887 /nfs/dbraw/zinc/41/88/87/1070418887.db2.gz UVDDALDHNXOLPX-HCYSDIRSSA-N 1 0 470.662 3.873 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CC2(OC)CCC(C)CC2)C[C@H]1CC ZINC001314496807 1070418917 /nfs/dbraw/zinc/41/89/17/1070418917.db2.gz UVDDALDHNXOLPX-GUXMJAIHSA-N 1 0 470.662 3.873 20 0 JHADRO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)C(=O)C1 ZINC001308701966 1070421777 /nfs/dbraw/zinc/42/17/77/1070421777.db2.gz QOOHCHMMAOTRSH-QFIPXVFZSA-N 1 0 450.583 3.792 20 0 JHADRO CCOc1ccc(Oc2c(CN3CC[N@H+](CCO)[C@H](C)C3)c(C)nn2-c2ccccc2)cc1 ZINC001308710408 1070422882 /nfs/dbraw/zinc/42/28/82/1070422882.db2.gz UJCVGSCCEKKADR-HXUWFJFHSA-N 1 0 450.583 3.870 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCS2)C[C@@H]1CC ZINC001314498741 1070424636 /nfs/dbraw/zinc/42/46/36/1070424636.db2.gz GAKQHVBGVZNKTL-RBUKOAKNSA-N 1 0 479.641 3.980 20 0 JHADRO COC(=O)[C@H]1[C@H](C[NH+]2CCC(c3nc(-c4ccccc4Br)no3)CC2)C1(F)F ZINC001308737100 1070428467 /nfs/dbraw/zinc/42/84/67/1070428467.db2.gz XXHDUFGAGOIIQZ-DZGCQCFKSA-N 1 0 456.287 3.733 20 0 JHADRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC001308735150 1070428492 /nfs/dbraw/zinc/42/84/92/1070428492.db2.gz MCFFFAIPTIHFRO-NQIIRXRSSA-N 1 0 451.537 3.837 20 0 JHADRO CC(=O)N(c1nc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)cs1)c1ccc(F)cc1F ZINC001308728261 1070426821 /nfs/dbraw/zinc/42/68/21/1070426821.db2.gz NEJFUBUNYFPWDO-HNNXBMFYSA-N 1 0 450.555 3.791 20 0 JHADRO COC(=O)c1cccc(NC2CC[NH+](C[C@H]3CC(F)(F)CN3C(=O)OC(C)(C)C)CC2)c1 ZINC001308744808 1070429369 /nfs/dbraw/zinc/42/93/69/1070429369.db2.gz YPNUTVOBEGJGMQ-LJQANCHMSA-N 1 0 453.530 3.994 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC)n2Cc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1CC ZINC001314500361 1070430783 /nfs/dbraw/zinc/43/07/83/1070430783.db2.gz UOTIWIUMHAAKDK-QFIPXVFZSA-N 1 0 465.646 3.628 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC2CC(F)(F)C2)C[C@@H]1CC ZINC001314500325 1070430811 /nfs/dbraw/zinc/43/08/11/1070430811.db2.gz SOPQYDHAXGJQHD-FQEVSTJZSA-N 1 0 465.564 3.990 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cccc(F)c2)C[C@@H]1CC ZINC001314500541 1070431426 /nfs/dbraw/zinc/43/14/26/1070431426.db2.gz JPVHQKJGKYACDL-GOTSBHOMSA-N 1 0 459.610 3.839 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cscc2C(F)(F)F)C[C@H]1CC ZINC001314501054 1070432260 /nfs/dbraw/zinc/43/22/60/1070432260.db2.gz NFRBAWGLMVILBN-FUHWJXTLSA-N 1 0 487.592 3.848 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)C1(C)C ZINC001308761858 1070432539 /nfs/dbraw/zinc/43/25/39/1070432539.db2.gz FFCAXZCZWGBFBS-MPCDZSKCSA-N 1 0 456.587 3.693 20 0 JHADRO CC(C)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)[C@H](O)C(F)(F)F ZINC001308761318 1070432638 /nfs/dbraw/zinc/43/26/38/1070432638.db2.gz VUXYIKXUVDLYET-WMZOPIPTSA-N 1 0 459.336 3.742 20 0 JHADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@@H](CO)Cc3ccc(F)c(Br)c3)C2)C1 ZINC001308768169 1070434214 /nfs/dbraw/zinc/43/42/14/1070434214.db2.gz YUAKFKQXPFARTJ-HNNXBMFYSA-N 1 0 457.384 3.728 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(F)c(F)c2F)C[C@H]1CC ZINC001314502576 1070437459 /nfs/dbraw/zinc/43/74/59/1070437459.db2.gz BQCBYXJUYUBYFF-UYAOXDASSA-N 1 0 481.563 3.727 20 0 JHADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2c(Br)cc(F)c(F)c2N2CCCCC2)C1 ZINC001308797327 1070439643 /nfs/dbraw/zinc/43/96/43/1070439643.db2.gz XRBSHPZXFAITRR-ZDUSSCGKSA-N 1 0 451.377 3.632 20 0 JHADRO CCOCCOc1cc(C)ccc1Cn1c(CC(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001314503876 1070442025 /nfs/dbraw/zinc/44/20/25/1070442025.db2.gz WOYCRBLAGDRPFB-GGAORHGYSA-N 1 0 455.647 3.922 20 0 JHADRO C[C@H]([NH2+]Cc1c(CNC(=O)OC(C)(C)C)cnn1C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001308839810 1070445916 /nfs/dbraw/zinc/44/59/16/1070445916.db2.gz HFHORFAXSDHFKG-RYQLBKOJSA-N 1 0 450.624 3.927 20 0 JHADRO COCO[C@@H](C)c1cc(F)c(CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Br ZINC001308841842 1070446630 /nfs/dbraw/zinc/44/66/30/1070446630.db2.gz VGVNSSLUMJUVLQ-WMZOPIPTSA-N 1 0 459.400 3.956 20 0 JHADRO CNC(=O)[C@H](C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001308848768 1070447501 /nfs/dbraw/zinc/44/75/01/1070447501.db2.gz RBEQCMHXXDCZPD-ROUUACIJSA-N 1 0 459.553 3.997 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2cc(C3CN(C(=O)OC(C)(C)C)C3)no2)C1 ZINC001308820342 1070443651 /nfs/dbraw/zinc/44/36/51/1070443651.db2.gz JWBKFNUACOCRBO-RDJZCZTQSA-N 1 0 450.580 3.792 20 0 JHADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)c(Br)c1 ZINC001308862199 1070450665 /nfs/dbraw/zinc/45/06/65/1070450665.db2.gz AADMDNWRMYQYOD-SFHVURJKSA-N 1 0 453.764 3.884 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H](O)c2cccc3ccccc32)cnn1C ZINC001308860325 1070450689 /nfs/dbraw/zinc/45/06/89/1070450689.db2.gz PNAGQIJWDQXHIW-CYFREDJKSA-N 1 0 452.599 3.888 20 0 JHADRO COC(=O)[C@H]1[C@@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)C1(F)F ZINC001308861372 1070450756 /nfs/dbraw/zinc/45/07/56/1070450756.db2.gz XWTOWRCTPPLBRT-JHDROBOHSA-N 1 0 472.504 3.571 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C[C@@H]1c1ccccc1 ZINC001308868610 1070451657 /nfs/dbraw/zinc/45/16/57/1070451657.db2.gz QALIUCAIBFPFKU-XRXFAXGQSA-N 1 0 451.633 3.577 20 0 JHADRO C[C@H](C[NH2+]Cc1ccc(-c2ccc(OCC(N)=O)cc2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC001308872839 1070452355 /nfs/dbraw/zinc/45/23/55/1070452355.db2.gz BWRFNTHOICBCJO-GOSISDBHSA-N 1 0 452.576 3.515 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314506882 1070453822 /nfs/dbraw/zinc/45/38/22/1070453822.db2.gz SZXJHXNEIOYFPD-GSPCLOLRSA-N 1 0 477.694 3.908 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001313469784 1070455261 /nfs/dbraw/zinc/45/52/61/1070455261.db2.gz GPYCKBVBQUMOFG-JOCHJYFZSA-N 1 0 455.651 3.526 20 0 JHADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1C[C@H](C(=O)OC(C)(C)C)C1 ZINC001308925772 1070460621 /nfs/dbraw/zinc/46/06/21/1070460621.db2.gz JBWRGDFPHHBWJE-KOMQPUFPSA-N 1 0 456.377 3.909 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001313471414 1070462297 /nfs/dbraw/zinc/46/22/97/1070462297.db2.gz KVJDVRXIFPPMLN-UHFFFAOYSA-N 1 0 452.647 3.871 20 0 JHADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1 ZINC001308992049 1070472454 /nfs/dbraw/zinc/47/24/54/1070472454.db2.gz AGQYYTHYNFTSRV-UHFFFAOYSA-N 1 0 459.395 3.923 20 0 JHADRO COC(=O)c1ccc(COc2ccccc2C[NH2+]Cc2cc(=O)n(-c3ccccc3)n2C)cc1 ZINC001308966826 1070468443 /nfs/dbraw/zinc/46/84/43/1070468443.db2.gz BPCVQIRPDVFTLV-UHFFFAOYSA-N 1 0 457.530 3.831 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+][C@@H]3CCN(c4cn[nH]c(=O)c4Cl)C3)CC[C@H]21 ZINC001308973049 1070469535 /nfs/dbraw/zinc/46/95/35/1070469535.db2.gz UXXDRTFGQDFDHG-QBPKDAKJSA-N 1 0 451.999 3.572 20 0 JHADRO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CC[N@@H+]2CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001308990490 1070471586 /nfs/dbraw/zinc/47/15/86/1070471586.db2.gz SCDOTIKFYRVQRN-HOYKHHGWSA-N 1 0 453.624 3.830 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001313475010 1070473962 /nfs/dbraw/zinc/47/39/62/1070473962.db2.gz RJIMZGIRMRWGRL-FQEVSTJZSA-N 1 0 487.092 3.997 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314515926 1070488329 /nfs/dbraw/zinc/48/83/29/1070488329.db2.gz HSLBYZILOOGISS-URXFXBBRSA-N 1 0 496.681 3.745 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001314515984 1070488989 /nfs/dbraw/zinc/48/89/89/1070488989.db2.gz IBKNFHHIUUEQMW-ROUUACIJSA-N 1 0 468.067 3.590 20 0 JHADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001309027915 1070494202 /nfs/dbraw/zinc/49/42/02/1070494202.db2.gz IBDVGADYVZVNDU-UHFFFAOYSA-N 1 0 455.546 3.500 20 0 JHADRO CCCNC(=O)CCn1c(C2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001313482479 1070496233 /nfs/dbraw/zinc/49/62/33/1070496233.db2.gz WLJSYUKKWVBOJA-UHFFFAOYSA-N 1 0 456.610 3.703 20 0 JHADRO CCCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001313485960 1070502621 /nfs/dbraw/zinc/50/26/21/1070502621.db2.gz AAKXREIEIYTOIL-XZOQPEGZSA-N 1 0 482.673 3.873 20 0 JHADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC001309043628 1070503721 /nfs/dbraw/zinc/50/37/21/1070503721.db2.gz NXZHUUGGYFBTQK-UHFFFAOYSA-N 1 0 450.988 3.837 20 0 JHADRO CCCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001313487864 1070505386 /nfs/dbraw/zinc/50/53/86/1070505386.db2.gz BBMZJYLUCRGDRA-UHFFFAOYSA-N 1 0 491.478 3.790 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)C[NH+]1CCCC1 ZINC001314520768 1070505472 /nfs/dbraw/zinc/50/54/72/1070505472.db2.gz IXQVHLSHRKQWTD-LJQANCHMSA-N 1 0 493.743 3.878 20 0 JHADRO CCCNC(=O)Cn1c(C2CCCC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313492197 1070512735 /nfs/dbraw/zinc/51/27/35/1070512735.db2.gz AKAGGBSEBQXHHS-REWPJTCUSA-N 1 0 452.647 3.951 20 0 JHADRO CCCNC(=O)Cn1c(C2CCCC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313492196 1070512766 /nfs/dbraw/zinc/51/27/66/1070512766.db2.gz AKAGGBSEBQXHHS-OFNKIYASSA-N 1 0 452.647 3.951 20 0 JHADRO CC(C)Oc1ccc(F)cc1S(=O)(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001309055629 1070511521 /nfs/dbraw/zinc/51/15/21/1070511521.db2.gz QBECISYVMAOHKI-ROUUACIJSA-N 1 0 450.576 3.701 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)c2cncc(Br)c2)C1 ZINC001309061020 1070515138 /nfs/dbraw/zinc/51/51/38/1070515138.db2.gz DYUCGTSFVXAOMG-HZPDHXFCSA-N 1 0 452.418 3.801 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2cccnc2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001314523904 1070515628 /nfs/dbraw/zinc/51/56/28/1070515628.db2.gz JDNUOGNGMZDZIK-QHCPKHFHSA-N 1 0 496.681 3.513 20 0 JHADRO CCCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313497690 1070518550 /nfs/dbraw/zinc/51/85/50/1070518550.db2.gz QASQWNJNSLQPGC-NFBKMPQASA-N 1 0 480.682 3.946 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001313501211 1070523895 /nfs/dbraw/zinc/52/38/95/1070523895.db2.gz COFHRCMYTXOACE-NHCUHLMSSA-N 1 0 498.672 3.530 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@@](C)(C(=O)NC)C3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1OC ZINC001313502662 1070529540 /nfs/dbraw/zinc/52/95/40/1070529540.db2.gz KORAWWPOQWPYTF-KDYSTLNUSA-N 1 0 498.672 3.579 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CC[NH+]2CCSCC2)cc1OC ZINC001313504051 1070535921 /nfs/dbraw/zinc/53/59/21/1070535921.db2.gz VLEZGLWQKUPAMO-JOCHJYFZSA-N 1 0 489.686 3.653 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CC[NH+]2CCSCC2)cc1OC ZINC001313504068 1070536367 /nfs/dbraw/zinc/53/63/67/1070536367.db2.gz VLEZGLWQKUPAMO-QFIPXVFZSA-N 1 0 489.686 3.653 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@]2(C)CCCO2)cc1OC ZINC001313505536 1070543889 /nfs/dbraw/zinc/54/38/89/1070543889.db2.gz KLIJCCGJIBMJMB-RUZDIDTESA-N 1 0 457.619 3.842 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC001313506099 1070546492 /nfs/dbraw/zinc/54/64/92/1070546492.db2.gz NEMFKVDLULTCNV-UNMCSNQZSA-N 1 0 498.672 3.530 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCN(C(C)=O)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001313506948 1070550498 /nfs/dbraw/zinc/55/04/98/1070550498.db2.gz VCGRAIHBMPAHBM-NRFANRHFSA-N 1 0 498.672 3.533 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001313506867 1070550562 /nfs/dbraw/zinc/55/05/62/1070550562.db2.gz UAHAEEJXQYZQSX-IRLDBZIGSA-N 1 0 498.672 3.565 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@@H](OC)C3)n2CC[NH+]2CCC(C)CC2)cc1OC ZINC001313513285 1070567242 /nfs/dbraw/zinc/56/72/42/1070567242.db2.gz HLBINWSCGAYHIZ-OAQYLSRUSA-N 1 0 457.619 3.700 20 0 JHADRO CC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)ccc1Br ZINC001309156204 1070573518 /nfs/dbraw/zinc/57/35/18/1070573518.db2.gz IJMMFSGDIOIJMS-QGZVFWFLSA-N 1 0 457.434 3.975 20 0 JHADRO CC[S@](=O)CCn1c(CCCc2ccccc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001314572460 1070579269 /nfs/dbraw/zinc/57/92/69/1070579269.db2.gz GOPSURGETQWZES-CFXMIPBISA-N 1 0 471.715 3.923 20 0 JHADRO CC[S@@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314573376 1070579743 /nfs/dbraw/zinc/57/97/43/1070579743.db2.gz ULQQICFUMNRZLS-MGBGTMOVSA-N 1 0 487.073 3.863 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001314576750 1070584398 /nfs/dbraw/zinc/58/43/98/1070584398.db2.gz KKSNJGRRIGWUMB-INIZCTEOSA-N 1 0 465.668 3.520 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC001314578500 1070588730 /nfs/dbraw/zinc/58/87/30/1070588730.db2.gz WVGBVTIEOPXPQU-ROUUACIJSA-N 1 0 479.695 3.910 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(C)n2CC2(C[NH+]3CCOCC3)CCCCC2)n1 ZINC001314577585 1070586941 /nfs/dbraw/zinc/58/69/41/1070586941.db2.gz QPRIIDFSDNNPKR-SFHVURJKSA-N 1 0 477.679 3.703 20 0 JHADRO CC[NH+](CC)CCNC(=O)c1ccc(OS(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC001309179261 1070587901 /nfs/dbraw/zinc/58/79/01/1070587901.db2.gz PFSZMMFZEUZLNR-UHFFFAOYSA-N 1 0 459.593 3.649 20 0 JHADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCCC1)c1cc(F)ccc1Br ZINC001309183610 1070590882 /nfs/dbraw/zinc/59/08/82/1070590882.db2.gz LDGPRSHWWJNXKM-UHFFFAOYSA-N 1 0 451.427 3.618 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[NH+]2CCCC2)CC1 ZINC001313524923 1070597299 /nfs/dbraw/zinc/59/72/99/1070597299.db2.gz HBJRQBIAPPWTHR-NRFANRHFSA-N 1 0 457.619 3.844 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCCC2)CC1 ZINC001313525425 1070598909 /nfs/dbraw/zinc/59/89/09/1070598909.db2.gz JIXBAKGZMHLYOX-OAQYLSRUSA-N 1 0 469.634 3.587 20 0 JHADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2ccn(C(C)C)n2)cc1 ZINC001309201467 1070602908 /nfs/dbraw/zinc/60/29/08/1070602908.db2.gz LQANCXKKWWZDIS-LOSJGSFVSA-N 1 0 452.624 3.860 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001313528549 1070607521 /nfs/dbraw/zinc/60/75/21/1070607521.db2.gz PROAFJDYTVQFJI-OAQYLSRUSA-N 1 0 471.646 3.850 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001313528673 1070607532 /nfs/dbraw/zinc/60/75/32/1070607532.db2.gz QNXNFUZJYXUHIO-FYYLOGMGSA-N 1 0 471.646 3.708 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCC2)C1 ZINC001314587405 1070610987 /nfs/dbraw/zinc/61/09/87/1070610987.db2.gz AMONFPFXTJUNSA-RTBURBONSA-N 1 0 457.648 3.522 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314588107 1070612190 /nfs/dbraw/zinc/61/21/90/1070612190.db2.gz IJGYRSPCALQRKA-XUVXKRRUSA-N 1 0 450.697 3.791 20 0 JHADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@@H](C)CC2(C)OCCO2)cc1 ZINC001309214466 1070613066 /nfs/dbraw/zinc/61/30/66/1070613066.db2.gz IKDOLLOJXVXUGQ-GVXSCFBNSA-N 1 0 472.651 3.672 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)[NH+](C)C)C1 ZINC001314591187 1070620616 /nfs/dbraw/zinc/62/06/16/1070620616.db2.gz DPVYDYROUCLIFQ-PXNSSMCTSA-N 1 0 479.094 3.924 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@H](O)C2CCCCC2)cc1 ZINC001309223857 1070624103 /nfs/dbraw/zinc/62/41/03/1070624103.db2.gz UDTSAWVRVFWZBG-KKUQBAQOSA-N 1 0 456.652 3.824 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001314592359 1070624655 /nfs/dbraw/zinc/62/46/55/1070624655.db2.gz DIMGUCLDQMHUEE-BQJUDKOJSA-N 1 0 456.660 3.643 20 0 JHADRO CCS[C@H]1CC[C@@H](N(C)c2nnc(Cc3csc(C)n3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001314595181 1070634222 /nfs/dbraw/zinc/63/42/22/1070634222.db2.gz LUMFULMCSAGPMM-RTWAWAEBSA-N 1 0 491.775 3.770 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001314598067 1070642672 /nfs/dbraw/zinc/64/26/72/1070642672.db2.gz IAYDRUQXFWNZOL-WOJBJXKFSA-N 1 0 479.094 3.952 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001313545068 1070647986 /nfs/dbraw/zinc/64/79/86/1070647986.db2.gz SGRAIHGTDCXPKA-HXUWFJFHSA-N 1 0 498.676 3.693 20 0 JHADRO CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc21 ZINC001309260808 1070652289 /nfs/dbraw/zinc/65/22/89/1070652289.db2.gz FVAWMYSQOBUNEY-NNMXDRDESA-N 1 0 455.624 3.878 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2CCC2CC[NH+](CC)CC2)C1 ZINC001314601986 1070654254 /nfs/dbraw/zinc/65/42/54/1070654254.db2.gz UMBYPJWFGRKXAJ-HXUWFJFHSA-N 1 0 450.697 3.650 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001314606070 1070663261 /nfs/dbraw/zinc/66/32/61/1070663261.db2.gz ACQNLWGBUHPNHA-JOCHJYFZSA-N 1 0 470.687 3.645 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001313552784 1070670341 /nfs/dbraw/zinc/67/03/41/1070670341.db2.gz IGYVRNMHAVCLME-WOJBJXKFSA-N 1 0 456.610 3.653 20 0 JHADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001309295167 1070677248 /nfs/dbraw/zinc/67/72/48/1070677248.db2.gz AATBBDKHJSUBFG-DOTOQJQBSA-N 1 0 453.402 3.707 20 0 JHADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001309295169 1070677350 /nfs/dbraw/zinc/67/73/50/1070677350.db2.gz AATBBDKHJSUBFG-RDJZCZTQSA-N 1 0 453.402 3.707 20 0 JHADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001309295170 1070677373 /nfs/dbraw/zinc/67/73/73/1070677373.db2.gz AATBBDKHJSUBFG-WBVHZDCISA-N 1 0 453.402 3.707 20 0 JHADRO CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001313560334 1070678530 /nfs/dbraw/zinc/67/85/30/1070678530.db2.gz GPCPLZOPAPPELN-HKUYNNGSSA-N 1 0 458.676 3.530 20 0 JHADRO CCSCCCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314618077 1070691180 /nfs/dbraw/zinc/69/11/80/1070691180.db2.gz OXZXGMTXTMXWOE-NRFANRHFSA-N 1 0 451.644 3.979 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314620140 1070697191 /nfs/dbraw/zinc/69/71/91/1070697191.db2.gz JNIKIYBRFMVJAW-FQEVSTJZSA-N 1 0 498.676 3.693 20 0 JHADRO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H](C)[NH+]1CCCCC1)C(C)C ZINC001313581721 1070701924 /nfs/dbraw/zinc/70/19/24/1070701924.db2.gz JJUPAPLHMQEHPE-HXUWFJFHSA-N 1 0 476.691 3.695 20 0 JHADRO CC(C)(O)[C@H]1CCCN1S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309328326 1070702885 /nfs/dbraw/zinc/70/28/85/1070702885.db2.gz AUXIFLIRXQVNPO-YTFSRNRJSA-N 1 0 463.043 3.873 20 0 JHADRO Cc1nc(S(=O)(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)sc1Br ZINC001309333667 1070705327 /nfs/dbraw/zinc/70/53/27/1070705327.db2.gz BZTSACUAMKLILL-OAHLLOKOSA-N 1 0 455.403 3.747 20 0 JHADRO CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001313583683 1070706555 /nfs/dbraw/zinc/70/65/55/1070706555.db2.gz IQPGDFMERNIERI-HDICACEKSA-N 1 0 457.619 3.839 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(C2CCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001314627597 1070721072 /nfs/dbraw/zinc/72/10/72/1070721072.db2.gz AYZWGEANVLULHU-MRXNPFEDSA-N 1 0 499.607 3.600 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313588004 1070714748 /nfs/dbraw/zinc/71/47/48/1070714748.db2.gz OUCYLXWIPJFHPM-IEBWSBKVSA-N 1 0 498.068 3.871 20 0 JHADRO CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC001313589113 1070716543 /nfs/dbraw/zinc/71/65/43/1070716543.db2.gz LYSGUEVCDRFJNV-QFIPXVFZSA-N 1 0 478.435 3.552 20 0 JHADRO O=S(=O)(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(Br)s1 ZINC001309355522 1070718339 /nfs/dbraw/zinc/71/83/39/1070718339.db2.gz XBYPYPQHSMHGPE-UHFFFAOYSA-N 1 0 459.431 3.506 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N2CC[C@H](c3cccc(F)c3)C2)nnc1C(C)(C)C ZINC001314627939 1070722460 /nfs/dbraw/zinc/72/24/60/1070722460.db2.gz FLUVTQCGEWDNHP-RBBKRZOGSA-N 1 0 470.637 3.651 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(C2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001314628226 1070723693 /nfs/dbraw/zinc/72/36/93/1070723693.db2.gz HRBJHTXTNVMMSU-HFZDXXHNSA-N 1 0 474.694 3.520 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001314629232 1070726678 /nfs/dbraw/zinc/72/66/78/1070726678.db2.gz YQZKHEDJLNIBSO-VQTJNVASSA-N 1 0 476.666 3.840 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2ccccc2Cl)nnc1N(C)CCC1CC1 ZINC001314629664 1070728217 /nfs/dbraw/zinc/72/82/17/1070728217.db2.gz REANYTCJGBYJMQ-NRFANRHFSA-N 1 0 459.038 3.778 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cscn1 ZINC001314630020 1070729457 /nfs/dbraw/zinc/72/94/57/1070729457.db2.gz VAWUKXGOIYKXMK-HXUWFJFHSA-N 1 0 488.061 3.634 20 0 JHADRO CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001313614245 1070737968 /nfs/dbraw/zinc/73/79/68/1070737968.db2.gz PVXCUVKJSJXDIK-SVFBPWRDSA-N 1 0 493.743 3.700 20 0 JHADRO CN(C)C(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001314636777 1070740971 /nfs/dbraw/zinc/74/09/71/1070740971.db2.gz ONKXHCBGZNQVMB-UHFFFAOYSA-N 1 0 477.028 3.918 20 0 JHADRO CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313617548 1070741651 /nfs/dbraw/zinc/74/16/51/1070741651.db2.gz BPOCQMQDJWARQY-SFHVURJKSA-N 1 0 498.118 3.722 20 0 JHADRO CCN(C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1)S(C)(=O)=O ZINC001313627633 1070757795 /nfs/dbraw/zinc/75/77/95/1070757795.db2.gz QYBXARWIDBCRTQ-QFIPXVFZSA-N 1 0 496.766 3.628 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCNC2=O)CC1)c1ccccc1 ZINC001314650213 1070758098 /nfs/dbraw/zinc/75/80/98/1070758098.db2.gz GXWCNYRSRQVSBU-QFIPXVFZSA-N 1 0 467.662 3.554 20 0 JHADRO Cn1cc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@H](c2cccs2)[NH+](C)C)cn1 ZINC001314649015 1070753563 /nfs/dbraw/zinc/75/35/63/1070753563.db2.gz KMHHKMMJIUHYRD-RTBURBONSA-N 1 0 457.648 3.827 20 0 JHADRO Cn1cc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H](c2cccs2)[NH+](C)C)cn1 ZINC001314649014 1070753831 /nfs/dbraw/zinc/75/38/31/1070753831.db2.gz KMHHKMMJIUHYRD-RBUKOAKNSA-N 1 0 457.648 3.827 20 0 JHADRO Cn1cc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cn1 ZINC001314649064 1070754188 /nfs/dbraw/zinc/75/41/88/1070754188.db2.gz LENMYKCTMAVQET-AWEZNQCLSA-N 1 0 491.440 3.896 20 0 JHADRO CCN(CC(C)C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001313624880 1070754621 /nfs/dbraw/zinc/75/46/21/1070754621.db2.gz YISQDQPVGUSMSE-JOCHJYFZSA-N 1 0 490.656 3.618 20 0 JHADRO CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)C1CCCCC1 ZINC001313624824 1070754781 /nfs/dbraw/zinc/75/47/81/1070754781.db2.gz ZPTITZWIIJAUMD-PMVMPFDFSA-N 1 0 463.667 3.518 20 0 JHADRO CCN(C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1)S(C)(=O)=O ZINC001313626950 1070756168 /nfs/dbraw/zinc/75/61/68/1070756168.db2.gz MNNIZCRLTPKCAM-HSZRJFAPSA-N 1 0 494.750 3.524 20 0 JHADRO Cn1cc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)cn1 ZINC001314649747 1070757012 /nfs/dbraw/zinc/75/70/12/1070757012.db2.gz OMBUDWXADPWBAA-QFIPXVFZSA-N 1 0 472.037 3.624 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CCCO)CC1)c1cccc(F)c1 ZINC001314650356 1070758573 /nfs/dbraw/zinc/75/85/73/1070758573.db2.gz HWBCIUORYDABPN-DHIUTWEWSA-N 1 0 459.610 3.951 20 0 JHADRO O=S(=O)(CCC[NH+]1CCCC1)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC001309420619 1070759432 /nfs/dbraw/zinc/75/94/32/1070759432.db2.gz OBOGEWCXHIHHJO-FQEVSTJZSA-N 1 0 452.418 3.533 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccsc1 ZINC001314650596 1070759493 /nfs/dbraw/zinc/75/94/93/1070759493.db2.gz JVTHQPVAZFDFGX-VQTJNVASSA-N 1 0 474.675 3.579 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314650936 1070759981 /nfs/dbraw/zinc/75/99/81/1070759981.db2.gz NISNXRDJQHKACX-IPMKNSEASA-N 1 0 490.674 3.988 20 0 JHADRO CCN(CC(C)C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001313629405 1070759888 /nfs/dbraw/zinc/75/98/88/1070759888.db2.gz AIXACEDBWLMDML-FPOVZHCZSA-N 1 0 476.666 3.553 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(N2CCN(Cc3cscn3)CC2)nnc1C(C)(C)C)c1cccs1 ZINC001314651177 1070760822 /nfs/dbraw/zinc/76/08/22/1070760822.db2.gz AXEIIVAUKIIBQL-SFHVURJKSA-N 1 0 459.689 3.719 20 0 JHADRO CCN(CC(C)C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001313630200 1070761117 /nfs/dbraw/zinc/76/11/17/1070761117.db2.gz HBOCEFWRPQAPCB-VQTJNVASSA-N 1 0 490.649 3.965 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccsc1 ZINC001314653807 1070767278 /nfs/dbraw/zinc/76/72/78/1070767278.db2.gz HHQHBQFTMAHGKQ-LJQANCHMSA-N 1 0 460.648 3.652 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1)c1ccco1 ZINC001314651776 1070761803 /nfs/dbraw/zinc/76/18/03/1070761803.db2.gz SBJJCOLPORBPJT-NRFANRHFSA-N 1 0 478.641 3.786 20 0 JHADRO CN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCSC1 ZINC001314652140 1070762469 /nfs/dbraw/zinc/76/24/69/1070762469.db2.gz DNIXOHPAYHULHW-RBUKOAKNSA-N 1 0 488.658 3.653 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCCCC2)CCSC1 ZINC001314651990 1070762519 /nfs/dbraw/zinc/76/25/19/1070762519.db2.gz DAYICNNPEVOMQB-IBGZPJMESA-N 1 0 453.454 3.853 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCO)Cc1ccccc1)C1CC1 ZINC001314652351 1070763138 /nfs/dbraw/zinc/76/31/38/1070763138.db2.gz HGQJCNQAHTXRIX-DNVJHFABSA-N 1 0 455.647 3.536 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccsc1 ZINC001314652603 1070763685 /nfs/dbraw/zinc/76/36/85/1070763685.db2.gz VQEMXVZFRPMGAU-WOJBJXKFSA-N 1 0 490.674 3.941 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(CC(F)(F)F)CC2)CCC1 ZINC001314653914 1070767022 /nfs/dbraw/zinc/76/70/22/1070767022.db2.gz RIBXDHAZBOYMES-UHFFFAOYSA-N 1 0 488.505 3.715 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001314652888 1070764818 /nfs/dbraw/zinc/76/48/18/1070764818.db2.gz JIOIWMQCFOSJRY-GUDVDZBRSA-N 1 0 490.674 3.940 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314653266 1070765518 /nfs/dbraw/zinc/76/55/18/1070765518.db2.gz LIINTNFZYGTSEW-CEXWTWQISA-N 1 0 490.674 3.988 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313637407 1070775490 /nfs/dbraw/zinc/77/54/90/1070775490.db2.gz FWZVKCJKZUUIQI-QHCPKHFHSA-N 1 0 480.657 3.741 20 0 JHADRO CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CC2CC2)CC1)c1c(F)cccc1F ZINC001314654325 1070768398 /nfs/dbraw/zinc/76/83/98/1070768398.db2.gz FZCCKRYKTWVKMD-NRFANRHFSA-N 1 0 460.617 3.980 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001313636239 1070772282 /nfs/dbraw/zinc/77/22/82/1070772282.db2.gz KBAWGMKYDJRRDM-FQEVSTJZSA-N 1 0 488.080 3.954 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001314656292 1070775037 /nfs/dbraw/zinc/77/50/37/1070775037.db2.gz JNRDXGVMNXQPRK-HXUWFJFHSA-N 1 0 485.677 3.899 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001314656290 1070775047 /nfs/dbraw/zinc/77/50/47/1070775047.db2.gz JNRDXGVMNXQPRK-FQEVSTJZSA-N 1 0 485.677 3.899 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccsc1 ZINC001314656526 1070775230 /nfs/dbraw/zinc/77/52/30/1070775230.db2.gz ZNOLXFQTCZANJG-OFVILXPXSA-N 1 0 466.655 3.520 20 0 JHADRO C[NH+](C)C1(Cn2c(N3CC[C@H](NC(=O)Nc4ccc(F)cc4)C3)nnc2C(C)(C)C)CCC1 ZINC001314657376 1070776740 /nfs/dbraw/zinc/77/67/40/1070776740.db2.gz AYTTUJIWBWVYRE-IBGZPJMESA-N 1 0 457.598 3.599 20 0 JHADRO C[NH+](C)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](C(F)F)C2)CCCC1 ZINC001314658123 1070778332 /nfs/dbraw/zinc/77/83/32/1070778332.db2.gz SBEAMXKTQCTJAK-INIZCTEOSA-N 1 0 466.602 3.626 20 0 JHADRO C[NH+](C)C1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](CC(N)=O)C2)CCCCC1 ZINC001314660351 1070783875 /nfs/dbraw/zinc/78/38/75/1070783875.db2.gz OFQFSPRFTAHUPG-TUNNFDKTSA-N 1 0 474.694 3.553 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001313640002 1070783970 /nfs/dbraw/zinc/78/39/70/1070783970.db2.gz OGFWOEXFVPPURX-QFIPXVFZSA-N 1 0 467.662 3.689 20 0 JHADRO C[NH+](C)C1(Cn2c(CC(C)(C)C)nnc2N2CCC(CC(=O)N3CCCC3)CC2)CCCC1 ZINC001314659459 1070781726 /nfs/dbraw/zinc/78/17/26/1070781726.db2.gz PCIDCVOFQURSNR-UHFFFAOYSA-N 1 0 458.695 3.970 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001314663582 1070792490 /nfs/dbraw/zinc/79/24/90/1070792490.db2.gz WRJVNZQJLNSHLM-CRAIPNDOSA-N 1 0 465.440 3.629 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001314663585 1070792534 /nfs/dbraw/zinc/79/25/34/1070792534.db2.gz WRJVNZQJLNSHLM-MAUKXSAKSA-N 1 0 465.440 3.629 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001314662746 1070790019 /nfs/dbraw/zinc/79/00/19/1070790019.db2.gz IKSDZOWOOSZOBR-UHFFFAOYSA-N 1 0 477.657 3.776 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001314663575 1070791683 /nfs/dbraw/zinc/79/16/83/1070791683.db2.gz WPPTUULZPQJARV-TZIWHRDSSA-N 1 0 452.647 3.545 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2ccc(C)o2)n1CC1([NH+](C)C)CCOCC1 ZINC001313640550 1070785594 /nfs/dbraw/zinc/78/55/94/1070785594.db2.gz NZCOVGITWLEYHE-JOCHJYFZSA-N 1 0 467.614 3.826 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nnc2C(C)(C)C)CCSC1 ZINC001314661634 1070786274 /nfs/dbraw/zinc/78/62/74/1070786274.db2.gz ZFXJMIOQLIAWGP-XMMPIXPASA-N 1 0 491.105 3.629 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cnccn2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001313641714 1070787970 /nfs/dbraw/zinc/78/79/70/1070787970.db2.gz YXFSUHZVYFDFRW-DHIUTWEWSA-N 1 0 477.638 3.968 20 0 JHADRO CN(CCC(F)F)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667156 1070800913 /nfs/dbraw/zinc/80/09/13/1070800913.db2.gz HNYHKLGMBJSODB-UHFFFAOYSA-N 1 0 453.541 3.718 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001314665114 1070796707 /nfs/dbraw/zinc/79/67/07/1070796707.db2.gz BPRQIJVVOWRDDG-IBGZPJMESA-N 1 0 473.065 3.605 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001314665636 1070797699 /nfs/dbraw/zinc/79/76/99/1070797699.db2.gz GUENDGJKBHMVIJ-MSOLQXFVSA-N 1 0 498.411 3.866 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001314666033 1070798233 /nfs/dbraw/zinc/79/82/33/1070798233.db2.gz POBZRBLHNTXBEE-KRWDZBQOSA-N 1 0 453.557 3.875 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001314665859 1070798259 /nfs/dbraw/zinc/79/82/59/1070798259.db2.gz NJFJPKHOXXBHRX-RUZDIDTESA-N 1 0 480.632 3.941 20 0 JHADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC(C)(C)C)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001313644751 1070798492 /nfs/dbraw/zinc/79/84/92/1070798492.db2.gz JCMDROXAIKBBOJ-QHCPKHFHSA-N 1 0 489.753 3.512 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001314666657 1070799657 /nfs/dbraw/zinc/79/96/57/1070799657.db2.gz UJRUSNLRWWQZFY-FQEVSTJZSA-N 1 0 459.610 3.837 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CCC3)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001314668202 1070803814 /nfs/dbraw/zinc/80/38/14/1070803814.db2.gz AMRDGVRIZBJEJY-JOCHJYFZSA-N 1 0 498.672 3.980 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(CC3CC3)nnc2N2CCC(C(F)(F)F)CC2)c1 ZINC001314668538 1070804580 /nfs/dbraw/zinc/80/45/80/1070804580.db2.gz JTZJLARWYJNSCY-UHFFFAOYSA-N 1 0 451.537 3.998 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(C2CC2)nnc1N1C[C@@H](CC2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001314668631 1070805689 /nfs/dbraw/zinc/80/56/89/1070805689.db2.gz TYFSMPJMJXJAMQ-WOJBJXKFSA-N 1 0 460.667 3.873 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001314668857 1070806345 /nfs/dbraw/zinc/80/63/45/1070806345.db2.gz RDXAFVNEJUARQO-JOCHJYFZSA-N 1 0 498.672 3.713 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccccc3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001314669752 1070809773 /nfs/dbraw/zinc/80/97/73/1070809773.db2.gz KDGMABJDKLJUIS-UHFFFAOYSA-N 1 0 462.564 3.918 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001314669506 1070808172 /nfs/dbraw/zinc/80/81/72/1070808172.db2.gz ANLLGOPNSQHZNX-BEFAXECRSA-N 1 0 466.399 3.804 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(C3CC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001314670077 1070810265 /nfs/dbraw/zinc/81/02/65/1070810265.db2.gz AXKVMZSZMFUOMI-UHFFFAOYSA-N 1 0 498.672 3.885 20 0 JHADRO C[NH+](C)CCCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCc3oncc3C2)cc1 ZINC001314670202 1070810829 /nfs/dbraw/zinc/81/08/29/1070810829.db2.gz OCBPCPHKYMJHJB-UHFFFAOYSA-N 1 0 452.603 3.796 20 0 JHADRO C[NH+](C)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1Cc2ccoc2CC(C)(C)C1 ZINC001314672428 1070817463 /nfs/dbraw/zinc/81/74/63/1070817463.db2.gz OXIUXSPLFIUQHS-IFMALSPDSA-N 1 0 473.662 3.957 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(-c3cccnc3)nnc2N2CCO[C@H](C(C)(C)C)C2)cc1 ZINC001314670545 1070811724 /nfs/dbraw/zinc/81/17/24/1070811724.db2.gz GQFNVFLDNZKNNC-DEOSSOPVSA-N 1 0 478.641 3.775 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(N3CCCN(c4nccs4)CC3)nnc2C(C)(C)C)cc1 ZINC001314670989 1070813300 /nfs/dbraw/zinc/81/33/00/1070813300.db2.gz IGRAPAHSDVIBTA-UHFFFAOYSA-N 1 0 497.713 3.932 20 0 JHADRO C[NH+](C)CCOCCn1c(Cc2ccsc2)nnc1N1CCc2cccc(Br)c2C1 ZINC001314671854 1070815745 /nfs/dbraw/zinc/81/57/45/1070815745.db2.gz NEYUTYHEACOZEW-UHFFFAOYSA-N 1 0 490.471 3.834 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001314671692 1070816237 /nfs/dbraw/zinc/81/62/37/1070816237.db2.gz SSUGKTKDNUFFAL-UZLBHIALSA-N 1 0 468.429 3.835 20 0 JHADRO C[NH+](C)CCOCCn1c(CC2CCCC2)nnc1N1CCc2cccc(Br)c2C1 ZINC001314672482 1070817255 /nfs/dbraw/zinc/81/72/55/1070817255.db2.gz QZDPUSKZZTUHNG-UHFFFAOYSA-N 1 0 476.463 3.914 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@H]2COc3ccccc3O2)n1CCOCC[NH+](C)C ZINC001314672945 1070818715 /nfs/dbraw/zinc/81/87/15/1070818715.db2.gz HLJMKXWMAOCJKH-LJQANCHMSA-N 1 0 478.018 3.720 20 0 JHADRO C[NH+](C)CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001314673568 1070819440 /nfs/dbraw/zinc/81/94/40/1070819440.db2.gz SLPYZEHIFKYTIQ-UNMCSNQZSA-N 1 0 490.693 3.740 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001313649929 1070820490 /nfs/dbraw/zinc/82/04/90/1070820490.db2.gz BYZIBWVRJCUNPY-DEOSSOPVSA-N 1 0 499.679 3.712 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccccc1OC ZINC001313652031 1070828013 /nfs/dbraw/zinc/82/80/13/1070828013.db2.gz ONYPFWMKEYPXEW-CTNGQTDRSA-N 1 0 454.619 3.595 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001313651138 1070825772 /nfs/dbraw/zinc/82/57/72/1070825772.db2.gz CMQMYVMSROTHAV-LAUBAEHRSA-N 1 0 499.566 3.512 20 0 JHADRO CN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCCC1)[C@H]1CCSC1 ZINC001314678643 1070826034 /nfs/dbraw/zinc/82/60/34/1070826034.db2.gz ULPNPVCHKLDLBX-IBGZPJMESA-N 1 0 477.078 3.678 20 0 JHADRO Cc1ccc(N)cc1S(=O)(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001309524324 1070826518 /nfs/dbraw/zinc/82/65/18/1070826518.db2.gz KPHYWKZPNGGGBZ-XMMPIXPASA-N 1 0 450.608 3.828 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001313651524 1070826899 /nfs/dbraw/zinc/82/68/99/1070826899.db2.gz GAKOHEAHXNNGSS-GIWBLDEGSA-N 1 0 468.646 3.883 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC001313651742 1070827303 /nfs/dbraw/zinc/82/73/03/1070827303.db2.gz KJHIMFALAYFEIG-GGAORHGYSA-N 1 0 491.640 3.930 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001313652247 1070828726 /nfs/dbraw/zinc/82/87/26/1070828726.db2.gz RECCTTQGDWKCJC-SFHVURJKSA-N 1 0 495.653 3.817 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001313653161 1070833178 /nfs/dbraw/zinc/83/31/78/1070833178.db2.gz NWKAMKXEMJKXQP-OAQYLSRUSA-N 1 0 494.688 3.751 20 0 JHADRO CN(c1nnc(-c2ccccc2)n1C[C@@H]1CCC[N@@H+]1CCCO)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314682165 1070835882 /nfs/dbraw/zinc/83/58/82/1070835882.db2.gz MWTWMZDPXOREPR-QHCPKHFHSA-N 1 0 498.672 3.628 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001313654587 1070838906 /nfs/dbraw/zinc/83/89/06/1070838906.db2.gz CIGCVSHTRAREBX-QHCPKHFHSA-N 1 0 497.688 3.542 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001313654585 1070839339 /nfs/dbraw/zinc/83/93/39/1070839339.db2.gz CIGCVSHTRAREBX-HSZRJFAPSA-N 1 0 497.688 3.542 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001313655384 1070844004 /nfs/dbraw/zinc/84/40/04/1070844004.db2.gz WLSHNVBVOGFQNH-YADHBBJMSA-N 1 0 497.688 3.658 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313655381 1070844059 /nfs/dbraw/zinc/84/40/59/1070844059.db2.gz WLSHNVBVOGFQNH-FCHUYYIVSA-N 1 0 497.688 3.658 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCSC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314694063 1070854728 /nfs/dbraw/zinc/85/47/28/1070854728.db2.gz LKLZXDNGLBNWJU-VWLOTQADSA-N 1 0 457.688 3.836 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccc(C)o1 ZINC001313657157 1070854931 /nfs/dbraw/zinc/85/49/31/1070854931.db2.gz OHYPRYQKSBXQIW-KRWDZBQOSA-N 1 0 487.674 3.815 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCCC2)C1 ZINC001313657482 1070855082 /nfs/dbraw/zinc/85/50/82/1070855082.db2.gz MEZWGKGNQGCSOG-IBGZPJMESA-N 1 0 459.660 3.849 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313656619 1070851370 /nfs/dbraw/zinc/85/13/70/1070851370.db2.gz KREVGRMEQJAHSV-QYZOEREBSA-N 1 0 476.597 3.564 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001313659614 1070863442 /nfs/dbraw/zinc/86/34/42/1070863442.db2.gz KDEAFKVHJYPTJL-QGZVFWFLSA-N 1 0 488.011 3.758 20 0 JHADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC001309559896 1070856624 /nfs/dbraw/zinc/85/66/24/1070856624.db2.gz UULYYXYVSAJWNH-UHFFFAOYSA-N 1 0 451.402 3.874 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313657738 1070857013 /nfs/dbraw/zinc/85/70/13/1070857013.db2.gz UDXLECIAIYPTEP-MSOLQXFVSA-N 1 0 498.594 3.765 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001313657996 1070858522 /nfs/dbraw/zinc/85/85/22/1070858522.db2.gz AUSMRVRNYUQABF-HNAYVOBHSA-N 1 0 459.982 3.598 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001313658339 1070858726 /nfs/dbraw/zinc/85/87/26/1070858726.db2.gz YXTMMLPMWSXEPM-VQTJNVASSA-N 1 0 484.670 3.545 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCc2oncc2C1 ZINC001313658638 1070860416 /nfs/dbraw/zinc/86/04/16/1070860416.db2.gz SKSAWCYTPKRYPE-HNNXBMFYSA-N 1 0 459.392 3.989 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001313658849 1070860811 /nfs/dbraw/zinc/86/08/11/1070860811.db2.gz CVMAVUQGPMNYPF-HKUYNNGSSA-N 1 0 497.562 3.994 20 0 JHADRO Cc1n[nH]c(C)c1[C@H](C)NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309569663 1070864315 /nfs/dbraw/zinc/86/43/15/1070864315.db2.gz BYEOMZNEMOPGRZ-OFAXGOBFSA-N 1 0 456.587 3.814 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc3cccnc32)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001313659828 1070864539 /nfs/dbraw/zinc/86/45/39/1070864539.db2.gz LPAKQBBMUDSUOI-GOSISDBHSA-N 1 0 475.563 3.908 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001313660336 1070865803 /nfs/dbraw/zinc/86/58/03/1070865803.db2.gz QGVZXYREZRNUMD-LJQANCHMSA-N 1 0 485.702 3.687 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)s1 ZINC001313663009 1070871667 /nfs/dbraw/zinc/87/16/67/1070871667.db2.gz ZSRDNUOENWNKJY-AWEZNQCLSA-N 1 0 464.437 3.926 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001313660679 1070866354 /nfs/dbraw/zinc/86/63/54/1070866354.db2.gz SMPBERSCRASICG-RTBURBONSA-N 1 0 451.623 3.524 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001313661304 1070867506 /nfs/dbraw/zinc/86/75/06/1070867506.db2.gz WXTACZOLCZSBRT-IBGZPJMESA-N 1 0 494.640 3.856 20 0 JHADRO CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314701411 1070867627 /nfs/dbraw/zinc/86/76/27/1070867627.db2.gz GNNMTSWQDDTKDK-QHCPKHFHSA-N 1 0 496.700 3.658 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001313661582 1070868140 /nfs/dbraw/zinc/86/81/40/1070868140.db2.gz YDWXJYNVSBQLNS-CTNGQTDRSA-N 1 0 484.670 3.627 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)c1ccco1 ZINC001313661355 1070868380 /nfs/dbraw/zinc/86/83/80/1070868380.db2.gz FIYGUHMEXBIPAW-ROUUACIJSA-N 1 0 463.586 3.713 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313661630 1070868894 /nfs/dbraw/zinc/86/88/94/1070868894.db2.gz GFBKLRHIBONCQG-WOJBJXKFSA-N 1 0 471.650 3.872 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@](C)(CC)C1 ZINC001313661683 1070869073 /nfs/dbraw/zinc/86/90/73/1070869073.db2.gz HVDNWVDREFOVBH-NBGIEHNGSA-N 1 0 451.619 3.866 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313662515 1070870808 /nfs/dbraw/zinc/87/08/08/1070870808.db2.gz UASXMGJQECKUQK-LEWJYISDSA-N 1 0 469.678 3.758 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314704794 1070873604 /nfs/dbraw/zinc/87/36/04/1070873604.db2.gz RKWDGIDJEYRMOC-OAQYLSRUSA-N 1 0 490.612 3.582 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1)c1ccco1 ZINC001313664220 1070875335 /nfs/dbraw/zinc/87/53/35/1070875335.db2.gz LILWZTUMNIRYGQ-QUCCMNQESA-N 1 0 470.622 3.652 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N2CCC[C@@H](CCO)CC2)cc1 ZINC001309595283 1070875625 /nfs/dbraw/zinc/87/56/25/1070875625.db2.gz BAGXRWOGNIFXCZ-ZSQFBXSQSA-N 1 0 456.652 3.777 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccn2C)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001314707465 1070878497 /nfs/dbraw/zinc/87/84/97/1070878497.db2.gz UAEGLXOKESNFNU-HSZRJFAPSA-N 1 0 477.657 3.545 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1)c1ccccc1 ZINC001313665216 1070879605 /nfs/dbraw/zinc/87/96/05/1070879605.db2.gz QGSXKWHDLUFSLL-VWNXMTODSA-N 1 0 450.635 3.795 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001313665884 1070882022 /nfs/dbraw/zinc/88/20/22/1070882022.db2.gz DNHNCHKINHZKLK-HAGHYFMRSA-N 1 0 464.655 3.694 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccsc1 ZINC001313666253 1070882875 /nfs/dbraw/zinc/88/28/75/1070882875.db2.gz VKCCBIGLNRFIRI-NHCUHLMSSA-N 1 0 488.702 3.910 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)C1)c1ccco1 ZINC001313666464 1070883830 /nfs/dbraw/zinc/88/38/30/1070883830.db2.gz XBUXQLVPHKXKNC-YADHBBJMSA-N 1 0 494.640 3.989 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)c1ccco1 ZINC001313666781 1070885011 /nfs/dbraw/zinc/88/50/11/1070885011.db2.gz XPXRPLQILBMCBJ-SFTDATJTSA-N 1 0 469.565 3.802 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001313667416 1070888780 /nfs/dbraw/zinc/88/87/80/1070888780.db2.gz XYBJBSHRBIQDGH-NJDAHSKKSA-N 1 0 460.692 3.847 20 0 JHADRO Cc1cnc(CCNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)c(C)c1 ZINC001309629282 1070892157 /nfs/dbraw/zinc/89/21/57/1070892157.db2.gz RLIXLNHGJUFNTO-AZGAKELHSA-N 1 0 467.610 3.968 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001313668399 1070892278 /nfs/dbraw/zinc/89/22/78/1070892278.db2.gz QMBDMTRPONOJAK-WIYYLYMNSA-N 1 0 498.093 3.644 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313668659 1070893209 /nfs/dbraw/zinc/89/32/09/1070893209.db2.gz RFPIOJFQMPUGPT-SFTDATJTSA-N 1 0 486.661 3.999 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccco1 ZINC001313670032 1070895954 /nfs/dbraw/zinc/89/59/54/1070895954.db2.gz YCORYMYCOOLMKV-ICSRJNTNSA-N 1 0 476.622 3.546 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001313670270 1070895990 /nfs/dbraw/zinc/89/59/90/1070895990.db2.gz GEXJTCFJMLZOTB-XXBNENTESA-N 1 0 452.578 3.711 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccco1 ZINC001313670035 1070896097 /nfs/dbraw/zinc/89/60/97/1070896097.db2.gz YCORYMYCOOLMKV-QUCCMNQESA-N 1 0 476.622 3.546 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001313670335 1070896625 /nfs/dbraw/zinc/89/66/25/1070896625.db2.gz YJCSAKGTBUHFBN-CGXNFDGLSA-N 1 0 478.682 3.640 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001313670076 1070897042 /nfs/dbraw/zinc/89/70/42/1070897042.db2.gz YKIICZAMZCBBIM-QFUCXCTJSA-N 1 0 479.572 3.692 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(Cc2ccsc2)n1CC1([NH+](C)C)CCCCC1 ZINC001314712603 1070897586 /nfs/dbraw/zinc/89/75/86/1070897586.db2.gz RVBZRPITSZCFKE-UHFFFAOYSA-N 1 0 488.746 3.990 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313671204 1070898546 /nfs/dbraw/zinc/89/85/46/1070898546.db2.gz OSEKOLVUQUGSJD-QUCCMNQESA-N 1 0 474.625 3.842 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)OC)C1)c1ccccc1 ZINC001313671453 1070900159 /nfs/dbraw/zinc/90/01/59/1070900159.db2.gz JPUAQICCIQGIKT-DNVJHFABSA-N 1 0 469.630 3.992 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCOC(C)(C)[C@@H]1C)c1ccsc1 ZINC001313671749 1070900974 /nfs/dbraw/zinc/90/09/74/1070900974.db2.gz KVTAIILORKODAC-FXAWDEMLSA-N 1 0 457.648 3.827 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001313671816 1070900988 /nfs/dbraw/zinc/90/09/88/1070900988.db2.gz SOKRVQMJWWKRAV-MRXNPFEDSA-N 1 0 488.731 3.764 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)c1ccco1 ZINC001313672039 1070901761 /nfs/dbraw/zinc/90/17/61/1070901761.db2.gz MGHICYCNPFAZBK-HKUYNNGSSA-N 1 0 493.534 3.959 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C)C1)c1ccco1 ZINC001313672936 1070905744 /nfs/dbraw/zinc/90/57/44/1070905744.db2.gz BZKIPOVYALAICA-QZTJIDSGSA-N 1 0 488.683 3.887 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)c1ccccc1 ZINC001313673286 1070907291 /nfs/dbraw/zinc/90/72/91/1070907291.db2.gz DOJBBKUEEYMMOY-YFNKSVMNSA-N 1 0 468.646 3.517 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CC(N)=O)C1)c1ccsc1 ZINC001313673642 1070907822 /nfs/dbraw/zinc/90/78/22/1070907822.db2.gz KNEZXENBCYYTLU-RXVVDRJESA-N 1 0 469.659 3.520 20 0 JHADRO O=S(=O)(NCCO[C@H]1CC1(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309661341 1070908526 /nfs/dbraw/zinc/90/85/26/1070908526.db2.gz OJOGVHYNVWFFQD-HBMCJLEFSA-N 1 0 470.969 3.652 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1)c1ccccc1 ZINC001313673942 1070909213 /nfs/dbraw/zinc/90/92/13/1070909213.db2.gz SWRFBUPYBWHACG-FGZHOGPDSA-N 1 0 451.619 3.623 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)c1ccsc1 ZINC001313674431 1070912028 /nfs/dbraw/zinc/91/20/28/1070912028.db2.gz JGQAZONREJNGIV-NZQKXSOJSA-N 1 0 496.681 3.977 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2CCOC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccco1 ZINC001313674799 1070912506 /nfs/dbraw/zinc/91/25/06/1070912506.db2.gz KSAXUHKJTHUTRW-CJFMBICVSA-N 1 0 475.634 3.610 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(C)=O)CC1)c1ccco1 ZINC001313674957 1070914349 /nfs/dbraw/zinc/91/43/49/1070914349.db2.gz QONUKBLZZWFUJD-HXUWFJFHSA-N 1 0 454.575 3.628 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(C)C)C1)c1ccco1 ZINC001313675536 1070916374 /nfs/dbraw/zinc/91/63/74/1070916374.db2.gz PHMGOPVXDUTASW-RTWAWAEBSA-N 1 0 456.635 3.949 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(-c2cnn(C)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314722386 1070920997 /nfs/dbraw/zinc/92/09/97/1070920997.db2.gz KBIBCZZPOIBREG-LJQANCHMSA-N 1 0 461.536 3.853 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C)C1)c1ccccc1 ZINC001313676457 1070921190 /nfs/dbraw/zinc/92/11/90/1070921190.db2.gz DIIBMPZWTXRNJM-AVRDEDQJSA-N 1 0 454.644 3.942 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 ZINC001313676791 1070922901 /nfs/dbraw/zinc/92/29/01/1070922901.db2.gz ZWMAYFIRPGRPIJ-BXXSPATCSA-N 1 0 482.673 3.591 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314724616 1070925690 /nfs/dbraw/zinc/92/56/90/1070925690.db2.gz KBOUOLCNWFDECI-IBGZPJMESA-N 1 0 492.571 3.819 20 0 JHADRO CCN(CC)c1ccc(Cn2c(COc3ccccc3F)nnc2N2CC[N@H+](CC)[C@H](C)C2)cn1 ZINC001313678659 1070930781 /nfs/dbraw/zinc/93/07/81/1070930781.db2.gz JHKLBWGOPAWGFK-HXUWFJFHSA-N 1 0 481.620 3.816 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314726509 1070934481 /nfs/dbraw/zinc/93/44/81/1070934481.db2.gz GHOYXTHCTKOIIM-LEWJYISDSA-N 1 0 492.462 3.765 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1C(C)C)c1ccccc1 ZINC001313680302 1070938425 /nfs/dbraw/zinc/93/84/25/1070938425.db2.gz TUGGZSMYCMJUBW-RJGXRXQPSA-N 1 0 473.687 3.888 20 0 JHADRO CCN(CC)c1ccc(Cn2c(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)cn1 ZINC001313679708 1070934697 /nfs/dbraw/zinc/93/46/97/1070934697.db2.gz RCBFLZQWICOVKO-BCQCSXDESA-N 1 0 499.704 3.527 20 0 JHADRO CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001313682462 1070942781 /nfs/dbraw/zinc/94/27/81/1070942781.db2.gz JQTMKLIIDYUZLL-KRWDZBQOSA-N 1 0 468.415 3.930 20 0 JHADRO CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001313687830 1070947563 /nfs/dbraw/zinc/94/75/63/1070947563.db2.gz DCOZARDWHGHGJI-RBBKRZOGSA-N 1 0 486.661 3.953 20 0 JHADRO CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001313688070 1070947703 /nfs/dbraw/zinc/94/77/03/1070947703.db2.gz HMYWZGRJFAMSMY-OALUTQOASA-N 1 0 464.655 3.553 20 0 JHADRO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001309755219 1070955324 /nfs/dbraw/zinc/95/53/24/1070955324.db2.gz WVVCIEMUONVRKZ-IFMALSPDSA-N 1 0 457.640 3.605 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccsc3)n2CCc2cccc(C(=O)NC)c2)CC1 ZINC001313694889 1070957339 /nfs/dbraw/zinc/95/73/39/1070957339.db2.gz XSKIVQWXVIZTKN-UHFFFAOYSA-N 1 0 480.682 3.843 20 0 JHADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001309767227 1070959622 /nfs/dbraw/zinc/95/96/22/1070959622.db2.gz VNRFYZNACNKDBI-KRWDZBQOSA-N 1 0 458.024 3.582 20 0 JHADRO C[NH+]1CCC(CNS(=O)(=O)Cc2ccc(Br)cc2F)(c2ccccc2)CC1 ZINC001309771606 1070961897 /nfs/dbraw/zinc/96/18/97/1070961897.db2.gz DRBGTKBHGQQYLE-UHFFFAOYSA-N 1 0 455.393 3.671 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(CC2CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314737430 1070966390 /nfs/dbraw/zinc/96/63/90/1070966390.db2.gz MSNFSCTWQZMEOL-GEFUHLBYSA-N 1 0 457.669 3.969 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(=O)N(C)C)CC1 ZINC001313698041 1070967755 /nfs/dbraw/zinc/96/77/55/1070967755.db2.gz PKSMNRKUPVXLEU-UHFFFAOYSA-N 1 0 495.441 3.636 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C)CCCC2)CC1 ZINC001313698799 1070971620 /nfs/dbraw/zinc/97/16/20/1070971620.db2.gz MQXKBVSKTJUWBB-UHFFFAOYSA-N 1 0 488.627 3.718 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)c1 ZINC001313699343 1070973259 /nfs/dbraw/zinc/97/32/59/1070973259.db2.gz BKVRAKKIHSYAPR-OFNKIYASSA-N 1 0 491.640 3.677 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC2(C)C)CC1 ZINC001313699179 1070973273 /nfs/dbraw/zinc/97/32/73/1070973273.db2.gz IWXSPIXGLJCMND-GOSISDBHSA-N 1 0 459.038 3.635 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001313699279 1070973308 /nfs/dbraw/zinc/97/33/08/1070973308.db2.gz WFPULXXXSQUIFD-ISKFKSNPSA-N 1 0 466.674 3.604 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(OC)CCCC2)CC1 ZINC001313701751 1070981345 /nfs/dbraw/zinc/98/13/45/1070981345.db2.gz YAQUHQFLRCBAEZ-UHFFFAOYSA-N 1 0 489.064 3.548 20 0 JHADRO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@H]2CCCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001314741979 1070980369 /nfs/dbraw/zinc/98/03/69/1070980369.db2.gz ODGBITHMYYVGAL-IBGZPJMESA-N 1 0 481.563 3.938 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001313701608 1070980531 /nfs/dbraw/zinc/98/05/31/1070980531.db2.gz AYTRVHPYQSCDBF-JOCHJYFZSA-N 1 0 462.598 3.620 20 0 JHADRO CN(Cc1cccc(C(F)(F)F)c1)c1nnc(Cc2cccnc2)n1CCC[NH+]1CCC(O)CC1 ZINC001314742262 1070980885 /nfs/dbraw/zinc/98/08/85/1070980885.db2.gz SZJAVNLJDCLFJR-UHFFFAOYSA-N 1 0 488.558 3.766 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCOC(C)(C)[C@@H]2C)cc1 ZINC001313700302 1070976796 /nfs/dbraw/zinc/97/67/96/1070976796.db2.gz QYYIHEZFFOVHHD-OYDLWJJNSA-N 1 0 485.673 3.896 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)C[C@H](C)C2)c1 ZINC001313700740 1070978201 /nfs/dbraw/zinc/97/82/01/1070978201.db2.gz ZIKSKBJCDQHXGC-OYRHEFFESA-N 1 0 452.647 3.887 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](F)COC)C1 ZINC001313701742 1070981315 /nfs/dbraw/zinc/98/13/15/1070981315.db2.gz KAYSCZCPYVTEGG-GJZGRUSLSA-N 1 0 474.444 3.922 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C)nnc2N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC001313702443 1070984342 /nfs/dbraw/zinc/98/43/42/1070984342.db2.gz AKLWDXRKNCHYIP-NRFANRHFSA-N 1 0 466.674 3.952 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(=O)NC(C)C)C1 ZINC001313703605 1070987416 /nfs/dbraw/zinc/98/74/16/1070987416.db2.gz ZVCIFZBJVZNGDR-RTBURBONSA-N 1 0 472.703 3.824 20 0 JHADRO CN(Cc1cccc(OC(F)F)c1)c1nnc(-c2cnn(C)c2)n1CC[N@H+](C)C1CCCC1 ZINC001314743764 1070984959 /nfs/dbraw/zinc/98/49/59/1070984959.db2.gz YMVUMWWWIZPNNH-UHFFFAOYSA-N 1 0 459.545 3.791 20 0 JHADRO CN(Cc1cccc(OC(F)F)c1)c1nnc(C2CCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314743771 1070984986 /nfs/dbraw/zinc/98/49/86/1070984986.db2.gz YYFRKHIAZTYPMI-UHFFFAOYSA-N 1 0 462.589 3.809 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(OC)CC2)c1 ZINC001313703245 1070985304 /nfs/dbraw/zinc/98/53/04/1070985304.db2.gz LZIGTGFLOWJKMA-MHZLTWQESA-N 1 0 482.673 3.686 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(=O)NC(C)C)C1 ZINC001313703602 1070987441 /nfs/dbraw/zinc/98/74/41/1070987441.db2.gz ZVCIFZBJVZNGDR-MOPGFXCFSA-N 1 0 472.703 3.824 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC=C(COC)CC2)cc1 ZINC001313703038 1070986142 /nfs/dbraw/zinc/98/61/42/1070986142.db2.gz DVHYTFNQNKWWSL-DEOSSOPVSA-N 1 0 453.631 3.845 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCS[C@@H](C)[C@@H]2C)cc1 ZINC001313703932 1070989395 /nfs/dbraw/zinc/98/93/95/1070989395.db2.gz IKSHHDKNYRRAGI-OALUTQOASA-N 1 0 458.676 3.637 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313704156 1070989717 /nfs/dbraw/zinc/98/97/17/1070989717.db2.gz HJEWVXJNTQOWCF-WOJBJXKFSA-N 1 0 467.536 3.787 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001313704154 1070989881 /nfs/dbraw/zinc/98/98/81/1070989881.db2.gz HHHONTMZRYOJGE-DDJHWDJXSA-N 1 0 482.673 3.903 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001313705000 1070992439 /nfs/dbraw/zinc/99/24/39/1070992439.db2.gz OUHJRXFSPCMAGM-QFIPXVFZSA-N 1 0 482.032 3.804 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)NC)CC2)cc1 ZINC001313704962 1070992443 /nfs/dbraw/zinc/99/24/43/1070992443.db2.gz OJFBKWVMBQTCTF-UHFFFAOYSA-N 1 0 454.663 3.719 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001313704988 1070992473 /nfs/dbraw/zinc/99/24/73/1070992473.db2.gz OOIUSVVQVKVBQK-UHFFFAOYSA-N 1 0 475.641 3.677 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001313705033 1070992516 /nfs/dbraw/zinc/99/25/16/1070992516.db2.gz PPEZBNLUGSTNDH-IBGZPJMESA-N 1 0 451.619 3.572 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2C[C@H]2C)C1 ZINC001313705514 1070993701 /nfs/dbraw/zinc/99/37/01/1070993701.db2.gz DBTNQMVKHFABRU-YZGWKJHDSA-N 1 0 459.038 3.686 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001313707281 1070998221 /nfs/dbraw/zinc/99/82/21/1070998221.db2.gz LHEAPTQRKPAHAM-GOSISDBHSA-N 1 0 477.535 3.826 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313705853 1070994970 /nfs/dbraw/zinc/99/49/70/1070994970.db2.gz VZMPBYDZAGATEH-BKMJKUGQSA-N 1 0 468.646 3.515 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CCC(=O)NC(C)C)C1 ZINC001313706721 1070996904 /nfs/dbraw/zinc/99/69/04/1070996904.db2.gz JADBMYMDSMMOFT-OAQYLSRUSA-N 1 0 477.657 3.885 20 0 JHADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001309856457 1070997364 /nfs/dbraw/zinc/99/73/64/1070997364.db2.gz WLELGUFFVXACKL-QHCPKHFHSA-N 1 0 451.633 3.550 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2(C)COC2)C1 ZINC001313707219 1070997519 /nfs/dbraw/zinc/99/75/19/1070997519.db2.gz KCSPWIOGFPSENK-KRWDZBQOSA-N 1 0 462.436 3.912 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3C)CC2)C1 ZINC001313707157 1070997531 /nfs/dbraw/zinc/99/75/31/1070997531.db2.gz LKVDSQSUFCSBCA-NRFANRHFSA-N 1 0 452.647 3.625 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)c(OC)c2)C1 ZINC001313707878 1070998650 /nfs/dbraw/zinc/99/86/50/1070998650.db2.gz UFJGSAMAVOHMFC-HXUWFJFHSA-N 1 0 450.587 3.574 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(NC(=O)OC)c2)C1 ZINC001313707934 1070998806 /nfs/dbraw/zinc/99/88/06/1070998806.db2.gz VSWFGNQKNCXLNU-LJQANCHMSA-N 1 0 451.575 3.668 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2Cl)C1 ZINC001313708378 1071000131 /nfs/dbraw/zinc/00/01/31/1071000131.db2.gz UYXXMNBYZKBGTD-SFHVURJKSA-N 1 0 477.028 3.717 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCS(=O)(=O)c2ccccc2)C1 ZINC001313708346 1071000153 /nfs/dbraw/zinc/00/01/53/1071000153.db2.gz UMNJEYHRXLPCIP-HXUWFJFHSA-N 1 0 461.676 3.608 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2c(C)nn(C)c2C)C1 ZINC001313708477 1071000327 /nfs/dbraw/zinc/00/03/27/1071000327.db2.gz WXJPXOSFDREQLB-JOCHJYFZSA-N 1 0 492.672 3.714 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC001313708611 1071000612 /nfs/dbraw/zinc/00/06/12/1071000612.db2.gz ACVBYFONTBVIKG-BHDDXSALSA-N 1 0 488.721 3.798 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H]2CCOC2)C1 ZINC001313708812 1071000649 /nfs/dbraw/zinc/00/06/49/1071000649.db2.gz ZMAXWYRZEXHYGJ-FGZHOGPDSA-N 1 0 468.646 3.742 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(C1)CCOCC2 ZINC001313708613 1071000734 /nfs/dbraw/zinc/00/07/34/1071000734.db2.gz AEXUOOZBOUPKML-UHFFFAOYSA-N 1 0 468.646 3.886 20 0 JHADRO CN(Cc1ccccn1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314750009 1071000698 /nfs/dbraw/zinc/00/06/98/1071000698.db2.gz FMLXNONKFDSYNM-UHFFFAOYSA-N 1 0 482.654 3.502 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(C)COC2)C1 ZINC001313709092 1071001124 /nfs/dbraw/zinc/00/11/24/1071001124.db2.gz GDEAAXMHIZAXKL-PMACEKPBSA-N 1 0 476.666 3.555 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([S@](C)=O)CCC2)C1 ZINC001313709213 1071001484 /nfs/dbraw/zinc/00/14/84/1071001484.db2.gz IQOPLRUEDLBFGZ-CDUDJAHCSA-N 1 0 479.735 3.666 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCOC2)C1 ZINC001313709896 1071003304 /nfs/dbraw/zinc/00/33/04/1071003304.db2.gz TXMHDSVHPULFJJ-RTBURBONSA-N 1 0 492.462 3.824 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2cccc(OC)c2)CC1 ZINC001313710320 1071004391 /nfs/dbraw/zinc/00/43/91/1071004391.db2.gz YOUFQSBTBONNTC-UHFFFAOYSA-N 1 0 468.646 3.639 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)OC)C1 ZINC001313710992 1071005849 /nfs/dbraw/zinc/00/58/49/1071005849.db2.gz LCOCGXLNAIZROM-LEWJYISDSA-N 1 0 492.709 3.986 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001313711348 1071006046 /nfs/dbraw/zinc/00/60/46/1071006046.db2.gz CMUQSGQTQDTIEE-QGZVFWFLSA-N 1 0 486.970 3.835 20 0 JHADRO CN(Cc1ccccc1Cl)c1nnc(Cc2ccncc2)n1CCCC[NH+]1CCOCC1 ZINC001314753475 1071006460 /nfs/dbraw/zinc/00/64/60/1071006460.db2.gz YPABBOLNMWQKDL-UHFFFAOYSA-N 1 0 455.006 3.666 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001313712669 1071009380 /nfs/dbraw/zinc/00/93/80/1071009380.db2.gz VGEUCIVRXBEGNX-MRXNPFEDSA-N 1 0 467.456 3.782 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C(=O)NC)CC1 ZINC001313712150 1071008164 /nfs/dbraw/zinc/00/81/64/1071008164.db2.gz SPPVPLZIBZRDGT-UHFFFAOYSA-N 1 0 495.441 3.541 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001313713028 1071009818 /nfs/dbraw/zinc/00/98/18/1071009818.db2.gz XTCHSCLDOURMAL-FQEVSTJZSA-N 1 0 453.591 3.761 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CC(C)C)n2Cc2nc3cc(OC)ccc3n2C)C1 ZINC001313713709 1071010880 /nfs/dbraw/zinc/01/08/80/1071010880.db2.gz SHOKILAWOUSUGY-LJQANCHMSA-N 1 0 453.635 3.588 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(F)cc(F)c(F)c2F)C1 ZINC001313713850 1071011158 /nfs/dbraw/zinc/01/11/58/1071011158.db2.gz VREWJXKEHQPBOF-HZPDHXFCSA-N 1 0 469.527 3.945 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001313714054 1071011215 /nfs/dbraw/zinc/01/12/15/1071011215.db2.gz WBRVTHMTSMVEMH-FQEVSTJZSA-N 1 0 467.643 3.637 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001313713953 1071011249 /nfs/dbraw/zinc/01/12/49/1071011249.db2.gz FXZHXJOGUTZKQR-UHFFFAOYSA-N 1 0 489.686 3.623 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@H]2OC)C1 ZINC001313714289 1071012123 /nfs/dbraw/zinc/01/21/23/1071012123.db2.gz XBVSXLUNBPPONG-QZNHQXDQSA-N 1 0 476.065 3.742 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCCC[C@@H](SC)C1 ZINC001313715872 1071015159 /nfs/dbraw/zinc/01/51/59/1071015159.db2.gz LNNXOFLXGYSQGM-LJQANCHMSA-N 1 0 483.686 3.646 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001313715671 1071015214 /nfs/dbraw/zinc/01/52/14/1071015214.db2.gz HHYMXEVUOHFBIE-XLIONFOSSA-N 1 0 480.451 3.559 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001313716127 1071015383 /nfs/dbraw/zinc/01/53/83/1071015383.db2.gz OLOSXSBHVMEPFD-DVECYGJZSA-N 1 0 478.037 3.627 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 ZINC001313715935 1071015475 /nfs/dbraw/zinc/01/54/75/1071015475.db2.gz MPPXJXWDUOJHML-VWLOTQADSA-N 1 0 452.578 3.617 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001313719806 1071020526 /nfs/dbraw/zinc/02/05/26/1071020526.db2.gz WRNVQWVNQPNDJH-KCPMXOJXSA-N 1 0 468.646 3.624 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(COc2ccccc2F)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314760078 1071015895 /nfs/dbraw/zinc/01/58/95/1071015895.db2.gz FWTUNPJVBOWKPL-FQEVSTJZSA-N 1 0 469.590 3.731 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001313719345 1071020047 /nfs/dbraw/zinc/02/00/47/1071020047.db2.gz OQCSATTUQJLXMF-NHCUHLMSSA-N 1 0 460.692 3.849 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001313719804 1071020586 /nfs/dbraw/zinc/02/05/86/1071020586.db2.gz WRNVQWVNQPNDJH-DYRZZGSRSA-N 1 0 468.646 3.624 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313717414 1071016853 /nfs/dbraw/zinc/01/68/53/1071016853.db2.gz PKPHCPFXCYKELN-DHLKQENFSA-N 1 0 457.619 3.918 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(-c2ccccc2Br)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314760534 1071016981 /nfs/dbraw/zinc/01/69/81/1071016981.db2.gz KQHDNIGNNYFMSJ-OAQYLSRUSA-N 1 0 490.475 3.515 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314761037 1071017565 /nfs/dbraw/zinc/01/75/65/1071017565.db2.gz VTKSKAQBCAZLQA-NJDAHSKKSA-N 1 0 471.675 3.931 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCSC2)C1 ZINC001313719346 1071020238 /nfs/dbraw/zinc/02/02/38/1071020238.db2.gz LZNAAIVQAGODDY-KOSHJBKYSA-N 1 0 491.105 3.925 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001313719343 1071020295 /nfs/dbraw/zinc/02/02/95/1071020295.db2.gz OQCSATTUQJLXMF-LEWJYISDSA-N 1 0 460.692 3.849 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001313718068 1071018435 /nfs/dbraw/zinc/01/84/35/1071018435.db2.gz VUCGLJILCFCGOM-GOSISDBHSA-N 1 0 463.573 3.840 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccccc2F)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001313718394 1071018764 /nfs/dbraw/zinc/01/87/64/1071018764.db2.gz YHUCBMQFDKUIBZ-UHFFFAOYSA-N 1 0 455.582 3.815 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001313718721 1071019358 /nfs/dbraw/zinc/01/93/58/1071019358.db2.gz CSNBUYNPRRRNDI-TZIWHRDSSA-N 1 0 494.644 3.953 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C)C1 ZINC001313720250 1071021265 /nfs/dbraw/zinc/02/12/65/1071021265.db2.gz IWPMDLXYOORYCA-MOPGFXCFSA-N 1 0 461.676 3.715 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001313722384 1071026260 /nfs/dbraw/zinc/02/62/60/1071026260.db2.gz YBWCNLXGDQQEJH-MJGOQNOKSA-N 1 0 453.591 3.759 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C)C1 ZINC001313720911 1071022266 /nfs/dbraw/zinc/02/22/66/1071022266.db2.gz UTCASWHUANJYHS-GOSISDBHSA-N 1 0 480.451 3.600 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313721463 1071024072 /nfs/dbraw/zinc/02/40/72/1071024072.db2.gz CNCIFDXHEXGJFE-RTBURBONSA-N 1 0 470.643 3.671 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001313721837 1071025120 /nfs/dbraw/zinc/02/51/20/1071025120.db2.gz SPIBKMSHCUVMHA-QGZVFWFLSA-N 1 0 465.017 3.773 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001313722243 1071026245 /nfs/dbraw/zinc/02/62/45/1071026245.db2.gz ZUGIZFHVDXWUFB-YLNUKYHNSA-N 1 0 490.052 3.827 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001313723226 1071028684 /nfs/dbraw/zinc/02/86/84/1071028684.db2.gz DWGMKXWYTVALPG-LJQANCHMSA-N 1 0 494.606 3.803 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001313723724 1071029182 /nfs/dbraw/zinc/02/91/82/1071029182.db2.gz MHANNAFGWDYDCO-IXDOHACOSA-N 1 0 465.440 3.629 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313723691 1071029217 /nfs/dbraw/zinc/02/92/17/1071029217.db2.gz KWCBZTWOOLGZSX-KURKYZTESA-N 1 0 459.660 3.861 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001313724080 1071030128 /nfs/dbraw/zinc/03/01/28/1071030128.db2.gz PMAGZCPUMJYFNI-RTBURBONSA-N 1 0 499.685 3.872 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 ZINC001313724411 1071030698 /nfs/dbraw/zinc/03/06/98/1071030698.db2.gz PYLUDGCSXMEHFD-JOCHJYFZSA-N 1 0 464.662 3.724 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(C)s1 ZINC001313722825 1071027519 /nfs/dbraw/zinc/02/75/19/1071027519.db2.gz DMWJNZUAXDCDIU-QGZVFWFLSA-N 1 0 489.715 3.975 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001313722892 1071027830 /nfs/dbraw/zinc/02/78/30/1071027830.db2.gz HVYRNKVUYICGCD-KSZLIROESA-N 1 0 458.676 3.529 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001313722894 1071027943 /nfs/dbraw/zinc/02/79/43/1071027943.db2.gz HVYRNKVUYICGCD-KZNAEPCWSA-N 1 0 458.676 3.529 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001313724982 1071031581 /nfs/dbraw/zinc/03/15/81/1071031581.db2.gz CVNGKDGTBZCAES-FGZHOGPDSA-N 1 0 482.673 3.610 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001313724816 1071031636 /nfs/dbraw/zinc/03/16/36/1071031636.db2.gz WOAJLBZXOKBMQS-LJQANCHMSA-N 1 0 487.693 3.742 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001313725721 1071033523 /nfs/dbraw/zinc/03/35/23/1071033523.db2.gz PHLXEPMDZXURCD-NQIIRXRSSA-N 1 0 462.589 3.855 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCC[C@H](NC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001313726200 1071034596 /nfs/dbraw/zinc/03/45/96/1071034596.db2.gz BIQXNHWJGNXXDH-OFNKIYASSA-N 1 0 452.647 3.583 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001313726522 1071035027 /nfs/dbraw/zinc/03/50/27/1071035027.db2.gz MAZAUHVUMXCBSC-JSRBNTPPSA-N 1 0 471.646 3.619 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(c3cc(C)ccc3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313727081 1071036159 /nfs/dbraw/zinc/03/61/59/1071036159.db2.gz WGWBYKPGKZLYRS-YWEHKCAJSA-N 1 0 498.716 3.992 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001309980361 1071037326 /nfs/dbraw/zinc/03/73/26/1071037326.db2.gz JIOAVUJYGOEIJN-XXBNENTESA-N 1 0 456.612 3.503 20 0 JHADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001309979735 1071037339 /nfs/dbraw/zinc/03/73/39/1071037339.db2.gz DCEXXKHALTXLOI-JOCHJYFZSA-N 1 0 456.612 3.647 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001313729424 1071042267 /nfs/dbraw/zinc/04/22/67/1071042267.db2.gz XNLKHLWTDLNZFL-UHFFFAOYSA-N 1 0 492.672 3.671 20 0 JHADRO NC(=O)CSc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001309985616 1071039854 /nfs/dbraw/zinc/03/98/54/1071039854.db2.gz ARCLIABFZFMISD-MRXNPFEDSA-N 1 0 452.502 3.679 20 0 JHADRO C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001309991061 1071041281 /nfs/dbraw/zinc/04/12/81/1071041281.db2.gz KJRHJMFHXZGPKV-GUDVDZBRSA-N 1 0 456.612 3.643 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001313730306 1071044617 /nfs/dbraw/zinc/04/46/17/1071044617.db2.gz RSMMJENIDSGYFT-SFHVURJKSA-N 1 0 459.541 3.998 20 0 JHADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001309996482 1071046153 /nfs/dbraw/zinc/04/61/53/1071046153.db2.gz BKNBIJKMKRWEAT-SIKLNZKXSA-N 1 0 450.649 3.835 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCCCO2)n1CCCC[NH+]1CCOCC1 ZINC001313731626 1071047611 /nfs/dbraw/zinc/04/76/11/1071047611.db2.gz UVBXOIWCBLBVFX-JOCHJYFZSA-N 1 0 463.573 3.937 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001313736239 1071058113 /nfs/dbraw/zinc/05/81/13/1071058113.db2.gz IBWGAXLIVARVAQ-NRFANRHFSA-N 1 0 468.646 3.814 20 0 JHADRO CN(Cc1ccon1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314780203 1071055130 /nfs/dbraw/zinc/05/51/30/1071055130.db2.gz CNONVWRKOHBKTP-SXLOBPIMSA-N 1 0 487.649 3.794 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001313738294 1071062408 /nfs/dbraw/zinc/06/24/08/1071062408.db2.gz SXAAOIUCYAYGNW-VWLOTQADSA-N 1 0 483.686 3.612 20 0 JHADRO C[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001310018836 1071063342 /nfs/dbraw/zinc/06/33/42/1071063342.db2.gz HPLVCTAXOIXLKV-FXAWDEMLSA-N 1 0 453.553 3.795 20 0 JHADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCCOC2)n1CC[NH+]1CCCCC1 ZINC001313737147 1071060083 /nfs/dbraw/zinc/06/00/83/1071060083.db2.gz ANROJYSLZFEXIX-OAQYLSRUSA-N 1 0 457.619 3.702 20 0 JHADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001313737634 1071060991 /nfs/dbraw/zinc/06/09/91/1071060991.db2.gz JHQNNEHBTGAKIR-LEWJYISDSA-N 1 0 457.619 3.700 20 0 JHADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)Nc1nc(CN2CCCCC2)cs1 ZINC001310021787 1071065955 /nfs/dbraw/zinc/06/59/55/1071065955.db2.gz NSSPLSVGEQGDQC-UHFFFAOYSA-N 1 0 457.644 3.668 20 0 JHADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001310020872 1071066148 /nfs/dbraw/zinc/06/61/48/1071066148.db2.gz TXPRTYBZDWVQDS-UXHICEINSA-N 1 0 459.635 3.904 20 0 JHADRO CN(C[C@@H]1CC=CCC1)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314790603 1071068154 /nfs/dbraw/zinc/06/81/54/1071068154.db2.gz PMBQYFMXIKPVOK-KNQAVFIVSA-N 1 0 454.594 3.635 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC001310020082 1071064617 /nfs/dbraw/zinc/06/46/17/1071064617.db2.gz RUURUKWFGPXFEV-LJQANCHMSA-N 1 0 451.011 3.579 20 0 JHADRO C[C@H](CNC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC001310037885 1071077230 /nfs/dbraw/zinc/07/72/30/1071077230.db2.gz CBOXEVMYTQCXDN-HXUWFJFHSA-N 1 0 458.628 3.749 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)nc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001313751530 1071086810 /nfs/dbraw/zinc/08/68/10/1071086810.db2.gz ODNWZEUOTMFHMS-UHFFFAOYSA-N 1 0 475.066 3.581 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc(CC(C)(C)C)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001314804672 1071090397 /nfs/dbraw/zinc/09/03/97/1071090397.db2.gz WIBFPHGIIUAFRW-XMMPIXPASA-N 1 0 469.674 3.877 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C)n2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001313753107 1071090541 /nfs/dbraw/zinc/09/05/41/1071090541.db2.gz CXWDLTJTGPHSST-HSZRJFAPSA-N 1 0 462.577 3.851 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001313753113 1071090641 /nfs/dbraw/zinc/09/06/41/1071090641.db2.gz CXWDLTJTGPHSST-QHCPKHFHSA-N 1 0 462.577 3.851 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(Br)c2)n1CC[N@H+]1CC=CCC1 ZINC001314806098 1071092965 /nfs/dbraw/zinc/09/29/65/1071092965.db2.gz GCGUGLROHMSGQX-SFHVURJKSA-N 1 0 460.420 3.832 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(CCc2ccccc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313755231 1071095072 /nfs/dbraw/zinc/09/50/72/1071095072.db2.gz NPPWYJFYLRUIBM-SZPZYZBQSA-N 1 0 479.673 3.711 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(CCc2ccccc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313755230 1071095265 /nfs/dbraw/zinc/09/52/65/1071095265.db2.gz NPPWYJFYLRUIBM-FGZHOGPDSA-N 1 0 479.673 3.711 20 0 JHADRO CCN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc(CC(C)(C)C)n1CC[N@H+]1CC=CCC1 ZINC001313756183 1071097898 /nfs/dbraw/zinc/09/78/98/1071097898.db2.gz ALKIHSNGTZKAJH-UHFFFAOYSA-N 1 0 455.632 3.865 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)Cc1ccccc1 ZINC001310073309 1071098954 /nfs/dbraw/zinc/09/89/54/1071098954.db2.gz PQZRGFIHRBRFGD-JOCHJYFZSA-N 1 0 458.628 3.546 20 0 JHADRO CCN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc(CCc2ccccc2)n1C[C@H](C)[NH+](C)C ZINC001313756705 1071099628 /nfs/dbraw/zinc/09/96/28/1071099628.db2.gz HEDCNBWIRAKANS-KRWDZBQOSA-N 1 0 465.627 3.750 20 0 JHADRO CCN(Cc1c[nH]c2ccccc12)c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001313758577 1071105033 /nfs/dbraw/zinc/10/50/33/1071105033.db2.gz YPCWPFBJDXREDQ-OAQYLSRUSA-N 1 0 465.646 3.998 20 0 JHADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1CCN1CCOC(C)(C)C1 ZINC001314812167 1071108016 /nfs/dbraw/zinc/10/80/16/1071108016.db2.gz SWMNVBIYTAOXQD-QHCPKHFHSA-N 1 0 468.690 3.645 20 0 JHADRO CN(C)c1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(C(F)(F)F)c1 ZINC001310106115 1071121142 /nfs/dbraw/zinc/12/11/42/1071121142.db2.gz VQNJVPGLDKDZRW-FXAWDEMLSA-N 1 0 450.505 3.776 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(COc2ccccc2F)n1CC[N@H+](C)C1CCCC1 ZINC001314819421 1071133046 /nfs/dbraw/zinc/13/30/46/1071133046.db2.gz NGEDKMYSZKONDL-UHFFFAOYSA-N 1 0 475.609 3.706 20 0 JHADRO CCOC(=O)c1cnn(-c2ccc(NC(=O)NC3(C[NH+](C)C)CCC3)cc2)c1C(F)(F)F ZINC001310116702 1071129531 /nfs/dbraw/zinc/12/95/31/1071129531.db2.gz RDVNXVKWNBCLJO-UHFFFAOYSA-N 1 0 453.465 3.674 20 0 JHADRO COC(=O)c1ccc(F)c(NC(=O)NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)c1 ZINC001310125476 1071136261 /nfs/dbraw/zinc/13/62/61/1071136261.db2.gz XUOSELXCVXIJSG-HDICACEKSA-N 1 0 457.546 3.943 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(Cc2ccncc2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001313777901 1071137229 /nfs/dbraw/zinc/13/72/29/1071137229.db2.gz OZQMSRZYDJKURS-GOTSBHOMSA-N 1 0 452.578 3.711 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313778910 1071141039 /nfs/dbraw/zinc/14/10/39/1071141039.db2.gz LJGBDLWLJKMRST-MBDNFAEBSA-N 1 0 463.667 3.518 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(Cn2nc(C)cc2C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001313781493 1071146303 /nfs/dbraw/zinc/14/63/03/1071146303.db2.gz CJPBJIQXSOOWFT-VIZSFHNOSA-N 1 0 457.667 3.513 20 0 JHADRO CN1CC(=O)N(c2cccc(NC(=O)NCC[NH2+]C(c3ccccc3)c3ccccc3)c2)C1=O ZINC001310146247 1071154505 /nfs/dbraw/zinc/15/45/05/1071154505.db2.gz LGZZJQPBAYMPQP-UHFFFAOYSA-N 1 0 457.534 3.586 20 0 JHADRO CCN(CC1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)C(C)C)CC1)C(=O)OC(C)(C)C ZINC001313784822 1071157576 /nfs/dbraw/zinc/15/75/76/1071157576.db2.gz HLCDFFNZPYDOIN-OAQYLSRUSA-N 1 0 478.682 3.596 20 0 JHADRO CN(CCc1cnccn1)c1nnc(-c2ccccc2F)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314831372 1071163677 /nfs/dbraw/zinc/16/36/77/1071163677.db2.gz QPJRTSBEXFPYMV-NRFANRHFSA-N 1 0 451.575 3.918 20 0 JHADRO CN(CCc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314831485 1071163722 /nfs/dbraw/zinc/16/37/22/1071163722.db2.gz FAAKTLAIXNESLU-HXUWFJFHSA-N 1 0 470.618 3.583 20 0 JHADRO CN(CCc1cnccn1)c1nnc(-c2ccc(F)cc2Br)n1CC1([NH+](C)C)CCC1 ZINC001314833583 1071170615 /nfs/dbraw/zinc/17/06/15/1071170615.db2.gz NGLPNMHFZTVGOE-UHFFFAOYSA-N 1 0 488.409 3.800 20 0 JHADRO CCN(CCc1cccs1)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001313789672 1071180644 /nfs/dbraw/zinc/18/06/44/1071180644.db2.gz REVCFPYARSEQCW-JOCHJYFZSA-N 1 0 490.471 3.905 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001313788909 1071177677 /nfs/dbraw/zinc/17/76/77/1071177677.db2.gz NLBMYFUEEILZSP-UXHICEINSA-N 1 0 494.610 3.568 20 0 JHADRO CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313791290 1071185976 /nfs/dbraw/zinc/18/59/76/1071185976.db2.gz NZHZHURZNOPKRX-UHFFFAOYSA-N 1 0 481.714 3.729 20 0 JHADRO CN(CCCc1ccccn1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314839998 1071186033 /nfs/dbraw/zinc/18/60/33/1071186033.db2.gz RJLBDNZTGGAECI-NRFANRHFSA-N 1 0 476.629 3.510 20 0 JHADRO CN(CCC1CC1)c1nnc(-c2ccccc2Br)n1CC[NH+]1CCSCC1 ZINC001314839697 1071185347 /nfs/dbraw/zinc/18/53/47/1071185347.db2.gz GYEAGWSJEQLKRX-UHFFFAOYSA-N 1 0 450.450 3.993 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1)CC(F)(F)F ZINC001313790793 1071185365 /nfs/dbraw/zinc/18/53/65/1071185365.db2.gz YKLISFOYNFQKCJ-AQNXPRMDSA-N 1 0 496.626 3.510 20 0 JHADRO CN(CCC1CCOCC1)c1nnc(COc2ccc(Br)cc2)n1CC[NH+]1CCCC1 ZINC001314840135 1071186836 /nfs/dbraw/zinc/18/68/36/1071186836.db2.gz GPDCGXZXJJSQLO-UHFFFAOYSA-N 1 0 492.462 3.968 20 0 JHADRO C[N@H+](CCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)C1CCCCC1 ZINC001314845681 1071200829 /nfs/dbraw/zinc/20/08/29/1071200829.db2.gz PZCFJPSIOMOBLH-UHFFFAOYSA-N 1 0 470.666 3.558 20 0 JHADRO CC[N@H+](CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2nnc(C)o2)C1)C(C)C ZINC001313802242 1071208387 /nfs/dbraw/zinc/20/83/87/1071208387.db2.gz NXIYDHWFMWXOEP-LAUBAEHRSA-N 1 0 487.580 3.557 20 0 JHADRO 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CN(CCOC(C)(C)C)c1nnc(CC(C)(C)C)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001314877834 1071296528 /nfs/dbraw/zinc/29/65/28/1071296528.db2.gz BVKJZYNUWWEKMF-UHFFFAOYSA-N 1 0 470.706 3.936 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001314878189 1071297674 /nfs/dbraw/zinc/29/76/74/1071297674.db2.gz HJLXEIHBFCPPDG-VWLOTQADSA-N 1 0 492.668 3.806 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N2CCCCC2=O)CC1)C(C)C ZINC001313827438 1071299350 /nfs/dbraw/zinc/29/93/50/1071299350.db2.gz WIYDKNWJZPEXRT-ISKFKSNPSA-N 1 0 488.721 3.908 20 0 JHADRO CN(CCOc1cccc(Cl)c1)c1nnc(-c2cccnc2)n1CC[NH+]1CCSCC1 ZINC001314879280 1071300327 /nfs/dbraw/zinc/30/03/27/1071300327.db2.gz KPAIBKUDYKHGHQ-UHFFFAOYSA-N 1 0 459.019 3.558 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)CCO2)cn1 ZINC001313833075 1071307595 /nfs/dbraw/zinc/30/75/95/1071307595.db2.gz QAPVGALWWZAEGC-RBUKOAKNSA-N 1 0 457.648 3.734 20 0 JHADRO CN(CCOc1ccc(Cl)cc1)c1nnc(-c2cccnc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314880186 1071303270 /nfs/dbraw/zinc/30/32/70/1071303270.db2.gz RAOVSTLCAHYHMK-UHFFFAOYSA-N 1 0 484.048 3.535 20 0 JHADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC001310321536 1071304420 /nfs/dbraw/zinc/30/44/20/1071304420.db2.gz ITHPZHHJVDYXRQ-UHFFFAOYSA-N 1 0 450.381 3.641 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccn(Cc2ccccn2)n1 ZINC001310330523 1071311904 /nfs/dbraw/zinc/31/19/04/1071311904.db2.gz VHLWFCHLJREPER-UHFFFAOYSA-N 1 0 457.376 3.685 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCOCC2)cn1 ZINC001313835365 1071313877 /nfs/dbraw/zinc/31/38/77/1071313877.db2.gz NSBIABZAIHGRQT-QFIPXVFZSA-N 1 0 495.672 3.999 20 0 JHADRO CN(C[C@H]1CCCO1)c1nnc(COc2ccccc2F)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314891174 1071320411 /nfs/dbraw/zinc/32/04/11/1071320411.db2.gz VAZVKRSUSGTWHW-QUCCMNQESA-N 1 0 459.591 3.976 20 0 JHADRO CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001314891376 1071320905 /nfs/dbraw/zinc/32/09/05/1071320905.db2.gz XMULEKKCHJYOQE-UXHICEINSA-N 1 0 476.666 3.840 20 0 JHADRO CCn1cc(CN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC001313840200 1071324393 /nfs/dbraw/zinc/32/43/93/1071324393.db2.gz HBBKMSNXSAODFL-SFTDATJTSA-N 1 0 464.662 3.873 20 0 JHADRO CCn1cc(CN(C)c2nnc(-c3ccccc3Cl)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001313839096 1071322330 /nfs/dbraw/zinc/32/23/30/1071322330.db2.gz MWNVXLPLNGALBQ-KDURUIRLSA-N 1 0 472.037 3.951 20 0 JHADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCCO1 ZINC001314892818 1071323255 /nfs/dbraw/zinc/32/32/55/1071323255.db2.gz KWVHWMMARCNJSG-XKCSPQBFSA-N 1 0 457.667 3.689 20 0 JHADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC001310353968 1071332996 /nfs/dbraw/zinc/33/29/96/1071332996.db2.gz MXUGZBILRFKBPU-UHFFFAOYSA-N 1 0 453.008 3.672 20 0 JHADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC001310360081 1071337961 /nfs/dbraw/zinc/33/79/61/1071337961.db2.gz QYDPBBAFVQVMBH-UHFFFAOYSA-N 1 0 452.555 3.599 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)cc2)C[C@H](C)O1 ZINC001310377580 1071352259 /nfs/dbraw/zinc/35/22/59/1071352259.db2.gz SNMMQPIVJDCYJK-HDICACEKSA-N 1 0 456.562 3.801 20 0 JHADRO CCn1cnnc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313855184 1071354058 /nfs/dbraw/zinc/35/40/58/1071354058.db2.gz IBMGNOGSASAOIL-UHFFFAOYSA-N 1 0 493.443 3.744 20 0 JHADRO CCn1cccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1=O ZINC001313851674 1071349474 /nfs/dbraw/zinc/34/94/74/1071349474.db2.gz SITYUGIGMJZXMP-LJQANCHMSA-N 1 0 482.604 3.708 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCCC1 ZINC001314918031 1071360984 /nfs/dbraw/zinc/36/09/84/1071360984.db2.gz MYIKXAAMGNNUOH-HXUWFJFHSA-N 1 0 471.650 3.653 20 0 JHADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 ZINC001310389773 1071362724 /nfs/dbraw/zinc/36/27/24/1071362724.db2.gz OUTCCOZRKKRCRI-UHFFFAOYSA-N 1 0 458.506 3.519 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(F)c(F)c2)C[C@H]1C ZINC001313859436 1071363761 /nfs/dbraw/zinc/36/37/61/1071363761.db2.gz FYHYHOVKBHBNEN-WYEJZRMESA-N 1 0 477.600 3.759 20 0 JHADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001314923458 1071366726 /nfs/dbraw/zinc/36/67/26/1071366726.db2.gz FRPXZTDCORVEAJ-NRFANRHFSA-N 1 0 488.627 3.770 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC(C)C)cc2)C[C@@H]1C ZINC001313859862 1071366839 /nfs/dbraw/zinc/36/68/39/1071366839.db2.gz LQFIJFCOMQBPOV-SFTDATJTSA-N 1 0 468.646 3.516 20 0 JHADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCCCCC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001314928918 1071371370 /nfs/dbraw/zinc/37/13/70/1071371370.db2.gz QFDBHWHOZSJSAO-QFIPXVFZSA-N 1 0 488.702 3.696 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001314925033 1071367278 /nfs/dbraw/zinc/36/72/78/1071367278.db2.gz QZNBJCFOQZVKPR-PMACEKPBSA-N 1 0 481.563 3.788 20 0 JHADRO CN(Cc1csc(Br)c1)c1nnc(-c2ccccc2F)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314925002 1071367348 /nfs/dbraw/zinc/36/73/48/1071367348.db2.gz YSNAECMHAZKCMT-HXUWFJFHSA-N 1 0 480.407 3.611 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNC(=O)C(C)C)C[C@H]1C ZINC001313860484 1071369784 /nfs/dbraw/zinc/36/97/84/1071369784.db2.gz LGMVDOFOFJNRKO-MSOLQXFVSA-N 1 0 478.588 3.628 20 0 JHADRO C[N@@H+]1CC[C@](O)(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001314928568 1071370794 /nfs/dbraw/zinc/37/07/94/1071370794.db2.gz RNSGIMFPMDFIDB-XMMPIXPASA-N 1 0 493.574 3.920 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001314928019 1071370817 /nfs/dbraw/zinc/37/08/17/1071370817.db2.gz JKRQQVBTZTUPHP-ACRUOGEOSA-N 1 0 490.693 3.786 20 0 JHADRO C[N@@H+]1CCN(CCn2c(COc3ccccc3F)nnc2N2CCCCCCC2)CC1(C)C ZINC001314931756 1071377108 /nfs/dbraw/zinc/37/71/08/1071377108.db2.gz VFVWOTAYOAGJAK-UHFFFAOYSA-N 1 0 458.626 3.793 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)COC)C[C@H]1C ZINC001313861125 1071373128 /nfs/dbraw/zinc/37/31/28/1071373128.db2.gz LUDQAPKCKUPIHD-CVEARBPZSA-N 1 0 467.456 3.638 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCSC)C[C@@H]1C ZINC001313861268 1071373314 /nfs/dbraw/zinc/37/33/14/1071373314.db2.gz PSRQLTMYYCZMQL-IRXDYDNUSA-N 1 0 465.067 3.534 20 0 JHADRO CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cn1 ZINC001310410789 1071374471 /nfs/dbraw/zinc/37/44/71/1071374471.db2.gz UHUPGQUNIKVVQJ-BJKOFHAPSA-N 1 0 475.593 3.971 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCS2)C[C@@H]1C ZINC001313861704 1071375202 /nfs/dbraw/zinc/37/52/02/1071375202.db2.gz QTNZUCFXLQIKGI-JENIJYKNSA-N 1 0 475.659 3.785 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001314928975 1071372199 /nfs/dbraw/zinc/37/21/99/1071372199.db2.gz RIJXBYQHLSRHLU-FGZHOGPDSA-N 1 0 497.688 3.830 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1C ZINC001313863285 1071381361 /nfs/dbraw/zinc/38/13/61/1071381361.db2.gz SUMVBXQFAFSAAP-SOUVJXGZSA-N 1 0 473.515 3.526 20 0 JHADRO C[N@@H+]1CCN(CCn2c(Cc3ccccc3F)nnc2N2CC=C(C(F)(F)F)CC2)CC1(C)C ZINC001314932044 1071377976 /nfs/dbraw/zinc/37/79/76/1071377976.db2.gz XHZFEFZXUCQCRQ-UHFFFAOYSA-N 1 0 480.554 3.733 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(F)(F)F)C[C@@H]1C ZINC001313862674 1071378282 /nfs/dbraw/zinc/37/82/82/1071378282.db2.gz UEWBYIXBVGJRRP-JKSUJKDBSA-N 1 0 473.565 3.610 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313863013 1071379696 /nfs/dbraw/zinc/37/96/96/1071379696.db2.gz UVVGJVLLYFSVAF-FGZHOGPDSA-N 1 0 498.672 3.652 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3csc(N4CCOCC4)n3)n2CCSCC(C)C)C[C@@H]1C ZINC001313863057 1071380431 /nfs/dbraw/zinc/38/04/31/1071380431.db2.gz JIJJECCROKGKMJ-RBUKOAKNSA-N 1 0 493.747 3.546 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(C)(C)C)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313863052 1071380723 /nfs/dbraw/zinc/38/07/23/1071380723.db2.gz UYIDEWXWIUZRGT-JKSUJKDBSA-N 1 0 454.541 3.987 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccn2C(F)F)C[C@H]1C ZINC001313863305 1071381155 /nfs/dbraw/zinc/38/11/55/1071381155.db2.gz SXNQZGTWHDGJGP-OLZOCXBDSA-N 1 0 483.365 3.595 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccn2C(F)F)C[C@@H]1C ZINC001313863309 1071381178 /nfs/dbraw/zinc/38/11/78/1071381178.db2.gz SXNQZGTWHDGJGP-STQMWFEESA-N 1 0 483.365 3.595 20 0 JHADRO COc1ccc(OC)c2c1CN(C(=O)Nc1ccc(OCC[NH+]3CCCCC3)cc1)C[C@@H]2O ZINC001310424672 1071383570 /nfs/dbraw/zinc/38/35/70/1071383570.db2.gz YXJNLUGVGVMJRZ-NRFANRHFSA-N 1 0 455.555 3.650 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2CCOCC2)C[C@@H]1C ZINC001313864133 1071385612 /nfs/dbraw/zinc/38/56/12/1071385612.db2.gz XINAVSXMOHCNCX-OALUTQOASA-N 1 0 461.054 3.628 20 0 JHADRO CC1CC[NH+](CCc2cccc(NC(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)c2)CC1 ZINC001310442554 1071392118 /nfs/dbraw/zinc/39/21/18/1071392118.db2.gz UYOUYYMDZKIGAH-UHFFFAOYSA-N 1 0 454.537 3.883 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001313865868 1071394445 /nfs/dbraw/zinc/39/44/45/1071394445.db2.gz YMKHPCPGYZMECW-AABGKKOBSA-N 1 0 482.604 3.532 20 0 JHADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC001310443684 1071393346 /nfs/dbraw/zinc/39/33/46/1071393346.db2.gz REVXDMGWKWMIPY-UHFFFAOYSA-N 1 0 455.319 3.695 20 0 JHADRO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001310443277 1071393563 /nfs/dbraw/zinc/39/35/63/1071393563.db2.gz CEWHEEVSFXQZDH-FHWLQOOXSA-N 1 0 452.665 3.783 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCC(F)(F)F)C[C@@H]1C ZINC001313867436 1071400075 /nfs/dbraw/zinc/40/00/75/1071400075.db2.gz SUVRVWXXNFDPLN-GJZGRUSLSA-N 1 0 463.508 3.855 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001313867223 1071399020 /nfs/dbraw/zinc/39/90/20/1071399020.db2.gz IMHHTSAQUUOSCA-VXKWHMMOSA-N 1 0 482.673 3.851 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)C[NH+]1CCCC1 ZINC001314944811 1071400797 /nfs/dbraw/zinc/40/07/97/1071400797.db2.gz FXIKPPIUJWFFHU-HZPDHXFCSA-N 1 0 467.445 3.802 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314945227 1071402120 /nfs/dbraw/zinc/40/21/20/1071402120.db2.gz IGDTZMFIFKCRCR-VGSWGCGISA-N 1 0 477.638 3.676 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001314945189 1071402142 /nfs/dbraw/zinc/40/21/42/1071402142.db2.gz HXWKQIDCWSJOCM-ZWKOTPCHSA-N 1 0 477.053 3.690 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)C2CCCCC2)C[C@@H]1C ZINC001313868281 1071403303 /nfs/dbraw/zinc/40/33/03/1071403303.db2.gz MTUSLVDTFWNQPE-LLJLJFOGSA-N 1 0 460.692 3.884 20 0 JHADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)[C@@H](C)C1 ZINC001310460811 1071403564 /nfs/dbraw/zinc/40/35/64/1071403564.db2.gz WOQWSTCXTWGBLX-HOTGVXAUSA-N 1 0 455.946 3.994 20 0 JHADRO Cc1c(-c2ccccc2)sc(NC(=O)NCC2=CC[N@H+](C)CC2)c1C(=O)N1CCOCC1 ZINC001310462734 1071405102 /nfs/dbraw/zinc/40/51/02/1071405102.db2.gz UVRPAIHYHJBRJG-UHFFFAOYSA-N 1 0 454.596 3.579 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313868561 1071405263 /nfs/dbraw/zinc/40/52/63/1071405263.db2.gz BVIIBRAUSJRIKJ-RBUKOAKNSA-N 1 0 457.623 3.564 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313868562 1071405313 /nfs/dbraw/zinc/40/53/13/1071405313.db2.gz BVIIBRAUSJRIKJ-RTBURBONSA-N 1 0 457.623 3.564 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC001313870001 1071411601 /nfs/dbraw/zinc/41/16/01/1071411601.db2.gz DQPMYVGHBNVHSL-IUKKYPGJSA-N 1 0 474.531 3.709 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313871418 1071416860 /nfs/dbraw/zinc/41/68/60/1071416860.db2.gz YZBRHFQWECMXKS-RBUKOAKNSA-N 1 0 481.645 3.794 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2cccc(NC(=O)OC)c2)C[C@@H]1C ZINC001313870195 1071412123 /nfs/dbraw/zinc/41/21/23/1071412123.db2.gz ZAUANVCUOLZWOB-OALUTQOASA-N 1 0 463.586 3.794 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2Cc2ccnc(OC(F)F)c2)C[C@H]1C ZINC001313870600 1071414082 /nfs/dbraw/zinc/41/40/82/1071414082.db2.gz DZDRHNQFMIVKPV-IAGOWNOFSA-N 1 0 474.531 3.972 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314949961 1071416048 /nfs/dbraw/zinc/41/60/48/1071416048.db2.gz WGROGHWHXPJODW-CYFREDJKSA-N 1 0 492.672 3.664 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2Cc2cc(Br)ccc2OC)C[C@@H]1C ZINC001313871850 1071418355 /nfs/dbraw/zinc/41/83/55/1071418355.db2.gz UAGVGPCBOWSVMD-ULQDDVLXSA-N 1 0 478.435 3.520 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313872195 1071419976 /nfs/dbraw/zinc/41/99/76/1071419976.db2.gz JIUAHHKANWQCQA-CABCVRRESA-N 1 0 465.549 3.977 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nnc(C)s2)C[C@@H]1C ZINC001313872439 1071420970 /nfs/dbraw/zinc/42/09/70/1071420970.db2.gz XJEQZLFELYJPFO-KBPBESRZSA-N 1 0 462.023 3.734 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCc2c(F)cccc2F)C[C@@H]1C ZINC001313873051 1071423559 /nfs/dbraw/zinc/42/35/59/1071423559.db2.gz BQOCCNGBUQDPIF-OALUTQOASA-N 1 0 457.573 3.580 20 0 JHADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1)C[C@@H]1CCCCO1 ZINC001310489044 1071427775 /nfs/dbraw/zinc/42/77/75/1071427775.db2.gz BJCKPNZGMPASQZ-URXFXBBRSA-N 1 0 456.631 3.989 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1([NH+](C)C)CCCCC1 ZINC001314955149 1071428700 /nfs/dbraw/zinc/42/87/00/1071428700.db2.gz NTTVQVRAGRJSKK-LJQANCHMSA-N 1 0 479.629 3.683 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCOCC(F)(F)C(F)F)C[C@@H]1C ZINC001313875389 1071433815 /nfs/dbraw/zinc/43/38/15/1071433815.db2.gz RXTLESOZUQMYFU-HOTGVXAUSA-N 1 0 473.515 3.790 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313874686 1071429569 /nfs/dbraw/zinc/42/95/69/1071429569.db2.gz JLTPLORIKACYMF-VXKWHMMOSA-N 1 0 463.630 3.982 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCCC2)C[C@H]1C ZINC001313874744 1071430292 /nfs/dbraw/zinc/43/02/92/1071430292.db2.gz JVQADUFSPKBYIC-RTBURBONSA-N 1 0 474.675 3.538 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001313874855 1071431170 /nfs/dbraw/zinc/43/11/70/1071431170.db2.gz OKMPAVAVNALIAZ-GJZGRUSLSA-N 1 0 461.479 3.993 20 0 JHADRO C[N@H+](CCN1CCN(C(=O)Nc2ccccc2C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC001310492188 1071431450 /nfs/dbraw/zinc/43/14/50/1071431450.db2.gz ZTAZKXLWBUKVRB-UHFFFAOYSA-N 1 0 452.599 3.923 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001313876256 1071437350 /nfs/dbraw/zinc/43/73/50/1071437350.db2.gz IUHXZGFNZCNILW-OAQYLSRUSA-N 1 0 482.673 3.859 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313876618 1071439384 /nfs/dbraw/zinc/43/93/84/1071439384.db2.gz VAGKVGQFNLYEHQ-ACRUOGEOSA-N 1 0 483.661 3.906 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC001313877347 1071441548 /nfs/dbraw/zinc/44/15/48/1071441548.db2.gz XDHVMXBMVSAGAI-OALUTQOASA-N 1 0 480.613 3.528 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC001313877418 1071441702 /nfs/dbraw/zinc/44/17/02/1071441702.db2.gz TYFWHRZKNBDFBT-ROUUACIJSA-N 1 0 455.006 3.893 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(C)C)nnc2N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)CC1 ZINC001313878121 1071443819 /nfs/dbraw/zinc/44/38/19/1071443819.db2.gz VILFJWZHMSLZDL-HXUWFJFHSA-N 1 0 472.682 3.913 20 0 JHADRO CCN1C[C@H](CN(C)c2nnc([C@H]3CCCCO3)n2CC(C)(C)C[NH+](C)C)Oc2ccccc21 ZINC001313878287 1071444665 /nfs/dbraw/zinc/44/46/65/1071444665.db2.gz XGKSSHACNFRJSS-NZQKXSOJSA-N 1 0 470.662 3.831 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001314966026 1071448359 /nfs/dbraw/zinc/44/83/59/1071448359.db2.gz YFDOOYPQOXYFHS-KELGSRBJSA-N 1 0 496.700 3.852 20 0 JHADRO CC[NH+]1CCC(CCn2c(CC(C)(C)C)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001313880209 1071451923 /nfs/dbraw/zinc/45/19/23/1071451923.db2.gz QSPGPZLUPZOHDK-OAQYLSRUSA-N 1 0 492.709 3.719 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc([C@H]2CCOC2)n1CCC1CC[NH+](CC)CC1 ZINC001313880248 1071451929 /nfs/dbraw/zinc/45/19/29/1071451929.db2.gz RPUVZUZZAGYHLD-BJKOFHAPSA-N 1 0 455.647 3.772 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@H+](C)C(C)C)C1 ZINC001314966292 1071448908 /nfs/dbraw/zinc/44/89/08/1071448908.db2.gz PMDOJXWKRJRHOW-NRFANRHFSA-N 1 0 497.869 3.664 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(OC)cc3OC)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001313879812 1071451145 /nfs/dbraw/zinc/45/11/45/1071451145.db2.gz CFGULRPMRSWGMI-LJQANCHMSA-N 1 0 457.619 3.700 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3OC)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001313879979 1071451191 /nfs/dbraw/zinc/45/11/91/1071451191.db2.gz DUMVYYZIPHFDPS-UHFFFAOYSA-N 1 0 471.646 3.911 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001313879728 1071451204 /nfs/dbraw/zinc/45/12/04/1071451204.db2.gz AUSJARMIOSDHKQ-FQEVSTJZSA-N 1 0 495.093 3.519 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3CCCOC3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001313879902 1071451250 /nfs/dbraw/zinc/45/12/50/1071451250.db2.gz MIFMMXIMQRQCCW-KSEOMHKRSA-N 1 0 490.693 3.644 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314970790 1071457577 /nfs/dbraw/zinc/45/75/77/1071457577.db2.gz LDZQAMNAEHCWGQ-LYZGTLIUSA-N 1 0 496.700 3.545 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccc(C)cc3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001313881722 1071456010 /nfs/dbraw/zinc/45/60/10/1071456010.db2.gz OCMMFOGFBFERON-UHFFFAOYSA-N 1 0 465.646 3.966 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccccc3OC)nnc2N2CCOC(C)(C)C2)CC1 ZINC001313881692 1071456070 /nfs/dbraw/zinc/45/60/70/1071456070.db2.gz NBNBNLJEUFCPMS-UHFFFAOYSA-N 1 0 457.619 3.603 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3OC)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001314974147 1071463293 /nfs/dbraw/zinc/46/32/93/1071463293.db2.gz OKZCOFIFUINLBX-HHHXNRCGSA-N 1 0 482.673 3.674 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313884083 1071463452 /nfs/dbraw/zinc/46/34/52/1071463452.db2.gz KUIHSHLQWDZRGR-RBSFLKMASA-N 1 0 458.554 3.767 20 0 JHADRO 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CC[N@@H+]1CC[C@@H](Cn2c(N(C)Cc3cc(Cl)ccc3OC)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001313889592 1071480667 /nfs/dbraw/zinc/48/06/67/1071480667.db2.gz IKRSVHRNZGQCSB-KBMIEXCESA-N 1 0 492.064 3.959 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(N(C)Cc3cc(Cl)ccc3OC)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001313889595 1071480771 /nfs/dbraw/zinc/48/07/71/1071480771.db2.gz IKRSVHRNZGQCSB-UQBPGWFLSA-N 1 0 492.064 3.959 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2C[C@@H](OC)C(C)(C)C2)C1 ZINC001313888586 1071477655 /nfs/dbraw/zinc/47/76/55/1071477655.db2.gz CBDGIOPRHOSZBU-WIYYLYMNSA-N 1 0 459.660 3.782 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)COC)C[C@H]1C ZINC001313888603 1071477817 /nfs/dbraw/zinc/47/78/17/1071477817.db2.gz WVVHUQOLTGQUBF-AABGKKOBSA-N 1 0 478.682 3.942 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C1 ZINC001313889575 1071480872 /nfs/dbraw/zinc/48/08/72/1071480872.db2.gz IILGHWJDEPBPAW-DHIUTWEWSA-N 1 0 496.700 3.947 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(NC(C)=O)nc2)C[C@H]1C ZINC001313889337 1071479955 /nfs/dbraw/zinc/47/99/55/1071479955.db2.gz XPQOUKZOTFAEAU-NNTZPNAXSA-N 1 0 483.661 3.517 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001313889916 1071481498 /nfs/dbraw/zinc/48/14/98/1071481498.db2.gz KBBSJNXPGWFBFK-QFIPXVFZSA-N 1 0 482.673 3.591 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001314980871 1071483420 /nfs/dbraw/zinc/48/34/20/1071483420.db2.gz WTHHFEOXIDRIJF-REWPJTCUSA-N 1 0 482.673 3.679 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001314980865 1071483515 /nfs/dbraw/zinc/48/35/15/1071483515.db2.gz WTHHFEOXIDRIJF-NZQKXSOJSA-N 1 0 482.673 3.679 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001313890997 1071483769 /nfs/dbraw/zinc/48/37/69/1071483769.db2.gz RVJFYIQKQFSEEH-IBGZPJMESA-N 1 0 464.630 3.608 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001313891120 1071484782 /nfs/dbraw/zinc/48/47/82/1071484782.db2.gz SJKXKKNEWDFWCD-MRXNPFEDSA-N 1 0 483.510 3.686 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001313891533 1071485285 /nfs/dbraw/zinc/48/52/85/1071485285.db2.gz XCNDOWTWTAWIDA-MJGOQNOKSA-N 1 0 477.078 3.623 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCn1cccn1 ZINC001313892102 1071486319 /nfs/dbraw/zinc/48/63/19/1071486319.db2.gz BQOHZWKFOHPUCS-QGZVFWFLSA-N 1 0 476.398 3.664 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313892833 1071488731 /nfs/dbraw/zinc/48/87/31/1071488731.db2.gz JCVFTURSRZJFSR-HBMCJLEFSA-N 1 0 475.609 3.672 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313893131 1071489359 /nfs/dbraw/zinc/48/93/59/1071489359.db2.gz KVSCFLMBXNMYNS-SYYKKAFVSA-N 1 0 484.645 3.787 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313893368 1071490169 /nfs/dbraw/zinc/49/01/69/1071490169.db2.gz MRTLMHLZYRUKGK-IEBWSBKVSA-N 1 0 496.578 3.519 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CC3CC3)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1 ZINC001313895039 1071495683 /nfs/dbraw/zinc/49/56/83/1071495683.db2.gz KSJCWALEXDBDIU-SESVDKBCSA-N 1 0 460.667 3.702 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001313896074 1071498689 /nfs/dbraw/zinc/49/86/89/1071498689.db2.gz CSADNLCQMNKQSL-RTBURBONSA-N 1 0 495.441 3.810 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001313897430 1071502891 /nfs/dbraw/zinc/50/28/91/1071502891.db2.gz JLDBIORTCCFJBG-YADHBBJMSA-N 1 0 468.646 3.883 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C ZINC001313897436 1071502901 /nfs/dbraw/zinc/50/29/01/1071502901.db2.gz JMSJXHYMJTWYKM-HXUWFJFHSA-N 1 0 477.053 3.597 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](COC)C1 ZINC001313896644 1071500190 /nfs/dbraw/zinc/50/01/90/1071500190.db2.gz PNFZCSLWFUKPIO-SJORKVTESA-N 1 0 498.853 3.697 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(SC)c(OC)c1 ZINC001313898139 1071504897 /nfs/dbraw/zinc/50/48/97/1071504897.db2.gz ONRXYHJYHPGUIL-IBGZPJMESA-N 1 0 495.653 3.777 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1 ZINC001313898313 1071505080 /nfs/dbraw/zinc/50/50/80/1071505080.db2.gz QJGMCKJKRIXTBI-IVAOSVALSA-N 1 0 476.666 3.601 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001314991224 1071506695 /nfs/dbraw/zinc/50/66/95/1071506695.db2.gz SRDNWCAJXMBAJP-RTBURBONSA-N 1 0 489.064 3.692 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001313899213 1071507148 /nfs/dbraw/zinc/50/71/48/1071507148.db2.gz HBAQPQRSQKISFO-HSZRJFAPSA-N 1 0 497.688 3.832 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Nc3cnn(C)c3)nnc2-c2cc(OC)ccc2Br)C1 ZINC001313900067 1071508982 /nfs/dbraw/zinc/50/89/82/1071508982.db2.gz ZACPMQNYAFCMGX-AWEZNQCLSA-N 1 0 460.380 3.535 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001313899261 1071507871 /nfs/dbraw/zinc/50/78/71/1071507871.db2.gz IKHFSQHTODGJOB-GEFUHLBYSA-N 1 0 457.669 3.789 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](CCOC)C2)C1 ZINC001313899637 1071508057 /nfs/dbraw/zinc/50/80/57/1071508057.db2.gz WUIJELMEIDYZCW-ACRUOGEOSA-N 1 0 476.666 3.555 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001313900965 1071510078 /nfs/dbraw/zinc/51/00/78/1071510078.db2.gz TTWZYTJTIYRBBT-HSZRJFAPSA-N 1 0 468.690 3.990 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313900780 1071510218 /nfs/dbraw/zinc/51/02/18/1071510218.db2.gz PHCCMJTVXTUJPN-FYYLOGMGSA-N 1 0 487.092 3.995 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314993585 1071510438 /nfs/dbraw/zinc/51/04/38/1071510438.db2.gz IQZQFAVAFVDIKG-VXNXHJTFSA-N 1 0 496.700 3.886 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001313903137 1071514678 /nfs/dbraw/zinc/51/46/78/1071514678.db2.gz MGKSWCXCPCEPMI-RDPSFJRHSA-N 1 0 495.590 3.914 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313902112 1071513221 /nfs/dbraw/zinc/51/32/21/1071513221.db2.gz JKNQQAFTRGPPIJ-VQTJNVASSA-N 1 0 484.645 3.884 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)C[C@@H]1CCCOC1 ZINC001313902345 1071513579 /nfs/dbraw/zinc/51/35/79/1071513579.db2.gz GFKYCAJGGRWZSV-VQTJNVASSA-N 1 0 459.660 3.926 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001313902670 1071514078 /nfs/dbraw/zinc/51/40/78/1071514078.db2.gz IEGPMZIGVQHTND-SUMDDJOVSA-N 1 0 466.399 3.898 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313904886 1071519978 /nfs/dbraw/zinc/51/99/78/1071519978.db2.gz VQBMNNZCDOAANH-HXUWFJFHSA-N 1 0 471.650 3.604 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001313904726 1071520043 /nfs/dbraw/zinc/52/00/43/1071520043.db2.gz LGTXXLQDSLVDHV-NHCUHLMSSA-N 1 0 457.598 3.815 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1C ZINC001313903514 1071515518 /nfs/dbraw/zinc/51/55/18/1071515518.db2.gz NAIKWOIDLKAMSH-FQEVSTJZSA-N 1 0 452.628 3.699 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCCCO)C1CC1 ZINC001313903366 1071515999 /nfs/dbraw/zinc/51/59/99/1071515999.db2.gz AXYSUBRKKABQGJ-SFHVURJKSA-N 1 0 465.440 3.651 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2cccc(Br)c2C1 ZINC001313904405 1071517209 /nfs/dbraw/zinc/51/72/09/1071517209.db2.gz HBGNMICGIRKHIZ-GOSISDBHSA-N 1 0 489.462 3.616 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 ZINC001313904446 1071518210 /nfs/dbraw/zinc/51/82/10/1071518210.db2.gz HVPGOWWAJXPJKZ-HXUWFJFHSA-N 1 0 486.686 3.755 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313904537 1071518272 /nfs/dbraw/zinc/51/82/72/1071518272.db2.gz QQNQBJPQBRZSRS-MSOLQXFVSA-N 1 0 484.542 3.553 20 0 JHADRO CNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001314998631 1071518572 /nfs/dbraw/zinc/51/85/72/1071518572.db2.gz LWZBBGPRZSFLDN-QFIPXVFZSA-N 1 0 452.647 3.684 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001315001116 1071523964 /nfs/dbraw/zinc/52/39/64/1071523964.db2.gz CNIWFACHLJIYAG-HSZRJFAPSA-N 1 0 466.674 3.536 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001313906895 1071525969 /nfs/dbraw/zinc/52/59/69/1071525969.db2.gz SQAZGBYVXAGQFO-PMOQBDJRSA-N 1 0 468.646 3.883 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001313905277 1071521439 /nfs/dbraw/zinc/52/14/39/1071521439.db2.gz OUBDDINZFNYANU-RBUKOAKNSA-N 1 0 495.466 3.542 20 0 JHADRO CNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC[NH+]2CCCC2)CC1 ZINC001315000905 1071523385 /nfs/dbraw/zinc/52/33/85/1071523385.db2.gz UIJGLUHZJLCIEI-SFHVURJKSA-N 1 0 475.037 3.520 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)Cc1cc(C)on1 ZINC001313908789 1071530931 /nfs/dbraw/zinc/53/09/31/1071530931.db2.gz KHYCHPUWDQSPEH-JOCHJYFZSA-N 1 0 452.603 3.879 20 0 JHADRO CNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001315003022 1071528724 /nfs/dbraw/zinc/52/87/24/1071528724.db2.gz NAPVEQBLZYZABI-UHFFFAOYSA-N 1 0 482.673 3.701 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313908203 1071529621 /nfs/dbraw/zinc/52/96/21/1071529621.db2.gz BHPCVOYWUFNPRQ-GOSISDBHSA-N 1 0 451.619 3.652 20 0 JHADRO CNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001315003889 1071530487 /nfs/dbraw/zinc/53/04/87/1071530487.db2.gz GDKKXGZEZRNNFQ-OAQYLSRUSA-N 1 0 466.655 3.504 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1ncnn1CC(F)F ZINC001313909628 1071532395 /nfs/dbraw/zinc/53/23/95/1071532395.db2.gz RTMGWJOYQQMWEJ-MRXNPFEDSA-N 1 0 478.979 3.966 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313909355 1071532602 /nfs/dbraw/zinc/53/26/02/1071532602.db2.gz OLCSTLUVVXRKOO-DHIUTWEWSA-N 1 0 497.688 3.832 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001313910691 1071536537 /nfs/dbraw/zinc/53/65/37/1071536537.db2.gz FZCFSSHWCQXTOK-HZPDHXFCSA-N 1 0 452.397 3.648 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC001315015304 1071535660 /nfs/dbraw/zinc/53/56/60/1071535660.db2.gz JRNRKMGLAODEPJ-HSZRJFAPSA-N 1 0 482.673 3.774 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001313910471 1071535796 /nfs/dbraw/zinc/53/57/96/1071535796.db2.gz KNMPASLPEILAKO-GOSISDBHSA-N 1 0 457.529 3.847 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001313910472 1071536012 /nfs/dbraw/zinc/53/60/12/1071536012.db2.gz KNMPASLPEILAKO-SFHVURJKSA-N 1 0 457.529 3.847 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 ZINC001313911207 1071537703 /nfs/dbraw/zinc/53/77/03/1071537703.db2.gz ACXQKGXXPAJRQQ-IBGZPJMESA-N 1 0 477.078 3.800 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1=O ZINC001313912562 1071540730 /nfs/dbraw/zinc/54/07/30/1071540730.db2.gz CBBFGJWJYWVZEG-OAQYLSRUSA-N 1 0 477.028 3.917 20 0 JHADRO CCN1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1=O ZINC001313913135 1071542494 /nfs/dbraw/zinc/54/24/94/1071542494.db2.gz IZXJUXFOLRANAT-TZIWHRDSSA-N 1 0 474.625 3.592 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313911108 1071536954 /nfs/dbraw/zinc/53/69/54/1071536954.db2.gz HNOVPCCEPMKGKB-YADHBBJMSA-N 1 0 470.637 3.623 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313914370 1071546873 /nfs/dbraw/zinc/54/68/73/1071546873.db2.gz MSMUXGLMLNDWCQ-QFQXNSOFSA-N 1 0 477.694 3.977 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCc1cnccn1 ZINC001313914439 1071547559 /nfs/dbraw/zinc/54/75/59/1071547559.db2.gz NBQVWFVTJSBBOZ-QHCPKHFHSA-N 1 0 463.630 3.817 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001315021484 1071542628 /nfs/dbraw/zinc/54/26/28/1071542628.db2.gz OGNBXCVEFPIMQF-JOCHJYFZSA-N 1 0 482.032 3.649 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](c2ccco2)[NH+](C)C)CC1=O ZINC001313913228 1071542849 /nfs/dbraw/zinc/54/28/49/1071542849.db2.gz KPBKECHRFSWAHC-LJQANCHMSA-N 1 0 474.968 3.692 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313913369 1071542917 /nfs/dbraw/zinc/54/29/17/1071542917.db2.gz XUNAGAYIMACXLU-VQTJNVASSA-N 1 0 469.634 3.708 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001315021662 1071543122 /nfs/dbraw/zinc/54/31/22/1071543122.db2.gz BUHULWXSMCAQOM-QFIPXVFZSA-N 1 0 456.610 3.730 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccc3Cl)n2CCCCC[NH+]2CCCC2)CC1=O ZINC001313915746 1071550839 /nfs/dbraw/zinc/55/08/39/1071550839.db2.gz KKBVRSMWAPVYER-UHFFFAOYSA-N 1 0 459.038 3.923 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2ccco2)[NH+](C)C)CC1=O ZINC001313915789 1071551251 /nfs/dbraw/zinc/55/12/51/1071551251.db2.gz LNVOFFNHQCVNLU-LJQANCHMSA-N 1 0 456.978 3.553 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001315026817 1071552908 /nfs/dbraw/zinc/55/29/08/1071552908.db2.gz WALKDVZMGHZMNU-FQEVSTJZSA-N 1 0 491.478 3.790 20 0 JHADRO CCN1CCCN(c2nnc(C(C)C)n2CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1=O ZINC001313918161 1071555848 /nfs/dbraw/zinc/55/58/48/1071555848.db2.gz YRLHDETXLVLQKY-GGAORHGYSA-N 1 0 452.647 3.761 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313919382 1071556818 /nfs/dbraw/zinc/55/68/18/1071556818.db2.gz AKFCNJMGTPOGQG-RTBURBONSA-N 1 0 492.510 3.699 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001313919815 1071558158 /nfs/dbraw/zinc/55/81/58/1071558158.db2.gz GLRSFSOYOHZERL-SFHVURJKSA-N 1 0 468.602 3.658 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001315031093 1071559837 /nfs/dbraw/zinc/55/98/37/1071559837.db2.gz BBIUGYYPDOPHOP-NRFANRHFSA-N 1 0 477.638 3.738 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CCC2)CC1 ZINC001313922578 1071565199 /nfs/dbraw/zinc/56/51/99/1071565199.db2.gz WZOXKWFHZYHITI-INIZCTEOSA-N 1 0 479.442 3.861 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001313921321 1071561176 /nfs/dbraw/zinc/56/11/76/1071561176.db2.gz PQKHNOHGFLDFJH-OAQYLSRUSA-N 1 0 492.716 3.947 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCC[NH+]1CCC(C)CC1 ZINC001315033968 1071565401 /nfs/dbraw/zinc/56/54/01/1071565401.db2.gz WOULITWDVWUVEZ-UHFFFAOYSA-N 1 0 465.017 3.822 20 0 JHADRO CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001313922917 1071565646 /nfs/dbraw/zinc/56/56/46/1071565646.db2.gz YOAKYVJXOUOZIW-HNNXBMFYSA-N 1 0 469.859 3.843 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313923906 1071568777 /nfs/dbraw/zinc/56/87/77/1071568777.db2.gz APPACAGMXZUUBO-CEXWTWQISA-N 1 0 464.580 3.838 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CCOc2ccccc2F)CC1 ZINC001313926074 1071575490 /nfs/dbraw/zinc/57/54/90/1071575490.db2.gz BWKQDBVTQCBOMU-HXUWFJFHSA-N 1 0 460.642 3.547 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CCC3)nnc2N(C)CCOc2ccccc2Cl)CC1 ZINC001313926112 1071575507 /nfs/dbraw/zinc/57/55/07/1071575507.db2.gz CIVNXMSALGKODA-LJQANCHMSA-N 1 0 461.054 3.740 20 0 JHADRO CCN1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1=O ZINC001313924719 1071571530 /nfs/dbraw/zinc/57/15/30/1071571530.db2.gz OEDFWXHIHWTRRX-FQEVSTJZSA-N 1 0 489.064 3.690 20 0 JHADRO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCC(F)F)CC1 ZINC001313925456 1071573978 /nfs/dbraw/zinc/57/39/78/1071573978.db2.gz QYVTYPRHSHQJND-SFHVURJKSA-N 1 0 459.589 3.554 20 0 JHADRO CNC(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001315042046 1071574091 /nfs/dbraw/zinc/57/40/91/1071574091.db2.gz CWRCSOWIXQMUMX-QZTJIDSGSA-N 1 0 475.037 3.518 20 0 JHADRO CNC(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001315042291 1071574229 /nfs/dbraw/zinc/57/42/29/1071574229.db2.gz FYDCCIYAAOQZKF-UHFFFAOYSA-N 1 0 489.462 3.544 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001313925749 1071574635 /nfs/dbraw/zinc/57/46/35/1071574635.db2.gz AEMCHNANXFDXCJ-FQEVSTJZSA-N 1 0 472.678 3.546 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC2CCOCC2)CC1 ZINC001313925961 1071574731 /nfs/dbraw/zinc/57/47/31/1071574731.db2.gz VRTBLQVSFWVGQZ-SFHVURJKSA-N 1 0 479.044 3.626 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001313925826 1071574874 /nfs/dbraw/zinc/57/48/74/1071574874.db2.gz BBBKQQFSABBHFX-VWNXMTODSA-N 1 0 452.691 3.962 20 0 JHADRO CNC(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001315044264 1071576230 /nfs/dbraw/zinc/57/62/30/1071576230.db2.gz DPUPQERMOYOIKG-IBGZPJMESA-N 1 0 489.064 3.836 20 0 JHADRO CNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001315045813 1071577115 /nfs/dbraw/zinc/57/71/15/1071577115.db2.gz UTTFWVXPARMXIQ-FQEVSTJZSA-N 1 0 468.646 3.571 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313926758 1071577642 /nfs/dbraw/zinc/57/76/42/1071577642.db2.gz XVIVUQLEUBRZPC-LJQANCHMSA-N 1 0 492.615 3.612 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N(C)CC2CCOCC2)CC1 ZINC001313926696 1071577696 /nfs/dbraw/zinc/57/76/96/1071577696.db2.gz FQNUDFBWXOPHDJ-QFIPXVFZSA-N 1 0 486.730 3.768 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313927761 1071581152 /nfs/dbraw/zinc/58/11/52/1071581152.db2.gz LUKPAQQIJKYCKG-UKILVPOCSA-N 1 0 452.691 3.962 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001313926821 1071578153 /nfs/dbraw/zinc/57/81/53/1071578153.db2.gz YOSIDNOVBFUKMF-INIZCTEOSA-N 1 0 476.000 3.696 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313927293 1071578180 /nfs/dbraw/zinc/57/81/80/1071578180.db2.gz IJGXIJZPTHEPEP-JOCHJYFZSA-N 1 0 468.690 3.597 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313927256 1071579381 /nfs/dbraw/zinc/57/93/81/1071579381.db2.gz JPXALMLFEXKFES-IBGZPJMESA-N 1 0 494.656 3.841 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NC(C)C)C[C@H]1C ZINC001313928295 1071583362 /nfs/dbraw/zinc/58/33/62/1071583362.db2.gz ACUYTIPKMSSCJH-MOPGFXCFSA-N 1 0 477.053 3.743 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC2([NH+](C)C)CCC2)C1 ZINC001315074629 1071586572 /nfs/dbraw/zinc/58/65/72/1071586572.db2.gz QXMRGESQRBPYEI-OAHLLOKOSA-N 1 0 494.409 3.720 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313928480 1071583772 /nfs/dbraw/zinc/58/37/72/1071583772.db2.gz PIGKRSMLNBMHNV-TZIWHRDSSA-N 1 0 459.708 3.532 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001315070280 1071585698 /nfs/dbraw/zinc/58/56/98/1071585698.db2.gz DNDXFVSATQCZEK-OAQYLSRUSA-N 1 0 496.656 3.801 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCC(=O)NC2CC2)C[C@@H]1C ZINC001313929788 1071587418 /nfs/dbraw/zinc/58/74/18/1071587418.db2.gz JNZVFVDLWMGEIO-FPOVZHCZSA-N 1 0 468.646 3.624 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(OC)CCCCC2)C[C@H]1C ZINC001313930274 1071588830 /nfs/dbraw/zinc/58/88/30/1071588830.db2.gz BABWSQYUOMWAGI-QGZVFWFLSA-N 1 0 479.467 3.926 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC=C(Br)C2)CC1 ZINC001313930170 1071588917 /nfs/dbraw/zinc/58/89/17/1071588917.db2.gz VJSGIAJDJFFFAT-GOSISDBHSA-N 1 0 491.453 3.523 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001313931529 1071592743 /nfs/dbraw/zinc/59/27/43/1071592743.db2.gz USXRZRKSGSCHOY-AVRDEDQJSA-N 1 0 479.044 3.975 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)(C)C)nnc3N(C)Cc3cnc(C)s3)cn2)CC1 ZINC001313933339 1071597632 /nfs/dbraw/zinc/59/76/32/1071597632.db2.gz KLHCFJQBNPWJCU-UHFFFAOYSA-N 1 0 482.702 3.853 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001313931905 1071593967 /nfs/dbraw/zinc/59/39/67/1071593967.db2.gz SWFZXSOZXGLORX-MOPGFXCFSA-N 1 0 477.650 4.000 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)CCC(C)C)C[C@H]1C ZINC001313932280 1071594729 /nfs/dbraw/zinc/59/47/29/1071594729.db2.gz HUUIMPOSDRZXEH-VGOFRKELSA-N 1 0 481.483 3.764 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCC[C@@H]2C)C[C@H]1C ZINC001313932651 1071595401 /nfs/dbraw/zinc/59/54/01/1071595401.db2.gz IOGLMEFRSWBYQS-WJONJSRFSA-N 1 0 480.426 3.928 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(C)CCCS2)C[C@@H]1C ZINC001313933614 1071598392 /nfs/dbraw/zinc/59/83/92/1071598392.db2.gz LTCOVEDPAHSZIR-MGPUTAFESA-N 1 0 467.481 3.862 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(N(CCOC)[C@@H]4CC[C@@H](C)C4)nnc3C(C)(C)C)cn2)CC1 ZINC001313934920 1071603508 /nfs/dbraw/zinc/60/35/08/1071603508.db2.gz VESBPTFCHREBTD-FYYLOGMGSA-N 1 0 483.705 3.802 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[C@H]2CCOC2)C[C@H]1C ZINC001313934908 1071603540 /nfs/dbraw/zinc/60/35/40/1071603540.db2.gz DCNSXEYYTHBFEZ-SJORKVTESA-N 1 0 478.435 3.673 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCC(F)(F)CC2)C[C@H]1C ZINC001313934768 1071603609 /nfs/dbraw/zinc/60/36/09/1071603609.db2.gz VOXRKMXFFKFPGF-QGZVFWFLSA-N 1 0 481.613 3.705 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC2(F)CCC2)C[C@@H]1C ZINC001313934312 1071601670 /nfs/dbraw/zinc/60/16/70/1071601670.db2.gz RGFJTKIVPGBKAB-HNNXBMFYSA-N 1 0 453.404 3.859 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCOC[C@@H]2C)C[C@H]1C ZINC001313934506 1071603060 /nfs/dbraw/zinc/60/30/60/1071603060.db2.gz ASECRUFXBYQIQB-VWPQPMDRSA-N 1 0 471.646 3.944 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001313934951 1071604378 /nfs/dbraw/zinc/60/43/78/1071604378.db2.gz DUQCUXUAYPAKLI-HNNXBMFYSA-N 1 0 495.937 3.908 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001313937230 1071610225 /nfs/dbraw/zinc/61/02/25/1071610225.db2.gz DJNIJQQIQQMFTJ-QGZVFWFLSA-N 1 0 456.566 3.966 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCc2ccccn2)C[C@@H]1C ZINC001313938254 1071611407 /nfs/dbraw/zinc/61/14/07/1071611407.db2.gz YFKBDBLYXHKCQM-KRWDZBQOSA-N 1 0 485.430 3.884 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313938684 1071612126 /nfs/dbraw/zinc/61/21/26/1071612126.db2.gz WHHAZLARMCEZEL-QFBILLFUSA-N 1 0 464.010 3.769 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCCCOC)cc2)C[C@@H]1C ZINC001313938264 1071612190 /nfs/dbraw/zinc/61/21/90/1071612190.db2.gz YIYOCEJMSNOKAU-IBGZPJMESA-N 1 0 485.032 3.988 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(SC)CC2)C[C@H]1C ZINC001313938920 1071612606 /nfs/dbraw/zinc/61/26/06/1071612606.db2.gz YJQFCDIWGIMWQA-GOSISDBHSA-N 1 0 478.707 3.819 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2Br)C[C@@H]1C ZINC001313940834 1071615657 /nfs/dbraw/zinc/61/56/57/1071615657.db2.gz PHFOJMKARSTKBK-HNNXBMFYSA-N 1 0 475.460 3.975 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC3CC3)n2CCCNc2ccc(C(F)(F)F)cn2)C[C@H]1C ZINC001313941471 1071617388 /nfs/dbraw/zinc/61/73/88/1071617388.db2.gz UYECWKPWGUJSES-MRXNPFEDSA-N 1 0 451.541 3.677 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC001313941503 1071617656 /nfs/dbraw/zinc/61/76/56/1071617656.db2.gz VSMHOEHOBWFEJM-OAHLLOKOSA-N 1 0 461.035 3.875 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC2(OC)CCC2)C[C@H]1C ZINC001313941850 1071618187 /nfs/dbraw/zinc/61/81/87/1071618187.db2.gz AMNQDNUPAHLNPB-AQNXPRMDSA-N 1 0 476.666 3.538 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(C(C)(C)C)n3C[C@H](c3ccc(F)cc3)[NH+](C)C)CC2)C1=O ZINC001313941939 1071618226 /nfs/dbraw/zinc/61/82/26/1071618226.db2.gz BOIFXZNMXHSQSH-JOCHJYFZSA-N 1 0 485.652 3.744 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(O)CCCC2)C[C@@H]1C ZINC001313943108 1071621961 /nfs/dbraw/zinc/62/19/61/1071621961.db2.gz PSYXFWQIPHPHSS-FQEVSTJZSA-N 1 0 455.647 3.990 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCSCC(C)C)C[C@H]1C ZINC001313943198 1071621972 /nfs/dbraw/zinc/62/19/72/1071621972.db2.gz QEELYUBOIAHMCI-AQNXPRMDSA-N 1 0 480.723 3.968 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCc2c[nH]nc2C)C[C@@H]1C ZINC001313943038 1071621318 /nfs/dbraw/zinc/62/13/18/1071621318.db2.gz OUEXXXLKLSJHSC-FQEVSTJZSA-N 1 0 451.619 3.669 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(-c4ccc(OC)cc4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)C1=O ZINC001313945362 1071626288 /nfs/dbraw/zinc/62/62/88/1071626288.db2.gz NOVSBNITHZDZCA-HSZRJFAPSA-N 1 0 497.688 3.656 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(-c4cccc(OC)c4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)C1=O ZINC001313945903 1071627314 /nfs/dbraw/zinc/62/73/14/1071627314.db2.gz XJYVQRNEVMAKQR-HSZRJFAPSA-N 1 0 497.688 3.656 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCCC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC001313943471 1071623112 /nfs/dbraw/zinc/62/31/12/1071623112.db2.gz STGSUYWAMVZXJF-HTAPYJJXSA-N 1 0 451.537 3.916 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CSCCS2)C[C@@H]1C ZINC001313943625 1071623400 /nfs/dbraw/zinc/62/34/00/1071623400.db2.gz UJTZSUYNCROEDX-FPOVZHCZSA-N 1 0 461.701 3.853 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CCCC(C)C)C2)CC1 ZINC001313943872 1071623731 /nfs/dbraw/zinc/62/37/31/1071623731.db2.gz WSVGGOYHILLZNW-XMMPIXPASA-N 1 0 481.689 3.800 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)C)n3C[C@@H](OC(C)C)c3ccccc3OC)C2)CC1 ZINC001313944256 1071624490 /nfs/dbraw/zinc/62/44/90/1071624490.db2.gz ZBJCAMXXXJHNCO-WIOPSUGQSA-N 1 0 484.689 3.793 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(C)o4)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313944927 1071625514 /nfs/dbraw/zinc/62/55/14/1071625514.db2.gz JRCDWOLXQAZITF-CTNGQTDRSA-N 1 0 460.692 3.840 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(F)cc4Br)n3CC(C)C)C2)CC1 ZINC001313945473 1071626034 /nfs/dbraw/zinc/62/60/34/1071626034.db2.gz POBCCOKCOOENKS-SFHVURJKSA-N 1 0 479.442 3.719 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@@H](C)COC)C2)CC1 ZINC001313945322 1071626186 /nfs/dbraw/zinc/62/61/86/1071626186.db2.gz MZNMTRXKARQDFP-QPPBQGQZSA-N 1 0 468.690 3.741 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313946688 1071629050 /nfs/dbraw/zinc/62/90/50/1071629050.db2.gz TYKAAXFHKLEUKT-PMACEKPBSA-N 1 0 486.661 3.663 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(F)(F)Br)C[C@H]1C ZINC001313947508 1071632240 /nfs/dbraw/zinc/63/22/40/1071632240.db2.gz HVTFILUGUPQJNF-RBSFLKMASA-N 1 0 464.399 3.715 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@H]2OC)C[C@H]1C ZINC001313947502 1071632334 /nfs/dbraw/zinc/63/23/34/1071632334.db2.gz HVMSQDXDZXONNM-HSALFYBXSA-N 1 0 459.660 3.925 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCCSC)C2)CC1 ZINC001313947853 1071633042 /nfs/dbraw/zinc/63/30/42/1071633042.db2.gz CXZPKAIKWKSOOZ-YPAWHYETSA-N 1 0 478.751 3.556 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)N(C)c3ccccc3)C2)CC1 ZINC001313948488 1071634138 /nfs/dbraw/zinc/63/41/38/1071634138.db2.gz QVTICFGOPMLSEB-UPVQGACJSA-N 1 0 467.706 3.608 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313949103 1071635252 /nfs/dbraw/zinc/63/52/52/1071635252.db2.gz HQLGZCFDTFUJAJ-SLFFLAALSA-N 1 0 476.616 3.912 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)CC1 ZINC001313949432 1071636470 /nfs/dbraw/zinc/63/64/70/1071636470.db2.gz ILURVCJPLDEUFJ-GOSISDBHSA-N 1 0 481.472 3.752 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccc(Cl)cc4)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001313949672 1071637003 /nfs/dbraw/zinc/63/70/03/1071637003.db2.gz NRKCOVFGENWZNC-XZOQPEGZSA-N 1 0 489.108 3.800 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313950424 1071638237 /nfs/dbraw/zinc/63/82/37/1071638237.db2.gz PGWOFQXUAWMFNX-CBPXPLCBSA-N 1 0 472.653 3.923 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001313951221 1071641231 /nfs/dbraw/zinc/64/12/31/1071641231.db2.gz RMRWJTSLOVLBOR-PCCBWWKXSA-N 1 0 490.693 3.773 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC[C@H](c4noc(C(C)C)n4)C3)nnc2C(C)(C)C)CC1 ZINC001313952190 1071645318 /nfs/dbraw/zinc/64/53/18/1071645318.db2.gz OPHXNNRUXKJVEI-RTWAWAEBSA-N 1 0 486.709 3.740 20 0 JHADRO CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001313951429 1071642243 /nfs/dbraw/zinc/64/22/43/1071642243.db2.gz UEFFYNVCVGYJAJ-GOSISDBHSA-N 1 0 493.494 3.836 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001313951662 1071643034 /nfs/dbraw/zinc/64/30/34/1071643034.db2.gz ATYMSHGLTRXPFH-FGZHOGPDSA-N 1 0 458.695 3.628 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCS[C@@H](C)C2)CC1 ZINC001313952775 1071646616 /nfs/dbraw/zinc/64/66/16/1071646616.db2.gz CFMGFLYJPKVWPK-IBGZPJMESA-N 1 0 493.121 3.967 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2CCN(c3ccc(C)c(C)c3)CC2)CC1 ZINC001313953058 1071646986 /nfs/dbraw/zinc/64/69/86/1071646986.db2.gz AHFWTMMECJZVOP-UHFFFAOYSA-N 1 0 481.733 3.838 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001313953503 1071647845 /nfs/dbraw/zinc/64/78/45/1071647845.db2.gz HLSLHGCKVHJKLL-VXKWHMMOSA-N 1 0 454.663 3.996 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC(COC)CC2)CC1 ZINC001313954024 1071650050 /nfs/dbraw/zinc/65/00/50/1071650050.db2.gz MWFWRAUWNDICDM-UHFFFAOYSA-N 1 0 475.081 3.879 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001313953979 1071650095 /nfs/dbraw/zinc/65/00/95/1071650095.db2.gz LOUXWUXNIMXJMX-QHCPKHFHSA-N 1 0 454.663 3.534 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(CC(C)C)C(C)C)CC1 ZINC001313954311 1071651277 /nfs/dbraw/zinc/65/12/77/1071651277.db2.gz NTXYUGFCYPPXCW-NRFANRHFSA-N 1 0 494.688 3.738 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313954119 1071650574 /nfs/dbraw/zinc/65/05/74/1071650574.db2.gz APPWQDLYRAEQAU-VXKWHMMOSA-N 1 0 479.648 3.874 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC001313954129 1071650705 /nfs/dbraw/zinc/65/07/05/1071650705.db2.gz OBTQAUCXBWMOIU-PMACEKPBSA-N 1 0 476.616 3.675 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313954194 1071650717 /nfs/dbraw/zinc/65/07/17/1071650717.db2.gz AXDKMLRXQSXUHU-HXUWFJFHSA-N 1 0 474.694 3.613 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)nc3)nnc2N(C)OC2CCCC2)CC1 ZINC001313954483 1071651798 /nfs/dbraw/zinc/65/17/98/1071651798.db2.gz OTJMMSMBVOCKMY-UHFFFAOYSA-N 1 0 462.042 3.722 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313954826 1071652986 /nfs/dbraw/zinc/65/29/86/1071652986.db2.gz QCULZOITKOAOTC-LVXARBLLSA-N 1 0 460.711 3.851 20 0 JHADRO CCN1CC[NH+](CCCCn2c(COc3cc(C)ccc3C)nnc2N2CCS[C@H](C)C2)CC1 ZINC001313954894 1071653696 /nfs/dbraw/zinc/65/36/96/1071653696.db2.gz WPBQNKGKCRMQDO-HSZRJFAPSA-N 1 0 486.730 3.833 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cccnc3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313955098 1071654180 /nfs/dbraw/zinc/65/41/80/1071654180.db2.gz SLCVSYDEXNOFCF-UHFFFAOYSA-N 1 0 453.660 3.764 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(COC)CC2)CC1 ZINC001313955527 1071655383 /nfs/dbraw/zinc/65/53/83/1071655383.db2.gz SKFCVEWTRMHRAF-FQEVSTJZSA-N 1 0 475.081 3.735 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001313956235 1071657259 /nfs/dbraw/zinc/65/72/59/1071657259.db2.gz XXWAMKUNPMBXIL-NZQKXSOJSA-N 1 0 475.081 3.733 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001313956770 1071658149 /nfs/dbraw/zinc/65/81/49/1071658149.db2.gz KUMVMHCDUUCMNW-SFTDATJTSA-N 1 0 458.626 3.536 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001313957842 1071661235 /nfs/dbraw/zinc/66/12/35/1071661235.db2.gz KRVJPPKRSOSMPK-UHFFFAOYSA-N 1 0 491.471 3.649 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccccc3OC)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313959796 1071667271 /nfs/dbraw/zinc/66/72/71/1071667271.db2.gz AJBLEIRIXIOHTK-JOCHJYFZSA-N 1 0 470.662 3.520 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3F)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313959856 1071668006 /nfs/dbraw/zinc/66/80/06/1071668006.db2.gz BQWBOVQYDKUXGK-MHZLTWQESA-N 1 0 486.680 3.677 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3sc4ccccc4c3Cl)nnc2N(C)CCOC)CC1 ZINC001313961617 1071673472 /nfs/dbraw/zinc/67/34/72/1071673472.db2.gz WHRIXYWVBXNTJI-UHFFFAOYSA-N 1 0 477.078 3.923 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001313963210 1071677081 /nfs/dbraw/zinc/67/70/81/1071677081.db2.gz LJIDBIKEWCPGGW-GOSISDBHSA-N 1 0 489.064 3.908 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)c2ccccc2c1=O ZINC001313965029 1071682631 /nfs/dbraw/zinc/68/26/31/1071682631.db2.gz IHBJIMYATBQOSQ-OYRHEFFESA-N 1 0 495.672 3.797 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313971997 1071697129 /nfs/dbraw/zinc/69/71/29/1071697129.db2.gz FDKXMBHMZSGXFP-INIZCTEOSA-N 1 0 497.471 3.857 20 0 JHADRO CCNC(=O)C1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CCC1 ZINC001313974806 1071703741 /nfs/dbraw/zinc/70/37/41/1071703741.db2.gz IARYDCIDXSLUOL-UHFFFAOYSA-N 1 0 482.673 3.817 20 0 JHADRO CCNC(=O)C1(Cn2c(-c3ccc(CC)cc3)nnc2N2CC[NH+](CC(C)C)CC2)CCC1 ZINC001313977309 1071710352 /nfs/dbraw/zinc/71/03/52/1071710352.db2.gz YHBCRUHOFHEESM-UHFFFAOYSA-N 1 0 452.647 3.592 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](C(CC)CC)[NH+](C)C)CC1 ZINC001314008291 1071744236 /nfs/dbraw/zinc/74/42/36/1071744236.db2.gz QJHNLHCEZHOMAV-HXUWFJFHSA-N 1 0 450.672 3.999 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001314012530 1071747801 /nfs/dbraw/zinc/74/78/01/1071747801.db2.gz JVIDATGADBAYST-UHFFFAOYSA-N 1 0 498.672 3.982 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(CC)n2C[C@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC001314017251 1071762754 /nfs/dbraw/zinc/76/27/54/1071762754.db2.gz VXYQFNRSHZIOOM-JOCHJYFZSA-N 1 0 484.645 3.743 20 0 JHADRO CCOC(=O)N1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001314017851 1071764221 /nfs/dbraw/zinc/76/42/21/1071764221.db2.gz URHSGYPKDVGMQH-GOTSBHOMSA-N 1 0 468.646 3.973 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001314023489 1071779093 /nfs/dbraw/zinc/77/90/93/1071779093.db2.gz VJUKJDHVBNRXOV-UHFFFAOYSA-N 1 0 484.645 3.888 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001314024842 1071783874 /nfs/dbraw/zinc/78/38/74/1071783874.db2.gz YXDYUZPUMOXFKO-NRFANRHFSA-N 1 0 498.653 3.808 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3ccccc3CC)n2CC[NH+]2CCCCCC2)CC1 ZINC001314024918 1071784416 /nfs/dbraw/zinc/78/44/16/1071784416.db2.gz SFYVAKPYRWAQJH-UHFFFAOYSA-N 1 0 484.645 3.574 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001314023842 1071780195 /nfs/dbraw/zinc/78/01/95/1071780195.db2.gz WJIOTATZFMKQDA-NTKDMRAZSA-N 1 0 474.675 3.719 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001314030994 1071804271 /nfs/dbraw/zinc/80/42/71/1071804271.db2.gz HAKNVIJVWKUHQG-GMAHTHKFSA-N 1 0 477.613 3.666 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001314031105 1071804926 /nfs/dbraw/zinc/80/49/26/1071804926.db2.gz VKPPPWGIHPUFAK-NHCUHLMSSA-N 1 0 456.635 3.902 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)[NH+](CC)CC)C1 ZINC001314035491 1071821751 /nfs/dbraw/zinc/82/17/51/1071821751.db2.gz WUZIAYSULQNRRU-UGKGYDQZSA-N 1 0 456.635 3.953 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001314035121 1071820393 /nfs/dbraw/zinc/82/03/93/1071820393.db2.gz XTJZFIWMTXHMME-FQEVSTJZSA-N 1 0 486.686 3.796 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001314038890 1071836228 /nfs/dbraw/zinc/83/62/28/1071836228.db2.gz LEABSADLWNOZPA-SFTDATJTSA-N 1 0 469.634 3.628 20 0 JHADRO CCOC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001314052370 1071875324 /nfs/dbraw/zinc/87/53/24/1071875324.db2.gz OUGGSZWKTDBUPF-NRFANRHFSA-N 1 0 455.647 3.568 20 0 JHADRO CCO[C@H](CCn1c([C@H](C)CC)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)C(C)C ZINC001314057819 1071887385 /nfs/dbraw/zinc/88/73/85/1071887385.db2.gz TVPVIJCPEDPAMX-AWAHEQQVSA-N 1 0 476.710 3.622 20 0 JHADRO CCO[C@@H](CCn1c(C2CCCC2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001314058673 1071889772 /nfs/dbraw/zinc/88/97/72/1071889772.db2.gz CBOHHWICTUYMEO-RPWUZVMVSA-N 1 0 460.711 3.992 20 0 JHADRO CCO[C@@H](CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)C(C)C ZINC001314061481 1071898791 /nfs/dbraw/zinc/89/87/91/1071898791.db2.gz UMYRZOVKRTWVBL-HRTMPFAESA-N 1 0 462.683 3.568 20 0 JHADRO CCO[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)C(C)C ZINC001314065760 1071912092 /nfs/dbraw/zinc/91/20/92/1071912092.db2.gz SBHXFIIJNZSUET-XMMPIXPASA-N 1 0 465.646 3.842 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC001314075323 1071931989 /nfs/dbraw/zinc/93/19/89/1071931989.db2.gz RAWNTQQPCDQLHJ-UVWWXKGLSA-N 1 0 489.636 3.624 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3ccc(OC)c(F)c3)n2CC[NH+]2CCCCCC2)CCOC1 ZINC001314082917 1071946669 /nfs/dbraw/zinc/94/66/69/1071946669.db2.gz GKNTXIKQVPCBDE-RUZDIDTESA-N 1 0 475.609 3.590 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)C[C@@H](C)c3nccs3)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001314082899 1071946725 /nfs/dbraw/zinc/94/67/25/1071946725.db2.gz YGYSUWMHLJUNRV-DVECYGJZSA-N 1 0 476.691 3.891 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3ccc(OC)c(C)c3)n2C[C@H]2CCCC[N@@H+]2CC)CCOC1 ZINC001314083191 1071948293 /nfs/dbraw/zinc/94/82/93/1071948293.db2.gz IAEBWRYMPIRIKI-GJZUVCINSA-N 1 0 471.646 3.758 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@@H]3CCSC3)n2CC2CC[NH+](CCC(C)C)CC2)CCOC1 ZINC001314084429 1071950385 /nfs/dbraw/zinc/95/03/85/1071950385.db2.gz SJEKHMUBNXUCGI-ZJSXRUAMSA-N 1 0 465.708 3.630 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3nccs3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC001314084542 1071952094 /nfs/dbraw/zinc/95/20/94/1071952094.db2.gz BBXAMDDZMQPOTC-MBSDFSHPSA-N 1 0 462.664 3.534 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC(C)(c4ccc(C)cc4)CC3)n2C[C@H](C)[NH+](C)C)CCOC1 ZINC001314109332 1072002521 /nfs/dbraw/zinc/00/25/21/1072002521.db2.gz QMFSPGMCANXKRU-HFZDXXHNSA-N 1 0 455.647 3.747 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC(C)(COC)CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CCOC1 ZINC001314109742 1072003429 /nfs/dbraw/zinc/00/34/29/1072003429.db2.gz QTUCPGXXNDNYDP-VHFRWLAGSA-N 1 0 491.721 3.940 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(CC)CC3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CCOC1 ZINC001314111281 1072005216 /nfs/dbraw/zinc/00/52/16/1072005216.db2.gz JFURVPQKCQROSU-BVAGGSTKSA-N 1 0 471.646 3.868 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC([NH+](CC)CC)CC3)n2Cc2ccc(C)c(OC)c2)CCOC1 ZINC001314115745 1072014453 /nfs/dbraw/zinc/01/44/53/1072014453.db2.gz PIJVGEQJNGMRSL-SANMLTNESA-N 1 0 471.646 3.606 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(c4ccc(O)cc4)CC3)n2C[C@H](C)[NH+](CC)CC)CCOC1 ZINC001314115476 1072013055 /nfs/dbraw/zinc/01/30/55/1072013055.db2.gz YCVFLQQFLVYRAM-FNZWTVRRSA-N 1 0 471.646 3.750 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)CCOC1 ZINC001314117195 1072017017 /nfs/dbraw/zinc/01/70/17/1072017017.db2.gz QLVRADTVXRZSBH-SANMLTNESA-N 1 0 477.694 3.979 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001314118518 1072019816 /nfs/dbraw/zinc/01/98/16/1072019816.db2.gz DFCHPOULOFXTLR-PGRDOPGGSA-N 1 0 473.584 3.973 20 0 JHADRO CCO[C@]1(c2nnc(N3CCc4c(F)cc(F)cc4C3)n2CC[N@H+](C)[C@@H](C)CC)CCOC1 ZINC001314123402 1072028069 /nfs/dbraw/zinc/02/80/69/1072028069.db2.gz RSSBONWNBJLCFP-BXKMTCNYSA-N 1 0 463.573 3.501 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2C[C@@H](OC)C(C)C)CCOC1 ZINC001314127129 1072037031 /nfs/dbraw/zinc/03/70/31/1072037031.db2.gz UKXDPKSPMSIPSG-JQYIIUTOSA-N 1 0 477.694 3.550 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCSCc2ccccc2F)CCOC1 ZINC001314127373 1072037731 /nfs/dbraw/zinc/03/77/31/1072037731.db2.gz WIEBOLVUWYWADH-VWLOTQADSA-N 1 0 491.677 3.923 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCC[NH+]2CCCCC2)CCOC1 ZINC001314129133 1072040085 /nfs/dbraw/zinc/04/00/85/1072040085.db2.gz GTXHATWSEOJQQB-SQJMNOBHSA-N 1 0 463.667 3.590 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCSc2ccccc2)CCOC1 ZINC001314134973 1072047278 /nfs/dbraw/zinc/04/72/78/1072047278.db2.gz JZYBFVLGRDAVNO-XMMPIXPASA-N 1 0 459.660 3.501 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C)Sc2ccccc2)CCOC1 ZINC001314138020 1072049335 /nfs/dbraw/zinc/04/93/35/1072049335.db2.gz QWKBJMGKYYQCSP-YKSBVNFPSA-N 1 0 459.660 3.641 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2CC2CCC(C(F)(F)F)CC2)CCOC1 ZINC001314138960 1072051583 /nfs/dbraw/zinc/05/15/83/1072051583.db2.gz VLKMKPLIOUEOFE-OBFZPWGMSA-N 1 0 473.584 3.829 20 0 JHADRO CCc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC001305926177 1068221971 /nfs/dbraw/zinc/22/19/71/1068221971.db2.gz XGKVJLWZJIMXRR-RDGATRHJSA-N 1 0 468.690 3.786 20 0 JHADRO CCc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H](c2ccco2)[NH+](CC)CC)cc1 ZINC001305926655 1068222632 /nfs/dbraw/zinc/22/26/32/1068222632.db2.gz KEKFCWHTOFUJIC-DENIHFKCSA-N 1 0 464.614 3.851 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC(NC(C)=O)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001305933027 1068234021 /nfs/dbraw/zinc/23/40/21/1068234021.db2.gz DELMMMXRMDNICO-DEOSSOPVSA-N 1 0 452.647 3.733 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2CC[S@](=O)CC)cc1 ZINC001305935928 1068238384 /nfs/dbraw/zinc/23/83/84/1068238384.db2.gz JQAAMYOGEQLTAL-JOQLQMTESA-N 1 0 487.714 3.602 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC(N(C)C(C)=O)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001305936291 1068238846 /nfs/dbraw/zinc/23/88/46/1068238846.db2.gz VKVWGZJSCPLPDP-HXUWFJFHSA-N 1 0 452.647 3.687 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001305939072 1068246252 /nfs/dbraw/zinc/24/62/52/1068246252.db2.gz FMIHKNWWXRFINX-IRLDBZIGSA-N 1 0 452.647 3.720 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001305942210 1068253242 /nfs/dbraw/zinc/25/32/42/1068253242.db2.gz PNVFVAKTIMXPJH-GMAHTHKFSA-N 1 0 473.687 3.641 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2CCC[C@@H]2OC)cc1 ZINC001305947853 1068267149 /nfs/dbraw/zinc/26/71/49/1068267149.db2.gz NCJMZRSPBUVHSN-ZEQRLZLVSA-N 1 0 455.647 3.870 20 0 JHADRO CCc1ccc(-c2nnc(N3CCO[C@@H](c4cnn(C)c4)C3)n2CC[N@@H+](C)[C@@H](C)CC)cc1 ZINC001305948447 1068269357 /nfs/dbraw/zinc/26/93/57/1068269357.db2.gz DDHRQBZIBIPDFG-WMZHIEFXSA-N 1 0 451.619 3.549 20 0 JHADRO CCc1ccc([C@H]2CN(c3nnc(C(=O)NC(CC)CC)n3CC[N@@H+]3CCC[C@H]3C)CCO2)cc1 ZINC001305953169 1068278677 /nfs/dbraw/zinc/27/86/77/1068278677.db2.gz GBULWDIKTKPAGR-HYBUGGRVSA-N 1 0 482.673 3.821 20 0 JHADRO CCc1ccc([C@@H]2CN(c3nnc(C(=O)NC(CC)CC)n3CC[N@@H+]3CCC[C@H]3C)CCO2)cc1 ZINC001305953176 1068278714 /nfs/dbraw/zinc/27/87/14/1068278714.db2.gz GBULWDIKTKPAGR-YKSBVNFPSA-N 1 0 482.673 3.821 20 0 JHADRO CCc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001305956699 1068284107 /nfs/dbraw/zinc/28/41/07/1068284107.db2.gz XGYDBRKDHOLGAS-MIZPHKNDSA-N 1 0 484.714 3.780 20 0 JHADRO C[NH+]1CCN(c2ccc(CCNC(=O)c3ccccc3COc3cccc(C=O)c3)cc2)CC1 ZINC001305972843 1068307768 /nfs/dbraw/zinc/30/77/68/1068307768.db2.gz LYJSUHPBTQANOU-UHFFFAOYSA-N 1 0 457.574 3.802 20 0 JHADRO CCc1ccccc1NC(=O)CN1CCN(c2nnc(C(C)C)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001305973177 1068308318 /nfs/dbraw/zinc/30/83/18/1068308318.db2.gz BNIOSQYRBWGQRO-XMMPIXPASA-N 1 0 495.716 3.989 20 0 JHADRO CCc1ccccc1NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001305975498 1068313637 /nfs/dbraw/zinc/31/36/37/1068313637.db2.gz YCBZCJNEWFLGII-QFIPXVFZSA-N 1 0 495.716 3.631 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[C@@H](C(=O)OC)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001305978392 1068319369 /nfs/dbraw/zinc/31/93/69/1068319369.db2.gz FSUTTWLJQJZYOS-RBBKRZOGSA-N 1 0 469.630 3.541 20 0 JHADRO CCc1ccccc1OCc1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305978586 1068320257 /nfs/dbraw/zinc/32/02/57/1068320257.db2.gz RAYRXWBLTYICTE-UPVQGACJSA-N 1 0 496.700 3.845 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1C[C@H](C)[NH+](CC)CC ZINC001305981397 1068325663 /nfs/dbraw/zinc/32/56/63/1068325663.db2.gz GSBUJMXJYZQUFO-GHIUXRNCSA-N 1 0 485.673 3.923 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305982712 1068328182 /nfs/dbraw/zinc/32/81/82/1068328182.db2.gz MPNSZRQLNUMPAU-XPNTWCBSSA-N 1 0 455.647 3.749 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001305984441 1068332721 /nfs/dbraw/zinc/33/27/21/1068332721.db2.gz GPHKKQBOLWGNTC-RBISFHTESA-N 1 0 496.700 3.989 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCCN(C(C)=O)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001305984710 1068333484 /nfs/dbraw/zinc/33/34/84/1068333484.db2.gz HRHNGWDRNMHKKH-UHFFFAOYSA-N 1 0 482.673 3.743 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCN(C(C)=O)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001305985240 1068334751 /nfs/dbraw/zinc/33/47/51/1068334751.db2.gz GTLFTTIYJWGYBU-JOCHJYFZSA-N 1 0 482.673 3.600 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCN(C(C)=O)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001305985881 1068336527 /nfs/dbraw/zinc/33/65/27/1068336527.db2.gz BLKPERLETFJCGC-ZBLYBZFDSA-N 1 0 482.673 3.599 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC1CC[NH+](CC)CC1 ZINC001305989612 1068348355 /nfs/dbraw/zinc/34/83/55/1068348355.db2.gz JDJHBKZJRYGGMC-OFNKIYASSA-N 1 0 455.647 3.749 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305991052 1068351568 /nfs/dbraw/zinc/35/15/68/1068351568.db2.gz VQZDDSIMAQWBLN-TUNNFDKTSA-N 1 0 473.687 3.597 20 0 JHADRO CCc1cnc(CN(C)c2nnc(CC3CCCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC001305994315 1068355806 /nfs/dbraw/zinc/35/58/06/1068355806.db2.gz CRIGDHPPOHYQRH-UHFFFAOYSA-N 1 0 459.708 3.692 20 0 JHADRO CCc1cnc(CN(C)c2nnc(CC3CCCC3)n2CC2(O)CC[NH+](C(C)C)CC2)s1 ZINC001305994565 1068356216 /nfs/dbraw/zinc/35/62/16/1068356216.db2.gz FIDHXZFQNHFSEH-UHFFFAOYSA-N 1 0 460.692 3.901 20 0 JHADRO CCc1cnc(CN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001305994734 1068356912 /nfs/dbraw/zinc/35/69/12/1068356912.db2.gz AHUIMSTYADXCLA-KDURUIRLSA-N 1 0 483.686 3.807 20 0 JHADRO CCc1cnc(Cn2c(N3CCC[N@@H+](C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001306000329 1068370222 /nfs/dbraw/zinc/37/02/22/1068370222.db2.gz YRIRWMYTCGXKQG-DEOSSOPVSA-N 1 0 476.691 3.697 20 0 JHADRO CCc1nc(C)c([C@H](C)N(C)c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCCC2)s1 ZINC001306001036 1068372385 /nfs/dbraw/zinc/37/23/85/1068372385.db2.gz NCNNAZLBKZEWQK-SFHVURJKSA-N 1 0 459.664 3.525 20 0 JHADRO CCc1csc([C@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H](C)N3CC[NH+](CC)CC3)C2)n1 ZINC001306001119 1068372915 /nfs/dbraw/zinc/37/29/15/1068372915.db2.gz OKQCAIHWKXEZRB-RTWAWAEBSA-N 1 0 473.735 3.906 20 0 JHADRO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC[NH+]2CCSCC2)s1 ZINC001306002159 1068374621 /nfs/dbraw/zinc/37/46/21/1068374621.db2.gz FEVWGTFYHSIRNV-BJLQDIEVSA-N 1 0 494.731 3.576 20 0 JHADRO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC001306005185 1068382821 /nfs/dbraw/zinc/38/28/21/1068382821.db2.gz HJQFTFBDHQMHOC-ZCNNSNEGSA-N 1 0 476.691 3.664 20 0 JHADRO CCc1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001306061961 1068501575 /nfs/dbraw/zinc/50/15/75/1068501575.db2.gz AUHPLNKJCKPIRD-IBGZPJMESA-N 1 0 451.594 3.762 20 0 JHADRO CCc1nnc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001306062626 1068502133 /nfs/dbraw/zinc/50/21/33/1068502133.db2.gz FEGXCOLKTDPOAL-HYHKQLJDSA-N 1 0 461.676 3.665 20 0 JHADRO CCc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306079304 1068509834 /nfs/dbraw/zinc/50/98/34/1068509834.db2.gz MIUHRROHXHWPSL-OALUTQOASA-N 1 0 461.676 3.637 20 0 JHADRO CCc1nnc(N(C)Cc2cccc(OC(F)F)c2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001306079321 1068510276 /nfs/dbraw/zinc/51/02/76/1068510276.db2.gz OUVUFPPEVIMUKQ-IRXDYDNUSA-N 1 0 451.562 3.966 20 0 JHADRO CCc1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001306092650 1068515724 /nfs/dbraw/zinc/51/57/24/1068515724.db2.gz UJNDBCUGMGYSRM-RBBKRZOGSA-N 1 0 470.662 3.960 20 0 JHADRO CCc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001306110036 1068521583 /nfs/dbraw/zinc/52/15/83/1068521583.db2.gz XLZAERMRQIWSJU-CTNGQTDRSA-N 1 0 462.683 3.948 20 0 JHADRO CCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001306118227 1068525144 /nfs/dbraw/zinc/52/51/44/1068525144.db2.gz GHHHGJBWIQJIJP-NRFANRHFSA-N 1 0 453.635 3.664 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001306118768 1068526188 /nfs/dbraw/zinc/52/61/88/1068526188.db2.gz VEHHCPDWZWGBTR-QFIPXVFZSA-N 1 0 456.610 3.511 20 0 JHADRO CCc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CCC[NH+]1CCCCC1 ZINC001306118616 1068526283 /nfs/dbraw/zinc/52/62/83/1068526283.db2.gz KAQODGNZKVJDKO-UHFFFAOYSA-N 1 0 460.026 3.620 20 0 JHADRO CCc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306121821 1068530691 /nfs/dbraw/zinc/53/06/91/1068530691.db2.gz RAAQEGHPISDEKL-HSALFYBXSA-N 1 0 492.709 3.858 20 0 JHADRO CCc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001306122235 1068531267 /nfs/dbraw/zinc/53/12/67/1068531267.db2.gz FPKOFPRRXOSAAJ-AXHZCLLHSA-N 1 0 473.637 3.817 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001306142422 1068543884 /nfs/dbraw/zinc/54/38/84/1068543884.db2.gz BVOUNDFMLGCJCT-HSZRJFAPSA-N 1 0 454.663 3.914 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001306142955 1068544955 /nfs/dbraw/zinc/54/49/55/1068544955.db2.gz FZBZQBQJGBVZSA-UHFFFAOYSA-N 1 0 471.625 3.892 20 0 JHADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001306144989 1068548132 /nfs/dbraw/zinc/54/81/32/1068548132.db2.gz VAUMMPBUDQXGGJ-ZWKOTPCHSA-N 1 0 460.648 3.843 20 0 JHADRO CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001306148285 1068550702 /nfs/dbraw/zinc/55/07/02/1068550702.db2.gz FAYIHMAEUOEUIB-UHFFFAOYSA-N 1 0 456.635 3.542 20 0 JHADRO CCc1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1CCCN1CC[NH+](CC)CC1 ZINC001306154192 1068552905 /nfs/dbraw/zinc/55/29/05/1068552905.db2.gz GNOYRJXDTRYLBF-UHFFFAOYSA-N 1 0 468.690 3.856 20 0 JHADRO CCc1nnc(N2CCc3ccc(Br)cc3C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001306154320 1068552965 /nfs/dbraw/zinc/55/29/65/1068552965.db2.gz HXAZTNDODVNLDE-HXUWFJFHSA-N 1 0 462.436 3.523 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001306157094 1068555226 /nfs/dbraw/zinc/55/52/26/1068555226.db2.gz MYCXMTBGVAWGAY-WOJBJXKFSA-N 1 0 453.635 3.519 20 0 JHADRO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001306157040 1068555293 /nfs/dbraw/zinc/55/52/93/1068555293.db2.gz LZIDQIOAZCMGFD-SFTDATJTSA-N 1 0 453.635 3.664 20 0 JHADRO CCc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001306162571 1068558170 /nfs/dbraw/zinc/55/81/70/1068558170.db2.gz UZASQEGIESSVRM-SVFBPWRDSA-N 1 0 460.667 3.987 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CCNC(=O)c1cccc(C)c1 ZINC001306165826 1068561774 /nfs/dbraw/zinc/56/17/74/1068561774.db2.gz SMCXNKOSDVYVJR-QFIPXVFZSA-N 1 0 452.647 3.527 20 0 JHADRO CCc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001306166513 1068562851 /nfs/dbraw/zinc/56/28/51/1068562851.db2.gz WWRFLVWYTLISQB-RBBKRZOGSA-N 1 0 454.663 3.740 20 0 JHADRO CCc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001306171467 1068566348 /nfs/dbraw/zinc/56/63/48/1068566348.db2.gz TUDCIBYHXSETKD-GMAHTHKFSA-N 1 0 482.673 3.817 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001306178713 1068568614 /nfs/dbraw/zinc/56/86/14/1068568614.db2.gz DAYVPVXJXJXMHC-UHFFFAOYSA-N 1 0 456.610 3.597 20 0 JHADRO CCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCCOCC1CCOCC1 ZINC001306179755 1068570255 /nfs/dbraw/zinc/57/02/55/1068570255.db2.gz CAPMMBHJRVVYTQ-UHFFFAOYSA-N 1 0 459.610 3.525 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001306180193 1068571422 /nfs/dbraw/zinc/57/14/22/1068571422.db2.gz QULGZDWQBKFXMR-VQTJNVASSA-N 1 0 473.065 3.967 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001306180638 1068571983 /nfs/dbraw/zinc/57/19/83/1068571983.db2.gz VQSSUIAMULSPIN-JOCHJYFZSA-N 1 0 452.647 3.848 20 0 JHADRO CCc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001306186325 1068577410 /nfs/dbraw/zinc/57/74/10/1068577410.db2.gz SKNYXRQCOVGYRW-QFIPXVFZSA-N 1 0 466.674 3.980 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CCCCC[NH+]1CCCC1 ZINC001306186469 1068577952 /nfs/dbraw/zinc/57/79/52/1068577952.db2.gz QKAJORDUGFCGAE-UHFFFAOYSA-N 1 0 477.028 3.862 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001306188211 1068580239 /nfs/dbraw/zinc/58/02/39/1068580239.db2.gz VYDGBEVVQHPBMY-QHCPKHFHSA-N 1 0 484.645 3.601 20 0 JHADRO CCc1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001306194270 1068585447 /nfs/dbraw/zinc/58/54/47/1068585447.db2.gz LSVYLFAAWXQBAK-UHFFFAOYSA-N 1 0 458.626 3.969 20 0 JHADRO CCc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001306196161 1068588320 /nfs/dbraw/zinc/58/83/20/1068588320.db2.gz XQYZQORNEJHRIG-NHCUHLMSSA-N 1 0 472.682 3.885 20 0 JHADRO CCc1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001306205892 1068596532 /nfs/dbraw/zinc/59/65/32/1068596532.db2.gz ZAFZQNSJMHKGQV-QFIPXVFZSA-N 1 0 495.716 3.730 20 0 JHADRO CCc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001306207574 1068599060 /nfs/dbraw/zinc/59/90/60/1068599060.db2.gz WGUVXUAQNBTKGI-NQIIRXRSSA-N 1 0 464.580 3.750 20 0 JHADRO CCc1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1Cc1c(C)sc(C)c1Br ZINC001306210031 1068600599 /nfs/dbraw/zinc/60/05/99/1068600599.db2.gz QOSPRTHBQXQDJE-INIZCTEOSA-N 1 0 470.481 3.877 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1C[C@H](C)[NH+](CC)CC ZINC001306213626 1068602042 /nfs/dbraw/zinc/60/20/42/1068602042.db2.gz CVHDLHDXPAXLCU-LPHOPBHVSA-N 1 0 450.425 3.911 20 0 JHADRO CCc1nnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001306215853 1068603447 /nfs/dbraw/zinc/60/34/47/1068603447.db2.gz USIYGQPUEJPCGL-LJQANCHMSA-N 1 0 450.052 3.899 20 0 JHADRO CCc1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001306227183 1068611704 /nfs/dbraw/zinc/61/17/04/1068611704.db2.gz BXCUVPTUDPNYQC-OYRHEFFESA-N 1 0 460.667 3.656 20 0 JHADRO CCc1nnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001306229367 1068615045 /nfs/dbraw/zinc/61/50/45/1068615045.db2.gz HNLXUTRJQUTMPA-FCEUIQTBSA-N 1 0 468.646 3.664 20 0 JHADRO CCc1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3C[C@H](c3cccs3)[NH+](C)C)CC2)n1 ZINC001306230450 1068616394 /nfs/dbraw/zinc/61/63/94/1068616394.db2.gz QTFIZCWREMQYFT-QZTJIDSGSA-N 1 0 472.663 3.595 20 0 JHADRO CCc1noc([C@@H](C)N2CCN(c3nnc(-c4ccccc4)n3C[C@@H](C)[NH+](CC)CC)CC2)n1 ZINC001306231286 1068618187 /nfs/dbraw/zinc/61/81/87/1068618187.db2.gz BGEXYAKUMVWAHX-WOJBJXKFSA-N 1 0 466.634 3.504 20 0 JHADRO CCc1noc(C)c1Cn1c([C@@H](C)CC)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001306232996 1068623222 /nfs/dbraw/zinc/62/32/22/1068623222.db2.gz IUZXRAZUGRMBED-FQEVSTJZSA-N 1 0 465.646 3.957 20 0 JHADRO CCc1noc(C)c1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001306233698 1068625378 /nfs/dbraw/zinc/62/53/78/1068625378.db2.gz XEXCOUDTVBFLQP-HUUCEWRRSA-N 1 0 490.450 3.872 20 0 JHADRO CCc1nsc(N2CCCN(c3nnc(C(C)C)n3CC[N@H+](C)Cc3ccc(F)cc3)CC2)n1 ZINC001306239250 1068634663 /nfs/dbraw/zinc/63/46/63/1068634663.db2.gz CZDNZZGCUUXMTB-UHFFFAOYSA-N 1 0 486.665 3.803 20 0 JHADRO CCc1nsc(N2CCN(c3nnc(C4CCCC4)n3CC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001306239791 1068636485 /nfs/dbraw/zinc/63/64/85/1068636485.db2.gz FQJKWXNDDGBHRL-UHFFFAOYSA-N 1 0 460.696 3.795 20 0 JHADRO CCc1nsc(N2CCCN(c3nnc(COc4ccc(C)cc4)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001306240708 1068641270 /nfs/dbraw/zinc/64/12/70/1068641270.db2.gz IYBYRSQDIUDWPI-UHFFFAOYSA-N 1 0 498.701 3.636 20 0 JHADRO CCc1nsc(N2CCN(c3nnc(CC(C)C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)CC2)n1 ZINC001306240843 1068641870 /nfs/dbraw/zinc/64/18/70/1068641870.db2.gz WHZSDUVJFBLRHI-OAQYLSRUSA-N 1 0 482.702 3.828 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)[NH+](CC)CC ZINC001306244714 1068649994 /nfs/dbraw/zinc/64/99/94/1068649994.db2.gz CVFFHKQHXKBDND-RDTXWAMCSA-N 1 0 453.418 3.697 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cccc(C)c2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306257619 1068664648 /nfs/dbraw/zinc/66/46/48/1068664648.db2.gz ODHBEXLZCFQOHB-AOHZBQACSA-N 1 0 482.673 3.638 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)cc2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306259962 1068668234 /nfs/dbraw/zinc/66/82/34/1068668234.db2.gz IROYNTZUOTYWKY-CQOQZXRMSA-N 1 0 482.673 3.638 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001306261106 1068670551 /nfs/dbraw/zinc/67/05/51/1068670551.db2.gz SQUPXOLTNICWNA-KURKYZTESA-N 1 0 453.616 3.915 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001306261107 1068671192 /nfs/dbraw/zinc/67/11/92/1068671192.db2.gz SQUPXOLTNICWNA-KZNAEPCWSA-N 1 0 453.616 3.915 20 0 JHADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001306263367 1068675215 /nfs/dbraw/zinc/67/52/15/1068675215.db2.gz WXBZJQWSLPDSLN-DQLDELGASA-N 1 0 459.038 3.827 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001306263369 1068675812 /nfs/dbraw/zinc/67/58/12/1068675812.db2.gz WXBZJQWSLPDSLN-MAODMQOUSA-N 1 0 459.038 3.827 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC[N@H+](C)C(C)C ZINC001306265208 1068679428 /nfs/dbraw/zinc/67/94/28/1068679428.db2.gz UOBAHLRLVJGHPF-DENIHFKCSA-N 1 0 476.691 3.551 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2ccccc2OC)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001306276158 1068689731 /nfs/dbraw/zinc/68/97/31/1068689731.db2.gz WPYJJSLSZYLMLJ-FUPPJEDESA-N 1 0 454.663 3.528 20 0 JHADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)[NH+](CC)CC ZINC001306285466 1068703753 /nfs/dbraw/zinc/70/37/53/1068703753.db2.gz GBKOUIGFGZDAHW-SFHLNBCPSA-N 1 0 476.691 3.551 20 0 JHADRO CC[C@H]1C[C@@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[NH+]1CCCCC1 ZINC001306289246 1068706864 /nfs/dbraw/zinc/70/68/64/1068706864.db2.gz UYYRGDCIORFXOX-CTNGQTDRSA-N 1 0 459.660 3.849 20 0 JHADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2ccccc2OC)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001306299023 1068715623 /nfs/dbraw/zinc/71/56/23/1068715623.db2.gz HLUXYLPOCUJKGF-IFMALSPDSA-N 1 0 454.663 3.528 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001306309055 1068727581 /nfs/dbraw/zinc/72/75/81/1068727581.db2.gz AQWLPFCQQDHXLM-ROUUACIJSA-N 1 0 456.557 3.557 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001306315906 1068734783 /nfs/dbraw/zinc/73/47/83/1068734783.db2.gz BJHAAIPAUHXRCN-HXUWFJFHSA-N 1 0 458.676 3.998 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306316270 1068735643 /nfs/dbraw/zinc/73/56/43/1068735643.db2.gz DHQAZPLMABBUOE-QUCCMNQESA-N 1 0 490.446 3.971 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 ZINC001306317261 1068737322 /nfs/dbraw/zinc/73/73/22/1068737322.db2.gz IPTIRLKGXWMNPV-NRFANRHFSA-N 1 0 498.672 3.737 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001306317298 1068737737 /nfs/dbraw/zinc/73/77/37/1068737737.db2.gz JJZHLENDWQTSEZ-HXUWFJFHSA-N 1 0 490.599 3.903 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306318807 1068742600 /nfs/dbraw/zinc/74/26/00/1068742600.db2.gz IENNHEASFYLUEH-QFIPXVFZSA-N 1 0 482.673 3.913 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccs1 ZINC001306319238 1068744038 /nfs/dbraw/zinc/74/40/38/1068744038.db2.gz ROZMZAXMXWAMTC-SFHVURJKSA-N 1 0 453.616 3.888 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001306320227 1068748166 /nfs/dbraw/zinc/74/81/66/1068748166.db2.gz RSFAOAFELDTVGD-IRFCIJBXSA-N 1 0 491.727 3.943 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001306321187 1068751025 /nfs/dbraw/zinc/75/10/25/1068751025.db2.gz BMOBFCVRTUNCCS-YYTDSSBASA-N 1 0 474.694 3.553 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306322072 1068753086 /nfs/dbraw/zinc/75/30/86/1068753086.db2.gz JCQLGYOKKXHTLI-QHCPKHFHSA-N 1 0 481.689 3.996 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](SC)C1 ZINC001306322487 1068753737 /nfs/dbraw/zinc/75/37/37/1068753737.db2.gz HKRLUCXNWOBDJK-CMOCDZPBSA-N 1 0 465.708 3.989 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001306322719 1068754482 /nfs/dbraw/zinc/75/44/82/1068754482.db2.gz JEPCCPKWXJEJOU-RXVVDRJESA-N 1 0 497.562 3.898 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001306323944 1068757162 /nfs/dbraw/zinc/75/71/62/1068757162.db2.gz NGHKIEBVZRJUGH-OAQYLSRUSA-N 1 0 476.616 3.817 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001306324080 1068759098 /nfs/dbraw/zinc/75/90/98/1068759098.db2.gz NDESSHUAELPOEH-SFTDATJTSA-N 1 0 488.627 3.764 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001306324465 1068759194 /nfs/dbraw/zinc/75/91/94/1068759194.db2.gz OTUUMDAFOMUBDI-OFVILXPXSA-N 1 0 457.667 3.617 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001306324687 1068759742 /nfs/dbraw/zinc/75/97/42/1068759742.db2.gz UTFFBOBRFUYYKM-NRFANRHFSA-N 1 0 482.677 3.543 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC001306325249 1068761685 /nfs/dbraw/zinc/76/16/85/1068761685.db2.gz UFGGLTXPLVORMJ-QHCPKHFHSA-N 1 0 484.737 3.804 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001306325967 1068763207 /nfs/dbraw/zinc/76/32/07/1068763207.db2.gz XAYUYHZOKWIVPJ-ILBGXUMGSA-N 1 0 466.674 3.794 20 0 JHADRO CC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001306337542 1068774183 /nfs/dbraw/zinc/77/41/83/1068774183.db2.gz QQPOLQFIBIILNS-QZNHQXDQSA-N 1 0 473.687 3.717 20 0 JHADRO CC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001306340916 1068777472 /nfs/dbraw/zinc/77/74/72/1068777472.db2.gz CRJJIGJDTVEMBJ-WBADGQHESA-N 1 0 460.711 3.849 20 0 JHADRO CC[C@H]1CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCCN1CC[NH+](CC)CC1 ZINC001306343538 1068780168 /nfs/dbraw/zinc/78/01/68/1068780168.db2.gz VIUFDARKMRKXRS-SFTDATJTSA-N 1 0 458.626 3.964 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001306347598 1068784664 /nfs/dbraw/zinc/78/46/64/1068784664.db2.gz QOFZYJAFLKDIPV-IEBWSBKVSA-N 1 0 479.467 3.926 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001306354883 1068789346 /nfs/dbraw/zinc/78/93/46/1068789346.db2.gz AXOPFGBHWIBTIR-WOJBJXKFSA-N 1 0 492.462 3.845 20 0 JHADRO CC[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001306361491 1068796521 /nfs/dbraw/zinc/79/65/21/1068796521.db2.gz DNRAIXJWIUOIJT-MZKRTTBSSA-N 1 0 486.636 3.736 20 0 JHADRO CC[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001306381126 1068812362 /nfs/dbraw/zinc/81/23/62/1068812362.db2.gz CBWCRXYHTPJAGJ-VAMGGRTRSA-N 1 0 458.676 3.874 20 0 JHADRO 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CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCC[C@@H](O)C2)CC[N@@H+]1CCOC ZINC001306401537 1068862247 /nfs/dbraw/zinc/86/22/47/1068862247.db2.gz IZHAZEXYMFNLCF-VLCRHTCISA-N 1 0 462.038 3.697 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2CC2)CC[N@@H+]1CCOC ZINC001306402898 1068865140 /nfs/dbraw/zinc/86/51/40/1068865140.db2.gz COKHHNIHDHOSKR-IBGZPJMESA-N 1 0 462.436 3.973 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCCO2)CC[N@@H+]1CCOC ZINC001306403747 1068867847 /nfs/dbraw/zinc/86/78/47/1068867847.db2.gz HHLWLFUDURMORB-UXHICEINSA-N 1 0 492.462 3.742 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](C)COC)CC[N@@H+]1CCOC ZINC001306403945 1068868302 /nfs/dbraw/zinc/86/83/02/1068868302.db2.gz HJVISAJCTGFYRF-YLJYHZDGSA-N 1 0 494.478 3.846 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCc2cc(F)cc(F)c2)CC[N@@H+]1CCOC ZINC001306404391 1068869554 /nfs/dbraw/zinc/86/95/54/1068869554.db2.gz JSQCAARCWXHZNC-OAQYLSRUSA-N 1 0 459.541 3.914 20 0 JHADRO 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CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CCO1 ZINC001306444305 1068955814 /nfs/dbraw/zinc/95/58/14/1068955814.db2.gz MJBCOABNYVEZML-IRLDBZIGSA-N 1 0 470.643 3.561 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)c2cccc(C)c2)CC[N@@H+]1CCOC ZINC001306453674 1068974004 /nfs/dbraw/zinc/97/40/04/1068974004.db2.gz XQTIWWSRIBRWDO-PXDATVDWSA-N 1 0 479.673 3.799 20 0 JHADRO CC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001306455973 1068979832 /nfs/dbraw/zinc/97/98/32/1068979832.db2.gz WBKWUXZBENUYKV-PKTZIBPZSA-N 1 0 471.646 3.590 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001306458122 1068988708 /nfs/dbraw/zinc/98/87/08/1068988708.db2.gz VDDNXBOPKSOIRA-NJYVYQBISA-N 1 0 476.666 3.697 20 0 JHADRO COc1ccc(NC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)cc1OC(C)C ZINC001310513859 1068995154 /nfs/dbraw/zinc/99/51/54/1068995154.db2.gz PUTRCWRATKUYOM-UHFFFAOYSA-N 1 0 456.587 3.777 20 0 JHADRO 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CCCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001306506999 1069089866 /nfs/dbraw/zinc/08/98/66/1069089866.db2.gz WRZKOCWBMGTYAO-ZPFZUWPUSA-N 1 0 488.721 3.956 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001306507605 1069093023 /nfs/dbraw/zinc/09/30/23/1069093023.db2.gz OLEFVYLYTGCZTM-ZEQRLZLVSA-N 1 0 466.674 3.937 20 0 JHADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccnn1-c1ccc(Br)cn1 ZINC001310667538 1069097307 /nfs/dbraw/zinc/09/73/07/1069097307.db2.gz IAVGEJXGTIISOS-GOSISDBHSA-N 1 0 455.360 3.988 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001306511158 1069104476 /nfs/dbraw/zinc/10/44/76/1069104476.db2.gz SLXMCQDECICORZ-NRFANRHFSA-N 1 0 475.641 3.746 20 0 JHADRO COc1cc(NC(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)ccc1C(F)(F)F ZINC001310678431 1069105310 /nfs/dbraw/zinc/10/53/10/1069105310.db2.gz WHTTYYURBSQACP-UHFFFAOYSA-N 1 0 450.505 3.996 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001306513457 1069112345 /nfs/dbraw/zinc/11/23/45/1069112345.db2.gz XVNXBUMGXAJGRR-IBGZPJMESA-N 1 0 488.627 3.764 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001306514975 1069115620 /nfs/dbraw/zinc/11/56/20/1069115620.db2.gz MUUMDLIJDQBBCE-QTGUNEKASA-N 1 0 474.694 3.565 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001306515042 1069116082 /nfs/dbraw/zinc/11/60/82/1069116082.db2.gz AWSSIDCPGGQDOB-NHCUHLMSSA-N 1 0 455.651 3.670 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)C1 ZINC001306516670 1069123566 /nfs/dbraw/zinc/12/35/66/1069123566.db2.gz ZOYQXJHFKKCDRD-JOCHJYFZSA-N 1 0 474.694 3.569 20 0 JHADRO CC[NH+](CC)CC[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1)c1ccccc1 ZINC001310719706 1069133121 /nfs/dbraw/zinc/13/31/21/1069133121.db2.gz WOWIARNXTYFXBZ-HXUWFJFHSA-N 1 0 450.580 3.671 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001306519951 1069138362 /nfs/dbraw/zinc/13/83/62/1069138362.db2.gz WPJAEILSDLHMED-NHCUHLMSSA-N 1 0 470.637 3.625 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306520750 1069141722 /nfs/dbraw/zinc/14/17/22/1069141722.db2.gz PDWPCZARSDWRMS-MZYLBHOOSA-N 1 0 481.689 3.902 20 0 JHADRO COC(=O)Cc1sc(NC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nc1-c1ccccc1 ZINC001310737609 1069143132 /nfs/dbraw/zinc/14/31/32/1069143132.db2.gz NUYBCPCKEDHWPE-UXHICEINSA-N 1 0 464.591 3.993 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C(C)C)C1 ZINC001306523889 1069149867 /nfs/dbraw/zinc/14/98/67/1069149867.db2.gz ZPCANOZALBMAFV-MQSCRBSSSA-N 1 0 476.710 3.670 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001306525743 1069153213 /nfs/dbraw/zinc/15/32/13/1069153213.db2.gz CRFLPQCYGGCXKK-REWPJTCUSA-N 1 0 492.462 3.560 20 0 JHADRO CCC[C@](C)(O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001306526397 1069155215 /nfs/dbraw/zinc/15/52/15/1069155215.db2.gz JUHKWUMYHDQVHJ-XFAFFCHDSA-N 1 0 468.690 3.587 20 0 JHADRO COCCC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2I)CC1 ZINC001310779771 1069159641 /nfs/dbraw/zinc/15/96/41/1069159641.db2.gz VHVFUOPCXVMPFL-UHFFFAOYSA-N 1 0 451.736 3.567 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001306528494 1069161563 /nfs/dbraw/zinc/16/15/63/1069161563.db2.gz IFACCYOTQNHHOU-UWUFEASWSA-N 1 0 469.634 3.650 20 0 JHADRO CCC[C@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306530385 1069169374 /nfs/dbraw/zinc/16/93/74/1069169374.db2.gz WORJQTNQWBYPDS-CUNXSJBXSA-N 1 0 485.673 3.887 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001306531981 1069172981 /nfs/dbraw/zinc/17/29/81/1069172981.db2.gz KSNZIFSPBSNNNT-QSEAXJEQSA-N 1 0 468.690 3.799 20 0 JHADRO CCSc1cccc(Br)c1NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001310823611 1069179282 /nfs/dbraw/zinc/17/92/82/1069179282.db2.gz JRVKDKPUUYFSOP-UHFFFAOYSA-N 1 0 457.438 3.579 20 0 JHADRO O=C(Nc1cc(C(F)(F)F)cc(Br)n1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001310841002 1069188185 /nfs/dbraw/zinc/18/81/85/1069188185.db2.gz RQCGADHSBQBPGP-ZDUSSCGKSA-N 1 0 451.287 3.582 20 0 JHADRO CC(=O)N1CCN(c2cccc(NC(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)c2C)C1=O ZINC001310853260 1069194525 /nfs/dbraw/zinc/19/45/25/1069194525.db2.gz PDLXSAXGIXELGZ-OAQYLSRUSA-N 1 0 455.603 3.759 20 0 JHADRO O=C(Nc1cc(Br)c(F)cc1N1CCOCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001310874540 1069202180 /nfs/dbraw/zinc/20/21/80/1069202180.db2.gz JMLNSDLUFPDOLJ-OAHLLOKOSA-N 1 0 455.372 3.517 20 0 JHADRO O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001310906276 1069217402 /nfs/dbraw/zinc/21/74/02/1069217402.db2.gz HYOLNLFXCUVNAZ-MOPGFXCFSA-N 1 0 451.493 3.781 20 0 JHADRO CCC[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001306552612 1069218541 /nfs/dbraw/zinc/21/85/41/1069218541.db2.gz XPTOACKSEVJCAT-OBTVHEKISA-N 1 0 468.690 3.819 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[NH+]1CCCCCC1 ZINC001306561765 1069231126 /nfs/dbraw/zinc/23/11/26/1069231126.db2.gz JLLFLKVGLXOPJW-HXUWFJFHSA-N 1 0 475.707 3.987 20 0 JHADRO C[C@@H]1CN(c2cc(F)cc(NC(=O)NCC3([NH+]4CCSCC4)CCCC3)c2)C[C@H](C)O1 ZINC001310956980 1069233233 /nfs/dbraw/zinc/23/32/33/1069233233.db2.gz AFRJDKKDWODWEE-HDICACEKSA-N 1 0 450.624 3.922 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCOCC1 ZINC001306567759 1069235436 /nfs/dbraw/zinc/23/54/36/1069235436.db2.gz NXRDYNDOJBNXGZ-HNNXBMFYSA-N 1 0 453.429 3.771 20 0 JHADRO CCC[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001306569999 1069237658 /nfs/dbraw/zinc/23/76/58/1069237658.db2.gz VVQSQAFUWFGFBS-CPJSRVTESA-N 1 0 456.635 3.907 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[NH+]1CCCCC1 ZINC001306570298 1069238155 /nfs/dbraw/zinc/23/81/55/1069238155.db2.gz ADSXMBLCJWOFRI-IBGZPJMESA-N 1 0 461.680 3.739 20 0 JHADRO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC001310981625 1069239542 /nfs/dbraw/zinc/23/95/42/1069239542.db2.gz OSPOQMLONZVULX-HXUWFJFHSA-N 1 0 451.596 3.712 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001306577736 1069243291 /nfs/dbraw/zinc/24/32/91/1069243291.db2.gz RHBJOVYBQXAEMB-DYESRHJHSA-N 1 0 468.602 3.942 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001306585329 1069251372 /nfs/dbraw/zinc/25/13/72/1069251372.db2.gz MBIZSTROJVSLKZ-ZROJVYTPSA-N 1 0 488.721 3.671 20 0 JHADRO CC(C)(C)OC(=O)C(C)(C)n1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001311035684 1069252872 /nfs/dbraw/zinc/25/28/72/1069252872.db2.gz IZYXNVRHVOWTJZ-UHFFFAOYSA-N 1 0 455.603 3.994 20 0 JHADRO 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499.704 3.543 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC001306613626 1069292932 /nfs/dbraw/zinc/29/29/32/1069292932.db2.gz GFZDHOGARIYUJW-OAQYLSRUSA-N 1 0 498.031 3.564 20 0 JHADRO COc1ncc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c(C)c1Br ZINC001311207866 1069297216 /nfs/dbraw/zinc/29/72/16/1069297216.db2.gz GLMLPTYHHHWGHM-UHFFFAOYSA-N 1 0 455.397 3.517 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001306618615 1069302256 /nfs/dbraw/zinc/30/22/56/1069302256.db2.gz GFYBWFQBGPKEBC-RBJSKKJNSA-N 1 0 499.700 3.985 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC[N@@H+]1CCOC ZINC001306618977 1069302784 /nfs/dbraw/zinc/30/27/84/1069302784.db2.gz HRAJFSYHDBBPHP-YBZFOXLFSA-N 1 0 499.700 3.720 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001306619457 1069303761 /nfs/dbraw/zinc/30/37/61/1069303761.db2.gz BEZMDFMMCLLAOS-DENIHFKCSA-N 1 0 467.593 3.615 20 0 JHADRO CCC[C@H]1CN(c2nnc(C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1CCOC ZINC001306619701 1069304200 /nfs/dbraw/zinc/30/42/00/1069304200.db2.gz ZOWQMPRMYTWEHV-VWLOTQADSA-N 1 0 454.663 3.558 20 0 JHADRO CCC(=O)N1CCc2ccc(NC(=O)NCCc3ccc(OCC[NH+]4CCCC4)cc3)cc21 ZINC001311241639 1069305690 /nfs/dbraw/zinc/30/56/90/1069305690.db2.gz SNBIACFESXMKND-UHFFFAOYSA-N 1 0 450.583 3.825 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cnn(C2CCC2)c1 ZINC001311244752 1069306660 /nfs/dbraw/zinc/30/66/60/1069306660.db2.gz XIXMIYLYLZXRHK-UHFFFAOYSA-N 1 0 450.509 3.961 20 0 JHADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)cc1 ZINC001164406429 718863647 /nfs/dbraw/zinc/86/36/47/718863647.db2.gz GQYSIELEPQRHFZ-MAUKXSAKSA-N 1 0 451.901 3.548 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164618217 719007471 /nfs/dbraw/zinc/00/74/71/719007471.db2.gz REJASSGUZRCHBE-VGSWGCGISA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc3c(Cl)ncnc3c1)C2 ZINC001164615944 719007497 /nfs/dbraw/zinc/00/74/97/719007497.db2.gz KBQJZQFMKVKTTR-XMSQKQJNSA-N 1 0 464.944 3.977 20 0 JHADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164624760 719045305 /nfs/dbraw/zinc/04/53/05/719045305.db2.gz OWSKSSACKCGADV-AVRDEDQJSA-N 1 0 462.928 3.825 20 0 JHADRO C[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)[C@H](C)CN1C ZINC001164643612 719229199 /nfs/dbraw/zinc/22/91/99/719229199.db2.gz ZPIZVBDQRPLMTG-QZTJIDSGSA-N 1 0 455.002 3.926 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1 ZINC001164655836 719322285 /nfs/dbraw/zinc/32/22/85/719322285.db2.gz ZLCIOWGADKZMCY-OZXSUGGESA-N 1 0 465.573 3.809 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4cccnc43)CC2)c2ccccc21 ZINC001164680240 719662692 /nfs/dbraw/zinc/66/26/92/719662692.db2.gz DKBPFLAOOMYUDH-GOSISDBHSA-N 1 0 479.028 3.772 20 0 JHADRO COC(=O)c1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1Cl ZINC001164680458 719667930 /nfs/dbraw/zinc/66/79/30/719667930.db2.gz FMHAVTBISLVYIZ-GOSISDBHSA-N 1 0 485.028 3.615 20 0 JHADRO CCOC(=O)c1cc(C)cnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680111 719669118 /nfs/dbraw/zinc/66/91/18/719669118.db2.gz CMUSZNZECVNTJJ-NRFANRHFSA-N 1 0 478.637 3.660 20 0 JHADRO COc1nc(Cl)nc(C)c1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681969 719669318 /nfs/dbraw/zinc/66/93/18/719669318.db2.gz OQNHHLOQLXVTEA-SFHVURJKSA-N 1 0 472.033 3.540 20 0 JHADRO CCOC(=O)c1c(C)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C ZINC001164687113 719671944 /nfs/dbraw/zinc/67/19/44/719671944.db2.gz ZPDOONDIPJOXPK-JOCHJYFZSA-N 1 0 492.664 3.969 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(-c4ncc[nH]4)ccn3)CC2)c2ccccc21 ZINC001164680381 719674524 /nfs/dbraw/zinc/67/45/24/719674524.db2.gz DEYMBAQJRZKCSG-OAQYLSRUSA-N 1 0 458.610 3.565 20 0 JHADRO C[C@H]1CCCN(c2cc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ncn2)C1 ZINC001164680041 719680325 /nfs/dbraw/zinc/68/03/25/719680325.db2.gz AYUAAYJDESYLAT-XZOQPEGZSA-N 1 0 490.696 3.806 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccnc3OC3CCC3)CC2)c2ccccc21 ZINC001164687131 719682053 /nfs/dbraw/zinc/68/20/53/719682053.db2.gz PUWIDARNESCUFE-HXUWFJFHSA-N 1 0 463.626 3.501 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@H]3C)nc1 ZINC001164681971 719692582 /nfs/dbraw/zinc/69/25/82/719692582.db2.gz AXLRICMETZCFRI-NZQKXSOJSA-N 1 0 466.630 3.543 20 0 JHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4ccccc4nc2N2CCOCC2)CC3)cs1 ZINC001164692467 719808681 /nfs/dbraw/zinc/80/86/81/719808681.db2.gz HVVYMCABMLIHTI-UHFFFAOYSA-N 1 0 464.639 3.866 20 0 JHADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)cc2C1 ZINC001164697164 719817249 /nfs/dbraw/zinc/81/72/49/719817249.db2.gz AEWDDHMDSPLDMR-GOSISDBHSA-N 1 0 455.628 3.545 20 0 JHADRO COc1cc2nc(C)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2cc1OC ZINC001164696294 719892623 /nfs/dbraw/zinc/89/26/23/719892623.db2.gz FVRZUFWPGCTYJR-UHFFFAOYSA-N 1 0 454.596 3.888 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164810928 720083606 /nfs/dbraw/zinc/08/36/06/720083606.db2.gz MITBJOIWPGVWNW-AJTFRIOCSA-N 1 0 482.072 3.873 20 0 JHADRO CCOC(=O)c1cnc(Cl)cc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164712626 720094346 /nfs/dbraw/zinc/09/43/46/720094346.db2.gz XIZSZGOIFJLGTH-IBGZPJMESA-N 1 0 458.990 3.814 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cc1C(=O)OC)CC2 ZINC001164714301 720111710 /nfs/dbraw/zinc/11/17/10/720111710.db2.gz BRDYAYWLJSYVNV-GOSISDBHSA-N 1 0 494.970 3.969 20 0 JHADRO CCOC(=O)c1cc2ccnc(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)c2[nH]1 ZINC001164715540 720113011 /nfs/dbraw/zinc/11/30/11/720113011.db2.gz HOSCPBXXMHFFCT-NRFANRHFSA-N 1 0 463.582 3.642 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)CC2 ZINC001164718034 720115248 /nfs/dbraw/zinc/11/52/48/720115248.db2.gz QOUJRDSQPLDHFH-GOSISDBHSA-N 1 0 494.970 3.969 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)NC(C)(C)C)ccn1)CC2 ZINC001164710777 720130595 /nfs/dbraw/zinc/13/05/95/720130595.db2.gz CGGSFSAMPYMJEB-QFIPXVFZSA-N 1 0 451.615 3.512 20 0 JHADRO CCOC(=O)c1cc2ncnc(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)c2s1 ZINC001164714738 720131284 /nfs/dbraw/zinc/13/12/84/720131284.db2.gz YLFFXNWIRAROSM-IBGZPJMESA-N 1 0 481.622 3.771 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)cc3ccccc31)CC2 ZINC001164712254 720145205 /nfs/dbraw/zinc/14/52/05/720145205.db2.gz LYDDYNYLCZLDFO-JOCHJYFZSA-N 1 0 460.578 3.924 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(OC)nc(Cl)n1)CC2 ZINC001164713414 720156591 /nfs/dbraw/zinc/15/65/91/720156591.db2.gz JYIXNCNACQFVDK-KRWDZBQOSA-N 1 0 467.948 3.586 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164714070 720158089 /nfs/dbraw/zinc/15/80/89/720158089.db2.gz OCGBUHPFPNDDAE-GOSISDBHSA-N 1 0 467.664 3.833 20 0 JHADRO Cn1nnc2c1CCN(c1ncc(OCc3ccccc3)cc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717745 720194157 /nfs/dbraw/zinc/19/41/57/720194157.db2.gz WRKBWTNUJLQMJP-HSZRJFAPSA-N 1 0 483.016 3.659 20 0 JHADRO Cn1nnc2c1CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715004 720196266 /nfs/dbraw/zinc/19/62/66/720196266.db2.gz IMMPPSCRIVZADS-NRFANRHFSA-N 1 0 493.612 3.842 20 0 JHADRO Cn1nnc2c1CCN(c1cc(Cl)nc3c(F)ccc(F)c13)[C@H]2COCC[NH+]1CCCC1 ZINC001164719255 720205939 /nfs/dbraw/zinc/20/59/39/720205939.db2.gz PQXHJGJCDPIGCC-SFHVURJKSA-N 1 0 462.932 3.511 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CCC2 ZINC001164812027 720240451 /nfs/dbraw/zinc/24/04/51/720240451.db2.gz ARKDVYZQIALBRB-XMMPIXPASA-N 1 0 486.979 3.732 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)CCC2 ZINC001164813464 720240736 /nfs/dbraw/zinc/24/07/36/720240736.db2.gz OMBJJOHPULXCER-UHFFFAOYSA-N 1 0 489.958 3.544 20 0 JHADRO COc1ccc(Oc2nc(Cl)ncc2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc1 ZINC001164816113 720246342 /nfs/dbraw/zinc/24/63/42/720246342.db2.gz GVTWWSJISIUURM-UHFFFAOYSA-N 1 0 484.988 3.738 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3c(Cl)ncnc3c2)CC1 ZINC001164827344 720302273 /nfs/dbraw/zinc/30/22/73/720302273.db2.gz XAJTYIZHWKSDSZ-WOJBJXKFSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc(Cc3ccccc3)n2)CC1 ZINC001164822005 720311647 /nfs/dbraw/zinc/31/16/47/720311647.db2.gz MGWGGHGFQXRUJP-SFTDATJTSA-N 1 0 454.018 3.632 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)CC1 ZINC001164823959 720316534 /nfs/dbraw/zinc/31/65/34/720316534.db2.gz CALLGJNUBAYXHG-RBUKOAKNSA-N 1 0 481.950 3.879 20 0 JHADRO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2C)cc1 ZINC001164827777 720335722 /nfs/dbraw/zinc/33/57/22/720335722.db2.gz IOWOCZKKKDHMRQ-JWQCQUIFSA-N 1 0 476.621 3.755 20 0 JHADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)o2)cc1 ZINC001164830177 720340977 /nfs/dbraw/zinc/34/09/77/720340977.db2.gz VNPBWRQYUYGNHI-LEWJYISDSA-N 1 0 460.582 3.505 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(-c3nc(-c4cccs4)no3)ccn2)CC1 ZINC001164825245 720345995 /nfs/dbraw/zinc/34/59/95/720345995.db2.gz JCUHQMKTHUGYLD-UXHICEINSA-N 1 0 478.622 3.772 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cncc(OCc3cccc(Cl)c3)n2)CC1 ZINC001164821384 720351584 /nfs/dbraw/zinc/35/15/84/720351584.db2.gz AFNWNPWZFKDQSV-FCHUYYIVSA-N 1 0 470.017 3.621 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cncc(OCc3cccc(Cl)c3)n2)CC1 ZINC001164821392 720351872 /nfs/dbraw/zinc/35/18/72/720351872.db2.gz AFNWNPWZFKDQSV-YADHBBJMSA-N 1 0 470.017 3.621 20 0 JHADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164825872 720353771 /nfs/dbraw/zinc/35/37/71/720353771.db2.gz JTRNJOKXEPTIAE-SFTDATJTSA-N 1 0 486.016 3.842 20 0 JHADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827512 720355730 /nfs/dbraw/zinc/35/57/30/720355730.db2.gz MMEVMOCFYMRAQX-VQTJNVASSA-N 1 0 460.981 3.947 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc3c2CCC3)CC1 ZINC001164828798 720356139 /nfs/dbraw/zinc/35/61/39/720356139.db2.gz PXGMNOIXNPXYDK-VQTJNVASSA-N 1 0 452.977 3.680 20 0 JHADRO Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)O2)n1 ZINC001164827642 720411385 /nfs/dbraw/zinc/41/13/85/720411385.db2.gz GSYODPXXRPLVAI-KSZLIROESA-N 1 0 451.905 3.847 20 0 JHADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735686 720416380 /nfs/dbraw/zinc/41/63/80/720416380.db2.gz XNAROPAAFVEXLF-VASCFYCDSA-N 1 0 463.582 3.501 20 0 JHADRO 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Cc1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164753288 720966090 /nfs/dbraw/zinc/96/60/90/720966090.db2.gz BNQOGSPXEBOGPY-UHFFFAOYSA-N 1 0 482.588 3.961 20 0 JHADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)CC2 ZINC001164754750 720966452 /nfs/dbraw/zinc/96/64/52/720966452.db2.gz WTUPSUFHDNBPRZ-UHFFFAOYSA-N 1 0 493.917 3.928 20 0 JHADRO CC(C)CN1[C@@H]2CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164758933 720972534 /nfs/dbraw/zinc/97/25/34/720972534.db2.gz XFEPVWTULGRBOE-PKTZIBPZSA-N 1 0 484.666 3.753 20 0 JHADRO CC(C)CN1[C@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164759216 720972757 /nfs/dbraw/zinc/97/27/57/720972757.db2.gz YLCUGPCFELLGQV-XZOQPEGZSA-N 1 0 484.666 3.754 20 0 JHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)[C@H]2C ZINC001164858157 721003100 /nfs/dbraw/zinc/00/31/00/721003100.db2.gz IKYYJGMNBKEANI-SFHVURJKSA-N 1 0 495.697 3.630 20 0 JHADRO 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Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164767716 721201978 /nfs/dbraw/zinc/20/19/78/721201978.db2.gz KLAOHWGGUXNRLB-NHCUHLMSSA-N 1 0 491.709 3.858 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccccn5)c(-c5ccccn5)nc4Cl)C[C@@H]3C2)cn1 ZINC001164767260 721243640 /nfs/dbraw/zinc/24/36/40/721243640.db2.gz WNFRBIIABSVRFX-UXHICEINSA-N 1 0 487.011 3.946 20 0 JHADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4cc(OCc5ccccc5)ccc4n3)CC2)C1 ZINC001164872109 721277233 /nfs/dbraw/zinc/27/72/33/721277233.db2.gz AGFHNWIIHZMOMM-UHFFFAOYSA-N 1 0 488.632 3.821 20 0 JHADRO COC(=O)c1ccc2c(ccnc2N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777328 721346821 /nfs/dbraw/zinc/34/68/21/721346821.db2.gz GJAABYRFPNLSNI-AREMUKBSSA-N 1 0 464.566 3.745 20 0 JHADRO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164882522 721348697 /nfs/dbraw/zinc/34/86/97/721348697.db2.gz FSQVXIVGDUHODL-XNMGPUDCSA-N 1 0 468.601 3.617 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)nc1 ZINC001164884647 721361895 /nfs/dbraw/zinc/36/18/95/721361895.db2.gz VZPDNYGWSMZGLX-DEOSSOPVSA-N 1 0 475.641 3.892 20 0 JHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C(C)(C)C)nc4[nH]ccc43)C2)C1 ZINC001164781635 721363166 /nfs/dbraw/zinc/36/31/66/721363166.db2.gz KFUSVZCHBNHFJW-RUZDIDTESA-N 1 0 452.603 3.979 20 0 JHADRO COC(=O)c1cc2ccccc2c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164784174 721367239 /nfs/dbraw/zinc/36/72/39/721367239.db2.gz QNXHODLBUGMQIE-SANMLTNESA-N 1 0 464.566 3.745 20 0 JHADRO COC(=O)c1nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c2ccccc2c1OC ZINC001164787095 721371265 /nfs/dbraw/zinc/37/12/65/721371265.db2.gz YZIJLYGNPWUPRL-HHHXNRCGSA-N 1 0 494.592 3.754 20 0 JHADRO COc1cc(C)c2ncnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164779869 721376719 /nfs/dbraw/zinc/37/67/19/721376719.db2.gz CULLMGRVOQVZHF-VWLOTQADSA-N 1 0 451.571 3.671 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cccnc3)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164780336 721381893 /nfs/dbraw/zinc/38/18/93/721381893.db2.gz GATFLEAJBLVMBQ-WSKLTFMVSA-N 1 0 463.626 3.827 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc5nc(Cl)cnc5cc4Cl)C3)O2)CC1 ZINC001164885092 721405181 /nfs/dbraw/zinc/40/51/81/721405181.db2.gz FMAIUIQIEYIQJC-AOMKIAJQSA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5c(Cl)ccnc54)C3)O2)CC1 ZINC001164888965 721409045 /nfs/dbraw/zinc/40/90/45/721409045.db2.gz PVWNNQGOTKCIGR-ZHRRBRCNSA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5cccc(Cl)c54)C3)O2)CC1 ZINC001164883514 721411055 /nfs/dbraw/zinc/41/10/55/721411055.db2.gz AKOLSJORQHFIMO-ZHRRBRCNSA-N 1 0 450.414 3.702 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc(Cl)c2c1 ZINC001164890288 721438963 /nfs/dbraw/zinc/43/89/63/721438963.db2.gz DDLVNWOORLDCSK-FDDCHVKYSA-N 1 0 496.002 3.602 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c(F)ccc(F)c45)C3)O2)CC1 ZINC001164884881 721451795 /nfs/dbraw/zinc/45/17/95/721451795.db2.gz BQVMZUJRACZBHE-HJPURHCSSA-N 1 0 450.961 3.932 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164885559 721453610 /nfs/dbraw/zinc/45/36/10/721453610.db2.gz FOEJZIVMXTZQOR-VGOFRKELSA-N 1 0 454.993 3.534 20 0 JHADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164887898 721454150 /nfs/dbraw/zinc/45/41/50/721454150.db2.gz KWINDWHNSVGYSE-MHECFPHRSA-N 1 0 462.997 3.801 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH]c(Cl)cc3nc(C(=O)OC)cc1-3)CC2 ZINC001164790066 721463659 /nfs/dbraw/zinc/46/36/59/721463659.db2.gz ZKQBBEGYLFMDDW-SFHVURJKSA-N 1 0 491.032 3.737 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164786588 721463996 /nfs/dbraw/zinc/46/39/96/721463996.db2.gz OPXOEPVSZLIQRM-INIZCTEOSA-N 1 0 477.021 3.698 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164790102 721466823 /nfs/dbraw/zinc/46/68/23/721466823.db2.gz QXDAMGIDTDADFK-IBGZPJMESA-N 1 0 456.656 3.914 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c(cccc3C(=O)OC)n1)CC2 ZINC001164791212 721470327 /nfs/dbraw/zinc/47/03/27/721470327.db2.gz VGLRJQZERINQTM-NRFANRHFSA-N 1 0 467.610 3.755 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164791228 721471256 /nfs/dbraw/zinc/47/12/56/721471256.db2.gz VMFQGZBZHMJEDD-HSZRJFAPSA-N 1 0 458.647 3.780 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)nc1 ZINC001164892551 721471389 /nfs/dbraw/zinc/47/13/89/721471389.db2.gz GJLIZIGLSHIDNH-JOCHJYFZSA-N 1 0 490.608 3.509 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c(C)cc(OC)cc31)CC2 ZINC001164787159 721474507 /nfs/dbraw/zinc/47/45/07/721474507.db2.gz CVCYRGIKPBGAMH-OAQYLSRUSA-N 1 0 454.615 3.681 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)nc1 ZINC001164898825 721495396 /nfs/dbraw/zinc/49/53/96/721495396.db2.gz IIKVKILHDNDDFH-MYDTUXCISA-N 1 0 478.670 3.851 20 0 JHADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)CC2 ZINC001164795043 721498731 /nfs/dbraw/zinc/49/87/31/721498731.db2.gz BMRJKPFMDYZRGX-UHFFFAOYSA-N 1 0 493.633 3.948 20 0 JHADRO CC(C)C(=O)N[C@H]1COCCC12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164899180 721500649 /nfs/dbraw/zinc/50/06/49/721500649.db2.gz WWUFVHGOTGPKBK-VWLOTQADSA-N 1 0 462.638 3.788 20 0 JHADRO CCOC(=O)c1sc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1C ZINC001164896257 721509500 /nfs/dbraw/zinc/50/95/00/721509500.db2.gz ABIJWUDBHNDNHU-FUHWJXTLSA-N 1 0 456.543 3.657 20 0 JHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164899732 721518566 /nfs/dbraw/zinc/51/85/66/721518566.db2.gz LYTWYZPWFVVGNU-SJLPKXTDSA-N 1 0 467.923 3.756 20 0 JHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)CC[N@@H+]3C2)c1 ZINC001164897610 721522909 /nfs/dbraw/zinc/52/29/09/721522909.db2.gz GACGCYBFUYACJT-YPMHNXCESA-N 1 0 469.735 3.861 20 0 JHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4ncn5[C@H]4CCCCO4)CC[N@@H+]3C2)c1 ZINC001164904626 721533123 /nfs/dbraw/zinc/53/31/23/721533123.db2.gz FPXPMHLFYRMTJA-BHIYHBOVSA-N 1 0 472.952 3.660 20 0 JHADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)c1 ZINC001164905207 721543269 /nfs/dbraw/zinc/54/32/69/721543269.db2.gz GOWIVGGEJBEKFP-VQIMIIECSA-N 1 0 459.884 3.937 20 0 JHADRO COc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c(OC)c1 ZINC001164911091 721559476 /nfs/dbraw/zinc/55/94/76/721559476.db2.gz YHRIVFIIUJRBMO-WIYYLYMNSA-N 1 0 450.514 3.642 20 0 JHADRO COc1ccc(CN(C)c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164910359 721563249 /nfs/dbraw/zinc/56/32/49/721563249.db2.gz WJSFYRQSSOULDC-URXFXBBRSA-N 1 0 463.557 3.603 20 0 JHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164803974 721576730 /nfs/dbraw/zinc/57/67/30/721576730.db2.gz KFPONGYOTBYMEO-SDHSZQHLSA-N 1 0 452.562 3.955 20 0 JHADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906546 721691624 /nfs/dbraw/zinc/69/16/24/721691624.db2.gz NJUCKAKMVRFNTQ-IBGZPJMESA-N 1 0 472.918 3.874 20 0 JHADRO FC1(F)CCN(c2ncnc3cc4c(cc32)OCCO4)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905405 721691952 /nfs/dbraw/zinc/69/19/52/721691952.db2.gz JBUCAEXTLSAXHZ-HSZRJFAPSA-N 1 0 453.493 3.534 20 0 JHADRO COc1nc(-c2ccccc2)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908701 721711313 /nfs/dbraw/zinc/71/13/13/721711313.db2.gz YRBHTVVRDZTCOW-HSZRJFAPSA-N 1 0 452.509 3.680 20 0 JHADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905989 721717321 /nfs/dbraw/zinc/71/73/21/721717321.db2.gz JEVYNOXHBLMONA-DEOSSOPVSA-N 1 0 473.568 3.691 20 0 JHADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1C ZINC001165011480 721745370 /nfs/dbraw/zinc/74/53/70/721745370.db2.gz XTYPZQILGMHIBG-UHFFFAOYSA-N 1 0 484.714 3.817 20 0 JHADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)n1 ZINC001165015974 721766526 /nfs/dbraw/zinc/76/65/26/721766526.db2.gz UOGGDFBBUNHNPA-UHFFFAOYSA-N 1 0 491.669 3.968 20 0 JHADRO c1cnn(CCCO[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001165019333 721780133 /nfs/dbraw/zinc/78/01/33/721780133.db2.gz KCZYGTITVFJNDO-REUBFRLUSA-N 1 0 473.621 3.680 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc1 ZINC001164913210 721799769 /nfs/dbraw/zinc/79/97/69/721799769.db2.gz BGIRKPDNFRRFJK-VPUSJEBWSA-N 1 0 465.642 3.521 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)c(S(C)(=O)=O)c3)C[C@@H]21 ZINC001165028170 721832346 /nfs/dbraw/zinc/83/23/46/721832346.db2.gz USUMUDVWRXAVFC-ZYSHUDEJSA-N 1 0 485.000 3.815 20 0 JHADRO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164923387 721837533 /nfs/dbraw/zinc/83/75/33/721837533.db2.gz KDDXINNSHINXSA-AUSIDOKSSA-N 1 0 490.986 3.711 20 0 JHADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164934573 721879783 /nfs/dbraw/zinc/87/97/83/721879783.db2.gz SDKNBJQEYXDHBH-LEWJYISDSA-N 1 0 468.715 3.771 20 0 JHADRO COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c(Cl)nn2)c1 ZINC001164933551 721889774 /nfs/dbraw/zinc/88/97/74/721889774.db2.gz MRHTZLWOQWLIFY-UXHICEINSA-N 1 0 451.949 3.565 20 0 JHADRO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164943951 721933692 /nfs/dbraw/zinc/93/36/92/721933692.db2.gz QAXRLAAVJBEQHL-SFHVURJKSA-N 1 0 458.990 3.586 20 0 JHADRO COC[C@]12COC[C@H]1CN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)C2 ZINC001164952076 721994441 /nfs/dbraw/zinc/99/44/41/721994441.db2.gz OEOOLUFJALQYPS-CJFMBICVSA-N 1 0 470.013 3.856 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cscn3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164950849 722001760 /nfs/dbraw/zinc/00/17/60/722001760.db2.gz KLWMYXUGJJLCHK-NQAVQENRSA-N 1 0 455.628 3.641 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cscn3)[C@H]3OCCC[C@H]32)nc1 ZINC001164950847 722001842 /nfs/dbraw/zinc/00/18/42/722001842.db2.gz KLWMYXUGJJLCHK-BWKHYTDRSA-N 1 0 455.628 3.641 20 0 JHADRO Cc1cc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc(N3CCOCC3)c2s1 ZINC001164956070 722019472 /nfs/dbraw/zinc/01/94/72/722019472.db2.gz VZLWGVXDLWPJSQ-UHFFFAOYSA-N 1 0 464.639 3.724 20 0 JHADRO COc1ccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164958698 722051714 /nfs/dbraw/zinc/05/17/14/722051714.db2.gz FEVPBWADSZQOCQ-UHFFFAOYSA-N 1 0 453.974 3.806 20 0 JHADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959434 722053293 /nfs/dbraw/zinc/05/32/93/722053293.db2.gz JGPAQYNRIVJBTK-UHFFFAOYSA-N 1 0 493.002 3.789 20 0 JHADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963849 722055836 /nfs/dbraw/zinc/05/58/36/722055836.db2.gz NXNSLZMSPPFTJO-UHFFFAOYSA-N 1 0 492.045 3.543 20 0 JHADRO CSc1nc(Cl)cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979935 722102533 /nfs/dbraw/zinc/10/25/33/722102533.db2.gz IJSUMTPQKVRXPO-HOTGVXAUSA-N 1 0 455.962 3.519 20 0 JHADRO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2n1 ZINC001164975556 722107524 /nfs/dbraw/zinc/10/75/24/722107524.db2.gz CNEPLOYUZTYMCF-ZIAGYGMSSA-N 1 0 480.787 3.502 20 0 JHADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980314 722133509 /nfs/dbraw/zinc/13/35/09/722133509.db2.gz MRORRJGGPOWADL-UWJYYQICSA-N 1 0 475.927 3.830 20 0 JHADRO O=C(NC1CCCC1)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164985479 722143857 /nfs/dbraw/zinc/14/38/57/722143857.db2.gz ZPOZKSBFSBZLDD-CVDCTZTESA-N 1 0 470.017 3.530 20 0 JHADRO COc1ccc(Oc2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(C)n2)cc1 ZINC001164972478 722153028 /nfs/dbraw/zinc/15/30/28/722153028.db2.gz IAEPDGCAKQZGPF-XUZZJYLKSA-N 1 0 461.566 3.708 20 0 JHADRO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2C)cc1 ZINC001164973891 722153359 /nfs/dbraw/zinc/15/33/59/722153359.db2.gz NLJVXSCPFPFPQF-SQHAQQRYSA-N 1 0 473.621 3.815 20 0 JHADRO Clc1cccc(COc2cncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164976243 722153928 /nfs/dbraw/zinc/15/39/28/722153928.db2.gz VSWYMMQFGGYQMI-GMAHTHKFSA-N 1 0 465.985 3.831 20 0 JHADRO CCOC(=O)c1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1C(=O)OCC ZINC001164996127 722213787 /nfs/dbraw/zinc/21/37/87/722213787.db2.gz LRQDAWPODIHLHZ-RUZDIDTESA-N 1 0 455.530 3.819 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1nc3ccccc3nc1Cl)CCC2 ZINC001165001537 722254853 /nfs/dbraw/zinc/25/48/53/722254853.db2.gz BFEOMJLETHRPLX-UHFFFAOYSA-N 1 0 450.921 3.513 20 0 JHADRO C[C@](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)(c1ccc(F)cc1)C(F)(F)F ZINC001311275533 1069313364 /nfs/dbraw/zinc/31/33/64/1069313364.db2.gz WVQIYONMMQAVHK-XJABCFGWSA-N 1 0 453.480 3.785 20 0 JHADRO Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1S(=O)(=O)N(C)C ZINC001311279474 1069314311 /nfs/dbraw/zinc/31/43/11/1069314311.db2.gz OJGOBNHALXZKSW-JXFKEZNVSA-N 1 0 450.630 3.511 20 0 JHADRO Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1S(=O)(=O)N(C)C ZINC001311279485 1069314337 /nfs/dbraw/zinc/31/43/37/1069314337.db2.gz OJGOBNHALXZKSW-UZLBHIALSA-N 1 0 450.630 3.511 20 0 JHADRO Cc1cc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccc1S(=O)(=O)N(C)C ZINC001311281047 1069314396 /nfs/dbraw/zinc/31/43/96/1069314396.db2.gz WOJPGTGDSWUQHE-IBGZPJMESA-N 1 0 458.628 3.941 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(SC)CC[NH+](C)CC2)CCO1 ZINC001306623717 1069316271 /nfs/dbraw/zinc/31/62/71/1069316271.db2.gz VCWJWZJCWIWSQA-HXUWFJFHSA-N 1 0 489.686 3.795 20 0 JHADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)Nc3ccnn3[C@@H]3CCCOC3)cc2)C[C@H]1C ZINC001311292640 1069318631 /nfs/dbraw/zinc/31/86/31/1069318631.db2.gz MCPWDHJFFHTHHN-KCZVDYSFSA-N 1 0 455.603 3.565 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306626647 1069322014 /nfs/dbraw/zinc/32/20/14/1069322014.db2.gz JAQCNSHXUBUTPC-WXVAWEFUSA-N 1 0 487.664 3.886 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306626645 1069322170 /nfs/dbraw/zinc/32/21/70/1069322170.db2.gz JAQCNSHXUBUTPC-AMGIVPHBSA-N 1 0 487.664 3.886 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@H]2CC(F)(F)CO2)CC[N@@H+]1CCOC ZINC001306627479 1069324117 /nfs/dbraw/zinc/32/41/17/1069324117.db2.gz UOWYFNFPEXBMKU-FGZHOGPDSA-N 1 0 477.600 3.539 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCCO2)CC[N@@H+]1CCOC ZINC001306627852 1069325198 /nfs/dbraw/zinc/32/51/98/1069325198.db2.gz VOGPXZCDBRYRMH-RPWUZVMVSA-N 1 0 455.647 3.684 20 0 JHADRO CCC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001306628127 1069325426 /nfs/dbraw/zinc/32/54/26/1069325426.db2.gz CKBSAUYSYPRSOK-UKILVPOCSA-N 1 0 485.673 3.836 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2nc3cc(OC)ccc3n2C)CC[N@@H+]1CCOC ZINC001306630151 1069329660 /nfs/dbraw/zinc/32/96/60/1069329660.db2.gz NQQWZFQZLNZOOY-HXUWFJFHSA-N 1 0 497.688 3.747 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2sc(C)nc2C)CC[N@@H+]1CCOC ZINC001306631085 1069330997 /nfs/dbraw/zinc/33/09/97/1069330997.db2.gz YCELKBKCYHZNQO-HXUWFJFHSA-N 1 0 489.715 3.693 20 0 JHADRO COc1ccc([C@H](CNC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)[NH+]2CCCCC2)cc1 ZINC001311350413 1069336469 /nfs/dbraw/zinc/33/64/69/1069336469.db2.gz SCEFTMIGDIRTMU-IBGZPJMESA-N 1 0 455.584 3.774 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N2CCC(Oc3ncc(C)cn3)CC2)[NH+]2CCCCC2)cc1 ZINC001311350791 1069337293 /nfs/dbraw/zinc/33/72/93/1069337293.db2.gz VGMFYXVDPJZOPX-HSZRJFAPSA-N 1 0 453.587 3.574 20 0 JHADRO CCOc1ncccc1CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001311354705 1069339096 /nfs/dbraw/zinc/33/90/96/1069339096.db2.gz WZNVHKKKEDIMKH-LOSJGSFVSA-N 1 0 460.578 3.956 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(O)cc2)CC[N@@H+]1CCOC ZINC001306634399 1069339413 /nfs/dbraw/zinc/33/94/13/1069339413.db2.gz IBPITVNTUBUIAW-QPTUXGOLSA-N 1 0 485.673 3.888 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001306634752 1069340424 /nfs/dbraw/zinc/34/04/24/1069340424.db2.gz ZSUMAYBJYPSEBR-FCHUYYIVSA-N 1 0 471.646 3.991 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001306635245 1069341561 /nfs/dbraw/zinc/34/15/61/1069341561.db2.gz OOOKMXPFIORPSX-PMACEKPBSA-N 1 0 476.666 3.840 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC001311360648 1069344653 /nfs/dbraw/zinc/34/46/53/1069344653.db2.gz USBDVJONHPIYDS-JQVVWYNYSA-N 1 0 455.624 3.535 20 0 JHADRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC001311361724 1069344991 /nfs/dbraw/zinc/34/49/91/1069344991.db2.gz WEQGOHVYLWNRMF-OPYAIIAOSA-N 1 0 455.018 3.613 20 0 JHADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(NC(=O)CCCOc4ccccc4)cc3)CC[C@@H]21 ZINC001311364020 1069346435 /nfs/dbraw/zinc/34/64/35/1069346435.db2.gz XEGSDZZHZTVBSI-QPPBQGQZSA-N 1 0 450.583 3.720 20 0 JHADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(c2ccc(Br)cc2)CC1 ZINC001311368926 1069347158 /nfs/dbraw/zinc/34/71/58/1069347158.db2.gz AITZRDRPCVYXQN-UHFFFAOYSA-N 1 0 457.416 3.945 20 0 JHADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CCC1 ZINC001311367961 1069347341 /nfs/dbraw/zinc/34/73/41/1069347341.db2.gz CPNRKKIOXZVDSD-XMMPIXPASA-N 1 0 454.590 3.553 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccs1 ZINC001311374617 1069349759 /nfs/dbraw/zinc/34/97/59/1069349759.db2.gz NGKFPESLQNSGDV-UNMCSNQZSA-N 1 0 457.621 3.843 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2Cc2cnc(C)s2)CC[N@@H+]1CCOC ZINC001306644071 1069354998 /nfs/dbraw/zinc/35/49/98/1069354998.db2.gz JEKFDVNVWQLWRO-LJQANCHMSA-N 1 0 470.643 3.704 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)NCCc3cccc(Br)c3)CC2)c1 ZINC001311382600 1069355042 /nfs/dbraw/zinc/35/50/42/1069355042.db2.gz ZGGMXNKZIPTLNT-UHFFFAOYSA-N 1 0 459.432 3.812 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCSC(F)(F)F)CC[N@@H+]1CCOC ZINC001306645644 1069357529 /nfs/dbraw/zinc/35/75/29/1069357529.db2.gz LOEJXNLFNIXCFN-MRXNPFEDSA-N 1 0 458.554 3.530 20 0 JHADRO Cc1cccc([C@H](CNC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)N2CCOCC2)c1 ZINC001311389781 1069357531 /nfs/dbraw/zinc/35/75/31/1069357531.db2.gz AKLKFWATCHHOIK-UIOOFZCWSA-N 1 0 452.643 3.824 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1)Cc1ccccc1 ZINC001311391351 1069358653 /nfs/dbraw/zinc/35/86/53/1069358653.db2.gz FLQMEMQRXPSTRD-RPBOFIJWSA-N 1 0 450.627 3.934 20 0 JHADRO CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001306647567 1069359399 /nfs/dbraw/zinc/35/93/99/1069359399.db2.gz MTWHXZNHIJCDRG-IBGZPJMESA-N 1 0 451.619 3.957 20 0 JHADRO CC(C)[C@@H](CNC(=O)NCc1cc(Br)c2c(c1)OCCO2)[NH+]1CCC(C)CC1 ZINC001311397722 1069361431 /nfs/dbraw/zinc/36/14/31/1069361431.db2.gz WKHDLQFXHOGNDD-GOSISDBHSA-N 1 0 454.409 3.776 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)OC)CC[N@@H+]1CCOC ZINC001306649566 1069361535 /nfs/dbraw/zinc/36/15/35/1069361535.db2.gz VKVJVQCGGIQKNJ-SFHVURJKSA-N 1 0 450.027 3.961 20 0 JHADRO CN1CCO[C@H]([C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001311405058 1069363902 /nfs/dbraw/zinc/36/39/02/1069363902.db2.gz IBHWHUKEOOMNOD-KMDXXIMOSA-N 1 0 457.018 3.848 20 0 JHADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC001311406903 1069365092 /nfs/dbraw/zinc/36/50/92/1069365092.db2.gz XITYJPKQTIPYPB-UXHICEINSA-N 1 0 452.521 3.685 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1)c1ccccc1 ZINC001311417913 1069367972 /nfs/dbraw/zinc/36/79/72/1069367972.db2.gz GAKGSPJYAVCDHE-GOSISDBHSA-N 1 0 459.616 3.538 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC001306658166 1069373340 /nfs/dbraw/zinc/37/33/40/1069373340.db2.gz LUEKFPNKSCWRNH-JOCHJYFZSA-N 1 0 456.635 3.930 20 0 JHADRO Cn1cc(CCNC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c2ccc(Cl)cc21 ZINC001311422916 1069370827 /nfs/dbraw/zinc/37/08/27/1069370827.db2.gz LSNVTRZOAHOYGD-UHFFFAOYSA-N 1 0 454.018 3.886 20 0 JHADRO CC1CC[NH+](CCCCNC(=O)N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC001311428245 1069375127 /nfs/dbraw/zinc/37/51/27/1069375127.db2.gz DOZGFDIQGZIWIX-UHFFFAOYSA-N 1 0 452.599 3.527 20 0 JHADRO CC1CC[NH+](CCCCNC(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)CC1 ZINC001311428684 1069375863 /nfs/dbraw/zinc/37/58/63/1069375863.db2.gz HNGYDBBPXGWGAN-NHCUHLMSSA-N 1 0 468.564 3.745 20 0 JHADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)C1 ZINC001311430180 1069376502 /nfs/dbraw/zinc/37/65/02/1069376502.db2.gz IKLXICTZYXKFLH-FQEVSTJZSA-N 1 0 454.656 3.604 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCCCCC2)CC1 ZINC001306659367 1069376626 /nfs/dbraw/zinc/37/66/26/1069376626.db2.gz JNYXNRLDZCXLDK-QHCPKHFHSA-N 1 0 474.694 3.919 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306660002 1069378166 /nfs/dbraw/zinc/37/81/66/1069378166.db2.gz FWBCGHYCXDRKII-OAQYLSRUSA-N 1 0 481.689 3.903 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001311447767 1069383317 /nfs/dbraw/zinc/38/33/17/1069383317.db2.gz LCIDPDPEOPFBMB-FNAHDJPLSA-N 1 0 460.594 3.845 20 0 JHADRO COC(=O)Nc1ccc(CNC(=O)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001311463392 1069390244 /nfs/dbraw/zinc/39/02/44/1069390244.db2.gz WRBOFSHGLKXSFW-KDURUIRLSA-N 1 0 454.571 3.816 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001306664837 1069390420 /nfs/dbraw/zinc/39/04/20/1069390420.db2.gz KJHPZAHDZANSBX-PKTZIBPZSA-N 1 0 474.694 3.521 20 0 JHADRO C[C@@H](NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311482041 1069398205 /nfs/dbraw/zinc/39/82/05/1069398205.db2.gz FARZGINBIBFPPL-NTKDMRAZSA-N 1 0 450.583 3.943 20 0 JHADRO O=C(NCCCCc1ccccc1)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001311472973 1069395150 /nfs/dbraw/zinc/39/51/50/1069395150.db2.gz ILAUEJIZHMCWPJ-UHFFFAOYSA-N 1 0 450.627 3.680 20 0 JHADRO CCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001306675255 1069399989 /nfs/dbraw/zinc/39/99/89/1069399989.db2.gz QTFITJGDQHTBIX-SFTDATJTSA-N 1 0 478.682 3.943 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nccs2)CC1 ZINC001306678957 1069403688 /nfs/dbraw/zinc/40/36/88/1069403688.db2.gz HMQPNWOTUGMWBP-UHFFFAOYSA-N 1 0 456.664 3.593 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCCCC2)CC1 ZINC001306678923 1069403750 /nfs/dbraw/zinc/40/37/50/1069403750.db2.gz FYWDBWUPKIHUBZ-QFIPXVFZSA-N 1 0 465.708 3.709 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(C)o3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001306679301 1069404260 /nfs/dbraw/zinc/40/42/60/1069404260.db2.gz HBCHOHVARMBGAC-UHFFFAOYSA-N 1 0 477.675 3.762 20 0 JHADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H]3C[C@H]3c3ccccc3Br)cc2)CC1 ZINC001311496091 1069406291 /nfs/dbraw/zinc/40/62/91/1069406291.db2.gz MOCDOMNSMBTFSP-RBBKRZOGSA-N 1 0 457.416 3.552 20 0 JHADRO CN(C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001311496420 1069406368 /nfs/dbraw/zinc/40/63/68/1069406368.db2.gz MYVGHIAOKJREBF-LOSJGSFVSA-N 1 0 450.627 3.822 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)NC2CCCCC2)CC1 ZINC001306680724 1069407727 /nfs/dbraw/zinc/40/77/27/1069407727.db2.gz ZVMLXBILVUXMHA-UHFFFAOYSA-N 1 0 455.651 3.670 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 ZINC001306681508 1069410361 /nfs/dbraw/zinc/41/03/61/1069410361.db2.gz MERNYFFUVYNLNQ-LJQANCHMSA-N 1 0 459.982 3.600 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(Cn2cncn2)CC1 ZINC001306681645 1069411254 /nfs/dbraw/zinc/41/12/54/1069411254.db2.gz QBNJJNOJGBRACO-UHFFFAOYSA-N 1 0 457.026 3.839 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CCC)C1 ZINC001306680818 1069408556 /nfs/dbraw/zinc/40/85/56/1069408556.db2.gz GUIUUTBIYKLGMF-GOSISDBHSA-N 1 0 467.456 3.783 20 0 JHADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)cc2)C1 ZINC001311499532 1069408632 /nfs/dbraw/zinc/40/86/32/1069408632.db2.gz YUICGUHRNNPANY-VGOFRKELSA-N 1 0 456.537 3.801 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001306682138 1069412647 /nfs/dbraw/zinc/41/26/47/1069412647.db2.gz AIWOXEKWZIPCPS-UHFFFAOYSA-N 1 0 477.535 3.921 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306682638 1069413824 /nfs/dbraw/zinc/41/38/24/1069413824.db2.gz KFCQTZKZOOZKHY-HNNXBMFYSA-N 1 0 454.402 3.983 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001306682607 1069414007 /nfs/dbraw/zinc/41/40/07/1069414007.db2.gz JIEPCRHRROHWPF-KNQAVFIVSA-N 1 0 457.619 3.700 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001306683254 1069415905 /nfs/dbraw/zinc/41/59/05/1069415905.db2.gz WFCGOHLDSMTIAU-LJQANCHMSA-N 1 0 457.579 3.663 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001306684241 1069419480 /nfs/dbraw/zinc/41/94/80/1069419480.db2.gz JBPSGJIPJBQXEY-GOSISDBHSA-N 1 0 460.623 3.522 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@H](C)CC1 ZINC001306684930 1069420143 /nfs/dbraw/zinc/42/01/43/1069420143.db2.gz UADXCERCHQWEQV-LJQANCHMSA-N 1 0 451.619 3.550 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC001306685457 1069420847 /nfs/dbraw/zinc/42/08/47/1069420847.db2.gz DZAXUSJOOBHISX-ACRUOGEOSA-N 1 0 478.682 3.943 20 0 JHADRO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC001311526290 1069423332 /nfs/dbraw/zinc/42/33/32/1069423332.db2.gz WSWPKHJYCVZKBM-YADARESESA-N 1 0 452.599 3.627 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001306687531 1069424587 /nfs/dbraw/zinc/42/45/87/1069424587.db2.gz KXBOTFNNVKUQJQ-UHFFFAOYSA-N 1 0 494.688 3.643 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001311529046 1069424589 /nfs/dbraw/zinc/42/45/89/1069424589.db2.gz GSNBRCULFZWCEA-DENIHFKCSA-N 1 0 465.516 3.921 20 0 JHADRO CC(C)C[NH+]1CCC(NC(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)CC1 ZINC001311529719 1069425231 /nfs/dbraw/zinc/42/52/31/1069425231.db2.gz DAATUFMSSKCTJP-FQEVSTJZSA-N 1 0 450.546 3.738 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1C ZINC001306688589 1069425764 /nfs/dbraw/zinc/42/57/64/1069425764.db2.gz QANAEALXUNZRNQ-NRFANRHFSA-N 1 0 488.681 3.760 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001306688946 1069425804 /nfs/dbraw/zinc/42/58/04/1069425804.db2.gz SCNOTVWVBFPCJP-KRWDZBQOSA-N 1 0 488.549 3.952 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001306688733 1069425947 /nfs/dbraw/zinc/42/59/47/1069425947.db2.gz VEDXUYYEFUFITG-DHIUTWEWSA-N 1 0 488.721 3.767 20 0 JHADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCN2C(=O)COc3ccccc32)cc1 ZINC001311536789 1069428389 /nfs/dbraw/zinc/42/83/89/1069428389.db2.gz PXMMZOWIRKKCIM-UHFFFAOYSA-N 1 0 458.562 3.640 20 0 JHADRO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001306692628 1069429898 /nfs/dbraw/zinc/42/98/98/1069429898.db2.gz OITOVKNCWXRMML-IBGZPJMESA-N 1 0 451.619 3.550 20 0 JHADRO CCCCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C(C)C ZINC001306694583 1069431329 /nfs/dbraw/zinc/43/13/29/1069431329.db2.gz JBNQOJZPSYPXJB-IBGZPJMESA-N 1 0 452.644 3.553 20 0 JHADRO CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001306703124 1069438973 /nfs/dbraw/zinc/43/89/73/1069438973.db2.gz IUOYUULQZXDVIT-HXUWFJFHSA-N 1 0 489.462 3.559 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1)Cc1ccccc1 ZINC001311570227 1069442762 /nfs/dbraw/zinc/44/27/62/1069442762.db2.gz HDEQUUXSWVJSBZ-IBGZPJMESA-N 1 0 450.505 3.826 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1Cl ZINC001311570107 1069442812 /nfs/dbraw/zinc/44/28/12/1069442812.db2.gz XKOKVBHVFWPNSA-VGOFRKELSA-N 1 0 455.990 3.821 20 0 JHADRO COc1cccc([C@H](CNC(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)[NH+](C)C)c1 ZINC001311571327 1069443443 /nfs/dbraw/zinc/44/34/43/1069443443.db2.gz PNYGMJMBPMXNNV-NGXZDTIWSA-N 1 0 455.599 3.923 20 0 JHADRO CCCCn1c(CSc2ccccc2OC)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001306717603 1069448795 /nfs/dbraw/zinc/44/87/95/1069448795.db2.gz UOCMQQFMZYMCGB-UHFFFAOYSA-N 1 0 459.660 3.928 20 0 JHADRO O=C(NCc1ccc(CN2CCNC2=O)cc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001311584209 1069450673 /nfs/dbraw/zinc/45/06/73/1069450673.db2.gz WKDUITQORISGNJ-QFIPXVFZSA-N 1 0 455.990 3.502 20 0 JHADRO CCOC(=O)c1cnn(C2CCN(C(=O)NCc3ccc(C[NH+](CC)CC)cc3)CC2)c1C ZINC001311588079 1069452417 /nfs/dbraw/zinc/45/24/17/1069452417.db2.gz JWOLIOSJSVNUTE-UHFFFAOYSA-N 1 0 455.603 3.757 20 0 JHADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cc1 ZINC001311588266 1069452420 /nfs/dbraw/zinc/45/24/20/1069452420.db2.gz KENPGUDDKMKWCS-HSZRJFAPSA-N 1 0 458.628 3.644 20 0 JHADRO COc1ccc(C2=NO[C@H](CNC(=O)NCc3ccccc3C[NH+]3CCCCC3)C2)cc1C ZINC001311589322 1069453150 /nfs/dbraw/zinc/45/31/50/1069453150.db2.gz AXFZKHXTFLQZBG-QHCPKHFHSA-N 1 0 450.583 3.982 20 0 JHADRO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001311595947 1069457530 /nfs/dbraw/zinc/45/75/30/1069457530.db2.gz YWVHZMOGQJUMDU-ZEQKJWHPSA-N 1 0 450.627 3.674 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001306721539 1069457918 /nfs/dbraw/zinc/45/79/18/1069457918.db2.gz BDKJANNNLJKLNI-JAXLGGSGSA-N 1 0 486.636 3.879 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 ZINC001306721573 1069458535 /nfs/dbraw/zinc/45/85/35/1069458535.db2.gz BTVPBJIMXPBKCZ-UEQSERJNSA-N 1 0 460.711 3.993 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@H](N2CCOCC2)[C@@H](CC)C1 ZINC001306721572 1069458546 /nfs/dbraw/zinc/45/85/46/1069458546.db2.gz BTVPBJIMXPBKCZ-QPXUXIHVSA-N 1 0 460.711 3.993 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC001311605545 1069459740 /nfs/dbraw/zinc/45/97/40/1069459740.db2.gz STLWKAVFSDVUCU-VJBMBRPKSA-N 1 0 474.646 3.819 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001306722456 1069460258 /nfs/dbraw/zinc/46/02/58/1069460258.db2.gz LNZMWAUZRGDKGZ-WIYYLYMNSA-N 1 0 459.038 3.920 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001306722678 1069460922 /nfs/dbraw/zinc/46/09/22/1069460922.db2.gz KBWZEYAOGZAGPY-VXKWHMMOSA-N 1 0 452.647 4.000 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(CC)CC ZINC001306722651 1069461057 /nfs/dbraw/zinc/46/10/57/1069461057.db2.gz JRGONKJJRKKWOR-IBGZPJMESA-N 1 0 451.619 3.693 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306722579 1069461141 /nfs/dbraw/zinc/46/11/41/1069461141.db2.gz JDRWWGDMYXFTCH-JOCHJYFZSA-N 1 0 481.689 3.998 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H](C)CC(N)=O ZINC001306723202 1069462962 /nfs/dbraw/zinc/46/29/62/1069462962.db2.gz OVRCJFMRTCVPLO-FPOVZHCZSA-N 1 0 463.630 3.848 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC001306723349 1069463615 /nfs/dbraw/zinc/46/36/15/1069463615.db2.gz RTGFWLFWHNMNFW-RTWAWAEBSA-N 1 0 472.682 3.885 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001306723561 1069464001 /nfs/dbraw/zinc/46/40/01/1069464001.db2.gz UHOVQETYYDNKDW-CLOONOSVSA-N 1 0 489.064 3.963 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001306725683 1069467016 /nfs/dbraw/zinc/46/70/16/1069467016.db2.gz GPTYOLUBLARRSO-BHDDXSALSA-N 1 0 476.666 3.542 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[C@@H]1C(F)(F)F ZINC001311616702 1069468254 /nfs/dbraw/zinc/46/82/54/1069468254.db2.gz JWBHSACKHQCBLT-JKSUJKDBSA-N 1 0 450.546 3.736 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001306726229 1069468916 /nfs/dbraw/zinc/46/89/16/1069468916.db2.gz KOJKZLLSJRLKCA-SIKLNZKXSA-N 1 0 473.065 3.844 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001306726449 1069469427 /nfs/dbraw/zinc/46/94/27/1069469427.db2.gz MMVUEFHRDFQURS-JOCHJYFZSA-N 1 0 456.610 3.597 20 0 JHADRO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cc2c(cc1Br)OCCO2 ZINC001311617820 1069469448 /nfs/dbraw/zinc/46/94/48/1069469448.db2.gz QNHZPSAPEIHNKJ-JKSUJKDBSA-N 1 0 452.393 3.941 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC(=O)NC)CC1 ZINC001306726416 1069469442 /nfs/dbraw/zinc/46/94/42/1069469442.db2.gz LVTUPEGPEVQEJQ-QFIPXVFZSA-N 1 0 487.718 3.641 20 0 JHADRO C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311618968 1069469911 /nfs/dbraw/zinc/46/99/11/1069469911.db2.gz JJQJEVQWRFDCEI-AVRDEDQJSA-N 1 0 454.546 3.627 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001306729560 1069478642 /nfs/dbraw/zinc/47/86/42/1069478642.db2.gz KZLDAGXWVZAIGX-YADHBBJMSA-N 1 0 490.693 3.615 20 0 JHADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)C1 ZINC001311633352 1069480426 /nfs/dbraw/zinc/48/04/26/1069480426.db2.gz JEERJDSEODXFQU-XMMPIXPASA-N 1 0 452.599 3.890 20 0 JHADRO CC(C)N1C(=O)C[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001311639104 1069484398 /nfs/dbraw/zinc/48/43/98/1069484398.db2.gz VXEULIUBWXQGOE-BUVFEPMLSA-N 1 0 453.002 3.951 20 0 JHADRO CC(C)N1C(=O)C[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001311639105 1069484400 /nfs/dbraw/zinc/48/44/00/1069484400.db2.gz VXEULIUBWXQGOE-CNDZOEFASA-N 1 0 453.002 3.951 20 0 JHADRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC001311640277 1069485323 /nfs/dbraw/zinc/48/53/23/1069485323.db2.gz NPWCLYMRCJPRJB-GOSISDBHSA-N 1 0 456.562 3.674 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001306731621 1069486968 /nfs/dbraw/zinc/48/69/68/1069486968.db2.gz RVAFJECFQHKHSW-AFXVXQJMSA-N 1 0 477.694 3.908 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001306732181 1069488782 /nfs/dbraw/zinc/48/87/82/1069488782.db2.gz VGEHFZIXXUGZDS-NRFANRHFSA-N 1 0 474.694 3.839 20 0 JHADRO C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)([NH+](C)C)C1 ZINC001311658168 1069491258 /nfs/dbraw/zinc/49/12/58/1069491258.db2.gz VGOWHTURUJWSKX-VWKPWSFCSA-N 1 0 458.416 3.549 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306733563 1069493889 /nfs/dbraw/zinc/49/38/89/1069493889.db2.gz KLWKNGBIXFPWTC-TZRRMPRUSA-N 1 0 495.716 3.906 20 0 JHADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC001311671110 1069497450 /nfs/dbraw/zinc/49/74/50/1069497450.db2.gz PLLATWRVTIGNCM-FGTMMUONSA-N 1 0 458.582 3.601 20 0 JHADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001311670752 1069497460 /nfs/dbraw/zinc/49/74/60/1069497460.db2.gz GZSGPUKPKQLXMQ-XOPFUANDSA-N 1 0 468.564 3.599 20 0 JHADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC001311671111 1069497479 /nfs/dbraw/zinc/49/74/79/1069497479.db2.gz PLLATWRVTIGNCM-KSZLIROESA-N 1 0 458.582 3.601 20 0 JHADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001311671789 1069497891 /nfs/dbraw/zinc/49/78/91/1069497891.db2.gz GEGROBPPKJRSEG-RDGPPVDQSA-N 1 0 451.453 3.941 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001306736917 1069504508 /nfs/dbraw/zinc/50/45/08/1069504508.db2.gz VJLDQNYCJXFRII-ZJSXRUAMSA-N 1 0 481.689 3.983 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CC=CCC2)C1 ZINC001306738417 1069509584 /nfs/dbraw/zinc/50/95/84/1069509584.db2.gz ZTCRCNRVQNBYSO-FCHUYYIVSA-N 1 0 480.657 3.737 20 0 JHADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC001311713810 1069515092 /nfs/dbraw/zinc/51/50/92/1069515092.db2.gz HWTJUOOZISVRJA-UHFFFAOYSA-N 1 0 452.020 3.797 20 0 JHADRO CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H](C)COc3ccccc3C(F)(F)F)CC2)CC1 ZINC001311712526 1069514562 /nfs/dbraw/zinc/51/45/62/1069514562.db2.gz LSDOQLWPORCSHF-GOSISDBHSA-N 1 0 456.553 3.673 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001306741414 1069517537 /nfs/dbraw/zinc/51/75/37/1069517537.db2.gz BHGFOBSYTQJTOR-GOTSBHOMSA-N 1 0 481.689 3.517 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718801 1069517920 /nfs/dbraw/zinc/51/79/20/1069517920.db2.gz JKKQOWWIDZHXLW-UGNRZPKXSA-N 1 0 458.569 3.885 20 0 JHADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001311728538 1069524542 /nfs/dbraw/zinc/52/45/42/1069524542.db2.gz YKUNMAXOIKVLTA-HCGLCNNCSA-N 1 0 455.624 3.867 20 0 JHADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NCc1ccncc1OC[C@@H]1CCOC1 ZINC001311728833 1069524673 /nfs/dbraw/zinc/52/46/73/1069524673.db2.gz XEMYTXLYUDKVLJ-HSZRJFAPSA-N 1 0 452.599 3.872 20 0 JHADRO COc1ccc([C@H](C)NC(=O)NCc2ccccc2OCC[NH+](C)C)c(Br)c1 ZINC001311726441 1069523073 /nfs/dbraw/zinc/52/30/73/1069523073.db2.gz GKHQFWYVYJARHX-HNNXBMFYSA-N 1 0 450.377 3.959 20 0 JHADRO O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001311727888 1069523956 /nfs/dbraw/zinc/52/39/56/1069523956.db2.gz OVGNAUWSIFZGJK-PMOQBDJRSA-N 1 0 459.537 3.848 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001306744793 1069526395 /nfs/dbraw/zinc/52/63/95/1069526395.db2.gz ZAROOAOBDIHJKL-UHFFFAOYSA-N 1 0 464.724 3.536 20 0 JHADRO Cc1ccc([C@@H](CNC(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)[NH+](C)C)cc1 ZINC001311746401 1069531508 /nfs/dbraw/zinc/53/15/08/1069531508.db2.gz RXAZHNFEVUQIAC-LJQANCHMSA-N 1 0 454.537 3.717 20 0 JHADRO COC(=O)c1cnc([C@@H]2CCCN(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCC3)C2)s1 ZINC001311764188 1069537667 /nfs/dbraw/zinc/53/76/67/1069537667.db2.gz DXLRJBZXGXKMJX-UXHICEINSA-N 1 0 456.612 3.964 20 0 JHADRO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)[NH+]2CCCC2)cc1 ZINC001311767123 1069539187 /nfs/dbraw/zinc/53/91/87/1069539187.db2.gz ZDFUDHNNQXPOHQ-IZZNHLLZSA-N 1 0 450.627 3.641 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CC[NH+]2CCCCC2)cc1OC ZINC001306748739 1069539287 /nfs/dbraw/zinc/53/92/87/1069539287.db2.gz LMBYLSDREYFSTB-FQEVSTJZSA-N 1 0 457.619 3.844 20 0 JHADRO CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001311791027 1069546417 /nfs/dbraw/zinc/54/64/17/1069546417.db2.gz LUEVKBKRQRKQKP-FQEVSTJZSA-N 1 0 454.036 3.855 20 0 JHADRO C[C@H](CNC(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC001311796897 1069549793 /nfs/dbraw/zinc/54/97/93/1069549793.db2.gz YNRKCGUONDSTAA-YFXJRYMSSA-N 1 0 460.544 3.763 20 0 JHADRO C[C@@H](NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311820581 1069560242 /nfs/dbraw/zinc/56/02/42/1069560242.db2.gz TYBAUGVXTNNQFU-RBUKOAKNSA-N 1 0 450.562 3.885 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC001311820894 1069560523 /nfs/dbraw/zinc/56/05/23/1069560523.db2.gz ATDGJAPCOADKFJ-NFBKMPQASA-N 1 0 454.590 3.682 20 0 JHADRO COc1ccccc1N1CC[C@@H](CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC001311827925 1069565005 /nfs/dbraw/zinc/56/50/05/1069565005.db2.gz DYMJJCXRQKYBKR-RDPSFJRHSA-N 1 0 454.615 3.911 20 0 JHADRO COc1ccccc1N1CC[C@H](CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC001311827929 1069565447 /nfs/dbraw/zinc/56/54/47/1069565447.db2.gz DYMJJCXRQKYBKR-YKSBVNFPSA-N 1 0 454.615 3.911 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(C)COCCO2)C1 ZINC001306778992 1069574769 /nfs/dbraw/zinc/57/47/69/1069574769.db2.gz CMXZVPSLIBQRJB-UUOWRZLLSA-N 1 0 479.572 3.520 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC=CCC2)C1 ZINC001306780265 1069576992 /nfs/dbraw/zinc/57/69/92/1069576992.db2.gz MIUPRXJCGWMNEK-SFTDATJTSA-N 1 0 471.671 3.873 20 0 JHADRO 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CCC[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1)C(=O)N1CCc2sccc2C1 ZINC001311856799 1069583053 /nfs/dbraw/zinc/58/30/53/1069583053.db2.gz DGHUTXFRPTXKCX-FGZHOGPDSA-N 1 0 454.640 3.684 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)c(C)c2)C1 ZINC001306783647 1069583094 /nfs/dbraw/zinc/58/30/94/1069583094.db2.gz NGSXKFRSBGXVSO-HXUWFJFHSA-N 1 0 465.577 3.589 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3)n2CC(F)(F)C2(OC)CCOCC2)C1 ZINC001306782192 1069580460 /nfs/dbraw/zinc/58/04/60/1069580460.db2.gz CJNMQJMWZNACQK-HXUWFJFHSA-N 1 0 477.600 3.944 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCOC(C)(C)C)C1 ZINC001306783710 1069583590 /nfs/dbraw/zinc/58/35/90/1069583590.db2.gz NYSOEWHFTVXUGQ-GOSISDBHSA-N 1 0 467.618 3.577 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)NCC(F)F)C1 ZINC001306782793 1069581198 /nfs/dbraw/zinc/58/11/98/1069581198.db2.gz GKIUAPCZVRTLJB-GOSISDBHSA-N 1 0 476.616 3.792 20 0 JHADRO 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CCC[N@@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@H](NC(=O)CC)C2)C1 ZINC001307043795 1069776105 /nfs/dbraw/zinc/77/61/05/1069776105.db2.gz BJSZWQLXCONLPF-PKTZIBPZSA-N 1 0 482.673 3.701 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CC[N@H+](CC)C2)cc1 ZINC001314196835 1069776498 /nfs/dbraw/zinc/77/64/98/1069776498.db2.gz CJDLDHUWEJXERK-WOZUAGRISA-N 1 0 457.619 3.772 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C3CCCC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001307044217 1069777236 /nfs/dbraw/zinc/77/72/36/1069777236.db2.gz XNVXGMWHGYARLG-UHFFFAOYSA-N 1 0 459.683 3.688 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC001312205097 1069780119 /nfs/dbraw/zinc/78/01/19/1069780119.db2.gz VBEJDARJXHRELP-CLJLJLNGSA-N 1 0 451.611 3.965 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCO[C@](C)(CC)C2)C1 ZINC001307045091 1069780794 /nfs/dbraw/zinc/78/07/94/1069780794.db2.gz CXWPVEVLBAZFRZ-XCBFCAQUSA-N 1 0 490.693 3.786 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)cc3F)n2CC2([S@@](C)=O)CC2)CC1 ZINC001307045225 1069780900 /nfs/dbraw/zinc/78/09/00/1069780900.db2.gz DLEMGYHGSUPXQK-WJOKGBTCSA-N 1 0 468.042 3.959 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)OC(C)(C)C2)C1 ZINC001307045136 1069781127 /nfs/dbraw/zinc/78/11/27/1069781127.db2.gz DLKHGQVQCLRNOL-XSDIEEQYSA-N 1 0 490.693 3.784 20 0 JHADRO C[C@@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H](c1ccccc1)[NH+](C)C ZINC001312207096 1069782119 /nfs/dbraw/zinc/78/21/19/1069782119.db2.gz CVZBSUVPMXZDJP-SJKOYZFVSA-N 1 0 454.884 3.892 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@H](C(=O)OC)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001314198966 1069785861 /nfs/dbraw/zinc/78/58/61/1069785861.db2.gz QNEPHSJQNLQAQG-BDTNDASRSA-N 1 0 499.656 3.938 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CCOC(C)(C)C2)C1 ZINC001307046769 1069786801 /nfs/dbraw/zinc/78/68/01/1069786801.db2.gz MLJYQRQJXJGJKG-IBGZPJMESA-N 1 0 459.660 3.926 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001307047015 1069787794 /nfs/dbraw/zinc/78/77/94/1069787794.db2.gz PVWMXWDDYGSOAT-HSALFYBXSA-N 1 0 459.660 3.925 20 0 JHADRO CC[C@H](NC(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001312219358 1069790387 /nfs/dbraw/zinc/79/03/87/1069790387.db2.gz VBCHLAOTASXKFV-SDHOMARFSA-N 1 0 453.627 3.996 20 0 JHADRO CC[C@H](NC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001312219356 1069790442 /nfs/dbraw/zinc/79/04/42/1069790442.db2.gz VBCHLAOTASXKFV-GVAUOCQISA-N 1 0 453.627 3.996 20 0 JHADRO COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001312220067 1069791274 /nfs/dbraw/zinc/79/12/74/1069791274.db2.gz WXFOPVHZTYUTPD-UYFZRMNSSA-N 1 0 459.631 3.533 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3c(F)cccc3F)n2Cc2nnc(CC)s2)CC1 ZINC001307047961 1069792055 /nfs/dbraw/zinc/79/20/55/1069792055.db2.gz HPIXHCWCWXVAHQ-UHFFFAOYSA-N 1 0 475.613 3.920 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC001307048101 1069792619 /nfs/dbraw/zinc/79/26/19/1069792619.db2.gz NBYQVEKJFLFXNU-NRFANRHFSA-N 1 0 485.677 3.878 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCOC2)CC1 ZINC001307048214 1069793407 /nfs/dbraw/zinc/79/34/07/1069793407.db2.gz AEPCGHCUVINBTI-QGZVFWFLSA-N 1 0 479.467 3.783 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2nnc(C)s2)cc1 ZINC001314200987 1069793869 /nfs/dbraw/zinc/79/38/69/1069793869.db2.gz WJLPBYIBPOKAPK-KRWDZBQOSA-N 1 0 485.658 3.992 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(=O)NC(C)C)CC1 ZINC001307048582 1069794156 /nfs/dbraw/zinc/79/41/56/1069794156.db2.gz DYRSUWDGHCMBOK-UHFFFAOYSA-N 1 0 478.645 3.561 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CSc3ccccc32)CC1 ZINC001307048793 1069794548 /nfs/dbraw/zinc/79/45/48/1069794548.db2.gz GLVDTLQMACHNMI-GOSISDBHSA-N 1 0 456.660 3.616 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCS(=O)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001314201822 1069798329 /nfs/dbraw/zinc/79/83/29/1069798329.db2.gz JYZYSPZCFOPTIQ-NZQKXSOJSA-N 1 0 489.686 3.506 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2Cc2nnc(C)s2)CC1 ZINC001307049942 1069798777 /nfs/dbraw/zinc/79/87/77/1069798777.db2.gz PGYLWTCFKBJLJJ-UHFFFAOYSA-N 1 0 493.479 3.565 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2C[C@H]2CCCCO2)cc1 ZINC001314201989 1069798805 /nfs/dbraw/zinc/79/88/05/1069798805.db2.gz XMWXOOGADBPMKF-TXTKFYIRSA-N 1 0 457.619 3.916 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(C)COC2)CC1 ZINC001307050368 1069800072 /nfs/dbraw/zinc/80/00/72/1069800072.db2.gz VJOLGRPAKBMOGW-UHFFFAOYSA-N 1 0 457.619 3.700 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001307050621 1069800763 /nfs/dbraw/zinc/80/07/63/1069800763.db2.gz DKANVFVEZVTPLX-NRFANRHFSA-N 1 0 479.572 3.601 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001307050497 1069800803 /nfs/dbraw/zinc/80/08/03/1069800803.db2.gz XUKGIABFSQEETD-SANMLTNESA-N 1 0 483.661 3.567 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(F)c(F)c2F)CC1 ZINC001307050893 1069801432 /nfs/dbraw/zinc/80/14/32/1069801432.db2.gz HCJCBEIMHKMBER-MBSDFSHPSA-N 1 0 495.590 3.973 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001314202643 1069803202 /nfs/dbraw/zinc/80/32/02/1069803202.db2.gz XZXZLHNZTCBXJU-SFTDATJTSA-N 1 0 457.619 3.775 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCSC2)CC1 ZINC001307051183 1069803515 /nfs/dbraw/zinc/80/35/15/1069803515.db2.gz KSPFZHXXLBZVEN-RUZDIDTESA-N 1 0 473.687 3.653 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2C[C@](C)(O)CCC)CC1 ZINC001307051513 1069804195 /nfs/dbraw/zinc/80/41/95/1069804195.db2.gz HVLBIKJJESJZQF-HHHXNRCGSA-N 1 0 495.672 3.537 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2Cc2c(C)nn(C)c2C)CC1 ZINC001307051985 1069806782 /nfs/dbraw/zinc/80/67/82/1069806782.db2.gz VXTDDODOQKULBE-UHFFFAOYSA-N 1 0 469.609 3.705 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001307052484 1069808171 /nfs/dbraw/zinc/80/81/71/1069808171.db2.gz BGTATJKFSNFMJZ-PZJWPPBQSA-N 1 0 486.665 3.536 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC001307052440 1069808219 /nfs/dbraw/zinc/80/82/19/1069808219.db2.gz AOSWQNATSXYQJW-HSZRJFAPSA-N 1 0 482.673 3.566 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001307052924 1069810148 /nfs/dbraw/zinc/81/01/48/1069810148.db2.gz ADODPRDORNCMQV-MSOLQXFVSA-N 1 0 489.462 3.639 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001307054881 1069817980 /nfs/dbraw/zinc/81/79/80/1069817980.db2.gz NZNWNYNNOGYMCL-AZUAARDMSA-N 1 0 477.053 3.878 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001307055283 1069821401 /nfs/dbraw/zinc/82/14/01/1069821401.db2.gz OZKFCMFAWAYTGT-MOPGFXCFSA-N 1 0 489.462 3.592 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](COC)C1 ZINC001307055444 1069822916 /nfs/dbraw/zinc/82/29/16/1069822916.db2.gz PWCSWCIFLCISBR-PKOBYXMFSA-N 1 0 479.467 3.783 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001307056112 1069825011 /nfs/dbraw/zinc/82/50/11/1069825011.db2.gz BWNIJLGONKLOFM-GGAORHGYSA-N 1 0 468.646 3.820 20 0 JHADRO CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccco1 ZINC001312269316 1069826704 /nfs/dbraw/zinc/82/67/04/1069826704.db2.gz CSUIGVPNAXGPIX-FJIDUMEYSA-N 1 0 452.596 3.769 20 0 JHADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC001312274028 1069829300 /nfs/dbraw/zinc/82/93/00/1069829300.db2.gz CRXASEBXZWOIFK-GJZGRUSLSA-N 1 0 450.381 3.837 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001307056994 1069830623 /nfs/dbraw/zinc/83/06/23/1069830623.db2.gz UKLNBEFLEQESCD-XZOQPEGZSA-N 1 0 498.672 3.940 20 0 JHADRO COc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(C)cc3O[C@H]3CCOC3)CC2)cc1 ZINC001312278259 1069831989 /nfs/dbraw/zinc/83/19/89/1069831989.db2.gz LMBLAJKTGRHPEM-DEOSSOPVSA-N 1 0 453.583 3.589 20 0 JHADRO CCOc1ccccc1C(=O)N1CCN(c2nnc(CC)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001314210621 1069832217 /nfs/dbraw/zinc/83/22/17/1069832217.db2.gz QLVWFPFUUOSTFR-VXKWHMMOSA-N 1 0 496.700 3.958 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(CC)C(=O)C1 ZINC001307057309 1069832738 /nfs/dbraw/zinc/83/27/38/1069832738.db2.gz DXCLGHYCQXIZKS-HSZRJFAPSA-N 1 0 482.673 3.797 20 0 JHADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)NC1(c2ccccc2Br)CCC1 ZINC001312289525 1069840936 /nfs/dbraw/zinc/84/09/36/1069840936.db2.gz VPFDJQRRMMNWDP-PMACEKPBSA-N 1 0 450.421 3.895 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001307058278 1069838580 /nfs/dbraw/zinc/83/85/80/1069838580.db2.gz ZFIVAFAKEJWFPC-SFHLNBCPSA-N 1 0 457.619 3.840 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001307059702 1069845872 /nfs/dbraw/zinc/84/58/72/1069845872.db2.gz ZBJYYLITAJDPMG-FQEVSTJZSA-N 1 0 461.724 3.745 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001307059847 1069846794 /nfs/dbraw/zinc/84/67/94/1069846794.db2.gz WKWOLUOMHGSJSH-XZOQPEGZSA-N 1 0 482.673 3.830 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001307061471 1069853180 /nfs/dbraw/zinc/85/31/80/1069853180.db2.gz GNTPGZGCTWGMEB-KCZVDYSFSA-N 1 0 483.661 3.954 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001307061480 1069853267 /nfs/dbraw/zinc/85/32/67/1069853267.db2.gz GNTPGZGCTWGMEB-VWPQPMDRSA-N 1 0 483.661 3.954 20 0 JHADRO C[C@@H]1C[C@H](CCNC(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)C[N@@H+]1Cc1ccccc1 ZINC001312315466 1069858588 /nfs/dbraw/zinc/85/85/88/1069858588.db2.gz WEPRRLNGULEHJH-NHCICSSKSA-N 1 0 452.574 3.873 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC(C)(OC)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314218549 1069859050 /nfs/dbraw/zinc/85/90/50/1069859050.db2.gz SFRNJFMLRQJHGM-WOJBJXKFSA-N 1 0 457.619 3.601 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CC1=CCCOC1 ZINC001314218588 1069859137 /nfs/dbraw/zinc/85/91/37/1069859137.db2.gz UUJPXJGHJGPRFM-VQTJNVASSA-N 1 0 455.603 3.521 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001314218664 1069859610 /nfs/dbraw/zinc/85/96/10/1069859610.db2.gz VUGHHWDRAIDIHC-SZPZYZBQSA-N 1 0 485.673 3.973 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001307063234 1069861383 /nfs/dbraw/zinc/86/13/83/1069861383.db2.gz OBDITBBKAUUPLA-RTBURBONSA-N 1 0 472.659 3.560 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001307063287 1069861458 /nfs/dbraw/zinc/86/14/58/1069861458.db2.gz PLEFZCOULJUMLF-FQEVSTJZSA-N 1 0 452.603 3.899 20 0 JHADRO COC[C@]1(CNC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC001312314532 1069857398 /nfs/dbraw/zinc/85/73/98/1069857398.db2.gz OSCDBGKRFCQNIS-ZYVVXELTSA-N 1 0 451.611 3.701 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CC[C@@H]1CCOC1 ZINC001314219422 1069863134 /nfs/dbraw/zinc/86/31/34/1069863134.db2.gz YQBZENIGZXOYCE-PCCBWWKXSA-N 1 0 457.619 3.601 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCC2)CC1=O ZINC001307064097 1069864648 /nfs/dbraw/zinc/86/46/48/1069864648.db2.gz JFQUMIUJGSPEPW-UHFFFAOYSA-N 1 0 459.038 3.922 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC(=O)NC)CC1 ZINC001307064478 1069866952 /nfs/dbraw/zinc/86/69/52/1069866952.db2.gz BQCATXLFKPJKFS-CQOQZXRMSA-N 1 0 488.721 3.814 20 0 JHADRO CCCN1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC001307065010 1069868606 /nfs/dbraw/zinc/86/86/06/1069868606.db2.gz DFIZOACKHOQBTR-HSZRJFAPSA-N 1 0 495.716 3.526 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001307066714 1069876200 /nfs/dbraw/zinc/87/62/00/1069876200.db2.gz JSBVFWCLAWKOPO-SFTDATJTSA-N 1 0 478.682 3.772 20 0 JHADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC001312338182 1069873266 /nfs/dbraw/zinc/87/32/66/1069873266.db2.gz YDAQVPVGJFEOJI-LJQANCHMSA-N 1 0 459.635 3.943 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccccc2)[NH+](CC)CC)CC1=O ZINC001307066406 1069874814 /nfs/dbraw/zinc/87/48/14/1069874814.db2.gz NRDQWPJDUOGDGZ-DEOSSOPVSA-N 1 0 475.641 3.872 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@H]2C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001314222603 1069877562 /nfs/dbraw/zinc/87/75/62/1069877562.db2.gz MHYNNTFVPCLJTJ-NHCUHLMSSA-N 1 0 471.646 3.726 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001307070039 1069883895 /nfs/dbraw/zinc/88/38/95/1069883895.db2.gz VYLINNLTMWLPGS-ICSRJNTNSA-N 1 0 476.021 3.774 20 0 JHADRO C[NH+]1CCC(CNC(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)CC1 ZINC001312358344 1069884868 /nfs/dbraw/zinc/88/48/68/1069884868.db2.gz CLFGWHGWLKXICD-UHFFFAOYSA-N 1 0 458.647 3.986 20 0 JHADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC001312363539 1069889057 /nfs/dbraw/zinc/88/90/57/1069889057.db2.gz BLXIBODWPRSGBO-KRWDZBQOSA-N 1 0 455.430 3.858 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@](C)(O)C(C)C ZINC001314225821 1069893019 /nfs/dbraw/zinc/89/30/19/1069893019.db2.gz ANWMJNXQLAIQGG-RUZDIDTESA-N 1 0 459.635 3.583 20 0 JHADRO CCOC(=O)C1(C(F)(F)F)CCN(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001312379220 1069896612 /nfs/dbraw/zinc/89/66/12/1069896612.db2.gz BQBQSROVGJPSDP-MJGOQNOKSA-N 1 0 455.521 3.814 20 0 JHADRO O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001312377292 1069895769 /nfs/dbraw/zinc/89/57/69/1069895769.db2.gz ADYXDBVEGCSNKL-IBGZPJMESA-N 1 0 453.002 3.592 20 0 JHADRO C[C@H](NC(=O)N1CC(O)(c2cccc(Br)c2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312385546 1069900617 /nfs/dbraw/zinc/90/06/17/1069900617.db2.gz ZYKAQBRYEZYCHI-PKOBYXMFSA-N 1 0 458.400 3.573 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1OCCC1(C)C ZINC001314227625 1069903248 /nfs/dbraw/zinc/90/32/48/1069903248.db2.gz ONGFDQSZZYBJHQ-QFIPXVFZSA-N 1 0 471.646 3.991 20 0 JHADRO CCOc1ccnc(N2CCN(c3nnc(-c4cccc(Cl)c4)n3C[C@@H](C)[NH+](CC)CC)CC2)n1 ZINC001314227858 1069904027 /nfs/dbraw/zinc/90/40/27/1069904027.db2.gz XWZOLXODCZAKQH-LJQANCHMSA-N 1 0 499.063 3.844 20 0 JHADRO CCN(C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312391148 1069904398 /nfs/dbraw/zinc/90/43/98/1069904398.db2.gz GHZSFSZASUQQKE-SIKLNZKXSA-N 1 0 458.965 3.890 20 0 JHADRO CCOc1ccnc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)n1 ZINC001314227970 1069904778 /nfs/dbraw/zinc/90/47/78/1069904778.db2.gz ZSRZCZOXSNBGTP-OAQYLSRUSA-N 1 0 484.693 3.502 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](CC)[NH+]3CCCC3)CC2)n1 ZINC001314229014 1069909834 /nfs/dbraw/zinc/90/98/34/1069909834.db2.gz LFQODHFONYRFFD-OAQYLSRUSA-N 1 0 484.693 3.647 20 0 JHADRO C[N@@H+]1CC[C@@H](CNC(=O)N2CCn3cnc(C(F)(F)F)c3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312410638 1069916400 /nfs/dbraw/zinc/91/64/00/1069916400.db2.gz CAOXCEPCYVCJMS-GUYCJALGSA-N 1 0 459.875 3.913 20 0 JHADRO CC(C)(C)c1nc(CCNC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cs1 ZINC001312423388 1069925843 /nfs/dbraw/zinc/92/58/43/1069925843.db2.gz NKQFIGGFMMPNIV-JOCHJYFZSA-N 1 0 455.672 3.585 20 0 JHADRO C[C@H](NC(=O)NCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1)c1ccc[nH]1 ZINC001312433326 1069933430 /nfs/dbraw/zinc/93/34/30/1069933430.db2.gz QBTUTVLXOSCOGH-IBGZPJMESA-N 1 0 455.603 3.934 20 0 JHADRO CN(C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001312440968 1069938662 /nfs/dbraw/zinc/93/86/62/1069938662.db2.gz BIELRHDHHXRWSG-UGKGYDQZSA-N 1 0 458.965 3.890 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1(C)C ZINC001314239520 1069940323 /nfs/dbraw/zinc/94/03/23/1069940323.db2.gz FZFIMQCGARJRKR-YPAWHYETSA-N 1 0 474.694 3.666 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001312444407 1069941295 /nfs/dbraw/zinc/94/12/95/1069941295.db2.gz STSBTTSPDHYBHL-TVTNDZMWSA-N 1 0 458.965 3.652 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)[NH+]2CCCC2)C1(C)C ZINC001314240702 1069942565 /nfs/dbraw/zinc/94/25/65/1069942565.db2.gz UCQWEJMABRQDJR-DNVJHFABSA-N 1 0 482.673 3.893 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 ZINC001312454428 1069947475 /nfs/dbraw/zinc/94/74/75/1069947475.db2.gz BDTNSONLDCPRPU-LZNRXBQRSA-N 1 0 455.002 3.952 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)[NH+](C)C)C12CCC2 ZINC001314243471 1069952973 /nfs/dbraw/zinc/95/29/73/1069952973.db2.gz LDWKQZOQNROTNV-ZPMCFJSWSA-N 1 0 457.619 3.696 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([NH+](C)C)CCCC2)C1(C)C ZINC001314246179 1069960177 /nfs/dbraw/zinc/96/01/77/1069960177.db2.gz HUIZOKNLISQLIP-IPVFLDMMSA-N 1 0 477.694 3.833 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)C)C1(C)C ZINC001314248424 1069970870 /nfs/dbraw/zinc/97/08/70/1069970870.db2.gz DHYVMMSFTVQOLI-DNQXCXABSA-N 1 0 468.690 3.939 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCSCC2)C1(C)C ZINC001314250730 1069977611 /nfs/dbraw/zinc/97/76/11/1069977611.db2.gz NWQRAGYSQGSVTH-ZWKOTPCHSA-N 1 0 497.507 3.724 20 0 JHADRO Cc1noc([C@@H]2CCC[N@H+](CC[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)C2)n1 ZINC001307426769 1069979582 /nfs/dbraw/zinc/97/95/82/1069979582.db2.gz PSHAWLVTLHQHON-FYYLOGMGSA-N 1 0 454.596 3.976 20 0 JHADRO Cc1noc([C@@H]2CCC[N@H+](CC[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)C2)n1 ZINC001307426771 1069979795 /nfs/dbraw/zinc/97/97/95/1069979795.db2.gz PSHAWLVTLHQHON-GGAORHGYSA-N 1 0 454.596 3.976 20 0 JHADRO Cc1ccc(-c2csc(NC(=O)CN3CC[NH+](CCCOCC(F)(F)F)CC3)n2)cc1 ZINC001307430408 1069981407 /nfs/dbraw/zinc/98/14/07/1069981407.db2.gz YSSPDIHBJYXCES-UHFFFAOYSA-N 1 0 456.534 3.644 20 0 JHADRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC001307446091 1069987532 /nfs/dbraw/zinc/98/75/32/1069987532.db2.gz NHMUCCJGOMHXNS-PXNSSMCTSA-N 1 0 450.421 3.881 20 0 JHADRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001307441517 1069985852 /nfs/dbraw/zinc/98/58/52/1069985852.db2.gz FJFLPYNZJUGBRT-ZWKOTPCHSA-N 1 0 456.612 3.956 20 0 JHADRO O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001312518531 1069986285 /nfs/dbraw/zinc/98/62/85/1069986285.db2.gz JAKPHZREGCCZKZ-IBGZPJMESA-N 1 0 452.521 3.718 20 0 JHADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001312519708 1069986914 /nfs/dbraw/zinc/98/69/14/1069986914.db2.gz QXCPSIOOHQNONI-QGZVFWFLSA-N 1 0 454.518 3.646 20 0 JHADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001312514825 1069982807 /nfs/dbraw/zinc/98/28/07/1069982807.db2.gz ASTVXIOCHXQRMI-MJGOQNOKSA-N 1 0 452.521 3.907 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1(C)C ZINC001314255166 1069989325 /nfs/dbraw/zinc/98/93/25/1069989325.db2.gz IIZARKHWVRYVAZ-BAMDZGJYSA-N 1 0 470.662 3.788 20 0 JHADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC001307450165 1069990160 /nfs/dbraw/zinc/99/01/60/1069990160.db2.gz GHGDBIXCJLNLMR-LZJOCLMNSA-N 1 0 458.872 3.800 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cnccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1(C)C ZINC001314255983 1069990500 /nfs/dbraw/zinc/99/05/00/1069990500.db2.gz JRMHCMWLFHHYOL-BHDDXSALSA-N 1 0 467.593 3.817 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1(C)C ZINC001314256716 1069993073 /nfs/dbraw/zinc/99/30/73/1069993073.db2.gz LTCWKDDASKDGHJ-BHIFYINESA-N 1 0 469.609 3.760 20 0 JHADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001307452637 1069993155 /nfs/dbraw/zinc/99/31/55/1069993155.db2.gz MSKLBCAJPHYUMT-OAQYLSRUSA-N 1 0 450.023 3.897 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1(C)C ZINC001314257172 1069994352 /nfs/dbraw/zinc/99/43/52/1069994352.db2.gz SWGMAJZXBQVMRG-YXPKMTABSA-N 1 0 484.689 3.792 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cnccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1(C)C ZINC001314258572 1069996137 /nfs/dbraw/zinc/99/61/37/1069996137.db2.gz QFEFKXRFNVMBGC-YUVXSKOASA-N 1 0 455.651 3.743 20 0 JHADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 ZINC001307461952 1069999666 /nfs/dbraw/zinc/99/96/66/1069999666.db2.gz MQORLRWTOXOKND-DVECYGJZSA-N 1 0 453.624 3.734 20 0 JHADRO CCOC1CC(O)(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001314262783 1070006015 /nfs/dbraw/zinc/00/60/15/1070006015.db2.gz BJWZFVDXQOXWAI-UHFFFAOYSA-N 1 0 485.673 3.715 20 0 JHADRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)CCC[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001307478919 1070007347 /nfs/dbraw/zinc/00/73/47/1070007347.db2.gz MKCAAAWMUGQAKI-MOPGFXCFSA-N 1 0 451.633 3.709 20 0 JHADRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001307481546 1070008646 /nfs/dbraw/zinc/00/86/46/1070008646.db2.gz ZGIVFKNLWPGYFW-QUCCMNQESA-N 1 0 459.587 3.817 20 0 JHADRO CCOC1CC(O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)C1 ZINC001314264947 1070011016 /nfs/dbraw/zinc/01/10/16/1070011016.db2.gz XEMPLOQEHDANMH-IMHYJWESSA-N 1 0 480.078 3.684 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001314265142 1070011435 /nfs/dbraw/zinc/01/14/35/1070011435.db2.gz JVAGWWFJDLOIGJ-HXUWFJFHSA-N 1 0 457.619 3.842 20 0 JHADRO 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CCO[C@@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001314267446 1070018233 /nfs/dbraw/zinc/01/82/33/1070018233.db2.gz WKMAFTVRMBSVAH-DENIHFKCSA-N 1 0 489.064 3.599 20 0 JHADRO CN(CC(=O)N(C)Cc1cc(Br)cs1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307498651 1070018419 /nfs/dbraw/zinc/01/84/19/1070018419.db2.gz UVRWFNBZNXGMSA-GOSISDBHSA-N 1 0 450.446 3.923 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001314270871 1070024678 /nfs/dbraw/zinc/02/46/78/1070024678.db2.gz BHDKXMBKINFCQM-MIZPHKNDSA-N 1 0 457.619 3.772 20 0 JHADRO CO[C@H](C)c1nc(CN2CCC[N@H+](C[C@@H](O)COc3cc(C)ccc3Cl)CC2)cs1 ZINC001307509231 1070025658 /nfs/dbraw/zinc/02/56/58/1070025658.db2.gz CXNKUMMMLODVJT-IEBWSBKVSA-N 1 0 454.036 3.760 20 0 JHADRO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)cc1S(=O)(=O)N(C)C ZINC001307515257 1070029307 /nfs/dbraw/zinc/02/93/07/1070029307.db2.gz JSYOXUKEIGITQY-RUZDIDTESA-N 1 0 455.624 3.554 20 0 JHADRO CCN(C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)C1)CC(F)(F)F ZINC001307518241 1070030087 /nfs/dbraw/zinc/03/00/87/1070030087.db2.gz BKBKKVXWSCXRMA-PXNSSMCTSA-N 1 0 457.537 3.573 20 0 JHADRO C[C@@H]1CN(c2ccc(NC(=O)CN(C)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC001307525202 1070034163 /nfs/dbraw/zinc/03/41/63/1070034163.db2.gz BRBKCXXWYHOHIX-XLGIIRLISA-N 1 0 450.627 3.835 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC001314277835 1070038320 /nfs/dbraw/zinc/03/83/20/1070038320.db2.gz QOLWGXNJJHPPLF-ISKFKSNPSA-N 1 0 470.662 3.791 20 0 JHADRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CCC4CN(C(=O)OC(C)(C)C)C4)CC3)cc2NC1=O ZINC001307546968 1070046785 /nfs/dbraw/zinc/04/67/85/1070046785.db2.gz UVVKZLFGXSSLLR-INIZCTEOSA-N 1 0 457.571 3.558 20 0 JHADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC001312630214 1070052644 /nfs/dbraw/zinc/05/26/44/1070052644.db2.gz ZDQVNZAQWDQVRC-QUCCMNQESA-N 1 0 458.404 3.998 20 0 JHADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC001312630687 1070053371 /nfs/dbraw/zinc/05/33/71/1070053371.db2.gz WVDYKECKFLIXEE-JKSUJKDBSA-N 1 0 455.384 3.738 20 0 JHADRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001307567028 1070055050 /nfs/dbraw/zinc/05/50/50/1070055050.db2.gz PWKMGWHTXDNABY-UHFFFAOYSA-N 1 0 459.594 3.973 20 0 JHADRO CCC(CC)([NH2+]CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)c1ccc(Cl)c(Cl)c1 ZINC001307566525 1070055105 /nfs/dbraw/zinc/05/51/05/1070055105.db2.gz HIVNXQCYGMIDOK-UHFFFAOYSA-N 1 0 455.386 3.982 20 0 JHADRO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001307572180 1070058562 /nfs/dbraw/zinc/05/85/62/1070058562.db2.gz SOMRHASJLRHGAY-CYBMUJFWSA-N 1 0 450.333 3.637 20 0 JHADRO CCOCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001314287851 1070064339 /nfs/dbraw/zinc/06/43/39/1070064339.db2.gz WDBURJJFIRNGGG-UHFFFAOYSA-N 1 0 457.619 3.700 20 0 JHADRO COc1cc(OC)cc(N2CCC[N@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC001307580675 1070062680 /nfs/dbraw/zinc/06/26/80/1070062680.db2.gz FSDTZWYSWSWJAA-IBGZPJMESA-N 1 0 455.382 3.963 20 0 JHADRO COc1cc(OC)cc(N2CCC[N@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC001307580676 1070063161 /nfs/dbraw/zinc/06/31/61/1070063161.db2.gz FSDTZWYSWSWJAA-LJQANCHMSA-N 1 0 455.382 3.963 20 0 JHADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC001307590872 1070070161 /nfs/dbraw/zinc/07/01/61/1070070161.db2.gz YGRZUWMVHLGIBA-XCGNWRKASA-N 1 0 459.516 3.812 20 0 JHADRO CCOCc1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314292074 1070072517 /nfs/dbraw/zinc/07/25/17/1070072517.db2.gz IULHZCKFKNEAOF-UXHICEINSA-N 1 0 491.702 3.926 20 0 JHADRO COCCC[C@@H](CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccc(Cl)cc1 ZINC001312670645 1070072938 /nfs/dbraw/zinc/07/29/38/1070072938.db2.gz ZXSQRWFQWVWUKD-QFIPXVFZSA-N 1 0 451.055 3.519 20 0 JHADRO CC[NH+]1CCC(N2CCCN(C(=O)NCc3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC001312671845 1070073516 /nfs/dbraw/zinc/07/35/16/1070073516.db2.gz VSCQOZWDQUVBNK-UHFFFAOYSA-N 1 0 450.627 3.967 20 0 JHADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001307599337 1070074180 /nfs/dbraw/zinc/07/41/80/1070074180.db2.gz JDZKJFDHKAACNT-GOSISDBHSA-N 1 0 452.546 3.876 20 0 JHADRO CCC[N@H+](C)[C@@H](CNC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C)c1ccc(Cl)cc1 ZINC001312675636 1070076087 /nfs/dbraw/zinc/07/60/87/1070076087.db2.gz XSLVGRNGQLVXMM-WBAXXEDZSA-N 1 0 462.944 3.964 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(C)(C)Oc1cc(F)cc(F)c1 ZINC001312675821 1070077258 /nfs/dbraw/zinc/07/72/58/1070077258.db2.gz VIUBMQVDNPUMGH-AUSIDOKSSA-N 1 0 461.553 3.959 20 0 JHADRO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)[C@@H]2CCCC[C@H]21 ZINC001307604885 1070078194 /nfs/dbraw/zinc/07/81/94/1070078194.db2.gz VOMOTJRJMIKGBI-VEXUSMLFSA-N 1 0 455.624 3.956 20 0 JHADRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001307621157 1070084356 /nfs/dbraw/zinc/08/43/56/1070084356.db2.gz PHFAUUSFTHRCCF-MRXNPFEDSA-N 1 0 457.527 3.945 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1)C1CCCCC1 ZINC001307614110 1070082287 /nfs/dbraw/zinc/08/22/87/1070082287.db2.gz BXNQSIUVFYSJPO-QFIPXVFZSA-N 1 0 455.603 3.552 20 0 JHADRO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC001307614278 1070082552 /nfs/dbraw/zinc/08/25/52/1070082552.db2.gz DIWQLCULNYUWOD-XMMPIXPASA-N 1 0 457.596 3.549 20 0 JHADRO CCOCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@](C)(O)c1ccco1 ZINC001314303391 1070089113 /nfs/dbraw/zinc/08/91/13/1070089113.db2.gz RNJRZWDDAUMMMQ-MZEQIWSPSA-N 1 0 467.614 3.805 20 0 JHADRO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC001307626853 1070088052 /nfs/dbraw/zinc/08/80/52/1070088052.db2.gz PNTXCKOZXKSTIG-NSHDSACASA-N 1 0 457.474 3.640 20 0 JHADRO CCOCc1nnc(N(C)CC2(c3ccccc3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314303078 1070088450 /nfs/dbraw/zinc/08/84/50/1070088450.db2.gz BHZFBDLTHPGCGT-OYRHEFFESA-N 1 0 455.647 3.870 20 0 JHADRO COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001312711244 1070089863 /nfs/dbraw/zinc/08/98/63/1070089863.db2.gz XYZJVEACNVJNCS-RKKYOWQMSA-N 1 0 458.603 3.624 20 0 JHADRO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@H](c1ccccc1Cl)C(C)C ZINC001307637583 1070093809 /nfs/dbraw/zinc/09/38/09/1070093809.db2.gz RLBWFGMJILLDCD-KRWDZBQOSA-N 1 0 451.976 3.911 20 0 JHADRO COC(=O)c1sc(NC(=O)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c(C(=O)OC)c1C ZINC001307631779 1070090567 /nfs/dbraw/zinc/09/05/67/1070090567.db2.gz SQJGSFKKVKWVHN-LLVKDONJSA-N 1 0 456.467 3.520 20 0 JHADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)ccc1OC1CCCC1 ZINC001307632346 1070091014 /nfs/dbraw/zinc/09/10/14/1070091014.db2.gz QMUVIDHXXPXTLP-YLJYHZDGSA-N 1 0 453.539 3.545 20 0 JHADRO C[C@@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001307635988 1070093959 /nfs/dbraw/zinc/09/39/59/1070093959.db2.gz YHFXJOSTMYXMNQ-QGZVFWFLSA-N 1 0 459.575 3.953 20 0 JHADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)NC2(c3ncc(Br)cn3)CCC2)CCC1 ZINC001312712960 1070091516 /nfs/dbraw/zinc/09/15/16/1070091516.db2.gz JBYQXVXZZVNULI-UHFFFAOYSA-N 1 0 458.404 3.972 20 0 JHADRO CCOCc1nnc(N(C)Cc2cccc(Br)c2)n1CC[NH+]1CCC(C)CC1 ZINC001314305039 1070091875 /nfs/dbraw/zinc/09/18/75/1070091875.db2.gz CKTBDFCEVCQJEK-UHFFFAOYSA-N 1 0 450.425 3.945 20 0 JHADRO O=C(C[NH2+][C@@H](COc1ccccc1)c1ccccc1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC001307633103 1070092109 /nfs/dbraw/zinc/09/21/09/1070092109.db2.gz PAZGFTMGCSIMGL-SANMLTNESA-N 1 0 457.574 3.949 20 0 JHADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)c(Br)c1 ZINC001307638561 1070094253 /nfs/dbraw/zinc/09/42/53/1070094253.db2.gz CQKIZQCYLVMOFB-NSHDSACASA-N 1 0 454.752 3.889 20 0 JHADRO Cc1cccc(Cc2cnc(NC(=O)C[NH2+][C@@H](CN3CCOCC3)c3ccccc3)s2)c1 ZINC001307639051 1070094345 /nfs/dbraw/zinc/09/43/45/1070094345.db2.gz BEXZBHPSJGOQFU-QHCPKHFHSA-N 1 0 450.608 3.644 20 0 JHADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)NCC1(c2ccccc2Br)CCCCC1 ZINC001312729223 1070095560 /nfs/dbraw/zinc/09/55/60/1070095560.db2.gz OHRMXICVLSXZEF-SFHVURJKSA-N 1 0 452.437 3.797 20 0 JHADRO C[NH+](C)C[C@H](NC(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1ccc(F)cc1 ZINC001312733845 1070097188 /nfs/dbraw/zinc/09/71/88/1070097188.db2.gz MTCKMQPVJAZVEZ-RXVVDRJESA-N 1 0 457.500 3.884 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CN(CC)c3ccccc3O2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314310022 1070097939 /nfs/dbraw/zinc/09/79/39/1070097939.db2.gz UXUWHXDMNWMSMZ-YPAWHYETSA-N 1 0 470.662 3.659 20 0 JHADRO CSc1ccc([C@H](CNC(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)[NH+](C)C)cc1 ZINC001312755509 1070105128 /nfs/dbraw/zinc/10/51/28/1070105128.db2.gz OUSAHKPALVULAC-YWZLYKJASA-N 1 0 455.546 3.579 20 0 JHADRO CCOCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001314321382 1070106554 /nfs/dbraw/zinc/10/65/54/1070106554.db2.gz IYFDXIDCWNRTSZ-BJLQDIEVSA-N 1 0 469.552 3.881 20 0 JHADRO CCN(Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307658356 1070107162 /nfs/dbraw/zinc/10/71/62/1070107162.db2.gz MUYNDLPHFZUTKF-HXUWFJFHSA-N 1 0 451.596 3.895 20 0 JHADRO CC(C)CNC(=O)c1ccccc1NC(=O)CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC001307658349 1070107330 /nfs/dbraw/zinc/10/73/30/1070107330.db2.gz MRUHQAHFAPPONW-NHCUHLMSSA-N 1 0 450.627 3.757 20 0 JHADRO CC(C)CNC(=O)c1ccccc1NC(=O)CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001307658351 1070107451 /nfs/dbraw/zinc/10/74/51/1070107451.db2.gz MRUHQAHFAPPONW-SFTDATJTSA-N 1 0 450.627 3.757 20 0 JHADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC001307660005 1070108199 /nfs/dbraw/zinc/10/81/99/1070108199.db2.gz XHSXFNJFCBPQDJ-IFXJQAMLSA-N 1 0 454.527 3.786 20 0 JHADRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C[C@@H]1[NH+]1CCCC1 ZINC001307661933 1070108837 /nfs/dbraw/zinc/10/88/37/1070108837.db2.gz LDMVINKQZXOIKQ-NBHGPNQESA-N 1 0 458.653 3.839 20 0 JHADRO CCOCc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314323978 1070109810 /nfs/dbraw/zinc/10/98/10/1070109810.db2.gz UHMRFMIEHBILOO-GNXKAVGDSA-N 1 0 471.646 3.669 20 0 JHADRO CCOCc1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001314323591 1070109855 /nfs/dbraw/zinc/10/98/55/1070109855.db2.gz GOISEIQNABEXOT-NZQKXSOJSA-N 1 0 471.646 3.739 20 0 JHADRO COC(=O)COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC001307664347 1070110217 /nfs/dbraw/zinc/11/02/17/1070110217.db2.gz FUQIAERVBNJQOK-LBPRGKRZSA-N 1 0 455.736 3.944 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CC1 ZINC001307668725 1070113508 /nfs/dbraw/zinc/11/35/08/1070113508.db2.gz TZWBWUDYHQDETL-MRXNPFEDSA-N 1 0 452.527 3.920 20 0 JHADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC001307668714 1070113575 /nfs/dbraw/zinc/11/35/75/1070113575.db2.gz SVBAANSOCWDLRA-VQTJNVASSA-N 1 0 450.670 3.931 20 0 JHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC001307668677 1070113615 /nfs/dbraw/zinc/11/36/15/1070113615.db2.gz FGNYYBICFUMCJV-FHWLQOOXSA-N 1 0 458.603 3.766 20 0 JHADRO C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307671517 1070115218 /nfs/dbraw/zinc/11/52/18/1070115218.db2.gz XJTZWTSZMMMZHP-YRNRMSPPSA-N 1 0 452.521 3.535 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC001312793144 1070123522 /nfs/dbraw/zinc/12/35/22/1070123522.db2.gz NJSXGHJRXMYYTE-XZDHIHRUSA-N 1 0 455.599 3.910 20 0 JHADRO COc1ccc([C@H](CNC(=O)C[NH2+][C@](C)(CO)c2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC001307691050 1070128377 /nfs/dbraw/zinc/12/83/77/1070128377.db2.gz BEHDXWQDIPRKIO-RBJSKKJNSA-N 1 0 457.574 3.922 20 0 JHADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC001312797029 1070127431 /nfs/dbraw/zinc/12/74/31/1070127431.db2.gz BQAUYQNLCULCGA-QGZVFWFLSA-N 1 0 456.388 3.955 20 0 JHADRO Cc1ccc(N(C(=O)C[NH2+][C@H](C)c2ccc3ncsc3c2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC001307698264 1070133464 /nfs/dbraw/zinc/13/34/64/1070133464.db2.gz CDEQMZJRXRNPRL-XLIONFOSSA-N 1 0 455.605 3.908 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@H](C)C1 ZINC001307707959 1070137841 /nfs/dbraw/zinc/13/78/41/1070137841.db2.gz RHYCBKURIALTLY-BVYCBKJFSA-N 1 0 455.565 3.923 20 0 JHADRO CC(C)(C)CCOc1cnccc1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001312814539 1070137952 /nfs/dbraw/zinc/13/79/52/1070137952.db2.gz SVRBPZZODVWAQW-GOTSBHOMSA-N 1 0 454.615 3.579 20 0 JHADRO CCOCc1nnc(N2CCC(c3cnn(C)c3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314341311 1070140197 /nfs/dbraw/zinc/14/01/97/1070140197.db2.gz YUOPNKIMORTIPQ-WOJBJXKFSA-N 1 0 457.667 3.689 20 0 JHADRO CCOC(=O)[C@]1(COC)CCC[N@H+](CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC001307712437 1070139726 /nfs/dbraw/zinc/13/97/26/1070139726.db2.gz KSKGISCSHULAPJ-AOYPEHQESA-N 1 0 456.558 3.665 20 0 JHADRO C[C@@H]1[C@@H](NC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001312815788 1070139791 /nfs/dbraw/zinc/13/97/91/1070139791.db2.gz NZXMEMBMJDEPOC-XXBNENTESA-N 1 0 455.002 3.861 20 0 JHADRO CCOCc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001314341424 1070141076 /nfs/dbraw/zinc/14/10/76/1070141076.db2.gz HAXORECBYJEKBK-UHFFFAOYSA-N 1 0 478.682 3.772 20 0 JHADRO CCOCc1nnc(N2CCC(CCCO)CC2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001314341451 1070141091 /nfs/dbraw/zinc/14/10/91/1070141091.db2.gz HNOCNMBZXYYJJD-NZQKXSOJSA-N 1 0 461.676 3.948 20 0 JHADRO CCOCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@H](C)Sc1ccccc1 ZINC001314343003 1070145807 /nfs/dbraw/zinc/14/58/07/1070145807.db2.gz PVYJLHUARMGLMD-FQEVSTJZSA-N 1 0 459.660 3.544 20 0 JHADRO C[C@@H](CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001312837976 1070148096 /nfs/dbraw/zinc/14/80/96/1070148096.db2.gz CBLBIYJJHACSJQ-GQDRMJRRSA-N 1 0 468.617 3.591 20 0 JHADRO CCO[C@@H]1C[C@](CO)(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1(C)C ZINC001312838455 1070148207 /nfs/dbraw/zinc/14/82/07/1070148207.db2.gz FKMCQROVZIXKLX-ZOJNDGCKSA-N 1 0 469.601 3.659 20 0 JHADRO CCOCc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314345035 1070149848 /nfs/dbraw/zinc/14/98/48/1070149848.db2.gz FLHUYUQDGCYEDF-NQIIRXRSSA-N 1 0 490.624 3.608 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314347204 1070154424 /nfs/dbraw/zinc/15/44/24/1070154424.db2.gz WEIAXMCHOCWYDN-PMACEKPBSA-N 1 0 478.682 3.676 20 0 JHADRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(I)cc2)C1 ZINC001307732957 1070156668 /nfs/dbraw/zinc/15/66/68/1070156668.db2.gz SSQXZZKDWIULHX-FCLVOEFKSA-N 1 0 456.368 3.881 20 0 JHADRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307744334 1070162047 /nfs/dbraw/zinc/16/20/47/1070162047.db2.gz AMCVTRSVKIFKHR-VQTJNVASSA-N 1 0 453.624 3.782 20 0 JHADRO CCOCc1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001314348495 1070158320 /nfs/dbraw/zinc/15/83/20/1070158320.db2.gz FFYWITZAUATGKH-JOCHJYFZSA-N 1 0 487.664 3.896 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c2ccccc2)cc1 ZINC001307743035 1070161908 /nfs/dbraw/zinc/16/19/08/1070161908.db2.gz ZENHMRZOXDTAFE-KXTAGPOFSA-N 1 0 458.624 3.673 20 0 JHADRO CCOCc1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001314349416 1070163542 /nfs/dbraw/zinc/16/35/42/1070163542.db2.gz NCESLQZRKGCPGE-CJFMBICVSA-N 1 0 459.610 3.706 20 0 JHADRO C[C@H]([NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001307750087 1070165890 /nfs/dbraw/zinc/16/58/90/1070165890.db2.gz WGXOWJBAFCSUIE-KYZVSKTDSA-N 1 0 455.502 3.959 20 0 JHADRO CCOCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001314351616 1070171641 /nfs/dbraw/zinc/17/16/41/1070171641.db2.gz BXLSSCSNUGHEMF-UHFFFAOYSA-N 1 0 481.563 3.963 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001314357235 1070178911 /nfs/dbraw/zinc/17/89/11/1070178911.db2.gz XWJGAIMAQAMVBO-FQEVSTJZSA-N 1 0 471.646 3.559 20 0 JHADRO CC(C)[NH2+]C1(CO)CCN(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 ZINC001307786232 1070182028 /nfs/dbraw/zinc/18/20/28/1070182028.db2.gz VYANBASOSWDFGQ-UHFFFAOYSA-N 1 0 457.427 3.880 20 0 JHADRO CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC001307791541 1070183766 /nfs/dbraw/zinc/18/37/66/1070183766.db2.gz CIWNESUUOOCWLK-AFMYVXGZSA-N 1 0 451.633 3.611 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C(C)C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001314361134 1070185218 /nfs/dbraw/zinc/18/52/18/1070185218.db2.gz NMDSKUQPMBXSNT-DEOSSOPVSA-N 1 0 454.663 3.505 20 0 JHADRO CCOC(=O)c1c2c(sc1NC(=O)CN(C)Cc1ccc(C)cn1)C(C)(C)[NH2+]C(C)(C)C2 ZINC001307795836 1070185264 /nfs/dbraw/zinc/18/52/64/1070185264.db2.gz NEMQAVBZDQATCJ-UHFFFAOYSA-N 1 0 458.628 3.858 20 0 JHADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)C1 ZINC001312927889 1070185734 /nfs/dbraw/zinc/18/57/34/1070185734.db2.gz ZMHCAEBHRKWMEX-KHVVASAOSA-N 1 0 458.603 3.529 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001314363910 1070189718 /nfs/dbraw/zinc/18/97/18/1070189718.db2.gz CMSWWFMLKYWYMN-IBGZPJMESA-N 1 0 459.639 3.970 20 0 JHADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC001307806932 1070192447 /nfs/dbraw/zinc/19/24/47/1070192447.db2.gz JZZDWRXGQSLCBJ-IAGOWNOFSA-N 1 0 454.162 3.788 20 0 JHADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001312956427 1070197975 /nfs/dbraw/zinc/19/79/75/1070197975.db2.gz APRBUGKVEGEWJF-PXDATVDWSA-N 1 0 459.631 3.571 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001314366158 1070198022 /nfs/dbraw/zinc/19/80/22/1070198022.db2.gz OYCRDBHMXJVZDW-VXKWHMMOSA-N 1 0 467.618 3.755 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1Cc1nccc(C(F)F)n1 ZINC001314365260 1070194131 /nfs/dbraw/zinc/19/41/31/1070194131.db2.gz LIPIACAQFNJHDX-QZTJIDSGSA-N 1 0 463.577 3.681 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCC1CC[NH+](CC)CC1 ZINC001314364861 1070194297 /nfs/dbraw/zinc/19/42/97/1070194297.db2.gz KBTXYVABFVPEIW-OAQYLSRUSA-N 1 0 478.682 3.678 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001314366159 1070198210 /nfs/dbraw/zinc/19/82/10/1070198210.db2.gz OYCRDBHMXJVZDW-YADHBBJMSA-N 1 0 467.618 3.755 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001314367080 1070200075 /nfs/dbraw/zinc/20/00/75/1070200075.db2.gz HBVAGMISNPOJGQ-RTWAWAEBSA-N 1 0 478.682 3.915 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001314367014 1070200307 /nfs/dbraw/zinc/20/03/07/1070200307.db2.gz QKBKMMHSWOIPTM-RTWAWAEBSA-N 1 0 478.682 3.772 20 0 JHADRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC001307820310 1070200342 /nfs/dbraw/zinc/20/03/42/1070200342.db2.gz ULRJMGHKZRYLSJ-CYBMUJFWSA-N 1 0 453.345 3.771 20 0 JHADRO CC(C)(C)OC(=O)Nc1cccc(C2CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)c1 ZINC001307829411 1070203962 /nfs/dbraw/zinc/20/39/62/1070203962.db2.gz SUVAIZNYBDSFAQ-SFHVURJKSA-N 1 0 451.633 3.885 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001307830589 1070204301 /nfs/dbraw/zinc/20/43/01/1070204301.db2.gz LYZYOVZSISHSKG-OXQOHEQNSA-N 1 0 457.575 3.709 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCCN1CCCCCC1=O ZINC001314368992 1070204816 /nfs/dbraw/zinc/20/48/16/1070204816.db2.gz YKAPDUYPIAWISQ-XZOQPEGZSA-N 1 0 474.694 3.698 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CCc1ccc(NC(C)=O)cc1 ZINC001314369004 1070204895 /nfs/dbraw/zinc/20/48/95/1070204895.db2.gz YNKLQITYOYZIQW-XMMPIXPASA-N 1 0 482.673 3.964 20 0 JHADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1F ZINC001307831229 1070204834 /nfs/dbraw/zinc/20/48/34/1070204834.db2.gz LJITWLMLNIJWFZ-WNSKOXEYSA-N 1 0 450.501 3.905 20 0 JHADRO CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001312972414 1070204899 /nfs/dbraw/zinc/20/48/99/1070204899.db2.gz WYWXEBRCHYCOAG-QFIPXVFZSA-N 1 0 459.635 3.725 20 0 JHADRO C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001307838310 1070206476 /nfs/dbraw/zinc/20/64/76/1070206476.db2.gz TXIBQBSWWIVQOU-JRGCBEDISA-N 1 0 465.660 3.760 20 0 JHADRO CCOCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001314370392 1070207237 /nfs/dbraw/zinc/20/72/37/1070207237.db2.gz WVMSMQJFYBAZQX-NRFANRHFSA-N 1 0 455.651 3.600 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001307830587 1070204090 /nfs/dbraw/zinc/20/40/90/1070204090.db2.gz LYZYOVZSISHSKG-JXFKEZNVSA-N 1 0 457.575 3.709 20 0 JHADRO COc1ccc([C@@H](O)C[N@H+](CCn2cnc(Br)n2)[C@H](C)Cc2ccccc2)cc1 ZINC001307846310 1070209563 /nfs/dbraw/zinc/20/95/63/1070209563.db2.gz VIOIIMNVNIJQSB-UTKZUKDTSA-N 1 0 459.388 3.716 20 0 JHADRO CC[C@H]([NH2+]CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)[C@H]1CC1(C)C ZINC001307853345 1070212394 /nfs/dbraw/zinc/21/23/94/1070212394.db2.gz QNMMKGOACBAJCS-HVVZCKNESA-N 1 0 450.004 3.907 20 0 JHADRO C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307859016 1070212778 /nfs/dbraw/zinc/21/27/78/1070212778.db2.gz NOBZRKIDPQUJET-QYZOEREBSA-N 1 0 454.615 3.924 20 0 JHADRO CCOCc1nnc(N2CCCC[C@H](SC)C2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001314376698 1070216865 /nfs/dbraw/zinc/21/68/65/1070216865.db2.gz PPHQWQLMWAPBSU-FQEVSTJZSA-N 1 0 451.681 3.572 20 0 JHADRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001307883084 1070223083 /nfs/dbraw/zinc/22/30/83/1070223083.db2.gz QIASLBMVXRVTPN-ORYQWCPZSA-N 1 0 474.985 3.593 20 0 JHADRO COC(=O)[C@]12C[N@H+](CCC(=O)Nc3ccc(C(=O)Nc4ccccc4OC)cc3)C[C@H]1CCCC2 ZINC001307883420 1070223100 /nfs/dbraw/zinc/22/31/00/1070223100.db2.gz UKYNZAVDLLCUAK-NFQMXDRXSA-N 1 0 479.577 3.941 20 0 JHADRO CCOCc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314378118 1070220214 /nfs/dbraw/zinc/22/02/14/1070220214.db2.gz YJUVNPRGQWOPAM-UHFFFAOYSA-N 1 0 474.694 3.698 20 0 JHADRO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c1C ZINC001307877443 1070220666 /nfs/dbraw/zinc/22/06/66/1070220666.db2.gz MCDHQPVWQBWZKE-FQEVSTJZSA-N 1 0 454.546 3.509 20 0 JHADRO CCOCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001314379636 1070222512 /nfs/dbraw/zinc/22/25/12/1070222512.db2.gz ZVHAHAHISNBOPO-SANMLTNESA-N 1 0 473.637 3.997 20 0 JHADRO CCc1oc(C(=O)OC)cc1C[N@H+](CCOC)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001307893082 1070228131 /nfs/dbraw/zinc/22/81/31/1070228131.db2.gz FSGYJXVXBFCSDW-UHFFFAOYSA-N 1 0 458.555 3.878 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314381489 1070224489 /nfs/dbraw/zinc/22/44/89/1070224489.db2.gz JTJIADRUOINIDC-ZRZAMGCNSA-N 1 0 496.700 3.842 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001314381197 1070224665 /nfs/dbraw/zinc/22/46/65/1070224665.db2.gz HBEJHISSDUIYNK-HXUWFJFHSA-N 1 0 496.681 3.667 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001314386312 1070232841 /nfs/dbraw/zinc/23/28/41/1070232841.db2.gz YLLUWRUWIJDJDV-NRFANRHFSA-N 1 0 498.672 3.904 20 0 JHADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)CC1 ZINC001307896331 1070230080 /nfs/dbraw/zinc/23/00/80/1070230080.db2.gz LHSGGZNKKAFBFV-AREMUKBSSA-N 1 0 456.030 3.713 20 0 JHADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCO[C@H](c3c(F)cccc3Cl)C2)CC1 ZINC001307899568 1070230680 /nfs/dbraw/zinc/23/06/80/1070230680.db2.gz BHGNQRZSSQQTCC-QHCPKHFHSA-N 1 0 459.993 3.942 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001314385556 1070231099 /nfs/dbraw/zinc/23/10/99/1070231099.db2.gz MDLMBQPCFWGBMU-FQEVSTJZSA-N 1 0 499.660 3.572 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001314386143 1070231795 /nfs/dbraw/zinc/23/17/95/1070231795.db2.gz ATXWHPUBAINSJY-LEWJYISDSA-N 1 0 478.682 3.772 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC001313039850 1070232248 /nfs/dbraw/zinc/23/22/48/1070232248.db2.gz IMAAKGDZZZGJDH-DHIUTWEWSA-N 1 0 458.553 3.779 20 0 JHADRO O=C(N1C[C@@H]([NH2+]Cc2cn3cc(Br)ccc3n2)Cc2ccccc21)C(F)(F)F ZINC001307914498 1070237728 /nfs/dbraw/zinc/23/77/28/1070237728.db2.gz QMBYBJBVAVLNDI-AWEZNQCLSA-N 1 0 453.262 3.707 20 0 JHADRO CCOC(=O)c1c(NC(=O)CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)sc2c1CCC2 ZINC001307911093 1070236084 /nfs/dbraw/zinc/23/60/84/1070236084.db2.gz VWMXQKXSGQIADN-LJQANCHMSA-N 1 0 455.624 3.601 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314388807 1070240198 /nfs/dbraw/zinc/24/01/98/1070240198.db2.gz MQKOZVFZWRYCDB-DCLXLUIPSA-N 1 0 475.707 3.665 20 0 JHADRO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)c(C)c1 ZINC001307918777 1070240825 /nfs/dbraw/zinc/24/08/25/1070240825.db2.gz OAIJYDHKJYWQRW-RUZDIDTESA-N 1 0 458.002 3.701 20 0 JHADRO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)c(C)c1 ZINC001307918778 1070241006 /nfs/dbraw/zinc/24/10/06/1070241006.db2.gz OAIJYDHKJYWQRW-VWLOTQADSA-N 1 0 458.002 3.701 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC001307927333 1070246276 /nfs/dbraw/zinc/24/62/76/1070246276.db2.gz AZIGEQPIHRGCAR-ZHRRBRCNSA-N 1 0 453.421 3.906 20 0 JHADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001313082941 1070244893 /nfs/dbraw/zinc/24/48/93/1070244893.db2.gz XXSIPIXUIMMNSK-GOTSBHOMSA-N 1 0 456.631 3.987 20 0 JHADRO CCN(CC)C(=O)c1ccc(NC(=O)CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)cc1 ZINC001307945821 1070253572 /nfs/dbraw/zinc/25/35/72/1070253572.db2.gz CYPKFCBYZKGENE-RUZDIDTESA-N 1 0 450.627 3.950 20 0 JHADRO CC[N@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001307945823 1070253763 /nfs/dbraw/zinc/25/37/63/1070253763.db2.gz CYXSOWKTXVSQHG-AWEZNQCLSA-N 1 0 450.440 3.712 20 0 JHADRO Cc1cccc(C)c1OC[C@@H](O)CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001313122934 1070258649 /nfs/dbraw/zinc/25/86/49/1070258649.db2.gz RGUDFLAYWAVZQF-FXAWDEMLSA-N 1 0 454.398 3.952 20 0 JHADRO CN(C[C@@](C)(O)C[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1)C(=O)OC(C)(C)C ZINC001307956500 1070257743 /nfs/dbraw/zinc/25/77/43/1070257743.db2.gz VPJOYXUOLPPXQL-XMMPIXPASA-N 1 0 450.624 3.990 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001314401310 1070262921 /nfs/dbraw/zinc/26/29/21/1070262921.db2.gz SRPXDKSSIQNIFT-MOPGFXCFSA-N 1 0 466.399 3.962 20 0 JHADRO 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CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCc3ncc(Br)n3C2)CC1)CC(C)C ZINC001313416735 1070353566 /nfs/dbraw/zinc/35/35/66/1070353566.db2.gz BEQGYGOSPIXBCU-SFHVURJKSA-N 1 0 454.457 3.750 20 0 JHADRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2=O)n(C)n1 ZINC001308296234 1070353677 /nfs/dbraw/zinc/35/36/77/1070353677.db2.gz XLUMCOOWBPDDDL-IAQYHMDHSA-N 1 0 457.884 3.513 20 0 JHADRO Cc1ccc(C2(NC(=O)NC[C@@H](C)N3CC[NH+](C)CC3)CCCCC2)c(Br)c1 ZINC001313429078 1070357521 /nfs/dbraw/zinc/35/75/21/1070357521.db2.gz XUVNGMPQMOXGGE-GOSISDBHSA-N 1 0 451.453 3.852 20 0 JHADRO COc1cc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc(Cl)c1OC ZINC001308334152 1070358711 /nfs/dbraw/zinc/35/87/11/1070358711.db2.gz UPSXDYZNQPTPFA-UHFFFAOYSA-N 1 0 453.866 3.819 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCCNC(=O)OCc2ccccc2)C1 ZINC001313424546 1070355429 /nfs/dbraw/zinc/35/54/29/1070355429.db2.gz FMJDQCQGGSZQKX-OYRHEFFESA-N 1 0 452.599 3.890 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001313446740 1070364645 /nfs/dbraw/zinc/36/46/45/1070364645.db2.gz FELCWVGPEGYPJQ-VXKWHMMOSA-N 1 0 473.687 3.740 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]CCCNC(=O)/C=C\c1ccccc1)CCO2 ZINC001308382179 1070364440 /nfs/dbraw/zinc/36/44/40/1070364440.db2.gz WRMYCZMQFIGQIB-YRBAHSOBSA-N 1 0 457.615 3.744 20 0 JHADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC001308349998 1070360412 /nfs/dbraw/zinc/36/04/12/1070360412.db2.gz PBJBPQHJEQPIBY-LJQANCHMSA-N 1 0 450.377 3.770 20 0 JHADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC001308356217 1070360762 /nfs/dbraw/zinc/36/07/62/1070360762.db2.gz IEDQCPDLAGOXRU-NJSLBKSFSA-N 1 0 453.352 3.703 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001313447923 1070369505 /nfs/dbraw/zinc/36/95/05/1070369505.db2.gz MFKOAXHXJZHMRN-URVUXULASA-N 1 0 457.619 3.664 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCCOC)CC1 ZINC001313447388 1070366458 /nfs/dbraw/zinc/36/64/58/1070366458.db2.gz JFCZICWZFDSSGN-SFHVURJKSA-N 1 0 495.466 3.542 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313447462 1070366819 /nfs/dbraw/zinc/36/68/19/1070366819.db2.gz IMLYQPMQPZVQER-KHOMTPLRSA-N 1 0 489.064 3.908 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313447456 1070366872 /nfs/dbraw/zinc/36/68/72/1070366872.db2.gz IMLYQPMQPZVQER-AOUJKTHWSA-N 1 0 489.064 3.908 20 0 JHADRO O=C([C@H](C[NH2+]Cc1ccc(Br)c(F)c1)Cc1cccc(F)c1)N1CCOCC1 ZINC001308394673 1070367899 /nfs/dbraw/zinc/36/78/99/1070367899.db2.gz SBJTXUHDUXKCPL-KRWDZBQOSA-N 1 0 453.327 3.535 20 0 JHADRO COc1cc(C[NH2+]C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc(C(F)(F)F)c1 ZINC001308394694 1070368086 /nfs/dbraw/zinc/36/80/86/1070368086.db2.gz TWSOGZOFAKRNGR-SFHVURJKSA-N 1 0 454.464 3.660 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001313447921 1070368924 /nfs/dbraw/zinc/36/89/24/1070368924.db2.gz MFKOAXHXJZHMRN-ONTIZHBOSA-N 1 0 457.619 3.664 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3OCC(=O)NCC3CC3)C[C@H]2C1 ZINC001308432729 1070374742 /nfs/dbraw/zinc/37/47/42/1070374742.db2.gz NEENRPNQKHOBMT-FKBYEOEOSA-N 1 0 457.615 3.717 20 0 JHADRO COc1cc(F)c(C[NH2+]C2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1OC ZINC001308411776 1070372150 /nfs/dbraw/zinc/37/21/50/1070372150.db2.gz GSLZSUIUWRLGGI-INIZCTEOSA-N 1 0 450.576 3.562 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)OC)CC1 ZINC001313448723 1070372158 /nfs/dbraw/zinc/37/21/58/1070372158.db2.gz OFAMFLHFXQGJLU-VXKWHMMOSA-N 1 0 484.645 3.798 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001313448865 1070372235 /nfs/dbraw/zinc/37/22/35/1070372235.db2.gz SJYAMKPRGPZOTL-SFTDATJTSA-N 1 0 480.078 3.876 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001314464449 1070374207 /nfs/dbraw/zinc/37/42/07/1070374207.db2.gz GBZDCRZMEXTSMU-UHFFFAOYSA-N 1 0 487.446 3.957 20 0 JHADRO CCCN1CCCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001313449683 1070374359 /nfs/dbraw/zinc/37/43/59/1070374359.db2.gz QAWKECKPCVZWTB-LEWJYISDSA-N 1 0 486.636 3.565 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(COc2ccccc2)CC1 ZINC001313450289 1070377301 /nfs/dbraw/zinc/37/73/01/1070377301.db2.gz WEQKECUHEFCBRC-QFIPXVFZSA-N 1 0 468.646 3.586 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cc2ccccc2o1 ZINC001313450285 1070377336 /nfs/dbraw/zinc/37/73/36/1070377336.db2.gz WAJYOJIRNBZUSN-GGPKGHCWSA-N 1 0 488.658 3.706 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313450490 1070377998 /nfs/dbraw/zinc/37/79/98/1070377998.db2.gz LMSDJNGRQZXRPB-VXKWHMMOSA-N 1 0 486.636 3.986 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001313450941 1070378560 /nfs/dbraw/zinc/37/85/60/1070378560.db2.gz PECLATYLGNSHBH-NRFANRHFSA-N 1 0 456.635 3.523 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313451073 1070379436 /nfs/dbraw/zinc/37/94/36/1070379436.db2.gz UHNHAQSRVCVQOR-HKBOAZHASA-N 1 0 476.666 3.888 20 0 JHADRO COc1cc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C2CCCCC2)cc(OC)c1OCC(N)=O ZINC001308497058 1070381922 /nfs/dbraw/zinc/38/19/22/1070381922.db2.gz FAZHGQCIQBWWOD-QHCPKHFHSA-N 1 0 452.555 3.855 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](OC)C1 ZINC001313453360 1070385480 /nfs/dbraw/zinc/38/54/80/1070385480.db2.gz QISIBCOBEZWMOW-ICSRJNTNSA-N 1 0 478.435 3.719 20 0 JHADRO CCOc1c(Br)cc(Br)cc1C[NH2+][C@H](CC)CN1CCOCC1 ZINC001308526820 1070386128 /nfs/dbraw/zinc/38/61/28/1070386128.db2.gz PYIMQMNCYCEGNV-OAHLLOKOSA-N 1 0 450.215 3.811 20 0 JHADRO CCOc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)ccc1O[C@H](C)C(=O)N(C)C ZINC001308548104 1070387904 /nfs/dbraw/zinc/38/79/04/1070387904.db2.gz MNRZDNSMPPFIAC-LMCOJAPRSA-N 1 0 461.603 3.571 20 0 JHADRO CCOCCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001314477614 1070388064 /nfs/dbraw/zinc/38/80/64/1070388064.db2.gz OOSTUMUPSOZJHY-UXHICEINSA-N 1 0 464.655 3.555 20 0 JHADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)cnn1C ZINC001308567245 1070391611 /nfs/dbraw/zinc/39/16/11/1070391611.db2.gz SADHOSUBVCRKCC-LADGPHEKSA-N 1 0 455.647 3.618 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313455243 1070391905 /nfs/dbraw/zinc/39/19/05/1070391905.db2.gz KWTLFEHDCPTXBY-HHHXNRCGSA-N 1 0 495.672 3.801 20 0 JHADRO C[N@H+](CCN1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1)Cc1ccccc1 ZINC001308615061 1070402400 /nfs/dbraw/zinc/40/24/00/1070402400.db2.gz CIJDTOPWIHYBEL-UHFFFAOYSA-N 1 0 459.425 3.824 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)COC)c2ccccc2c1=O ZINC001313458444 1070403119 /nfs/dbraw/zinc/40/31/19/1070403119.db2.gz FONTWTLYYJKGEG-UHFFFAOYSA-N 1 0 495.672 3.516 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)OC)C[C@@H]1CC ZINC001314495120 1070411925 /nfs/dbraw/zinc/41/19/25/1070411925.db2.gz DQUHVQMEUNKSNU-SFHVURJKSA-N 1 0 450.027 3.961 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)c2cc(C)oc2C)C[C@@H]1CC ZINC001314494130 1070409249 /nfs/dbraw/zinc/40/92/49/1070409249.db2.gz NOIPPJGWWMFFIE-CPJSRVTESA-N 1 0 461.651 3.630 20 0 JHADRO COC(=O)[C@H](C)Oc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC001308681469 1070417551 /nfs/dbraw/zinc/41/75/51/1070417551.db2.gz AXGQIYCURKMSKA-FXAWDEMLSA-N 1 0 454.571 3.858 20 0 JHADRO COc1ccc(-c2noc(CN3CC[NH+](C[C@H](C)Cc4ccc(OC)c(F)c4)CC3)n2)cc1 ZINC001308658878 1070412458 /nfs/dbraw/zinc/41/24/58/1070412458.db2.gz VKQXLVXHUXZPLX-GOSISDBHSA-N 1 0 454.546 3.889 20 0 JHADRO CCOC(=O)Cn1cc(C[NH2+]Cc2ccc(Br)cc2OC)c(-c2cccnc2)n1 ZINC001308707555 1070422731 /nfs/dbraw/zinc/42/27/31/1070422731.db2.gz VIKLVLPIDQMAMQ-UHFFFAOYSA-N 1 0 459.344 3.569 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)CC)n2CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001313462633 1070422449 /nfs/dbraw/zinc/42/24/49/1070422449.db2.gz ZVVGNOUOSQUANW-NFBKMPQASA-N 1 0 466.674 3.633 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCCC2)C[C@H]1CC ZINC001314498335 1070423808 /nfs/dbraw/zinc/42/38/08/1070423808.db2.gz CKQJNGPQLSSWGT-JOCHJYFZSA-N 1 0 476.065 3.765 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cc(C)no2)C[C@H]1CC ZINC001314498729 1070424781 /nfs/dbraw/zinc/42/47/81/1070424781.db2.gz FVKRAFSCBGZIHD-OAQYLSRUSA-N 1 0 473.021 3.804 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001313463546 1070425015 /nfs/dbraw/zinc/42/50/15/1070425015.db2.gz DUDWJSGWOZOJEU-GGAORHGYSA-N 1 0 470.637 3.625 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001313463981 1070425182 /nfs/dbraw/zinc/42/51/82/1070425182.db2.gz FITFTAMJCLFOFG-DHIUTWEWSA-N 1 0 478.641 3.816 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2OCCC2(C)C)C[C@@H]1CC ZINC001314498977 1070425638 /nfs/dbraw/zinc/42/56/38/1070425638.db2.gz VHESQENETREHID-SFTDATJTSA-N 1 0 461.676 3.683 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2OCCC2(C)C)C[C@@H]1CC ZINC001314498970 1070425658 /nfs/dbraw/zinc/42/56/58/1070425658.db2.gz VHESQENETREHID-LEWJYISDSA-N 1 0 461.676 3.683 20 0 JHADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001308733254 1070428432 /nfs/dbraw/zinc/42/84/32/1070428432.db2.gz OITLRVMBKMYQLK-UHFFFAOYSA-N 1 0 452.592 3.585 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CC ZINC001314499247 1070426250 /nfs/dbraw/zinc/42/62/50/1070426250.db2.gz BJRFIRYEFOCSAG-FPOVZHCZSA-N 1 0 481.563 3.786 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCO[C@@H](C)C2)C[C@@H]1CC ZINC001314499433 1070427382 /nfs/dbraw/zinc/42/73/82/1070427382.db2.gz KHTNBRZVXQLJEP-ARNLJNQMSA-N 1 0 469.674 3.930 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCO[C@@H](C)C2)C[C@H]1CC ZINC001314499434 1070427414 /nfs/dbraw/zinc/42/74/14/1070427414.db2.gz KHTNBRZVXQLJEP-JBRSBNLGSA-N 1 0 469.674 3.930 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(Cl)s2)C[C@H]1CC ZINC001314499486 1070427956 /nfs/dbraw/zinc/42/79/56/1070427956.db2.gz LFCKUDAAXOTSHX-LJQANCHMSA-N 1 0 475.062 3.964 20 0 JHADRO CCOCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001314500656 1070431515 /nfs/dbraw/zinc/43/15/15/1070431515.db2.gz XDWRJFSGYPWUSW-HSZRJFAPSA-N 1 0 489.108 3.801 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)C1(C)C ZINC001308761857 1070432630 /nfs/dbraw/zinc/43/26/30/1070432630.db2.gz FFCAXZCZWGBFBS-CEYNDMKZSA-N 1 0 456.587 3.693 20 0 JHADRO Cc1ccc(C[C@@H](CO)C[NH2+]C2CC3(C[C@H]3NC(=O)OC(C)(C)C)C2)cc1Br ZINC001308770734 1070435174 /nfs/dbraw/zinc/43/51/74/1070435174.db2.gz UXDHCUSBLABRRH-JPNCZVRGSA-N 1 0 453.421 3.944 20 0 JHADRO CCOCCOc1cc(C)ccc1Cn1c(-c2ccccn2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001314502686 1070438196 /nfs/dbraw/zinc/43/81/96/1070438196.db2.gz GBQIKGZPBSYRFE-NRFANRHFSA-N 1 0 464.614 3.643 20 0 JHADRO C[C@H]1CC[C@H]([NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CN1C(=O)OC(C)(C)C ZINC001308794702 1070438813 /nfs/dbraw/zinc/43/88/13/1070438813.db2.gz BSZIDOLKIXELCV-HKUYNNGSSA-N 1 0 456.587 3.933 20 0 JHADRO C[NH+](C)Cc1ccc(CN2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c2c1OC(F)(F)O2 ZINC001308793065 1070438884 /nfs/dbraw/zinc/43/88/84/1070438884.db2.gz NHGDDOLYMZQISI-QAPCUYQASA-N 1 0 453.530 3.901 20 0 JHADRO COC(=O)c1ccc(COc2ccc(C[NH2+]Cc3ccnc(N4CCCC4)c3)cc2OC)o1 ZINC001308801498 1070439710 /nfs/dbraw/zinc/43/97/10/1070439710.db2.gz MIFYAMQTXZVYIO-UHFFFAOYSA-N 1 0 451.523 3.939 20 0 JHADRO CC(C)(C)OC(=O)NC1(CC[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)CCOCC1 ZINC001308802238 1070440302 /nfs/dbraw/zinc/44/03/02/1070440302.db2.gz OOMKMJXPTCZIMN-FQEVSTJZSA-N 1 0 453.624 3.974 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001313467240 1070441263 /nfs/dbraw/zinc/44/12/63/1070441263.db2.gz OWKITOWYLSMFAV-NRFANRHFSA-N 1 0 482.673 3.961 20 0 JHADRO Cn1cc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)c(C2CCOCC2)n1 ZINC001308818440 1070442739 /nfs/dbraw/zinc/44/27/39/1070442739.db2.gz UDTOPBAXWJAGSO-RBBKRZOGSA-N 1 0 458.578 3.946 20 0 JHADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)cnn1C ZINC001308842180 1070446840 /nfs/dbraw/zinc/44/68/40/1070446840.db2.gz ANQGRHDJABZFEE-NVQXNPDNSA-N 1 0 455.647 3.666 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN2Cc2ccccc2)CC1 ZINC001314507339 1070454590 /nfs/dbraw/zinc/45/45/90/1070454590.db2.gz HCGGTDCUNCYHCC-OAQYLSRUSA-N 1 0 473.687 3.644 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001313469567 1070453071 /nfs/dbraw/zinc/45/30/71/1070453071.db2.gz XEOXRRNXJSGFSW-GOSISDBHSA-N 1 0 459.038 3.683 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(CO[C@H](C[NH2+]Cc3cc(Br)cnc3F)C2)CC1 ZINC001308925307 1070460419 /nfs/dbraw/zinc/46/04/19/1070460419.db2.gz NTICUTWGRDRYFA-INIZCTEOSA-N 1 0 458.372 3.879 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001313470218 1070455923 /nfs/dbraw/zinc/45/59/23/1070455923.db2.gz LWYLVQMNMGIQSO-NRFANRHFSA-N 1 0 467.662 3.512 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+](C(C)C)C(C)C)C12CCCC2 ZINC001314508111 1070457213 /nfs/dbraw/zinc/45/72/13/1070457213.db2.gz WUQZMZGWBPYKCU-PCCBWWKXSA-N 1 0 460.667 3.522 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001314508154 1070457340 /nfs/dbraw/zinc/45/73/40/1070457340.db2.gz NMJNNWRQDSPPID-HXUWFJFHSA-N 1 0 475.703 3.890 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313472087 1070464992 /nfs/dbraw/zinc/46/49/92/1070464992.db2.gz UKZSKRMBVRHIDQ-FQEVSTJZSA-N 1 0 452.647 3.728 20 0 JHADRO COCC[C@H](C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)NC(=O)OC(C)(C)C ZINC001308961156 1070466231 /nfs/dbraw/zinc/46/62/31/1070466231.db2.gz RBAGLWSVBCUWCL-NQIIRXRSSA-N 1 0 457.409 3.662 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001314510374 1070466445 /nfs/dbraw/zinc/46/64/45/1070466445.db2.gz VTZZYXGERRXPIT-UHFFFAOYSA-N 1 0 491.677 3.676 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(C[C@@H](C[NH2+]Cc3ccc(OC(F)F)c(F)c3)OC2=O)CC1 ZINC001308946071 1070463568 /nfs/dbraw/zinc/46/35/68/1070463568.db2.gz JPMVDHAQNONRDH-HNNXBMFYSA-N 1 0 458.477 3.850 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(C[C@H](C[NH2+][C@H]3CCCN(Cc4ccccc4)C3)OC2=O)CC1 ZINC001308946296 1070463827 /nfs/dbraw/zinc/46/38/27/1070463827.db2.gz MHMSAKOCSNFDEX-FCHUYYIVSA-N 1 0 457.615 3.573 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314511050 1070468608 /nfs/dbraw/zinc/46/86/08/1070468608.db2.gz GBLQTBVWBVPOFU-FQEVSTJZSA-N 1 0 479.735 3.925 20 0 JHADRO COc1cc([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)ccc1S(C)(=O)=O ZINC001308984134 1070470144 /nfs/dbraw/zinc/47/01/44/1070470144.db2.gz XFQUYUNEHCUDLR-VBZNHOPUSA-N 1 0 452.617 3.927 20 0 JHADRO CCCNC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001313475912 1070478720 /nfs/dbraw/zinc/47/87/20/1070478720.db2.gz JCKVQDTUHFQDMN-QFIPXVFZSA-N 1 0 482.673 3.818 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@H+](C)C(C)C ZINC001314513798 1070480761 /nfs/dbraw/zinc/48/07/61/1070480761.db2.gz VIBWMTZFMWBCQJ-QZTJIDSGSA-N 1 0 481.732 3.731 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001313476984 1070483152 /nfs/dbraw/zinc/48/31/52/1070483152.db2.gz MJKFXLNEWBQYBF-LJQANCHMSA-N 1 0 489.064 3.595 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001314515554 1070486657 /nfs/dbraw/zinc/48/66/57/1070486657.db2.gz HPXMFVXEVMCVFN-ZWKOTPCHSA-N 1 0 468.067 3.590 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314519059 1070500506 /nfs/dbraw/zinc/50/05/06/1070500506.db2.gz NNMPCXCRYYPYLX-WOJBJXKFSA-N 1 0 486.686 3.806 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001314519712 1070503133 /nfs/dbraw/zinc/50/31/33/1070503133.db2.gz XWWYWXQSBSYLHL-RTWAWAEBSA-N 1 0 461.676 3.633 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314521325 1070507259 /nfs/dbraw/zinc/50/72/59/1070507259.db2.gz QSJGKOMDYCGXGB-OAQYLSRUSA-N 1 0 482.094 3.980 20 0 JHADRO CCCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313488556 1070507410 /nfs/dbraw/zinc/50/74/10/1070507410.db2.gz SPNQWFRTIXJFJW-NRFANRHFSA-N 1 0 470.662 3.872 20 0 JHADRO CC(=O)c1cc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)ccc1Br ZINC001309060487 1070514422 /nfs/dbraw/zinc/51/44/22/1070514422.db2.gz KIBWNCGSYHZDCO-UHFFFAOYSA-N 1 0 457.434 3.928 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001313501407 1070525059 /nfs/dbraw/zinc/52/50/59/1070525059.db2.gz DXJGDOBRSIANMY-SFTDATJTSA-N 1 0 498.672 3.530 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001313501873 1070527018 /nfs/dbraw/zinc/52/70/18/1070527018.db2.gz CVBNPRGUTVVOCF-CCLHPLFOSA-N 1 0 498.672 3.565 20 0 JHADRO O=S(=O)(Cc1cccc(F)c1Br)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001309090124 1070533621 /nfs/dbraw/zinc/53/36/21/1070533621.db2.gz JHRWIFKVGJVHCU-UHFFFAOYSA-N 1 0 455.393 3.920 20 0 JHADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001309089515 1070533023 /nfs/dbraw/zinc/53/30/23/1070533023.db2.gz CJAFOYXNWRWKNN-CQSZACIVSA-N 1 0 455.379 3.561 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1OC ZINC001313503625 1070534160 /nfs/dbraw/zinc/53/41/60/1070534160.db2.gz KKAQHDKRNWBFTB-LJQANCHMSA-N 1 0 457.619 3.842 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC(C(=O)NC)CC3)n2CC[NH+]2CCCCCC2)cc1OC ZINC001313504461 1070538334 /nfs/dbraw/zinc/53/83/34/1070538334.db2.gz UPLVUGYUDJRVBF-UHFFFAOYSA-N 1 0 498.672 3.581 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@]2(C)CCCO2)cc1OC ZINC001313505537 1070543851 /nfs/dbraw/zinc/54/38/51/1070543851.db2.gz KLIJCCGJIBMJMB-VWLOTQADSA-N 1 0 457.619 3.842 20 0 JHADRO CCCOc1cccc(CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001313515217 1070572935 /nfs/dbraw/zinc/57/29/35/1070572935.db2.gz IBLNIJPTCQICJO-XMMPIXPASA-N 1 0 496.700 3.641 20 0 JHADRO CC[S@@](=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001314564171 1070567671 /nfs/dbraw/zinc/56/76/71/1070567671.db2.gz ORXWRONCPMWTEQ-SONOPUAISA-N 1 0 480.476 3.541 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCC[NH+]2CCCCC2)cc1OC ZINC001313513553 1070568920 /nfs/dbraw/zinc/56/89/20/1070568920.db2.gz MVSWOLMLYSNSGK-IRLDBZIGSA-N 1 0 471.646 3.826 20 0 JHADRO CC[S@](=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001314565023 1070569680 /nfs/dbraw/zinc/56/96/80/1070569680.db2.gz NHXDVAPISUXTDJ-XFIMRPSZSA-N 1 0 497.507 3.505 20 0 JHADRO CC[S@](=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314568072 1070573488 /nfs/dbraw/zinc/57/34/88/1070573488.db2.gz XPFGWPPPPFJQHW-YTTGMZPUSA-N 1 0 456.660 3.516 20 0 JHADRO CC[S@@](=O)CCn1c(Cc2ccccc2C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001314569057 1070574340 /nfs/dbraw/zinc/57/43/40/1070574340.db2.gz MHVDVFAVFSCJJN-JGCGQSQUSA-N 1 0 457.688 3.648 20 0 JHADRO COC(=O)c1cc(S(=O)(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc(F)c1F ZINC001309157281 1070574978 /nfs/dbraw/zinc/57/49/78/1070574978.db2.gz QTKHUIXIXNGMNM-OAHLLOKOSA-N 1 0 452.523 3.693 20 0 JHADRO CCCOc1cccc(CCn2c(N3CC[C@@H](N4CC[NH+](CC)CC4)C3)nnc2C(C)(C)C)c1 ZINC001313516549 1070576757 /nfs/dbraw/zinc/57/67/57/1070576757.db2.gz TZRXYTMGQKLGQL-HSZRJFAPSA-N 1 0 468.690 3.823 20 0 JHADRO CCCOc1ccc(Cn2c(CC)nnc2N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1OC ZINC001313516524 1070576926 /nfs/dbraw/zinc/57/69/26/1070576926.db2.gz KZQFJIKHNWYEKK-UHFFFAOYSA-N 1 0 484.689 3.681 20 0 JHADRO CCCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[NH+](C(C)C)CC2)cc1OC ZINC001313517462 1070579539 /nfs/dbraw/zinc/57/95/39/1070579539.db2.gz PRZPDDLOHNOVEV-UHFFFAOYSA-N 1 0 464.614 3.640 20 0 JHADRO CCCOc1ncccc1Cn1c([C@@H](C)CC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001313518055 1070581528 /nfs/dbraw/zinc/58/15/28/1070581528.db2.gz KNQSKPPGVCCYAP-PMACEKPBSA-N 1 0 456.635 3.713 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC001314578498 1070588243 /nfs/dbraw/zinc/58/82/43/1070588243.db2.gz WVGBVTIEOPXPQU-MSOLQXFVSA-N 1 0 479.695 3.910 20 0 JHADRO CC[S@@](=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001314579264 1070589744 /nfs/dbraw/zinc/58/97/44/1070589744.db2.gz MZAFDNKBGBQHST-ZUQCGGBESA-N 1 0 480.078 3.590 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001313524153 1070595602 /nfs/dbraw/zinc/59/56/02/1070595602.db2.gz DWBPBQFFQXUSPM-OAQYLSRUSA-N 1 0 491.627 3.779 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)C1 ZINC001309192667 1070595778 /nfs/dbraw/zinc/59/57/78/1070595778.db2.gz FOUMEERTERMSAD-HZPDHXFCSA-N 1 0 459.439 3.874 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@@H+]2CC)n1 ZINC001314583073 1070598078 /nfs/dbraw/zinc/59/80/78/1070598078.db2.gz OODFVDAXZYFIQN-MSOLQXFVSA-N 1 0 470.647 3.966 20 0 JHADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1Cl ZINC001309203257 1070604607 /nfs/dbraw/zinc/60/46/07/1070604607.db2.gz WCEDXVMIGPJSOG-SJLPKXTDSA-N 1 0 450.988 3.800 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001313529604 1070610204 /nfs/dbraw/zinc/61/02/04/1070610204.db2.gz SXGYTIJLMTUKCS-LEWJYISDSA-N 1 0 459.610 3.838 20 0 JHADRO CCS[C@H]1CC[C@H](N(C)c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001314588899 1070614177 /nfs/dbraw/zinc/61/41/77/1070614177.db2.gz NFQBTHUITDWFMV-VXKWHMMOSA-N 1 0 488.677 3.896 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001313532501 1070618051 /nfs/dbraw/zinc/61/80/51/1070618051.db2.gz WISPAZJQKIJCND-RBZQAINGSA-N 1 0 491.721 3.829 20 0 JHADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC001309219087 1070618157 /nfs/dbraw/zinc/61/81/57/1070618157.db2.gz MIAIIKMZLNMJDU-LIRRHRJNSA-N 1 0 457.017 3.940 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314592236 1070624571 /nfs/dbraw/zinc/62/45/71/1070624571.db2.gz CTHALAAYDRMYNJ-FNAHDJPLSA-N 1 0 465.708 3.639 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314592237 1070624732 /nfs/dbraw/zinc/62/47/32/1070624732.db2.gz CTHALAAYDRMYNJ-MYGLTJDJSA-N 1 0 465.708 3.639 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001314592616 1070626066 /nfs/dbraw/zinc/62/60/66/1070626066.db2.gz RKJBHOROGKFAAO-WOJBJXKFSA-N 1 0 464.724 3.630 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314595535 1070635795 /nfs/dbraw/zinc/63/57/95/1070635795.db2.gz NLGKVZCTNHJWBM-LNRXMEIDSA-N 1 0 497.775 3.803 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001314597491 1070639868 /nfs/dbraw/zinc/63/98/68/1070639868.db2.gz IDDXLPOSAMMLCH-SFTDATJTSA-N 1 0 462.708 3.891 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001314597206 1070640479 /nfs/dbraw/zinc/64/04/79/1070640479.db2.gz QLFMKGKWGKLQDH-ADAARDCZSA-N 1 0 462.708 3.708 20 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JHADRO CCN(C)C(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313548689 1070663082 /nfs/dbraw/zinc/66/30/82/1070663082.db2.gz OWNCSZYAQXFGRR-BZSNNMDCSA-N 1 0 458.676 3.529 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(CC(C)C)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001314603710 1070658463 /nfs/dbraw/zinc/65/84/63/1070658463.db2.gz MLYUBJLHYCSXGF-FCHUYYIVSA-N 1 0 450.741 3.862 20 0 JHADRO CCSCC[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314605632 1070662843 /nfs/dbraw/zinc/66/28/43/1070662843.db2.gz BQHKAESUJRRHMZ-HRAATJIYSA-N 1 0 482.492 3.742 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2CCC2CC[NH+](CC)CC2)C1 ZINC001314608893 1070669703 /nfs/dbraw/zinc/66/97/03/1070669703.db2.gz UJAWTFRKEBFWEI-OAQYLSRUSA-N 1 0 462.708 3.635 20 0 JHADRO CCSCC[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[NH+]1CCC(C)CC1 ZINC001314608783 1070669741 /nfs/dbraw/zinc/66/97/41/1070669741.db2.gz IGYUJFDFRYTVTM-HXUWFJFHSA-N 1 0 497.713 3.892 20 0 JHADRO Cc1nc(S(=O)(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)sc1Br ZINC001309286816 1070670450 /nfs/dbraw/zinc/67/04/50/1070670450.db2.gz KSQLANMQEUENDX-CYBMUJFWSA-N 1 0 450.468 3.879 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC2COC(C)(C)OC2)c1 ZINC001313571790 1070686072 /nfs/dbraw/zinc/68/60/72/1070686072.db2.gz HLIIXZOIILAZGA-QHCPKHFHSA-N 1 0 471.646 3.855 20 0 JHADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)c2ccccc2O1 ZINC001309308465 1070687426 /nfs/dbraw/zinc/68/74/26/1070687426.db2.gz DDYYAZLYUYJQDP-ZDUSSCGKSA-N 1 0 451.342 3.713 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(NC(=O)C(C)C)CC2)c1 ZINC001313573275 1070687389 /nfs/dbraw/zinc/68/73/89/1070687389.db2.gz SZGBGMCYCCLZLS-DEOSSOPVSA-N 1 0 482.673 3.761 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC001313574603 1070689114 /nfs/dbraw/zinc/68/91/14/1070689114.db2.gz KDRXRLZKAKGZNZ-LZCXECNNSA-N 1 0 455.647 3.749 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001313574287 1070689151 /nfs/dbraw/zinc/68/91/51/1070689151.db2.gz YZHSBMGPWJSDSF-UHFFFAOYSA-N 1 0 479.629 3.830 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cc(C)cs2)c1 ZINC001313569797 1070683828 /nfs/dbraw/zinc/68/38/28/1070683828.db2.gz UWEWFNCSKSCMCW-UHFFFAOYSA-N 1 0 454.644 3.923 20 0 JHADRO CCSCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001314618153 1070691159 /nfs/dbraw/zinc/69/11/59/1070691159.db2.gz LXECITCUYDYPDB-JOCHJYFZSA-N 1 0 486.730 3.790 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCSC[C@H]2C)c1 ZINC001313575815 1070691150 /nfs/dbraw/zinc/69/11/50/1070691150.db2.gz SKYCWQUNHJEWTC-GOSISDBHSA-N 1 0 484.695 3.711 20 0 JHADRO CCSCCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001314618252 1070691771 /nfs/dbraw/zinc/69/17/71/1070691771.db2.gz RKEKAEJMQOSEEW-OALUTQOASA-N 1 0 483.686 3.737 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN([C@H](C)c3nc(C)no3)CC2)c1 ZINC001313575856 1070691937 /nfs/dbraw/zinc/69/19/37/1070691937.db2.gz ULFWYZIZIVWAKW-HXUWFJFHSA-N 1 0 494.688 3.941 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@](C)(C(=O)NC)C2)c1 ZINC001313576220 1070692836 /nfs/dbraw/zinc/69/28/36/1070692836.db2.gz WRSLGTWEGYXTDV-MRJKTFCFSA-N 1 0 496.700 3.659 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3cccnc3)n2CC[NH+]2CCCCC2)C1 ZINC001314621378 1070700720 /nfs/dbraw/zinc/70/07/20/1070700720.db2.gz QWYROBSVCQVTKT-NRFANRHFSA-N 1 0 469.634 3.662 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001314620156 1070697730 /nfs/dbraw/zinc/69/77/30/1070697730.db2.gz JZVGTEFJPCQYKQ-JOCHJYFZSA-N 1 0 498.672 3.628 20 0 JHADRO COC(=O)c1ccc(S(=O)(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001309323750 1070698784 /nfs/dbraw/zinc/69/87/84/1070698784.db2.gz WHZAWZUSBTZLKU-FUHWJXTLSA-N 1 0 450.988 3.706 20 0 JHADRO CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CC[N@H+](C)C1)[C@H](C)C1CCC1 ZINC001313581361 1070701469 /nfs/dbraw/zinc/70/14/69/1070701469.db2.gz HHIAJDGCLWWBPG-MWTRTKDXSA-N 1 0 492.462 3.798 20 0 JHADRO CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CC[N@H+](C)C1)[C@@H](C)C1CCC1 ZINC001313581362 1070701526 /nfs/dbraw/zinc/70/15/26/1070701526.db2.gz HHIAJDGCLWWBPG-QMHKHESXSA-N 1 0 492.462 3.798 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001313587676 1070713973 /nfs/dbraw/zinc/71/39/73/1070713973.db2.gz LJGOUUFEPIKIII-GHTZIAJQSA-N 1 0 480.078 3.732 20 0 JHADRO CCN(c1nnc(-c2ccccc2Cl)n1C[C@H](CC(C)C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313592298 1070719316 /nfs/dbraw/zinc/71/93/16/1070719316.db2.gz PYVGJOZWMYHBJI-ROUUACIJSA-N 1 0 468.067 3.588 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)nnc1C(C)(C)C ZINC001314628181 1070723460 /nfs/dbraw/zinc/72/34/60/1070723460.db2.gz GUMLGRQJVYAWJU-PNLZDCPESA-N 1 0 485.504 3.538 20 0 JHADRO CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC[NH+]1CCC(C)CC1)[C@@H](C)C1CCC1 ZINC001313602927 1070725660 /nfs/dbraw/zinc/72/56/60/1070725660.db2.gz BXBLFCRDGPGALX-UNMCSNQZSA-N 1 0 465.708 3.707 20 0 JHADRO CCN(c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@](C)(O)CC)C1CCCCC1 ZINC001313616392 1070740064 /nfs/dbraw/zinc/74/00/64/1070740064.db2.gz WYUVIDJAYSIRBP-HHHXNRCGSA-N 1 0 468.690 3.963 20 0 JHADRO CCCC[C@H](NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1)C(=O)OC ZINC001309377904 1070734356 /nfs/dbraw/zinc/73/43/56/1070734356.db2.gz KEHTWGXVUHDOLA-KMDXXIMOSA-N 1 0 458.624 3.614 20 0 JHADRO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001309389501 1070740162 /nfs/dbraw/zinc/74/01/62/1070740162.db2.gz BWXZFFSKHUANFA-RCCFBDPRSA-N 1 0 457.036 3.687 20 0 JHADRO CN(C)C(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001314633046 1070736418 /nfs/dbraw/zinc/73/64/18/1070736418.db2.gz BJOANFMUMJNFGN-UHFFFAOYSA-N 1 0 480.613 3.516 20 0 JHADRO CN(C)C(=O)COc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C3CCCCC3)CC2)c1 ZINC001314646272 1070746521 /nfs/dbraw/zinc/74/65/21/1070746521.db2.gz UPNLSHVZGMLKDT-UHFFFAOYSA-N 1 0 496.700 3.837 20 0 JHADRO CCN(C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+](C)C(C)C)CC1)S(C)(=O)=O ZINC001313621962 1070749918 /nfs/dbraw/zinc/74/99/18/1070749918.db2.gz ONFPLQLFINLIAQ-UHFFFAOYSA-N 1 0 497.109 3.579 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(F)(F)F)CC1)C1CC1 ZINC001314647700 1070750666 /nfs/dbraw/zinc/75/06/66/1070750666.db2.gz CKJFTCRAWBZPLP-GOSISDBHSA-N 1 0 456.944 3.623 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001313627547 1070757807 /nfs/dbraw/zinc/75/78/07/1070757807.db2.gz LMWVUEVDZCJRLX-LJQANCHMSA-N 1 0 467.456 3.875 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccsc1 ZINC001314649059 1070754059 /nfs/dbraw/zinc/75/40/59/1070754059.db2.gz LCBMQGCHWCQZMN-IAGOWNOFSA-N 1 0 470.565 3.762 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)C1CC1 ZINC001314649301 1070754718 /nfs/dbraw/zinc/75/47/18/1070754718.db2.gz ULLJXGLVSBOFBH-KNQAVFIVSA-N 1 0 451.537 3.815 20 0 JHADRO CCN(C1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1)S(C)(=O)=O ZINC001313626935 1070756208 /nfs/dbraw/zinc/75/62/08/1070756208.db2.gz MBJRJRONXFFCKM-OAQYLSRUSA-N 1 0 496.766 3.772 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CCCO)CC1)c1cccc(F)c1 ZINC001314650358 1070758868 /nfs/dbraw/zinc/75/88/68/1070758868.db2.gz HWBCIUORYDABPN-PKTZIBPZSA-N 1 0 459.610 3.951 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C2CCC2)nnc1N1CCCN(CC(F)(F)F)CC1)c1cccs1 ZINC001314651775 1070761948 /nfs/dbraw/zinc/76/19/48/1070761948.db2.gz SAWDSMMYXGIFSQ-QGZVFWFLSA-N 1 0 456.582 3.984 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)c1ccccc1 ZINC001314652446 1070762929 /nfs/dbraw/zinc/76/29/29/1070762929.db2.gz ZBUHMKGTWPPLTN-IBGZPJMESA-N 1 0 479.526 3.599 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)C1CC1 ZINC001314652628 1070763580 /nfs/dbraw/zinc/76/35/80/1070763580.db2.gz AAQROMBYNMQDNA-IBGZPJMESA-N 1 0 467.511 3.696 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(CC2CCCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313633449 1070764549 /nfs/dbraw/zinc/76/45/49/1070764549.db2.gz AKGCCLSWSVOUMH-RUZDIDTESA-N 1 0 482.717 3.905 20 0 JHADRO C[NH+](C)[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(CO)CC1)C1CC1 ZINC001314653054 1070764652 /nfs/dbraw/zinc/76/46/52/1070764652.db2.gz FOUXELLZUOGYNA-LJQANCHMSA-N 1 0 468.429 3.713 20 0 JHADRO CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CCOC1 ZINC001314653290 1070765482 /nfs/dbraw/zinc/76/54/82/1070765482.db2.gz LWSSMQBNNCOREJ-UFYCRDLUSA-N 1 0 490.674 3.940 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001314654153 1070767838 /nfs/dbraw/zinc/76/78/38/1070767838.db2.gz WJHVCJAKJVKCAL-GOSISDBHSA-N 1 0 490.052 3.971 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C(F)(F)F)CC1)c1ccsc1 ZINC001314654653 1070769449 /nfs/dbraw/zinc/76/94/49/1070769449.db2.gz KVGZKHQVBQAIND-KRWDZBQOSA-N 1 0 470.565 3.544 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001313635354 1070769560 /nfs/dbraw/zinc/76/95/60/1070769560.db2.gz MRWJMDKGGNCVDN-ZXDNMGRFSA-N 1 0 496.700 3.779 20 0 JHADRO Cn1cc(Nc2nnc(-c3cc(Br)cn3C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)cn1 ZINC001314654842 1070770415 /nfs/dbraw/zinc/77/04/15/1070770415.db2.gz XAQHIOCKZIMGBY-IBGZPJMESA-N 1 0 487.381 3.965 20 0 JHADRO C[NH+](C)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)C1CCCCC1 ZINC001314655235 1070771568 /nfs/dbraw/zinc/77/15/68/1070771568.db2.gz NPKNFZSACVZANT-PXDATVDWSA-N 1 0 489.064 3.723 20 0 JHADRO CCN(CC)C(=O)c1ccc(Cn2c(Cc3ccncc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC001313636463 1070772718 /nfs/dbraw/zinc/77/27/18/1070772718.db2.gz KSJWUCSTZXDZRB-FCHUYYIVSA-N 1 0 489.668 3.713 20 0 JHADRO C[NH+](C)C1(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CCCCC1 ZINC001314655871 1070773977 /nfs/dbraw/zinc/77/39/77/1070773977.db2.gz DXPNMGZPZXYAGZ-VQTJNVASSA-N 1 0 476.666 3.888 20 0 JHADRO C[NH+](C)C1(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(C(N)=O)CC2)CCCC1 ZINC001314657919 1070777898 /nfs/dbraw/zinc/77/78/98/1070777898.db2.gz KHYRWPWSHGBBGR-UHFFFAOYSA-N 1 0 482.673 3.731 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cnccn2)n1CC1([NH+](C)C)CCCCC1 ZINC001313638360 1070779112 /nfs/dbraw/zinc/77/91/12/1070779112.db2.gz HMBKHDNAZUEPEZ-QHCPKHFHSA-N 1 0 463.630 3.868 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CC[C@@](O)(c3cccc(F)c3)C2)CCSC1 ZINC001314658576 1070779508 /nfs/dbraw/zinc/77/95/08/1070779508.db2.gz DJCDCNSHJZKTTM-RPWUZVMVSA-N 1 0 461.651 3.541 20 0 JHADRO CN(C)c1ccc(CCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC001314659920 1070782804 /nfs/dbraw/zinc/78/28/04/1070782804.db2.gz KKSWXXPJKYGMCA-QHCPKHFHSA-N 1 0 468.690 3.724 20 0 JHADRO CCN(CC)C(=O)CCCn1c(C2CCC2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001313641989 1070788541 /nfs/dbraw/zinc/78/85/41/1070788541.db2.gz BOTTUDCNIFRIRS-UHFFFAOYSA-N 1 0 452.647 3.907 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001314662826 1070790056 /nfs/dbraw/zinc/79/00/56/1070790056.db2.gz JIHXVNUWEMKBGB-RDTXWAMCSA-N 1 0 465.429 3.555 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)C[NH+](C)C ZINC001314662912 1070790644 /nfs/dbraw/zinc/79/06/44/1070790644.db2.gz MKBZZBUGRDSTDL-LJQANCHMSA-N 1 0 451.619 3.786 20 0 JHADRO CCn1cc(CNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cn1 ZINC001309473465 1070792936 /nfs/dbraw/zinc/79/29/36/1070792936.db2.gz ACGXKHBAMMVMOK-XZOQPEGZSA-N 1 0 459.015 3.644 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC001314667154 1070800747 /nfs/dbraw/zinc/80/07/47/1070800747.db2.gz HNGVEXKOHPEGTA-HSZRJFAPSA-N 1 0 466.674 3.719 20 0 JHADRO CN(CCC(F)F)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667330 1070800998 /nfs/dbraw/zinc/80/09/98/1070800998.db2.gz JYKKZXCOMXDCHB-UHFFFAOYSA-N 1 0 484.599 3.653 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001314665307 1070796758 /nfs/dbraw/zinc/79/67/58/1070796758.db2.gz GJYPEJXZAFENBO-UHFFFAOYSA-N 1 0 480.632 3.565 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314665533 1070797162 /nfs/dbraw/zinc/79/71/62/1070797162.db2.gz JOTSEJZNDDUTTN-UHFFFAOYSA-N 1 0 492.615 3.792 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001314667360 1070801261 /nfs/dbraw/zinc/80/12/61/1070801261.db2.gz LLYJSHBDBZNSOG-HYBUGGRVSA-N 1 0 495.590 3.812 20 0 JHADRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1)c1ccco1 ZINC001309483507 1070799140 /nfs/dbraw/zinc/79/91/40/1070799140.db2.gz HGZDQAPXBRRYFS-DYVFJYSZSA-N 1 0 454.390 3.942 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001314667474 1070801978 /nfs/dbraw/zinc/80/19/78/1070801978.db2.gz IRCGRQTYUGPYQA-UHFFFAOYSA-N 1 0 459.683 3.734 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(N3CCOC[C@H](C4CCC4)C3)nnc2C(C)(C)C)c1 ZINC001314668249 1070803667 /nfs/dbraw/zinc/80/36/67/1070803667.db2.gz BUCMVJYHIBEYGF-JOCHJYFZSA-N 1 0 455.647 3.817 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001314668426 1070804454 /nfs/dbraw/zinc/80/44/54/1070804454.db2.gz QSVCHDJNARNBLI-NRFANRHFSA-N 1 0 462.589 3.712 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCCCCC2)c1 ZINC001314668322 1070804606 /nfs/dbraw/zinc/80/46/06/1070804606.db2.gz FTWDXFKGAXNPFT-UHFFFAOYSA-N 1 0 482.654 3.639 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccc(Br)s3)nnc2N2CC=CCC2)CC1 ZINC001314669712 1070809280 /nfs/dbraw/zinc/80/92/80/1070809280.db2.gz ILGFKERIXSAGEF-UHFFFAOYSA-N 1 0 479.492 3.809 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1OCC[NH+](C)C ZINC001314668553 1070805150 /nfs/dbraw/zinc/80/51/50/1070805150.db2.gz KFZMTXODBPHLJJ-JTHBVZDNSA-N 1 0 457.619 3.514 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)c1 ZINC001314668695 1070805658 /nfs/dbraw/zinc/80/56/58/1070805658.db2.gz LQJPEHNEHAANBB-ISKFKSNPSA-N 1 0 485.673 3.945 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001314669126 1070807029 /nfs/dbraw/zinc/80/70/29/1070807029.db2.gz WRTGIOQMJAEHDH-OAQYLSRUSA-N 1 0 470.568 3.734 20 0 JHADRO CN(c1nnc(-c2ccc(Cl)nc2)n1CCOCC[NH+](C)C)[C@H]1CCCN(c2ccccc2)C1 ZINC001314669552 1070808790 /nfs/dbraw/zinc/80/87/90/1070808790.db2.gz BNRZLROXKAZWJD-QFIPXVFZSA-N 1 0 484.048 3.677 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001314670381 1070811186 /nfs/dbraw/zinc/81/11/86/1070811186.db2.gz LEUKHCGKJUBAEQ-UHFFFAOYSA-N 1 0 473.927 3.525 20 0 JHADRO C[NH+](C)CCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)C1 ZINC001314670646 1070811575 /nfs/dbraw/zinc/81/15/75/1070811575.db2.gz DYROAWFSAXROKV-UHFFFAOYSA-N 1 0 464.344 3.588 20 0 JHADRO Cn1cc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC001314670431 1070811892 /nfs/dbraw/zinc/81/18/92/1070811892.db2.gz FMPGZLLWZKXZOY-HHHXNRCGSA-N 1 0 495.672 3.503 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(COc3ccccc3F)nnc2N2CCCC2(C)C)CC1 ZINC001314671528 1070815176 /nfs/dbraw/zinc/81/51/76/1070815176.db2.gz LQHJMIFSUZVCKB-UHFFFAOYSA-N 1 0 458.626 3.649 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001314671982 1070815993 /nfs/dbraw/zinc/81/59/93/1070815993.db2.gz ZUEAXWFOWFHACY-UHFFFAOYSA-N 1 0 496.597 3.902 20 0 JHADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001313648572 1070817249 /nfs/dbraw/zinc/81/72/49/1070817249.db2.gz ZVIKQLGQIZICGY-UHFFFAOYSA-N 1 0 495.716 3.590 20 0 JHADRO C[NH+](C)CCOCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001314673227 1070818865 /nfs/dbraw/zinc/81/88/65/1070818865.db2.gz JNXANBIKPVGIBE-UHFFFAOYSA-N 1 0 491.750 3.521 20 0 JHADRO C[NH+](C)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 ZINC001314673547 1070819417 /nfs/dbraw/zinc/81/94/17/1070819417.db2.gz RUOLZRMEWNLPJX-UHFFFAOYSA-N 1 0 455.578 3.768 20 0 JHADRO C[NH+](C)CCOCCn1c(Cc2ccccc2F)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001314673855 1070819523 /nfs/dbraw/zinc/81/95/23/1070819523.db2.gz ZYESGQRBKLYMDR-GHTZIAJQSA-N 1 0 470.420 3.606 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@H]2CCCCO2)n1CCOCC[NH+](C)C ZINC001314673562 1070819744 /nfs/dbraw/zinc/81/97/44/1070819744.db2.gz SIYITGSGDZMROR-MRXNPFEDSA-N 1 0 472.453 3.558 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC001313651741 1070827666 /nfs/dbraw/zinc/82/76/66/1070827666.db2.gz KJHIMFALAYFEIG-FYYLOGMGSA-N 1 0 491.640 3.930 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001313650901 1070823835 /nfs/dbraw/zinc/82/38/35/1070823835.db2.gz SVJJMYUFXVZBOR-OAQYLSRUSA-N 1 0 471.650 3.806 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC001313651541 1070827053 /nfs/dbraw/zinc/82/70/53/1070827053.db2.gz GEXLRAFUFUNAFQ-QFBILLFUSA-N 1 0 461.680 3.604 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001313652450 1070829893 /nfs/dbraw/zinc/82/98/93/1070829893.db2.gz TVOUIGQDSXEMFN-CTNGQTDRSA-N 1 0 479.604 3.864 20 0 JHADRO COc1ccc(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1NC(C)=O ZINC001309533638 1070834374 /nfs/dbraw/zinc/83/43/74/1070834374.db2.gz WBXUSIBFQYSNSH-SEJPIABJSA-N 1 0 457.596 3.518 20 0 JHADRO CN(c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1CCC(O)CC1)[C@@H]1CCSC1 ZINC001314681364 1070834597 /nfs/dbraw/zinc/83/45/97/1070834597.db2.gz ZVGCRYGJDFOFFQ-CQSZACIVSA-N 1 0 486.505 3.558 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001313653991 1070835891 /nfs/dbraw/zinc/83/58/91/1070835891.db2.gz GOUCSTBWFZOHMB-FQEVSTJZSA-N 1 0 485.658 3.795 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001313654387 1070837753 /nfs/dbraw/zinc/83/77/53/1070837753.db2.gz KKAJOUSSDLURAE-JOCHJYFZSA-N 1 0 497.688 3.802 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001313655787 1070846731 /nfs/dbraw/zinc/84/67/31/1070846731.db2.gz XWPMSQIIBUCQEV-OAQYLSRUSA-N 1 0 481.689 3.944 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001313657221 1070854871 /nfs/dbraw/zinc/85/48/71/1070854871.db2.gz PPAIGSIUQZUKHF-OSFYOIPJSA-N 1 0 456.635 3.568 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001313656330 1070849286 /nfs/dbraw/zinc/84/92/86/1070849286.db2.gz HWTFSQUFSNYPHM-OSZJIOELSA-N 1 0 472.609 3.535 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001313656317 1070849475 /nfs/dbraw/zinc/84/94/75/1070849475.db2.gz HQHVOWNKFZVJLY-WMZOPIPTSA-N 1 0 479.467 3.897 20 0 JHADRO CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314691697 1070851328 /nfs/dbraw/zinc/85/13/28/1070851328.db2.gz PSLDVFIPTQOELA-IBGZPJMESA-N 1 0 499.603 3.624 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H](C)C(=O)NC ZINC001313656882 1070853355 /nfs/dbraw/zinc/85/33/55/1070853355.db2.gz HFFLKRRIVRFYIF-GJZGRUSLSA-N 1 0 499.885 3.910 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001313658812 1070860118 /nfs/dbraw/zinc/86/01/18/1070860118.db2.gz GUVZEKAQXUTHTR-IERDGZPVSA-N 1 0 454.541 3.600 20 0 JHADRO COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001309565486 1070860446 /nfs/dbraw/zinc/86/04/46/1070860446.db2.gz LGORCIUBQAWABX-TZRRMPRUSA-N 1 0 462.656 3.815 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCc2oncc2C1 ZINC001313658639 1070860550 /nfs/dbraw/zinc/86/05/50/1070860550.db2.gz SKSAWCYTPKRYPE-OAHLLOKOSA-N 1 0 459.392 3.989 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H]1CCOC1 ZINC001313659116 1070860784 /nfs/dbraw/zinc/86/07/84/1070860784.db2.gz DUPKPHXKNKYTOL-WBVHZDCISA-N 1 0 466.424 3.672 20 0 JHADRO CN(c1nnc(Cc2ccncc2)n1CC[NH+]1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314697811 1070862282 /nfs/dbraw/zinc/86/22/82/1070862282.db2.gz JHZMEJOWRHQFNJ-UHFFFAOYSA-N 1 0 483.661 3.586 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313659985 1070864358 /nfs/dbraw/zinc/86/43/58/1070864358.db2.gz MVCSFKYQPVNLGI-KBMIEXCESA-N 1 0 457.619 3.842 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001313660253 1070865074 /nfs/dbraw/zinc/86/50/74/1070865074.db2.gz PEAMVTWJFXHFHN-QGZVFWFLSA-N 1 0 489.093 3.811 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313661010 1070867706 /nfs/dbraw/zinc/86/77/06/1070867706.db2.gz BXFRNASRJZLLSS-SFHVURJKSA-N 1 0 451.619 3.639 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001313663394 1070871949 /nfs/dbraw/zinc/87/19/49/1070871949.db2.gz HWDOXIAQSJBVEX-DHLKQENFSA-N 1 0 484.689 3.889 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001313663397 1070872079 /nfs/dbraw/zinc/87/20/79/1070872079.db2.gz HWDOXIAQSJBVEX-WIOPSUGQSA-N 1 0 484.689 3.889 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001313662532 1070870631 /nfs/dbraw/zinc/87/06/31/1070870631.db2.gz UASXMGJQECKUQK-SFTDATJTSA-N 1 0 469.678 3.758 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nccs2)C1)c1ccccc1 ZINC001313663749 1070873285 /nfs/dbraw/zinc/87/32/85/1070873285.db2.gz HHPICBFOTIPTIZ-SFTDATJTSA-N 1 0 497.669 3.534 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC001313663805 1070874172 /nfs/dbraw/zinc/87/41/72/1070874172.db2.gz ICQGPKCGVIHANY-GOTSBHOMSA-N 1 0 451.619 3.587 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCS[C@H](C)[C@@H]1C)c1ccsc1 ZINC001313663793 1070874464 /nfs/dbraw/zinc/87/44/64/1070874464.db2.gz HXHDAFQRXQHZJC-NLWGTHIKSA-N 1 0 476.716 3.989 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC001313663807 1070874680 /nfs/dbraw/zinc/87/46/80/1070874680.db2.gz ICQGPKCGVIHANY-XZOQPEGZSA-N 1 0 451.619 3.587 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)c1ccsc1 ZINC001313663936 1070874831 /nfs/dbraw/zinc/87/48/31/1070874831.db2.gz ISHGSBZZVJWRGT-UXHICEINSA-N 1 0 471.627 3.802 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@@H]1C)c1ccco1 ZINC001313664275 1070875780 /nfs/dbraw/zinc/87/57/80/1070875780.db2.gz MDUUODIDUKBWMS-GBESFXJTSA-N 1 0 451.575 3.836 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1)c1ccccc1 ZINC001313664226 1070875901 /nfs/dbraw/zinc/87/59/01/1070875901.db2.gz LOAZGJQSTSXWMU-ZLNRFVROSA-N 1 0 468.646 3.647 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 ZINC001313665865 1070881543 /nfs/dbraw/zinc/88/15/43/1070881543.db2.gz SJVNQOADOOJHPK-NFBKMPQASA-N 1 0 456.635 3.585 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001313665039 1070878449 /nfs/dbraw/zinc/87/84/49/1070878449.db2.gz PMQXTSYADOUBOG-IBGZPJMESA-N 1 0 458.626 3.746 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(OC)CC1)c1ccccc1 ZINC001313665080 1070878913 /nfs/dbraw/zinc/87/89/13/1070878913.db2.gz OGKQXRNFCNSCFL-HOFKKMOUSA-N 1 0 482.673 3.993 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001313666590 1070882997 /nfs/dbraw/zinc/88/29/97/1070882997.db2.gz IFYOSTPLQOCLID-XLGIIRLISA-N 1 0 455.647 3.568 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2ccccc2F)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314709077 1070883547 /nfs/dbraw/zinc/88/35/47/1070883547.db2.gz RLEIIESHUNNEST-LJQANCHMSA-N 1 0 472.634 3.723 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001313667466 1070889567 /nfs/dbraw/zinc/88/95/67/1070889567.db2.gz JWDMWFDHKWNRRD-RDJZCZTQSA-N 1 0 497.427 3.535 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H]1C(C)C ZINC001313666315 1070883967 /nfs/dbraw/zinc/88/39/67/1070883967.db2.gz SVASOCZYJVYYOM-RBBKRZOGSA-N 1 0 454.667 3.807 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001313667044 1070887396 /nfs/dbraw/zinc/88/73/96/1070887396.db2.gz HODFFGYZFLPZSN-OAQYLSRUSA-N 1 0 499.729 3.993 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001314710154 1070887371 /nfs/dbraw/zinc/88/73/71/1070887371.db2.gz NCKZPPOBOCMBBE-RTWAWAEBSA-N 1 0 460.667 3.668 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314710059 1070887636 /nfs/dbraw/zinc/88/76/36/1070887636.db2.gz PCNNAKOMVRFDRL-APWZRJJASA-N 1 0 489.045 3.875 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313667363 1070889080 /nfs/dbraw/zinc/88/90/80/1070889080.db2.gz WZCDWJNYYASDDZ-AQNXPRMDSA-N 1 0 464.655 3.696 20 0 JHADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001309630837 1070892889 /nfs/dbraw/zinc/89/28/89/1070892889.db2.gz KPNGESDAUPLZME-SFHVURJKSA-N 1 0 452.835 3.585 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC001313669832 1070895725 /nfs/dbraw/zinc/89/57/25/1070895725.db2.gz DOVINDRGOOMVFQ-HSZRJFAPSA-N 1 0 461.658 3.938 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccco1 ZINC001313670657 1070897493 /nfs/dbraw/zinc/89/74/93/1070897493.db2.gz BBIJBGGPZRDPHF-PZJWPPBQSA-N 1 0 456.635 3.915 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313670711 1070897577 /nfs/dbraw/zinc/89/75/77/1070897577.db2.gz LFYZGOLKLRMCSL-IFMALSPDSA-N 1 0 485.677 3.687 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(C2CCC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314713080 1070899968 /nfs/dbraw/zinc/89/99/68/1070899968.db2.gz CWVMEUVRUWYLAZ-QHCPKHFHSA-N 1 0 460.711 3.851 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(C)=O)CC1)c1ccsc1 ZINC001313672056 1070902341 /nfs/dbraw/zinc/90/23/41/1070902341.db2.gz MHIJIFXIWJQLBS-YADHBBJMSA-N 1 0 474.675 3.769 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccsc1 ZINC001313672446 1070904134 /nfs/dbraw/zinc/90/41/34/1070904134.db2.gz OCSFCNNCGUFKEZ-UGKGYDQZSA-N 1 0 496.685 3.573 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccco1 ZINC001313672439 1070904155 /nfs/dbraw/zinc/90/41/55/1070904155.db2.gz OCNUEFGTATXAFJ-PLYUQDFWSA-N 1 0 486.661 3.732 20 0 JHADRO CN(CC(C)(C)C)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001314715010 1070905097 /nfs/dbraw/zinc/90/50/97/1070905097.db2.gz FAMYAPDIFQBBKF-UHFFFAOYSA-N 1 0 488.702 3.787 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCO[C@H](C)C1)c1ccccc1 ZINC001313674077 1070909921 /nfs/dbraw/zinc/90/99/21/1070909921.db2.gz IFKOVFFGBHITAD-KAMZKSLDSA-N 1 0 471.646 3.700 20 0 JHADRO CN(CC(C)(C)C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001314716199 1070906322 /nfs/dbraw/zinc/90/63/22/1070906322.db2.gz UUGRBEJEWUQQRN-UHFFFAOYSA-N 1 0 452.647 3.917 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 ZINC001313673362 1070907283 /nfs/dbraw/zinc/90/72/83/1070907283.db2.gz FBVKNSRIGOYCJK-GMKZXUHWSA-N 1 0 468.646 3.565 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001313673568 1070907886 /nfs/dbraw/zinc/90/78/86/1070907886.db2.gz ZNVSDNSQAGCPDB-NRFANRHFSA-N 1 0 480.632 3.707 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 ZINC001313674352 1070911219 /nfs/dbraw/zinc/91/12/19/1070911219.db2.gz VEUVIYMKTQWNRE-ZJSXRUAMSA-N 1 0 452.647 3.981 20 0 JHADRO Cc1cccc(Oc2ccc(S(=O)(=O)NCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)cc2)c1 ZINC001309668925 1070913358 /nfs/dbraw/zinc/91/33/58/1070913358.db2.gz AVRSJSAMIPVVOG-QFIPXVFZSA-N 1 0 452.576 3.832 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(COC)CC1)c1ccccc1 ZINC001313675210 1070914757 /nfs/dbraw/zinc/91/47/57/1070914757.db2.gz YDDXFSITCCGURH-QHCPKHFHSA-N 1 0 451.619 3.625 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccsc1 ZINC001313675589 1070917358 /nfs/dbraw/zinc/91/73/58/1070917358.db2.gz UNJYPOABCDDYRT-AVRDEDQJSA-N 1 0 482.654 3.765 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(N2CCN(c3nccnc3C)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313676350 1070920233 /nfs/dbraw/zinc/92/02/33/1070920233.db2.gz WHZFGMDAJDAHNG-FQEVSTJZSA-N 1 0 466.634 3.677 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1)c1ccccc1 ZINC001313677619 1070925910 /nfs/dbraw/zinc/92/59/10/1070925910.db2.gz KXALWUUIMAPLSA-ZKMPZPQNSA-N 1 0 468.690 3.717 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc(Cc2ccccn2)n1CC[N@H+]1CC=CCC1 ZINC001314725154 1070928563 /nfs/dbraw/zinc/92/85/63/1070928563.db2.gz FFFVTISGMMRPOR-UHFFFAOYSA-N 1 0 457.376 3.518 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314727041 1070936365 /nfs/dbraw/zinc/93/63/65/1070936365.db2.gz XFYBKFOIBOBMHM-GJZGRUSLSA-N 1 0 493.431 3.586 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1)c1ccccc1 ZINC001313681558 1070941503 /nfs/dbraw/zinc/94/15/03/1070941503.db2.gz XENIMWTXSFCIBN-VXKWHMMOSA-N 1 0 467.618 3.829 20 0 JHADRO CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001313688068 1070947622 /nfs/dbraw/zinc/94/76/22/1070947622.db2.gz HMYWZGRJFAMSMY-MOPGFXCFSA-N 1 0 464.655 3.553 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(OC)CCCCC2)CC1 ZINC001313691106 1070950200 /nfs/dbraw/zinc/95/02/00/1070950200.db2.gz AFYCVCHFNHVJDO-UHFFFAOYSA-N 1 0 469.634 3.585 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(F)(F)Br)CC1 ZINC001313693046 1070954031 /nfs/dbraw/zinc/95/40/31/1070954031.db2.gz HEXBHYCBRSLBQV-UHFFFAOYSA-N 1 0 496.404 3.815 20 0 JHADRO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001309755222 1070955279 /nfs/dbraw/zinc/95/52/79/1070955279.db2.gz WVVCIEMUONVRKZ-UNMCSNQZSA-N 1 0 457.640 3.605 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2cccs2)CC1 ZINC001313693750 1070955357 /nfs/dbraw/zinc/95/53/57/1070955357.db2.gz NWSMONVOLGXOIW-DEOSSOPVSA-N 1 0 454.644 3.544 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001313694148 1070955864 /nfs/dbraw/zinc/95/58/64/1070955864.db2.gz DYICFVCKFNTAHI-CTNGQTDRSA-N 1 0 478.682 3.642 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC001313693956 1070955952 /nfs/dbraw/zinc/95/59/52/1070955952.db2.gz APNKDYAHZFWPHT-JGCGQSQUSA-N 1 0 454.644 3.511 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001313694634 1070957179 /nfs/dbraw/zinc/95/71/79/1070957179.db2.gz WJUSKGFKAWXVLD-UHFFFAOYSA-N 1 0 453.635 3.683 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2csc(COC)n2)CC1 ZINC001313694588 1070957351 /nfs/dbraw/zinc/95/73/51/1070957351.db2.gz HEACGFKUKJKJCZ-UHFFFAOYSA-N 1 0 455.632 3.610 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001313694402 1070957389 /nfs/dbraw/zinc/95/73/89/1070957389.db2.gz JGFRYLNJMCMFEQ-RUZDIDTESA-N 1 0 459.635 3.680 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2CCOc2ccc(F)c(F)c2)CC1 ZINC001313694948 1070958168 /nfs/dbraw/zinc/95/81/68/1070958168.db2.gz YLWVJMFUQXZBHE-UHFFFAOYSA-N 1 0 470.568 3.932 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001313695457 1070960037 /nfs/dbraw/zinc/96/00/37/1070960037.db2.gz ALERELNMKQYJRQ-HXUWFJFHSA-N 1 0 480.604 3.513 20 0 JHADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ccc(F)cc1Br ZINC001309767316 1070960288 /nfs/dbraw/zinc/96/02/88/1070960288.db2.gz JTKSIPHZHQEBGB-FOIQADDNSA-N 1 0 455.393 3.918 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)C2CC2)CC1 ZINC001313695553 1070960796 /nfs/dbraw/zinc/96/07/96/1070960796.db2.gz HDZNMMXQHBLWIJ-HSZRJFAPSA-N 1 0 452.647 3.921 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC=CO2)CC1 ZINC001313695758 1070961194 /nfs/dbraw/zinc/96/11/94/1070961194.db2.gz SGVNCPUJMYDGKS-NRFANRHFSA-N 1 0 455.603 3.966 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001313695835 1070961300 /nfs/dbraw/zinc/96/13/00/1070961300.db2.gz QHCVARVRBVFZFJ-FQEVSTJZSA-N 1 0 485.620 3.661 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cnn(C)c2)CC1 ZINC001313696077 1070961955 /nfs/dbraw/zinc/96/19/55/1070961955.db2.gz DLNHVGOXKXKHHT-UHFFFAOYSA-N 1 0 469.659 3.671 20 0 JHADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314736231 1070961974 /nfs/dbraw/zinc/96/19/74/1070961974.db2.gz FMWSLLLXHOZFSQ-HKUYNNGSSA-N 1 0 461.513 3.916 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001313696221 1070962481 /nfs/dbraw/zinc/96/24/81/1070962481.db2.gz FVOYGOBYWHHORC-UHFFFAOYSA-N 1 0 498.676 3.802 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(-c2ccc[nH]2)n1CC[N@H+](C)C1CCCCC1 ZINC001314736384 1070962575 /nfs/dbraw/zinc/96/25/75/1070962575.db2.gz COKVZIOOAGEKLF-YTTGMZPUSA-N 1 0 454.644 3.912 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnccc2OC)CC1 ZINC001313696511 1070963849 /nfs/dbraw/zinc/96/38/49/1070963849.db2.gz HZYBQBZDOOTQDY-UHFFFAOYSA-N 1 0 455.994 3.756 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccccc2Cl)CC1 ZINC001313697276 1070965813 /nfs/dbraw/zinc/96/58/13/1070965813.db2.gz YANCBDYBSAANPS-DEOSSOPVSA-N 1 0 470.021 3.607 20 0 JHADRO CCn1cc(Cn2c(COc3ccc(C)cc3)nnc2N2CCC([NH+](CC)CC)CC2)cn1 ZINC001313697352 1070965853 /nfs/dbraw/zinc/96/58/53/1070965853.db2.gz MVQUCIIBGXTDQS-UHFFFAOYSA-N 1 0 451.619 3.741 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314737085 1070965941 /nfs/dbraw/zinc/96/59/41/1070965941.db2.gz KEKNAVPNHDKEDJ-MHYLJGINSA-N 1 0 471.627 3.789 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001313697445 1070966912 /nfs/dbraw/zinc/96/69/12/1070966912.db2.gz PDFUQCZSYYKOQA-GBXCKJPGSA-N 1 0 474.694 3.552 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001313697673 1070967561 /nfs/dbraw/zinc/96/75/61/1070967561.db2.gz NSTWLKFHCLXCCR-XLIONFOSSA-N 1 0 493.494 3.908 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C)c2)CC1 ZINC001313697733 1070967571 /nfs/dbraw/zinc/96/75/71/1070967571.db2.gz SENGITCGVPCITG-UHFFFAOYSA-N 1 0 466.655 3.937 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC2CCCCC2)CC1 ZINC001313698873 1070971711 /nfs/dbraw/zinc/97/17/11/1070971711.db2.gz DERDSKHVAOWRDK-UHFFFAOYSA-N 1 0 468.646 3.524 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2C[C@@H]2C)CC1 ZINC001313698802 1070971804 /nfs/dbraw/zinc/97/18/04/1070971804.db2.gz MRGVVOHMRPZRQV-RBUKOAKNSA-N 1 0 491.105 3.870 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC(C)(F)F)CC1 ZINC001313700022 1070975963 /nfs/dbraw/zinc/97/59/63/1070975963.db2.gz SOEAJNYBVHKPIA-UHFFFAOYSA-N 1 0 485.583 3.529 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001313700371 1070977357 /nfs/dbraw/zinc/97/73/57/1070977357.db2.gz WNMWHWWBKOFPED-OZXSUGGESA-N 1 0 496.700 3.695 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(N3CCO[C@H](c4cnn(C)c4)C3)nnc2C(C)(C)C)cc1 ZINC001313700617 1070977401 /nfs/dbraw/zinc/97/74/01/1070977401.db2.gz VGFWCORZERCYDR-QHCPKHFHSA-N 1 0 465.646 3.777 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2[C@@H]2C[C@@H]2C)CC1 ZINC001313700881 1070978158 /nfs/dbraw/zinc/97/81/58/1070978158.db2.gz MHHQJHLLGSKBBZ-ILWGZMRPSA-N 1 0 468.646 3.606 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C2CC2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001313703239 1070986775 /nfs/dbraw/zinc/98/67/75/1070986775.db2.gz CPFAVQGSTQXUDV-UHFFFAOYSA-N 1 0 452.647 3.787 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2OCCC2(C)C)C1 ZINC001313702086 1070982764 /nfs/dbraw/zinc/98/27/64/1070982764.db2.gz MLVQYRSJMDVHMU-WMZHIEFXSA-N 1 0 471.646 3.946 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCCC2)C1 ZINC001313702313 1070983468 /nfs/dbraw/zinc/98/34/68/1070983468.db2.gz OIVRTXSFZCZODL-HXUWFJFHSA-N 1 0 459.660 3.707 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(=O)OC)C2)cc1 ZINC001313703232 1070985946 /nfs/dbraw/zinc/98/59/46/1070985946.db2.gz GVSRGJZLYKUCOG-DEOSSOPVSA-N 1 0 476.625 3.543 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313703185 1070986096 /nfs/dbraw/zinc/98/60/96/1070986096.db2.gz BKGPTDVWSNERHZ-AREMUKBSSA-N 1 0 480.682 3.783 20 0 JHADRO CN(Cc1cccc(Cl)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001314744645 1070986367 /nfs/dbraw/zinc/98/63/67/1070986367.db2.gz IDGWVRBQPYYUQO-IBGZPJMESA-N 1 0 480.078 3.735 20 0 JHADRO CCOC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)ccc1F ZINC001309831492 1070988686 /nfs/dbraw/zinc/98/86/86/1070988686.db2.gz ZSQLEBFENBUNGT-MRXNPFEDSA-N 1 0 454.589 3.515 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](COC)C1 ZINC001313704033 1070988814 /nfs/dbraw/zinc/98/88/14/1070988814.db2.gz SHEFFGMWPJWCDD-JOCHJYFZSA-N 1 0 482.673 3.657 20 0 JHADRO CN(Cc1cccc(OC(F)F)c1)c1nnc(CN2CCCC2=O)n1CC1([NH+](C)C)CCCC1 ZINC001314746171 1070990476 /nfs/dbraw/zinc/99/04/76/1070990476.db2.gz DZVHHGYEBZKGTK-UHFFFAOYSA-N 1 0 476.572 3.513 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001313704520 1070990539 /nfs/dbraw/zinc/99/05/39/1070990539.db2.gz XSALYLRJTRNTBP-XMMPIXPASA-N 1 0 487.714 3.914 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001313704545 1070991124 /nfs/dbraw/zinc/99/11/24/1070991124.db2.gz JIMUAUZCYFMSPA-SANMLTNESA-N 1 0 487.714 3.772 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313704573 1070991162 /nfs/dbraw/zinc/99/11/62/1070991162.db2.gz KBDAXYXVGJFRFD-QHCPKHFHSA-N 1 0 476.625 3.543 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001313704874 1070991602 /nfs/dbraw/zinc/99/16/02/1070991602.db2.gz NYAWLISAPQNFGK-XUZZJYLKSA-N 1 0 455.647 3.925 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@H]1CCCOC1 ZINC001313704872 1070991701 /nfs/dbraw/zinc/99/17/01/1070991701.db2.gz NYAWLISAPQNFGK-QPPBQGQZSA-N 1 0 455.647 3.925 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCOC[C@H]2C)C1 ZINC001313705112 1070993129 /nfs/dbraw/zinc/99/31/29/1070993129.db2.gz ALWPBNOZSYBKAR-XPWALMASSA-N 1 0 482.673 3.988 20 0 JHADRO O=S(=O)(N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1)c1ccc(F)cc1Cl ZINC001309851998 1070995864 /nfs/dbraw/zinc/99/58/64/1070995864.db2.gz BMRAEOZTJYSOHK-IBGZPJMESA-N 1 0 452.979 3.971 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001313707838 1070998925 /nfs/dbraw/zinc/99/89/25/1070998925.db2.gz SPYJZKRZNMAIOU-UXHICEINSA-N 1 0 464.580 3.997 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C(F)(F)F)C1 ZINC001313707979 1070999523 /nfs/dbraw/zinc/99/95/23/1070999523.db2.gz PVKHBDWPLAZFNE-KRWDZBQOSA-N 1 0 466.552 3.652 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001313707952 1070999661 /nfs/dbraw/zinc/99/96/61/1070999661.db2.gz WDKOYYHSCALMRY-HXUWFJFHSA-N 1 0 498.672 3.989 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC001313708612 1071000711 /nfs/dbraw/zinc/00/07/11/1071000711.db2.gz ACVBYFONTBVIKG-YPAWHYETSA-N 1 0 488.721 3.798 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001313710082 1071003870 /nfs/dbraw/zinc/00/38/70/1071003870.db2.gz AXKNQDIANZMYBJ-CYFREDJKSA-N 1 0 478.037 3.799 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C3CC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001313709371 1071001922 /nfs/dbraw/zinc/00/19/22/1071001922.db2.gz CZWMUCMTIJIHAX-JTSKRJEESA-N 1 0 451.537 3.774 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCO2)C1 ZINC001313709544 1071002428 /nfs/dbraw/zinc/00/24/28/1071002428.db2.gz NIFMJDJCWMHQGS-YUMYIRISSA-N 1 0 490.693 3.786 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CCc3ccccc3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001313710034 1071003317 /nfs/dbraw/zinc/00/33/17/1071003317.db2.gz VAHVQLCJQFJKTE-QFIPXVFZSA-N 1 0 464.662 3.626 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ncccc2N(C)C)C1 ZINC001313710224 1071004403 /nfs/dbraw/zinc/00/44/03/1071004403.db2.gz WNSQOGWDVOQARI-PQNGQFLHSA-N 1 0 483.705 3.874 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)C1 ZINC001313710928 1071005104 /nfs/dbraw/zinc/00/51/04/1071005104.db2.gz CSKMUJJUPCROKX-FZYZMVIOSA-N 1 0 464.079 3.602 20 0 JHADRO CN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314752328 1071005251 /nfs/dbraw/zinc/00/52/51/1071005251.db2.gz KZNBQONHRCCVJL-LJQANCHMSA-N 1 0 456.591 3.654 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)OC)C1 ZINC001313710995 1071005772 /nfs/dbraw/zinc/00/57/72/1071005772.db2.gz LCOCGXLNAIZROM-SFTDATJTSA-N 1 0 492.709 3.986 20 0 JHADRO CCn1nc(-c2nnc(N3CC[C@H](C[NH+](CC)CC)C3)n2CC(C)(C)SC)c2ccccc2c1=O ZINC001313710335 1071004260 /nfs/dbraw/zinc/00/42/60/1071004260.db2.gz HVADCSCXNDOFKC-LJQANCHMSA-N 1 0 497.713 3.985 20 0 JHADRO CN(Cc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314757574 1071011621 /nfs/dbraw/zinc/01/16/21/1071011621.db2.gz OTHRNRJQXIOXRE-UHFFFAOYSA-N 1 0 471.627 3.700 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCCC2(C)C)C1 ZINC001313714334 1071011993 /nfs/dbraw/zinc/01/19/93/1071011993.db2.gz XZAIMMLILGLBHT-DVECYGJZSA-N 1 0 460.692 3.743 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCCC2(C)C)C1 ZINC001313714336 1071012150 /nfs/dbraw/zinc/01/21/50/1071012150.db2.gz XZAIMMLILGLBHT-YADARESESA-N 1 0 460.692 3.743 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001313715502 1071014835 /nfs/dbraw/zinc/01/48/35/1071014835.db2.gz FTVCWXQDLJSDBB-UHFFFAOYSA-N 1 0 468.049 3.976 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001313719766 1071020565 /nfs/dbraw/zinc/02/05/65/1071020565.db2.gz VZAUBDPZWSNDPG-DYXWJJEUSA-N 1 0 470.597 3.721 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC001313716822 1071016320 /nfs/dbraw/zinc/01/63/20/1071016320.db2.gz VYYIULSTGJMRRY-UHFFFAOYSA-N 1 0 462.642 3.954 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC001313717072 1071016347 /nfs/dbraw/zinc/01/63/47/1071016347.db2.gz YMSHRSVAXVNMMU-UHFFFAOYSA-N 1 0 481.670 3.527 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001313717943 1071017938 /nfs/dbraw/zinc/01/79/38/1071017938.db2.gz HFERKLHJQLVDSA-GMAHTHKFSA-N 1 0 459.610 3.603 20 0 JHADRO CC[NH+](CC)CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001313718801 1071019299 /nfs/dbraw/zinc/01/92/99/1071019299.db2.gz VNUGCAIFLOISOL-SFTDATJTSA-N 1 0 492.709 3.986 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001313721954 1071025674 /nfs/dbraw/zinc/02/56/74/1071025674.db2.gz OATIRXSRHYWSCM-LJQANCHMSA-N 1 0 493.656 3.716 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001313721916 1071025692 /nfs/dbraw/zinc/02/56/92/1071025692.db2.gz NEHWRICIZFJBJR-YLJYHZDGSA-N 1 0 456.616 3.718 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001313720892 1071021913 /nfs/dbraw/zinc/02/19/13/1071021913.db2.gz UHCOBXVWBONZSW-MBDNFAEBSA-N 1 0 490.693 3.929 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001313721993 1071025818 /nfs/dbraw/zinc/02/58/18/1071025818.db2.gz VCNFHPCPYCOMKZ-MAODMQOUSA-N 1 0 466.001 3.852 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCn1cccn1 ZINC001313721036 1071022632 /nfs/dbraw/zinc/02/26/32/1071022632.db2.gz CDPRYIDWWCZLIJ-QGZVFWFLSA-N 1 0 460.424 3.771 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001313721079 1071022771 /nfs/dbraw/zinc/02/27/71/1071022771.db2.gz DJAYJAHCIYLKHJ-CQSZACIVSA-N 1 0 455.588 3.924 20 0 JHADRO CN(Cc1cnccn1)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCCCC1 ZINC001314764026 1071023714 /nfs/dbraw/zinc/02/37/14/1071023714.db2.gz PYPONWGNBAVHST-UHFFFAOYSA-N 1 0 473.423 3.727 20 0 JHADRO CC[NH+](CC)CCCn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313721411 1071023802 /nfs/dbraw/zinc/02/38/02/1071023802.db2.gz ZSNOGMBYRRWMFD-OAQYLSRUSA-N 1 0 459.557 3.749 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCC(C)CC1 ZINC001313721561 1071024682 /nfs/dbraw/zinc/02/46/82/1071024682.db2.gz NLNWPAJLETUTBY-OBXNSHGQSA-N 1 0 451.623 3.666 20 0 JHADRO CN(Cc1ccoc1)c1nnc(C(=O)Nc2ccccn2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314764584 1071025529 /nfs/dbraw/zinc/02/55/29/1071025529.db2.gz FTPAILMFGNVFEQ-UHFFFAOYSA-N 1 0 451.575 3.809 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313723214 1071028742 /nfs/dbraw/zinc/02/87/42/1071028742.db2.gz LQZRFJYCRKPCCK-OXQOHEQNSA-N 1 0 464.536 3.935 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 ZINC001313725293 1071031925 /nfs/dbraw/zinc/03/19/25/1071031925.db2.gz ILTZUUALWQASPQ-PTUXOGIPSA-N 1 0 457.619 3.837 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001313725184 1071032070 /nfs/dbraw/zinc/03/20/70/1071032070.db2.gz GVYCKRUULUADGG-GGPKGHCWSA-N 1 0 466.646 3.917 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 ZINC001313725945 1071034108 /nfs/dbraw/zinc/03/41/08/1071034108.db2.gz VNRVPWLPPXQBQY-AQNXPRMDSA-N 1 0 464.655 3.553 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC001309975269 1071034558 /nfs/dbraw/zinc/03/45/58/1071034558.db2.gz KEKAKYWICUTNSU-CYFREDJKSA-N 1 0 450.583 3.580 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001313726199 1071034660 /nfs/dbraw/zinc/03/46/60/1071034660.db2.gz BIQXNHWJGNXXDH-NFBKMPQASA-N 1 0 452.647 3.583 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCSC2(CCOCC2)C1 ZINC001313726939 1071035785 /nfs/dbraw/zinc/03/57/85/1071035785.db2.gz IUYSYIDYEUBKMO-HXUWFJFHSA-N 1 0 489.686 3.698 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313727186 1071036127 /nfs/dbraw/zinc/03/61/27/1071036127.db2.gz MDJHKQNMXYSFEK-MSOLQXFVSA-N 1 0 486.558 3.799 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@H](SC)C1 ZINC001313727458 1071037250 /nfs/dbraw/zinc/03/72/50/1071037250.db2.gz AQUYMXAEXARHAV-CTNGQTDRSA-N 1 0 455.676 3.969 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313727522 1071037268 /nfs/dbraw/zinc/03/72/68/1071037268.db2.gz UIAOADYHJZYOLL-IAGOWNOFSA-N 1 0 466.051 3.953 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313727656 1071037806 /nfs/dbraw/zinc/03/78/06/1071037806.db2.gz XPZFSFNDXXBEDR-GJYPPUQNSA-N 1 0 473.515 3.883 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(C2CCC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314772283 1071038826 /nfs/dbraw/zinc/03/88/26/1071038826.db2.gz UFFAOLIKIBEFJW-INIZCTEOSA-N 1 0 472.581 3.894 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001313728330 1071039347 /nfs/dbraw/zinc/03/93/47/1071039347.db2.gz QZRRJPNVSPOSLI-QUCCMNQESA-N 1 0 459.639 3.825 20 0 JHADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC001309992415 1071042435 /nfs/dbraw/zinc/04/24/35/1071042435.db2.gz KJGPASBKOPYQBG-UHFFFAOYSA-N 1 0 455.481 3.556 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnccn2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001313728977 1071041248 /nfs/dbraw/zinc/04/12/48/1071041248.db2.gz QXTIZUNVPCHCGW-LEWJYISDSA-N 1 0 490.656 3.584 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(-c2cccn2C)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314773394 1071042073 /nfs/dbraw/zinc/04/20/73/1071042073.db2.gz BSCHJZMSARLICL-IBGZPJMESA-N 1 0 470.984 3.749 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(CN2CCCC2=O)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001313729889 1071043194 /nfs/dbraw/zinc/04/31/94/1071043194.db2.gz DFXWZSVWUXOOCS-RBUKOAKNSA-N 1 0 474.600 3.826 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313731852 1071048181 /nfs/dbraw/zinc/04/81/81/1071048181.db2.gz WITNDPSOTURCTQ-SVMVAKDDSA-N 1 0 474.600 3.902 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCCCO2)n1CC1([NH+](C)C)CCOCC1 ZINC001313731141 1071046573 /nfs/dbraw/zinc/04/65/73/1071046573.db2.gz PQKCPMLWOHAIRD-NRFANRHFSA-N 1 0 463.573 3.935 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001313732162 1071049167 /nfs/dbraw/zinc/04/91/67/1071049167.db2.gz YSFIHNOEEJJRPL-KRWDZBQOSA-N 1 0 463.051 3.872 20 0 JHADRO CN(Cc1nccs1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001314777279 1071050027 /nfs/dbraw/zinc/05/00/27/1071050027.db2.gz MAYQQHPIHMYJDV-HDICACEKSA-N 1 0 475.663 3.628 20 0 JHADRO CN(Cc1nccs1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314777620 1071050970 /nfs/dbraw/zinc/05/09/70/1071050970.db2.gz CLIPGBORSZWAMZ-LJQANCHMSA-N 1 0 489.690 3.826 20 0 JHADRO COc1ccccc1NC(=O)c1ccc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC001310005634 1071052855 /nfs/dbraw/zinc/05/28/55/1071052855.db2.gz OZRBLFMDFTVZPB-GOSISDBHSA-N 1 0 452.555 3.665 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(C(C)(C)C)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001314781515 1071056558 /nfs/dbraw/zinc/05/65/58/1071056558.db2.gz ZBHADDQRDLBPRG-UHFFFAOYSA-N 1 0 460.617 3.875 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001313736885 1071059169 /nfs/dbraw/zinc/05/91/69/1071059169.db2.gz YTZBHXLRAIPETP-OAQYLSRUSA-N 1 0 456.610 3.687 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(-c2ccccc2Cl)n1CCC[NH+]1CCC(O)CC1 ZINC001314781935 1071057057 /nfs/dbraw/zinc/05/70/57/1071057057.db2.gz FAPIXSHOGCFJJA-UHFFFAOYSA-N 1 0 453.965 3.927 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001313734508 1071054592 /nfs/dbraw/zinc/05/45/92/1071054592.db2.gz RRFGXSZRAQFQDP-ZJSXRUAMSA-N 1 0 482.673 3.978 20 0 JHADRO C[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001310018837 1071063432 /nfs/dbraw/zinc/06/34/32/1071063432.db2.gz HPLVCTAXOIXLKV-PXNSSMCTSA-N 1 0 453.553 3.795 20 0 JHADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2)C[C@@H]1C ZINC001310019145 1071064054 /nfs/dbraw/zinc/06/40/54/1071064054.db2.gz XNQPZSBJZUJUOW-PMACEKPBSA-N 1 0 452.599 3.719 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313741836 1071067927 /nfs/dbraw/zinc/06/79/27/1071067927.db2.gz SREWANCDYHSFNJ-SZPZYZBQSA-N 1 0 482.673 3.623 20 0 JHADRO CN(CC1CCC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314790478 1071068495 /nfs/dbraw/zinc/06/84/95/1071068495.db2.gz GTNYHWCLILXMQC-SFTDATJTSA-N 1 0 490.693 3.943 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313745617 1071073881 /nfs/dbraw/zinc/07/38/81/1071073881.db2.gz JTDZHTOYZQEILZ-OYRHEFFESA-N 1 0 466.605 3.929 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001313743069 1071070200 /nfs/dbraw/zinc/07/02/00/1071070200.db2.gz ZUUJKOMCPXWEBQ-HSZRJFAPSA-N 1 0 452.647 3.909 20 0 JHADRO CN(C[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC[N@H+]2CC=CCC2)C1)C(=O)OC(C)(C)C ZINC001314800088 1071078549 /nfs/dbraw/zinc/07/85/49/1071078549.db2.gz GJOUVMQWWUWSLH-FGZHOGPDSA-N 1 0 488.677 3.865 20 0 JHADRO CN(C[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CC=CCC2)C1)C(=O)OC(C)(C)C ZINC001314800089 1071079327 /nfs/dbraw/zinc/07/93/27/1071079327.db2.gz GJOUVMQWWUWSLH-VXKWHMMOSA-N 1 0 488.677 3.865 20 0 JHADRO C[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)C[NH+]1CCCCC1 ZINC001310043322 1071080630 /nfs/dbraw/zinc/08/06/30/1071080630.db2.gz PJVLRJZFLPAPGD-ZCNNSNEGSA-N 1 0 450.649 3.597 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Br)s2)n1CC[NH+]1CCCC1 ZINC001313751223 1071085237 /nfs/dbraw/zinc/08/52/37/1071085237.db2.gz YMAZDTABTUWDST-UHFFFAOYSA-N 1 0 464.437 3.625 20 0 JHADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)CC1 ZINC001310046868 1071082395 /nfs/dbraw/zinc/08/23/95/1071082395.db2.gz UYPABRACPYVMHA-NRFANRHFSA-N 1 0 459.388 3.806 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001313750779 1071083970 /nfs/dbraw/zinc/08/39/70/1071083970.db2.gz CBXNAOUCADLZDL-HXUWFJFHSA-N 1 0 481.645 3.843 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001313754275 1071093419 /nfs/dbraw/zinc/09/34/19/1071093419.db2.gz XYLAKXSCGIJQHB-LJQANCHMSA-N 1 0 489.466 3.916 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCCCCC1 ZINC001314806970 1071094685 /nfs/dbraw/zinc/09/46/85/1071094685.db2.gz QKPJJNQFQUGXBK-QGZVFWFLSA-N 1 0 465.440 3.775 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccc(Cl)cc2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313755871 1071097019 /nfs/dbraw/zinc/09/70/19/1071097019.db2.gz QOUFPBGNGGZGEA-WOJBJXKFSA-N 1 0 486.064 3.782 20 0 JHADRO CN(C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCCCCC2)C1)C(=O)OC(C)(C)C ZINC001314809731 1071101277 /nfs/dbraw/zinc/10/12/77/1071101277.db2.gz CCOZDQPCPFAZMJ-QHCPKHFHSA-N 1 0 497.688 3.833 20 0 JHADRO CN(C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC001314809219 1071099516 /nfs/dbraw/zinc/09/95/16/1071099516.db2.gz CYTKJWJWUNSDDF-FPOVZHCZSA-N 1 0 495.628 3.929 20 0 JHADRO CN(CC1CCN(c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCC2)CC1)C(=O)OC(C)(C)C ZINC001314811266 1071105120 /nfs/dbraw/zinc/10/51/20/1071105120.db2.gz IELQSQIVZXNFEQ-UHFFFAOYSA-N 1 0 497.688 3.832 20 0 JHADRO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(CC(C)(C)C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001313760963 1071108121 /nfs/dbraw/zinc/10/81/21/1071108121.db2.gz YMQZOADJWZXJEO-IBGZPJMESA-N 1 0 481.645 3.510 20 0 JHADRO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc([C@@H]2CCCOC2)n1CC[NH+](C(C)C)C(C)C ZINC001313761055 1071109128 /nfs/dbraw/zinc/10/91/28/1071109128.db2.gz ZVRDJHUWHGWTPD-HXUWFJFHSA-N 1 0 481.645 3.966 20 0 JHADRO CN(C[C@H]1CCOC1)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314812465 1071109719 /nfs/dbraw/zinc/10/97/19/1071109719.db2.gz WYXJNCWRVVFYNG-DNVCBOLYSA-N 1 0 493.475 3.883 20 0 JHADRO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314815229 1071121038 /nfs/dbraw/zinc/12/10/38/1071121038.db2.gz IJVUKKJVVZMRBM-YCRPNKLZSA-N 1 0 498.466 3.757 20 0 JHADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CC[N@H+](C)C(C)(C)C3)c2)c1C(F)(F)F ZINC001310118563 1071131885 /nfs/dbraw/zinc/13/18/85/1071131885.db2.gz OIPHHVDJERBMPV-UHFFFAOYSA-N 1 0 453.465 3.626 20 0 JHADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)NCC[N@H+](C)[C@H](C)CC)c2)c1C(F)(F)F ZINC001310118990 1071132381 /nfs/dbraw/zinc/13/23/81/1071132381.db2.gz WXKBNRBWTYMFIW-CQSZACIVSA-N 1 0 455.481 3.920 20 0 JHADRO Cc1cccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C(=O)N1CCCC1 ZINC001310125743 1071137099 /nfs/dbraw/zinc/13/70/99/1071137099.db2.gz AOQACNQTWIXTPU-QFIPXVFZSA-N 1 0 450.583 3.644 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(Cc2ccc(F)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001314821505 1071138426 /nfs/dbraw/zinc/13/84/26/1071138426.db2.gz OXVDTYDXJWIMOV-UHFFFAOYSA-N 1 0 459.610 3.718 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001313778219 1071138674 /nfs/dbraw/zinc/13/86/74/1071138674.db2.gz GSBDTIACOVPSFF-KVZPGWMESA-N 1 0 463.667 3.518 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(Cc2c[nH]c3ccccc23)n1CCCC[NH+]1CCOCC1 ZINC001314823045 1071143582 /nfs/dbraw/zinc/14/35/82/1071143582.db2.gz ARBDGNBVJGQWHM-UHFFFAOYSA-N 1 0 464.536 3.851 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC[NH+](C(C)C)C(C)C ZINC001313780474 1071144878 /nfs/dbraw/zinc/14/48/78/1071144878.db2.gz NBPULOJWLHXZBS-LJQANCHMSA-N 1 0 467.618 3.718 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001313785653 1071158850 /nfs/dbraw/zinc/15/88/50/1071158850.db2.gz YRMHVNXFXOSGTF-IBGZPJMESA-N 1 0 474.675 3.539 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)C1)CC(F)(F)F ZINC001313785698 1071160954 /nfs/dbraw/zinc/16/09/54/1071160954.db2.gz LXVXXLUARSTBFD-VQTJNVASSA-N 1 0 486.627 3.757 20 0 JHADRO Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001310151862 1071157899 /nfs/dbraw/zinc/15/78/99/1071157899.db2.gz XPUMMTMELDUKLX-UHFFFAOYSA-N 1 0 456.631 3.976 20 0 JHADRO COc1ccccc1OCC(=O)Nc1cccc(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001310159781 1071164870 /nfs/dbraw/zinc/16/48/70/1071164870.db2.gz PQXWUXVARVAQLC-OAQYLSRUSA-N 1 0 452.555 3.851 20 0 JHADRO CCN(C[C@H]1COc2ccccc2O1)c1nnc(-c2cccn2C)n1C[C@H](C)[NH+](CC)CC ZINC001313787823 1071170103 /nfs/dbraw/zinc/17/01/03/1071170103.db2.gz ZWVGXBYBEVLJRU-PMACEKPBSA-N 1 0 452.603 3.680 20 0 JHADRO CN(CCc1nccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314836959 1071179087 /nfs/dbraw/zinc/17/90/87/1071179087.db2.gz FVNRQZMQOHPSEL-QFIPXVFZSA-N 1 0 460.648 3.581 20 0 JHADRO CN(CCc1nccs1)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+](C)C)CCCCC1 ZINC001314838650 1071183797 /nfs/dbraw/zinc/18/37/97/1071183797.db2.gz YIGAIGVVCPUVKP-UHFFFAOYSA-N 1 0 487.699 3.670 20 0 JHADRO C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001310180997 1071186440 /nfs/dbraw/zinc/18/64/40/1071186440.db2.gz SEOHDKXBOFBYHQ-OXQOHEQNSA-N 1 0 459.978 3.675 20 0 JHADRO CN(CCCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC[N@H+](C)C1CCCCC1 ZINC001314841054 1071188971 /nfs/dbraw/zinc/18/89/71/1071188971.db2.gz NFAHEQONABRWEV-UHFFFAOYSA-N 1 0 452.647 3.848 20 0 JHADRO CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC001310186741 1071192804 /nfs/dbraw/zinc/19/28/04/1071192804.db2.gz PUFAMRPNBPBYBA-UHFFFAOYSA-N 1 0 458.006 3.764 20 0 JHADRO CN(CCCCCO)c1nnc(-c2ccccc2Br)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314844143 1071197325 /nfs/dbraw/zinc/19/73/25/1071197325.db2.gz BUUGAFBNPDVQFX-OAQYLSRUSA-N 1 0 482.492 3.744 20 0 JHADRO CCN(CCC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313795325 1071193864 /nfs/dbraw/zinc/19/38/64/1071193864.db2.gz VQLIONITZYDFKG-UHFFFAOYSA-N 1 0 478.483 3.688 20 0 JHADRO CCC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3CCC4(CCOCC4)O3)cc2Cl)CC1 ZINC001310190856 1071196027 /nfs/dbraw/zinc/19/60/27/1071196027.db2.gz HJALZNLJTRCDLR-LJQANCHMSA-N 1 0 451.011 3.722 20 0 JHADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C ZINC001310197131 1071201783 /nfs/dbraw/zinc/20/17/83/1071201783.db2.gz ZZAMDTMGFBZDIQ-UHFFFAOYSA-N 1 0 458.525 3.596 20 0 JHADRO C[N@H+](CCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)C1CCCCC1 ZINC001314845744 1071201784 /nfs/dbraw/zinc/20/17/84/1071201784.db2.gz RAZKQUHHISCGQW-UHFFFAOYSA-N 1 0 495.594 3.823 20 0 JHADRO CC[N@H+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)C1CC1 ZINC001313801552 1071205909 /nfs/dbraw/zinc/20/59/09/1071205909.db2.gz HAZYLPZVUYABTI-INIZCTEOSA-N 1 0 485.526 3.935 20 0 JHADRO CC[N@H+](CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C(C)=O)CC1)C1CC1 ZINC001313802325 1071208382 /nfs/dbraw/zinc/20/83/82/1071208382.db2.gz OGJZETKWCJADJL-LJQANCHMSA-N 1 0 489.064 3.841 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](Oc2ccccn2)C1)C(C)C ZINC001313802036 1071207062 /nfs/dbraw/zinc/20/70/62/1071207062.db2.gz BVPFGKURWBJHOM-SFHVURJKSA-N 1 0 488.434 3.819 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CCc2oncc2C1)CCC(F)(F)F ZINC001313802030 1071207319 /nfs/dbraw/zinc/20/73/19/1071207319.db2.gz BUUFZGLMFGAEIZ-UHFFFAOYSA-N 1 0 464.492 3.779 20 0 JHADRO CN(CCCn1c(C2CCC2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)CC(F)(F)F ZINC001314848358 1071207982 /nfs/dbraw/zinc/20/79/82/1071207982.db2.gz KQOBBICIUGGTJH-PZJWPPBQSA-N 1 0 496.626 3.683 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(C)(C)C)C1)C(C)C ZINC001313802943 1071209653 /nfs/dbraw/zinc/20/96/53/1071209653.db2.gz LKFHCTGDABRFBO-HXUWFJFHSA-N 1 0 461.676 3.951 20 0 JHADRO CC[N@H+](CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C ZINC001313804018 1071213728 /nfs/dbraw/zinc/21/37/28/1071213728.db2.gz BUJNOVVEGFBDSM-SFHVURJKSA-N 1 0 481.670 3.774 20 0 JHADRO Cc1cc(N2CCSCC2)ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001310213713 1071211098 /nfs/dbraw/zinc/21/10/98/1071211098.db2.gz HNSQRWWWIARGEZ-ZJSXRUAMSA-N 1 0 454.640 3.553 20 0 JHADRO CC[N@H+](CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CNC(=O)C2)CC1)C(C)C ZINC001313803695 1071212667 /nfs/dbraw/zinc/21/26/67/1071212667.db2.gz YZMSQXJJYRPWLN-QFIPXVFZSA-N 1 0 482.673 3.872 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1)C(C)C ZINC001313803791 1071212709 /nfs/dbraw/zinc/21/27/09/1071212709.db2.gz VECGFIZCOKTWNF-UHFFFAOYSA-N 1 0 494.640 3.984 20 0 JHADRO CC[N@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC(C)(C)[C@@H]1C)C1CC1 ZINC001313804118 1071213359 /nfs/dbraw/zinc/21/33/59/1071213359.db2.gz BKOFUWDMIGWEDV-IBGZPJMESA-N 1 0 454.619 3.635 20 0 JHADRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCCO[C@H](c2ccccc2)C1)CCC(F)(F)F ZINC001313804197 1071214262 /nfs/dbraw/zinc/21/42/62/1071214262.db2.gz CQUWFWKBRXOVQR-FQEVSTJZSA-N 1 0 496.578 3.659 20 0 JHADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC001310218500 1071215021 /nfs/dbraw/zinc/21/50/21/1071215021.db2.gz KBJKYBUYIMYLSQ-UHFFFAOYSA-N 1 0 456.587 3.737 20 0 JHADRO CN(CCCn1c(Cc2ccncc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314850439 1071215829 /nfs/dbraw/zinc/21/58/29/1071215829.db2.gz CCXUWUKPQVMPTO-QFIPXVFZSA-N 1 0 483.661 3.586 20 0 JHADRO COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC001310219443 1071216326 /nfs/dbraw/zinc/21/63/26/1071216326.db2.gz HBUNCPVOELRABG-JOCHJYFZSA-N 1 0 450.583 3.712 20 0 JHADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2cccc(F)c2)C1)C(C)C ZINC001313804665 1071216393 /nfs/dbraw/zinc/21/63/93/1071216393.db2.gz GUCMVLUDGYKOOR-FQEVSTJZSA-N 1 0 465.577 3.789 20 0 JHADRO C[N@H+](CCCn1c(CC(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1)Cc1ccccc1 ZINC001314850676 1071217231 /nfs/dbraw/zinc/21/72/31/1071217231.db2.gz MMFPFTNNSGUUEV-UHFFFAOYSA-N 1 0 464.662 3.897 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1[C@H]1CCCO1)C(C)C ZINC001313805166 1071218783 /nfs/dbraw/zinc/21/87/83/1071218783.db2.gz NYRMTFYMCJMFFC-UYAOXDASSA-N 1 0 479.467 3.924 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](NC(C)=O)C1)C(C)C ZINC001313805694 1071221094 /nfs/dbraw/zinc/22/10/94/1071221094.db2.gz NVRYLIDZGMLGPL-FQEVSTJZSA-N 1 0 477.451 3.543 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@H](COC)C1)C(C)C ZINC001313806645 1071225018 /nfs/dbraw/zinc/22/50/18/1071225018.db2.gz WNZPGDCGVJSYDV-HOTGVXAUSA-N 1 0 486.480 3.740 20 0 JHADRO C[N@H+](CCCn1c(CC2CC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)C1CCCCC1 ZINC001314852136 1071225188 /nfs/dbraw/zinc/22/51/88/1071225188.db2.gz 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CCn1cc(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cn1 ZINC001313843164 1071330971 /nfs/dbraw/zinc/33/09/71/1071330971.db2.gz BEPITQCMUBTKCA-UHFFFAOYSA-N 1 0 481.645 3.785 20 0 JHADRO Cn1cc(C(=O)NCC2CCN(c3nnc(CC(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)CC2)cn1 ZINC001314894540 1071326619 /nfs/dbraw/zinc/32/66/19/1071326619.db2.gz CORLUGBSYXMFOK-UHFFFAOYSA-N 1 0 498.720 3.511 20 0 JHADRO COC(=O)CCCc1nnc(NC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC001310352001 1071331686 /nfs/dbraw/zinc/33/16/86/1071331686.db2.gz NUHDDQRDBSIPEV-IAGOWNOFSA-N 1 0 459.616 3.833 20 0 JHADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCCOC(F)F)CC2)cn1 ZINC001314904896 1071342810 /nfs/dbraw/zinc/34/28/10/1071342810.db2.gz DRNPTRYKPITVAP-UHFFFAOYSA-N 1 0 479.963 3.674 20 0 JHADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(OC)c(OC)c1 ZINC001310373699 1071349757 /nfs/dbraw/zinc/34/97/57/1071349757.db2.gz WBAPSKRATMJELB-IBGZPJMESA-N 1 0 455.555 3.914 20 0 JHADRO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001310373737 1071349817 /nfs/dbraw/zinc/34/98/17/1071349817.db2.gz ZEWFHXNGEQNRRJ-QFIPXVFZSA-N 1 0 453.583 3.849 20 0 JHADRO Cn1cc(Br)cc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1=O ZINC001310388098 1071360939 /nfs/dbraw/zinc/36/09/39/1071360939.db2.gz UIEQKJAGESHSHD-QFIPXVFZSA-N 1 0 459.388 3.668 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001314918116 1071361236 /nfs/dbraw/zinc/36/12/36/1071361236.db2.gz PCETVEZNFIBVMI-HXUWFJFHSA-N 1 0 471.650 3.653 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2csc(COC)n2)C[C@@H]1C ZINC001313859015 1071363080 /nfs/dbraw/zinc/36/30/80/1071363080.db2.gz ITIFCORNJXNYMK-RBUKOAKNSA-N 1 0 497.669 3.717 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313859623 1071365281 /nfs/dbraw/zinc/36/52/81/1071365281.db2.gz HHXOHLYYOLXOGV-IAGOWNOFSA-N 1 0 495.466 3.540 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(N2CCC(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001314924443 1071367256 /nfs/dbraw/zinc/36/72/56/1071367256.db2.gz OFXFPVYKIRWQOF-OAQYLSRUSA-N 1 0 458.695 3.925 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1C(C)(C)C ZINC001314925233 1071368134 /nfs/dbraw/zinc/36/81/34/1071368134.db2.gz UTCVEXDHOJNVBQ-NRFANRHFSA-N 1 0 470.637 3.684 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](F)COC)C[C@@H]1C ZINC001313860360 1071368289 /nfs/dbraw/zinc/36/82/89/1071368289.db2.gz JQVZVFFKUYMHJD-LSTDLKDCSA-N 1 0 453.990 3.975 20 0 JHADRO CN1CCC2(CCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CC2)C1=O ZINC001314927047 1071369777 /nfs/dbraw/zinc/36/97/77/1071369777.db2.gz GMZZMWNNTMCRHC-LJQANCHMSA-N 1 0 458.676 3.680 20 0 JHADRO CN(c1nnc(CC2CCCC2)n1C[C@@]1(O)CC[N@H+](C)C1)[C@@H](CF)c1ccc(Br)cc1 ZINC001314928884 1071371302 /nfs/dbraw/zinc/37/13/02/1071371302.db2.gz TWBNUGSKSYIKHN-NZQKXSOJSA-N 1 0 494.453 3.987 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2cccc(Cl)c2C)C[C@@H]1C ZINC001313861540 1071374070 /nfs/dbraw/zinc/37/40/70/1071374070.db2.gz NNQQPZPCCUKTMH-LNLFQRSKSA-N 1 0 450.027 3.931 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C ZINC001313863793 1071383295 /nfs/dbraw/zinc/38/32/95/1071383295.db2.gz BAYOGSBANFXYNB-ZIFCJYIRSA-N 1 0 467.536 3.690 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313863008 1071379157 /nfs/dbraw/zinc/37/91/57/1071379157.db2.gz UJWLZEDIUYVJNR-RBUKOAKNSA-N 1 0 472.634 3.740 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC2CCOCC2)C[C@@H]1C ZINC001313863016 1071379434 /nfs/dbraw/zinc/37/94/34/1071379434.db2.gz UVVGJVLLYFSVAF-VXKWHMMOSA-N 1 0 498.672 3.652 20 0 JHADRO COC(=O)COc1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c2cccnc12 ZINC001310424140 1071383083 /nfs/dbraw/zinc/38/30/83/1071383083.db2.gz BUMIOXKXFAFDEU-IBGZPJMESA-N 1 0 452.511 3.647 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001314937287 1071387311 /nfs/dbraw/zinc/38/73/11/1071387311.db2.gz SFGCLBYPORCDLB-SFHVURJKSA-N 1 0 459.038 3.683 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001314937337 1071387378 /nfs/dbraw/zinc/38/73/78/1071387378.db2.gz VLAZXUVGWANGOV-UHFFFAOYSA-N 1 0 467.445 3.945 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)C[C@H]1C ZINC001313864768 1071387978 /nfs/dbraw/zinc/38/79/78/1071387978.db2.gz VXDWBOKSFXHXMS-QYZOEREBSA-N 1 0 495.603 3.878 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2occc2C)C[C@@H]1C ZINC001313865340 1071391871 /nfs/dbraw/zinc/39/18/71/1071391871.db2.gz ZCBQWKSTFNUVFV-ROUUACIJSA-N 1 0 471.005 3.730 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2occc2C)C[C@H]1C ZINC001313865337 1071392419 /nfs/dbraw/zinc/39/24/19/1071392419.db2.gz ZCBQWKSTFNUVFV-QZTJIDSGSA-N 1 0 471.005 3.730 20 0 JHADRO CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001310443986 1071393922 /nfs/dbraw/zinc/39/39/22/1071393922.db2.gz KPIBLZSVALWLCN-TWEIKEKHSA-N 1 0 450.649 3.823 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)c(COC)c2)C[C@H]1C ZINC001313865030 1071390023 /nfs/dbraw/zinc/39/00/23/1071390023.db2.gz NOONWIVBOBINFK-MOPGFXCFSA-N 1 0 452.578 3.901 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)C[C@H]1C ZINC001313867137 1071397785 /nfs/dbraw/zinc/39/77/85/1071397785.db2.gz LPMNFQIRVPMCRU-RLIDHQHUSA-N 1 0 471.646 3.942 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(O)CC2)C[C@@H]1C ZINC001313867178 1071399163 /nfs/dbraw/zinc/39/91/63/1071399163.db2.gz IAPPXLCRWUMMCN-RBUKOAKNSA-N 1 0 462.038 3.695 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[NH+]1CCCCCC1 ZINC001314946603 1071405736 /nfs/dbraw/zinc/40/57/36/1071405736.db2.gz UIIOLZOJISBTCE-INIZCTEOSA-N 1 0 467.445 3.946 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCO[C@H]2C(C)C)C[C@H]1C ZINC001313868163 1071403456 /nfs/dbraw/zinc/40/34/56/1071403456.db2.gz BCGKBUZUPKZWHU-AWZJCTCXSA-N 1 0 455.647 3.858 20 0 JHADRO CN1CCC([NH+]2CCC(NC(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)CC2)CC1 ZINC001310462776 1071405162 /nfs/dbraw/zinc/40/51/62/1071405162.db2.gz DEONMXQHUIEKKA-UHFFFAOYSA-N 1 0 450.509 3.571 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)c2ccsc2)C[C@@H]1C ZINC001313869913 1071410424 /nfs/dbraw/zinc/41/04/24/1071410424.db2.gz CQSOHXDFJSHAFO-XFAGBWLFSA-N 1 0 457.619 3.896 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001313868776 1071406577 /nfs/dbraw/zinc/40/65/77/1071406577.db2.gz NWOKNDZBNPIXNH-WSTZPKSXSA-N 1 0 494.482 3.878 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cccnc2OCCOC)C[C@@H]1C ZINC001313869963 1071411475 /nfs/dbraw/zinc/41/14/75/1071411475.db2.gz DFFGYLUZNUDYFE-PMACEKPBSA-N 1 0 499.059 3.910 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313869429 1071409281 /nfs/dbraw/zinc/40/92/81/1071409281.db2.gz PTABRAZMNJWWQL-LEWJYISDSA-N 1 0 470.662 3.897 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2cccc(NC(=O)OC)c2)C[C@H]1C ZINC001313870193 1071412391 /nfs/dbraw/zinc/41/23/91/1071412391.db2.gz ZAUANVCUOLZWOB-MOPGFXCFSA-N 1 0 463.586 3.794 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001314948980 1071413905 /nfs/dbraw/zinc/41/39/05/1071413905.db2.gz FZDRISRTTVJGDV-ZBFHGGJFSA-N 1 0 495.491 3.604 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313870680 1071415277 /nfs/dbraw/zinc/41/52/77/1071415277.db2.gz VMZBVDGVBHEBMR-JKSUJKDBSA-N 1 0 486.405 3.979 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313871417 1071416670 /nfs/dbraw/zinc/41/66/70/1071416670.db2.gz YZBRHFQWECMXKS-OALUTQOASA-N 1 0 481.645 3.794 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNC(=O)C(C)C)C[C@H]1C ZINC001313871955 1071420042 /nfs/dbraw/zinc/42/00/42/1071420042.db2.gz VYBGSCGCTDIWOI-QZTJIDSGSA-N 1 0 477.053 3.688 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001314952883 1071423721 /nfs/dbraw/zinc/42/37/21/1071423721.db2.gz URMFDAZQMYIDTR-FUHWJXTLSA-N 1 0 491.478 3.566 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2CCCNC(=O)c2occc2C)C[C@H]1C ZINC001313873016 1071423780 /nfs/dbraw/zinc/42/37/80/1071423780.db2.gz BPIULJSSRVOVCF-YADHBBJMSA-N 1 0 494.640 3.806 20 0 JHADRO Cc1cc(NC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)nn1-c1ccccc1Cl ZINC001310482458 1071424466 /nfs/dbraw/zinc/42/44/66/1071424466.db2.gz FHTBCJXTVLOEPU-UHFFFAOYSA-N 1 0 452.990 3.903 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313874374 1071428035 /nfs/dbraw/zinc/42/80/35/1071428035.db2.gz NQZJEVAQUZBYRH-HBMCJLEFSA-N 1 0 485.677 3.686 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@@H+]1CCC[C@H]1C ZINC001314953672 1071426019 /nfs/dbraw/zinc/42/60/19/1071426019.db2.gz XVXZKOIFWJKKKD-LSDHHAIUSA-N 1 0 497.869 3.664 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313873789 1071426477 /nfs/dbraw/zinc/42/64/77/1071426477.db2.gz DJAYWDDWULSZKR-HKBOAZHASA-N 1 0 494.606 3.969 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1)c1ccsc1 ZINC001310490153 1071428336 /nfs/dbraw/zinc/42/83/36/1071428336.db2.gz BHBKCAALVHSRKJ-LJQANCHMSA-N 1 0 450.630 3.702 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@@H](C)Oc2ccccc2OC)C[C@H]1C ZINC001313872659 1071423113 /nfs/dbraw/zinc/42/31/13/1071423113.db2.gz KBKZNSAPUAQBCU-HSALFYBXSA-N 1 0 450.587 3.735 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC001313875109 1071432167 /nfs/dbraw/zinc/43/21/67/1071432167.db2.gz LBBUJCZVIYUALH-OALUTQOASA-N 1 0 472.037 3.769 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1C ZINC001313875168 1071432833 /nfs/dbraw/zinc/43/28/33/1071432833.db2.gz RBEOVLFJTAIEPG-UONOGXRCSA-N 1 0 482.942 3.713 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001313876384 1071437361 /nfs/dbraw/zinc/43/73/61/1071437361.db2.gz JGOACRZGHWWRRJ-RUZDIDTESA-N 1 0 496.700 3.706 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccccc2Cl)C[C@@H]1C ZINC001313876583 1071438279 /nfs/dbraw/zinc/43/82/79/1071438279.db2.gz UIOKWUZGGWLTCR-LLJLJFOGSA-N 1 0 455.006 3.820 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCCO[C@H](c3ccccc3)C2)CC1 ZINC001313875424 1071434561 /nfs/dbraw/zinc/43/45/61/1071434561.db2.gz HMFNOXZWCNPMNH-QHCPKHFHSA-N 1 0 468.646 3.506 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2ccccc2OC)C[C@@H]1C ZINC001313875478 1071434592 /nfs/dbraw/zinc/43/45/92/1071434592.db2.gz LVSZYUYJABNHGD-FKBYEOEOSA-N 1 0 481.645 3.535 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Oc2ccccc2OC)C[C@H]1C ZINC001313875476 1071434704 /nfs/dbraw/zinc/43/47/04/1071434704.db2.gz LVSZYUYJABNHGD-BHIFYINESA-N 1 0 481.645 3.535 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001313875571 1071435298 /nfs/dbraw/zinc/43/52/98/1071435298.db2.gz AGGHPERNSARMBI-XXBNENTESA-N 1 0 486.636 3.784 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2F)C[C@@H]1C ZINC001313878640 1071445247 /nfs/dbraw/zinc/44/52/47/1071445247.db2.gz WQZDMMICKHPHJX-IRXDYDNUSA-N 1 0 474.531 3.679 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCC2(O)CCC2)C[C@H]1C ZINC001313878847 1071445825 /nfs/dbraw/zinc/44/58/25/1071445825.db2.gz ZCKSXSILIZCYQX-SJORKVTESA-N 1 0 462.436 3.932 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCc2ccc(OC)cc2OC)C[C@H]1C ZINC001313878835 1071445989 /nfs/dbraw/zinc/44/59/89/1071445989.db2.gz ZAFVVLMYBMGSGO-RTBURBONSA-N 1 0 450.587 3.519 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001314966028 1071448352 /nfs/dbraw/zinc/44/83/52/1071448352.db2.gz YFDOOYPQOXYFHS-MZURWIMNSA-N 1 0 496.700 3.852 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2Cc2ncccc2C)C[C@H]1C ZINC001313879368 1071449537 /nfs/dbraw/zinc/44/95/37/1071449537.db2.gz ZNPZTPITRRUFFX-UXHICEINSA-N 1 0 450.587 3.536 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(OC)cc2OC)CC1 ZINC001313879552 1071449870 /nfs/dbraw/zinc/44/98/70/1071449870.db2.gz FMDQDHUTHMAUGY-OAQYLSRUSA-N 1 0 457.619 3.558 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(OC)cc2OC)CC1 ZINC001313879551 1071450067 /nfs/dbraw/zinc/45/00/67/1071450067.db2.gz FMDQDHUTHMAUGY-NRFANRHFSA-N 1 0 457.619 3.558 20 0 JHADRO CC[NH+]1CCC(CCn2c(CSc3ccccc3OC)nnc2N2CC(C)(OC)C2)CC1 ZINC001313881203 1071454267 /nfs/dbraw/zinc/45/42/67/1071454267.db2.gz HOEHOKWUJQBGKG-UHFFFAOYSA-N 1 0 459.660 3.926 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001313882226 1071457666 /nfs/dbraw/zinc/45/76/66/1071457666.db2.gz YYYUBMUSTGVJFT-UHFFFAOYSA-N 1 0 452.647 3.762 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001313882391 1071458368 /nfs/dbraw/zinc/45/83/68/1071458368.db2.gz XGGHGSJAAAJWOW-MHZLTWQESA-N 1 0 482.673 3.558 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001314971729 1071458914 /nfs/dbraw/zinc/45/89/14/1071458914.db2.gz PEPRJWRMDHGOBH-CUBQBAPOSA-N 1 0 496.700 3.545 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3cccc(C)c3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001313882650 1071459097 /nfs/dbraw/zinc/45/90/97/1071459097.db2.gz KNYWSHNXTWSDGV-UHFFFAOYSA-N 1 0 496.700 3.982 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(N(C)C(C)=O)CC2)C1 ZINC001313884066 1071463395 /nfs/dbraw/zinc/46/33/95/1071463395.db2.gz MKIOJHBKJNDKAX-QUCCMNQESA-N 1 0 489.064 3.860 20 0 JHADRO CC[NH+]1CCC(CCn2c(CN3CCCC3=O)nnc2N(Cc2cccs2)C(C)C)CC1 ZINC001313882872 1071459908 /nfs/dbraw/zinc/45/99/08/1071459908.db2.gz NTZULUUDWQNFAA-UHFFFAOYSA-N 1 0 458.676 3.999 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(C(C)C)nnc2N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001313884931 1071465072 /nfs/dbraw/zinc/46/50/72/1071465072.db2.gz VFJFQPJIKHXXPA-LJQANCHMSA-N 1 0 459.038 3.749 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001314975863 1071466057 /nfs/dbraw/zinc/46/60/57/1071466057.db2.gz CTJQLESIAUWWEG-GOSISDBHSA-N 1 0 450.587 3.574 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001313885181 1071466392 /nfs/dbraw/zinc/46/63/92/1071466392.db2.gz XXHNHGABMSMPSO-IRXDYDNUSA-N 1 0 476.000 3.922 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001314976101 1071466956 /nfs/dbraw/zinc/46/69/56/1071466956.db2.gz HVRRNWSUBUINSF-NRFANRHFSA-N 1 0 464.614 3.963 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001313885870 1071468284 /nfs/dbraw/zinc/46/82/84/1071468284.db2.gz QRPAJWKOPLFQDT-RTWAWAEBSA-N 1 0 495.672 3.994 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001313886744 1071470719 /nfs/dbraw/zinc/47/07/19/1071470719.db2.gz PVOUYOATWSNTIM-LJQANCHMSA-N 1 0 489.064 3.644 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCC[C@@H](COC)C2)C1 ZINC001313886689 1071470829 /nfs/dbraw/zinc/47/08/29/1071470829.db2.gz PKHNBPHYWJLSHQ-NHCUHLMSSA-N 1 0 471.646 3.946 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CC[C@H](C)[C@H](OC)C2)C1 ZINC001313888284 1071476847 /nfs/dbraw/zinc/47/68/47/1071476847.db2.gz BGADJLGBXCRASE-IRFCIJBXSA-N 1 0 459.660 3.782 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCOCC2CC2)C1 ZINC001313889013 1071477673 /nfs/dbraw/zinc/47/76/73/1071477673.db2.gz IQPHRLUVJUHSJM-GOSISDBHSA-N 1 0 462.436 3.912 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001313888558 1071477713 /nfs/dbraw/zinc/47/77/13/1071477713.db2.gz WOWZXXSFAHRSOG-UXHICEINSA-N 1 0 458.676 3.666 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCS[C@@H](C(C)C)C2)C1 ZINC001313889122 1071479405 /nfs/dbraw/zinc/47/94/05/1071479405.db2.gz GPGKLXXTFJHTTC-DENIHFKCSA-N 1 0 459.660 3.785 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2ccnc2C)C[C@H]1C ZINC001313889331 1071479787 /nfs/dbraw/zinc/47/97/87/1071479787.db2.gz XPCGFFYSWXVYIN-RTBURBONSA-N 1 0 469.659 3.703 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001313890098 1071481341 /nfs/dbraw/zinc/48/13/41/1071481341.db2.gz MGRUEOJMJCLTJR-HNNXBMFYSA-N 1 0 467.445 3.945 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC[C@H](CCOC)C2)C1 ZINC001313889724 1071481469 /nfs/dbraw/zinc/48/14/69/1071481469.db2.gz UOBYWHNTEAUINA-NHCUHLMSSA-N 1 0 490.693 3.597 20 0 JHADRO 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CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313892610 1071488673 /nfs/dbraw/zinc/48/86/73/1071488673.db2.gz GMPSILSIYQIXFQ-ZJSXRUAMSA-N 1 0 482.673 3.872 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC001313893314 1071489341 /nfs/dbraw/zinc/48/93/41/1071489341.db2.gz CODZAHUTXQPXTO-LJQANCHMSA-N 1 0 470.643 3.629 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001313893788 1071491650 /nfs/dbraw/zinc/49/16/50/1071491650.db2.gz QDRXKFXDFRHDOL-NHCUHLMSSA-N 1 0 468.646 3.569 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CC[N@H+](CC)C2)C1)CC(F)(F)F ZINC001313893920 1071491685 /nfs/dbraw/zinc/49/16/85/1071491685.db2.gz QSUVSSXVHSPUDJ-RTBURBONSA-N 1 0 456.601 3.988 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001313894311 1071492482 /nfs/dbraw/zinc/49/24/82/1071492482.db2.gz VADUEEHQDDXDQT-IXDOHACOSA-N 1 0 478.435 3.814 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001313894548 1071493273 /nfs/dbraw/zinc/49/32/73/1071493273.db2.gz BJXURJWVHUSYHA-LJQANCHMSA-N 1 0 463.001 3.669 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC[N@H+](CC)C2)C1)CC(F)(F)F ZINC001313894318 1071493417 /nfs/dbraw/zinc/49/34/17/1071493417.db2.gz SFQMETKXHFSVMY-WOJBJXKFSA-N 1 0 479.595 3.701 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001314986442 1071494429 /nfs/dbraw/zinc/49/44/29/1071494429.db2.gz SNLVVGHOALBIGF-SJBKTWHCSA-N 1 0 486.636 3.640 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313894899 1071495810 /nfs/dbraw/zinc/49/58/10/1071495810.db2.gz DYTRQFAIYIEKNK-GOEBONIOSA-N 1 0 496.837 3.845 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001313895405 1071497300 /nfs/dbraw/zinc/49/73/00/1071497300.db2.gz HXVYFGWJPUKXJK-RTWAWAEBSA-N 1 0 492.462 3.824 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001314987150 1071498042 /nfs/dbraw/zinc/49/80/42/1071498042.db2.gz AFHAZGCMYYIJDJ-IFMALSPDSA-N 1 0 454.663 3.740 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001313896365 1071499347 /nfs/dbraw/zinc/49/93/47/1071499347.db2.gz OGOWMLNQMGJCTF-RLLQIKCJSA-N 1 0 492.462 3.740 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001314989091 1071502695 /nfs/dbraw/zinc/50/26/95/1071502695.db2.gz NEHHGDGHYDYYPD-IBGZPJMESA-N 1 0 459.038 3.825 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313897555 1071502631 /nfs/dbraw/zinc/50/26/31/1071502631.db2.gz YMCDRBJOODAYDF-MOPGFXCFSA-N 1 0 458.607 3.824 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@H](C)C1 ZINC001313898281 1071504999 /nfs/dbraw/zinc/50/49/99/1071504999.db2.gz PLEALDKTUDWHBJ-GHTZIAJQSA-N 1 0 459.038 3.972 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2ccc(Cl)s2)C1 ZINC001313898317 1071505267 /nfs/dbraw/zinc/50/52/67/1071505267.db2.gz QLFAPLRZXCGUFZ-BXWFABGCSA-N 1 0 454.040 3.695 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313898781 1071505672 /nfs/dbraw/zinc/50/56/72/1071505672.db2.gz DUDAJBJAPPEKSV-CEWLAPEOSA-N 1 0 460.667 3.845 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 ZINC001313898979 1071506617 /nfs/dbraw/zinc/50/66/17/1071506617.db2.gz FMHYNUWSXJYHTB-NJYVYQBISA-N 1 0 476.666 3.697 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001314991221 1071506671 /nfs/dbraw/zinc/50/66/71/1071506671.db2.gz SRDNWCAJXMBAJP-MOPGFXCFSA-N 1 0 489.064 3.692 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001314991495 1071507268 /nfs/dbraw/zinc/50/72/68/1071507268.db2.gz IBWCYRMRZLXKKY-SFHVURJKSA-N 1 0 491.478 3.789 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[NH+]2CCCCC2)C1 ZINC001314992881 1071509270 /nfs/dbraw/zinc/50/92/70/1071509270.db2.gz CVEASVAMYNLIAB-QFIPXVFZSA-N 1 0 482.673 3.737 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCOc1ccccc1F ZINC001313900642 1071509320 /nfs/dbraw/zinc/50/93/20/1071509320.db2.gz NVFSWKIVJJDGRX-IBGZPJMESA-N 1 0 458.607 3.772 20 0 JHADRO CCn1nc(-c2nnc(N(C)[C@@H](C)CCSC)n2C[C@H]2CCC[N@@H+]2CC)c2ccccc2c1=O ZINC001313900323 1071509600 /nfs/dbraw/zinc/50/96/00/1071509600.db2.gz ANZLFJOWWYSYJY-RBUKOAKNSA-N 1 0 483.686 3.737 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001314993075 1071509830 /nfs/dbraw/zinc/50/98/30/1071509830.db2.gz FHNDDEXJQZFZBZ-QHCPKHFHSA-N 1 0 482.673 3.558 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)C)nnc1N(CCO)Cc1ccc(F)c(Br)c1 ZINC001313901627 1071511626 /nfs/dbraw/zinc/51/16/26/1071511626.db2.gz YYXUOBACRDCLPL-GOSISDBHSA-N 1 0 482.442 3.861 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N(CCO)Cc1ccc(F)c(Br)c1 ZINC001313901629 1071511886 /nfs/dbraw/zinc/51/18/86/1071511886.db2.gz YYXUOBACRDCLPL-SFHVURJKSA-N 1 0 482.442 3.861 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001313901844 1071512551 /nfs/dbraw/zinc/51/25/51/1071512551.db2.gz IBFVVWZOSPGIPB-LJQANCHMSA-N 1 0 461.054 3.630 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314996629 1071514044 /nfs/dbraw/zinc/51/40/44/1071514044.db2.gz YYHYZACFLQJCIG-FUPPJEDESA-N 1 0 466.674 3.974 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001313902652 1071514102 /nfs/dbraw/zinc/51/41/02/1071514102.db2.gz HTRSVLGSAZOXRU-NZQKXSOJSA-N 1 0 465.646 3.787 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001314996631 1071514198 /nfs/dbraw/zinc/51/41/98/1071514198.db2.gz YYHYZACFLQJCIG-MQSCRBSSSA-N 1 0 466.674 3.974 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc(Cl)ccc1OC ZINC001313904953 1071520030 /nfs/dbraw/zinc/52/00/30/1071520030.db2.gz KHIKEOKRDXSDAC-XJABCFGWSA-N 1 0 478.037 3.785 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001313903647 1071515610 /nfs/dbraw/zinc/51/56/10/1071515610.db2.gz DATYICUAYYESBR-QKNQBKEWSA-N 1 0 459.660 3.705 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 ZINC001313904199 1071517365 /nfs/dbraw/zinc/51/73/65/1071517365.db2.gz QFKMTGBABBATGZ-CTNGQTDRSA-N 1 0 462.038 3.961 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313904307 1071517774 /nfs/dbraw/zinc/51/77/74/1071517774.db2.gz TURVFRIZKSZDTC-FCHUYYIVSA-N 1 0 452.647 3.726 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313904524 1071518598 /nfs/dbraw/zinc/51/85/98/1071518598.db2.gz IYSOVNBKOFTOTM-BSWQBHCVSA-N 1 0 489.064 3.908 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313904541 1071518613 /nfs/dbraw/zinc/51/86/13/1071518613.db2.gz QQNQBJPQBRZSRS-ROUUACIJSA-N 1 0 484.542 3.553 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313906248 1071523967 /nfs/dbraw/zinc/52/39/67/1071523967.db2.gz VRLCKOZLLLDAQV-UFYCRDLUSA-N 1 0 488.608 3.709 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1 ZINC001313907036 1071526040 /nfs/dbraw/zinc/52/60/40/1071526040.db2.gz VTDGHGDQERQJND-SFHVURJKSA-N 1 0 466.964 3.581 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001315001667 1071525285 /nfs/dbraw/zinc/52/52/85/1071525285.db2.gz VFPUQKHCNNEBNN-NRFANRHFSA-N 1 0 452.647 3.871 20 0 JHADRO CNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001314999771 1071521059 /nfs/dbraw/zinc/52/10/59/1071521059.db2.gz GBDXMFKCKKMYAF-IBGZPJMESA-N 1 0 486.636 3.784 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001313905358 1071521366 /nfs/dbraw/zinc/52/13/66/1071521366.db2.gz WVMVCQBAXYBGPV-HXUWFJFHSA-N 1 0 471.650 3.509 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313905600 1071522107 /nfs/dbraw/zinc/52/21/07/1071522107.db2.gz VZZRTNABYBDDDS-LADGPHEKSA-N 1 0 471.646 3.588 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313905987 1071522858 /nfs/dbraw/zinc/52/28/58/1071522858.db2.gz WXMUZMYSRFWEOR-OFNKIYASSA-N 1 0 482.673 3.696 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313907233 1071526445 /nfs/dbraw/zinc/52/64/45/1071526445.db2.gz ZVNOYIJNKSMPMJ-URXFXBBRSA-N 1 0 463.573 3.718 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313907231 1071526468 /nfs/dbraw/zinc/52/64/68/1071526468.db2.gz ZVNOYIJNKSMPMJ-QPPBQGQZSA-N 1 0 463.573 3.718 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001313908663 1071530985 /nfs/dbraw/zinc/53/09/85/1071530985.db2.gz AOJOZYLMDXWJAK-HBMCJLEFSA-N 1 0 460.667 3.525 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C)C1 ZINC001313907585 1071528130 /nfs/dbraw/zinc/52/81/30/1071528130.db2.gz IJYPXCHMNSUCIE-SJLPKXTDSA-N 1 0 478.435 3.816 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001313909122 1071531669 /nfs/dbraw/zinc/53/16/69/1071531669.db2.gz NNQBSBRKBBQXAV-LJQANCHMSA-N 1 0 476.572 3.513 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313909705 1071533165 /nfs/dbraw/zinc/53/31/65/1071533165.db2.gz UCVKFBDJVOEHRF-HQRMLTQVSA-N 1 0 467.536 3.984 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC(=O)NC(C)C ZINC001313911063 1071537061 /nfs/dbraw/zinc/53/70/61/1071537061.db2.gz ZDRSFFGLYYIIIH-IBGZPJMESA-N 1 0 491.478 3.851 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccccc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001315019788 1071539111 /nfs/dbraw/zinc/53/91/11/1071539111.db2.gz BZTKYGVDFYBBDU-RXFWQSSRSA-N 1 0 452.647 3.808 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313912188 1071539567 /nfs/dbraw/zinc/53/95/67/1071539567.db2.gz UZQABECCFZJJSZ-NQIIRXRSSA-N 1 0 474.675 3.655 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001315020225 1071539554 /nfs/dbraw/zinc/53/95/54/1071539554.db2.gz BOXKKNMUXMYKCV-UHFFFAOYSA-N 1 0 482.673 3.818 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001315023947 1071545829 /nfs/dbraw/zinc/54/58/29/1071545829.db2.gz BFEUHYOHESGRTA-OAQYLSRUSA-N 1 0 466.674 3.652 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313914076 1071546012 /nfs/dbraw/zinc/54/60/12/1071546012.db2.gz QOKBIJYIIBTJPO-ZEQRLZLVSA-N 1 0 455.647 3.682 20 0 JHADRO CCN1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)C[NH+]2CCCC2)CC1=O ZINC001313913263 1071542841 /nfs/dbraw/zinc/54/28/41/1071542841.db2.gz KONGGXUMJBILHC-FQEVSTJZSA-N 1 0 486.636 3.738 20 0 JHADRO CCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)C[NH+]2CCCC2)CC1=O ZINC001313913265 1071542877 /nfs/dbraw/zinc/54/28/77/1071542877.db2.gz KONGGXUMJBILHC-HXUWFJFHSA-N 1 0 486.636 3.738 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001313913642 1071544290 /nfs/dbraw/zinc/54/42/90/1071544290.db2.gz QHSLWVOWLRTNOV-QFIPXVFZSA-N 1 0 472.653 3.821 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315026137 1071550801 /nfs/dbraw/zinc/55/08/01/1071550801.db2.gz HAMQJOQCDWNWMY-CALCHBBNSA-N 1 0 495.043 3.588 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313916098 1071552012 /nfs/dbraw/zinc/55/20/12/1071552012.db2.gz VJAARFBOZQWTLF-OAQYLSRUSA-N 1 0 489.064 3.867 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001315026608 1071552352 /nfs/dbraw/zinc/55/23/52/1071552352.db2.gz JLICHNBYQCTYAW-HXUWFJFHSA-N 1 0 463.630 3.576 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313916521 1071553086 /nfs/dbraw/zinc/55/30/86/1071553086.db2.gz YOWKXGWDUDXSAG-QFIPXVFZSA-N 1 0 482.673 3.735 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001313916494 1071553113 /nfs/dbraw/zinc/55/31/13/1071553113.db2.gz YFNORJJHPBNZKD-HKUYNNGSSA-N 1 0 477.078 3.765 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315027411 1071554007 /nfs/dbraw/zinc/55/40/07/1071554007.db2.gz RBCUYLAJVLETFL-KRWDZBQOSA-N 1 0 465.017 3.822 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001315027665 1071554471 /nfs/dbraw/zinc/55/44/71/1071554471.db2.gz WWBKLPILYZDGHO-RUZDIDTESA-N 1 0 480.701 3.926 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)C[NH+](C)C ZINC001315028447 1071556060 /nfs/dbraw/zinc/55/60/60/1071556060.db2.gz GQJABULUUKFOFM-UHFFFAOYSA-N 1 0 499.885 3.911 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCC2CC2)CC1 ZINC001313919423 1071556732 /nfs/dbraw/zinc/55/67/32/1071556732.db2.gz BGSACBKQZRCZKM-GOSISDBHSA-N 1 0 475.479 3.970 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313919412 1071557107 /nfs/dbraw/zinc/55/71/07/1071557107.db2.gz AVJSTNMKCBWMOT-SBHAEUEKSA-N 1 0 476.666 3.525 20 0 JHADRO CNC(=O)CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CC[NH+](C2CC2)CC1 ZINC001315031361 1071560975 /nfs/dbraw/zinc/56/09/75/1071560975.db2.gz KJNALCPJGJKKNL-QGZVFWFLSA-N 1 0 475.037 3.518 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001315031703 1071561595 /nfs/dbraw/zinc/56/15/95/1071561595.db2.gz VHHYPCXQZJSAIO-FQEVSTJZSA-N 1 0 463.630 3.639 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCSCC2)CC1 ZINC001313922453 1071564350 /nfs/dbraw/zinc/56/43/50/1071564350.db2.gz WPSNGPYZHGRCMY-FQEVSTJZSA-N 1 0 456.704 3.822 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313924448 1071570879 /nfs/dbraw/zinc/57/08/79/1071570879.db2.gz GBWGMRWYJCCZAI-QUCCMNQESA-N 1 0 480.579 3.758 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC001313925032 1071571967 /nfs/dbraw/zinc/57/19/67/1071571967.db2.gz LGFHCPBYFVAGDV-JOCHJYFZSA-N 1 0 477.657 3.790 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313925340 1071572858 /nfs/dbraw/zinc/57/28/58/1071572858.db2.gz OMADTJQEKZWSMR-OAQYLSRUSA-N 1 0 454.663 3.673 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313926559 1071576886 /nfs/dbraw/zinc/57/68/86/1071576886.db2.gz DICBRDGYKYOVAY-SFHLNBCPSA-N 1 0 476.616 3.674 20 0 JHADRO CNC(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001315045865 1071577588 /nfs/dbraw/zinc/57/75/88/1071577588.db2.gz UDMDWDRNRDTMEP-MRXNPFEDSA-N 1 0 465.429 3.700 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(N3CCC([C@H](O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313926978 1071578217 /nfs/dbraw/zinc/57/82/17/1071578217.db2.gz GRVYKTVQJRXKSA-GBXCKJPGSA-N 1 0 486.680 3.691 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC001313927660 1071581210 /nfs/dbraw/zinc/58/12/10/1071581210.db2.gz JNTNQNVIOALBMV-JOCHJYFZSA-N 1 0 495.716 3.748 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(C(C)C)nnc3N(C)Cc3ccc(OC)cc3OC)cn2)CC1 ZINC001313927282 1071579255 /nfs/dbraw/zinc/57/92/55/1071579255.db2.gz KDHIWNPCBNBRGK-UHFFFAOYSA-N 1 0 493.656 3.640 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC2CCC2)CC1 ZINC001313927248 1071579309 /nfs/dbraw/zinc/57/93/09/1071579309.db2.gz JNCXAYMNJDKDMU-LJQANCHMSA-N 1 0 461.054 3.773 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313927606 1071580697 /nfs/dbraw/zinc/58/06/97/1071580697.db2.gz KQTFLJCCFVLEDR-JIPXPUAJSA-N 1 0 486.680 3.675 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313927620 1071580775 /nfs/dbraw/zinc/58/07/75/1071580775.db2.gz KSHJRSMNZIVUJK-NZQKXSOJSA-N 1 0 475.081 3.734 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313929330 1071586495 /nfs/dbraw/zinc/58/64/95/1071586495.db2.gz YZXTZTPODCCSEF-PMACEKPBSA-N 1 0 491.080 3.540 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313928043 1071582687 /nfs/dbraw/zinc/58/26/87/1071582687.db2.gz NCDYPFZUKPLGOB-VXKWHMMOSA-N 1 0 482.652 3.502 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001313928280 1071583173 /nfs/dbraw/zinc/58/31/73/1071583173.db2.gz TYSXSBDMKVDHQW-HOFKKMOUSA-N 1 0 484.689 3.505 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313928634 1071584485 /nfs/dbraw/zinc/58/44/85/1071584485.db2.gz CBXBKGTTZOSEIY-UXHICEINSA-N 1 0 475.609 3.673 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001313929842 1071588214 /nfs/dbraw/zinc/58/82/14/1071588214.db2.gz AMNUAVGDDSAGQC-HXUWFJFHSA-N 1 0 494.640 3.810 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)C[C@@H]1C ZINC001313930361 1071589353 /nfs/dbraw/zinc/58/93/53/1071589353.db2.gz LZABFIKSFXXSPM-RBUKOAKNSA-N 1 0 472.609 3.537 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001313930447 1071589595 /nfs/dbraw/zinc/58/95/95/1071589595.db2.gz COGRKZTTWQTRSY-CYBMUJFWSA-N 1 0 493.841 3.561 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313930499 1071590323 /nfs/dbraw/zinc/59/03/23/1071590323.db2.gz DRDSJRZAQHTOFB-HNNXBMFYSA-N 1 0 495.491 3.558 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCCCC2)C1 ZINC001315082020 1071590810 /nfs/dbraw/zinc/59/08/10/1071590810.db2.gz QARWVIKOYUZFGV-QGZVFWFLSA-N 1 0 476.419 3.583 20 0 JHADRO COC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001315088212 1071593070 /nfs/dbraw/zinc/59/30/70/1071593070.db2.gz GLASQGGMHJNXAU-GOSISDBHSA-N 1 0 473.593 3.821 20 0 JHADRO COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001315088106 1071593106 /nfs/dbraw/zinc/59/31/06/1071593106.db2.gz LEPLMKWWJQOCTL-RDTXWAMCSA-N 1 0 496.837 3.701 20 0 JHADRO COC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001315088213 1071593201 /nfs/dbraw/zinc/59/32/01/1071593201.db2.gz GLASQGGMHJNXAU-SFHVURJKSA-N 1 0 473.593 3.821 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)CCCS2)C[C@H]1C ZINC001313931680 1071593421 /nfs/dbraw/zinc/59/34/21/1071593421.db2.gz SDEQTRXMLLUGLL-HXOBKFHXSA-N 1 0 477.078 3.678 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)CCCS2)C[C@@H]1C ZINC001313931681 1071593546 /nfs/dbraw/zinc/59/35/46/1071593546.db2.gz SDEQTRXMLLUGLL-SBUREZEXSA-N 1 0 477.078 3.678 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2nc(C)cc2C)C[C@H]1C ZINC001313932497 1071595592 /nfs/dbraw/zinc/59/55/92/1071595592.db2.gz IARWGQNKOJSHNG-LJQANCHMSA-N 1 0 473.572 3.981 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCSCCCO)C[C@@H]1C ZINC001313933591 1071598434 /nfs/dbraw/zinc/59/84/34/1071598434.db2.gz PAVNCHOZRONOQE-ROUUACIJSA-N 1 0 463.717 3.777 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(F)cccc2Cl)C[C@H]1C ZINC001313933900 1071599822 /nfs/dbraw/zinc/59/98/22/1071599822.db2.gz OKKSKXGTNXLQDU-UZUQRXQVSA-N 1 0 466.001 3.690 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)(C)C)nnc3N(C)CCCSC)cn2)CC1 ZINC001313934438 1071602321 /nfs/dbraw/zinc/60/23/21/1071602321.db2.gz RKLJYLDCWPWJJS-UHFFFAOYSA-N 1 0 459.708 3.641 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(OC)cc2)C[C@H]1C ZINC001313935072 1071604215 /nfs/dbraw/zinc/60/42/15/1071604215.db2.gz WCVGDHODVJVWCE-MRXNPFEDSA-N 1 0 473.419 3.817 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2(O)CCC2)C[C@H]1C ZINC001313935048 1071604375 /nfs/dbraw/zinc/60/43/75/1071604375.db2.gz VLGHHJCOHULDEL-OAHLLOKOSA-N 1 0 466.399 3.682 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](C)COC)C[C@@H]1C ZINC001313935410 1071605534 /nfs/dbraw/zinc/60/55/34/1071605534.db2.gz ZDVBOIQCOWKLHJ-HOTGVXAUSA-N 1 0 466.424 3.529 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(-c4ccccc4)nnc3N(C)CCCSC)cn2)CC1 ZINC001313935719 1071606506 /nfs/dbraw/zinc/60/65/06/1071606506.db2.gz ZZFNGMICELYKRT-UHFFFAOYSA-N 1 0 465.671 3.720 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCOc2ncccc2F)C[C@@H]1C ZINC001313936898 1071609759 /nfs/dbraw/zinc/60/97/59/1071609759.db2.gz QUHFMIHSRRXHEI-INIZCTEOSA-N 1 0 489.393 3.851 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C[C@H]1C ZINC001313935685 1071606755 /nfs/dbraw/zinc/60/67/55/1071606755.db2.gz YZRRTKPMQRSVHW-CRAIPNDOSA-N 1 0 470.515 3.568 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](SC)C(C)(C)C)C[C@@H]1C ZINC001313937302 1071610708 /nfs/dbraw/zinc/61/07/08/1071610708.db2.gz LBJTVVIDKUMKEE-PZJWPPBQSA-N 1 0 486.734 3.760 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2sccc2Br)C[C@@H]1C ZINC001313938715 1071612057 /nfs/dbraw/zinc/61/20/57/1071612057.db2.gz WYLYMDXULZCITE-GJZGRUSLSA-N 1 0 454.438 3.575 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313939421 1071613446 /nfs/dbraw/zinc/61/34/46/1071613446.db2.gz DKQJFIQXEGBWGD-HNAYVOBHSA-N 1 0 450.509 3.924 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001313941319 1071617081 /nfs/dbraw/zinc/61/70/81/1071617081.db2.gz BJFSMDFGAWFLDI-HSZRJFAPSA-N 1 0 498.716 3.930 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC001313942010 1071618810 /nfs/dbraw/zinc/61/88/10/1071618810.db2.gz GPEHOJWKSBBWST-AWEZNQCLSA-N 1 0 498.600 3.929 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(O)cc2)C[C@@H]1C ZINC001313942666 1071620816 /nfs/dbraw/zinc/62/08/16/1071620816.db2.gz KHQYNDDHCAMNLJ-SESVDKBCSA-N 1 0 484.645 3.528 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC3(CCOC)CCCCC3)C2)CC1 ZINC001313943345 1071622699 /nfs/dbraw/zinc/62/26/99/1071622699.db2.gz REFLGTHJXPGUJE-JOCHJYFZSA-N 1 0 460.711 3.779 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCCC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@H]1C ZINC001313943477 1071623336 /nfs/dbraw/zinc/62/33/36/1071623336.db2.gz STGSUYWAMVZXJF-VGSWGCGISA-N 1 0 451.537 3.916 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001313943731 1071623855 /nfs/dbraw/zinc/62/38/55/1071623855.db2.gz VDDYOVDOCIAQFL-OAQYLSRUSA-N 1 0 465.646 3.905 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCCCCC2=O)C[C@H]1C ZINC001313944000 1071624393 /nfs/dbraw/zinc/62/43/93/1071624393.db2.gz XXYQJJYFLCTOPK-HSZRJFAPSA-N 1 0 482.673 3.797 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@H](C)COC)C2)CC1 ZINC001313945323 1071626085 /nfs/dbraw/zinc/62/60/85/1071626085.db2.gz MZNMTRXKARQDFP-URXFXBBRSA-N 1 0 468.690 3.741 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CC[C@H](C)c3ccc(OC)cc3)C2)CC1 ZINC001313946404 1071628581 /nfs/dbraw/zinc/62/85/81/1071628581.db2.gz BQDMYGOVPRKJHF-LADGPHEKSA-N 1 0 468.690 3.895 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313946574 1071629201 /nfs/dbraw/zinc/62/92/01/1071629201.db2.gz BNDVKDFEVAIINV-FQEVSTJZSA-N 1 0 494.606 3.970 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CCCn2cc(Br)cn2)C[C@@H]1C ZINC001313947006 1071630356 /nfs/dbraw/zinc/63/03/56/1071630356.db2.gz UPRAOALRLNOBOJ-KRWDZBQOSA-N 1 0 490.425 3.588 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(OC)C2CC2)C[C@H]1C ZINC001313947416 1071631465 /nfs/dbraw/zinc/63/14/65/1071631465.db2.gz HARVFOLXZNAHPN-HOYKHHGWSA-N 1 0 459.660 3.925 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(F)(F)F)n3)C2)CC1 ZINC001313947266 1071631539 /nfs/dbraw/zinc/63/15/39/1071631539.db2.gz KCUGAJNKKCPENX-LJQANCHMSA-N 1 0 479.595 3.545 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)N(C)c3ccccc3)C2)CC1 ZINC001313948491 1071633966 /nfs/dbraw/zinc/63/39/66/1071633966.db2.gz QVTICFGOPMLSEB-VWNXMTODSA-N 1 0 467.706 3.608 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC[C@@](C)(CC)O2)C[C@@H]1C ZINC001313948949 1071635203 /nfs/dbraw/zinc/63/52/03/1071635203.db2.gz MPQMZPMSVVZKTD-KIVTUJJHSA-N 1 0 457.619 3.744 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313949102 1071635256 /nfs/dbraw/zinc/63/52/56/1071635256.db2.gz HQLGZCFDTFUJAJ-AQNXPRMDSA-N 1 0 476.616 3.912 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCC[C@@H](c3nc(C(C)C)cs3)C2)CC1 ZINC001313950693 1071638906 /nfs/dbraw/zinc/63/89/06/1071638906.db2.gz PXHZIOFSCDUGLV-PZJWPPBQSA-N 1 0 459.708 3.824 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001313952693 1071646600 /nfs/dbraw/zinc/64/66/00/1071646600.db2.gz UBUJEXVHFNAAES-QPPBQGQZSA-N 1 0 472.653 3.895 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccn3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001313953121 1071647599 /nfs/dbraw/zinc/64/75/99/1071647599.db2.gz GTQXYLLYIYZQTD-UHFFFAOYSA-N 1 0 451.663 3.940 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001313953502 1071647797 /nfs/dbraw/zinc/64/77/97/1071647797.db2.gz HLSLHGCKVHJKLL-FGZHOGPDSA-N 1 0 454.663 3.996 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001313953400 1071648323 /nfs/dbraw/zinc/64/83/23/1071648323.db2.gz KMMATKBIEPXIQQ-HXUWFJFHSA-N 1 0 468.049 3.904 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001313953398 1071648446 /nfs/dbraw/zinc/64/84/46/1071648446.db2.gz KMMATKBIEPXIQQ-FQEVSTJZSA-N 1 0 468.049 3.904 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC3CCCC3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313954199 1071650742 /nfs/dbraw/zinc/65/07/42/1071650742.db2.gz AZBHPWJQUFMUJI-LJQANCHMSA-N 1 0 452.638 3.766 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C)cc3)CC2)CC1 ZINC001313954588 1071651666 /nfs/dbraw/zinc/65/16/66/1071651666.db2.gz RNKZRLXIFIUIQO-UHFFFAOYSA-N 1 0 481.733 3.919 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)c2ccccc2C)CC1 ZINC001313954454 1071651790 /nfs/dbraw/zinc/65/17/90/1071651790.db2.gz NSWMEEZIVOFFPZ-JOCHJYFZSA-N 1 0 464.662 3.602 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001313954720 1071652487 /nfs/dbraw/zinc/65/24/87/1071652487.db2.gz PECOEJLSHWZRMC-RTWAWAEBSA-N 1 0 475.081 3.877 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3F)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313954595 1071652519 /nfs/dbraw/zinc/65/25/19/1071652519.db2.gz RZEVSDMNUHGSQM-NRFANRHFSA-N 1 0 478.607 3.907 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CC2CCCCC2)CC1 ZINC001313955193 1071652852 /nfs/dbraw/zinc/65/28/52/1071652852.db2.gz QHTTXFFXBGJLFM-OAQYLSRUSA-N 1 0 453.679 3.939 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(C)cs2)CC1 ZINC001313954818 1071652975 /nfs/dbraw/zinc/65/29/75/1071652975.db2.gz PZKOBFWOTYMTSS-HXUWFJFHSA-N 1 0 455.676 3.564 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313954966 1071653619 /nfs/dbraw/zinc/65/36/19/1071653619.db2.gz QYWSPRUHSLZUCU-SANMLTNESA-N 1 0 454.663 3.998 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313955247 1071654894 /nfs/dbraw/zinc/65/48/94/1071654894.db2.gz QQRNOBUVBKBMDZ-LJQANCHMSA-N 1 0 488.055 3.986 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313955395 1071655427 /nfs/dbraw/zinc/65/54/27/1071655427.db2.gz GMWBNFMIQJILHK-HSZRJFAPSA-N 1 0 452.691 3.963 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CC[C@@H](C)[C@H]2C)CC1 ZINC001313956472 1071657827 /nfs/dbraw/zinc/65/78/27/1071657827.db2.gz MQUUZMQMLGMPAZ-YTFSRNRJSA-N 1 0 454.663 3.674 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2CCc3c(F)cc(F)cc3C2)CC1 ZINC001313956767 1071658139 /nfs/dbraw/zinc/65/81/39/1071658139.db2.gz MZNHKQATCLAMSS-IBGZPJMESA-N 1 0 460.617 3.591 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC[C@H](C)C2)CC1 ZINC001313957109 1071659478 /nfs/dbraw/zinc/65/94/78/1071659478.db2.gz OTBGJMHSZJEXQT-BJKOFHAPSA-N 1 0 452.691 3.963 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313957942 1071662396 /nfs/dbraw/zinc/66/23/96/1071662396.db2.gz SNKAWCCNBXMEHO-IPMKNSEASA-N 1 0 458.617 3.775 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313958063 1071663094 /nfs/dbraw/zinc/66/30/94/1071663094.db2.gz OJALEFRUWYPUSI-UHFFFAOYSA-N 1 0 468.646 3.536 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](C)C2)CC1 ZINC001313958563 1071664116 /nfs/dbraw/zinc/66/41/16/1071664116.db2.gz VACGBKBDMDJFML-GOSISDBHSA-N 1 0 461.452 3.581 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccccc3F)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313958485 1071664141 /nfs/dbraw/zinc/66/41/41/1071664141.db2.gz SAIZZBYZNVVCKS-LJQANCHMSA-N 1 0 498.569 3.660 20 0 JHADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCc3cc(OCC(C)(C)C)ccc3C2)CC1 ZINC001313959709 1071667454 /nfs/dbraw/zinc/66/74/54/1071667454.db2.gz BXGXBYABKDEFGV-UHFFFAOYSA-N 1 0 454.663 3.602 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001313959854 1071668179 /nfs/dbraw/zinc/66/81/79/1071668179.db2.gz BPXDVGVARRYESN-VWLOTQADSA-N 1 0 498.716 3.753 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313960328 1071669724 /nfs/dbraw/zinc/66/97/24/1071669724.db2.gz IURYOEAQAFYHNL-NHCUHLMSSA-N 1 0 458.626 3.821 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C)C2)CC1 ZINC001313960330 1071669792 /nfs/dbraw/zinc/66/97/92/1071669792.db2.gz IURYOEAQAFYHNL-SFTDATJTSA-N 1 0 458.626 3.821 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001313960540 1071669875 /nfs/dbraw/zinc/66/98/75/1071669875.db2.gz KLYVRGDVCFNBNB-UPVQGACJSA-N 1 0 484.689 3.678 20 0 JHADRO CCn1nc(-c2nnc(N(C)CCC(C)C)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001313960714 1071670332 /nfs/dbraw/zinc/67/03/32/1071670332.db2.gz LWVHGFPOFDYLHM-UHFFFAOYSA-N 1 0 453.635 3.745 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3F)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313960821 1071671022 /nfs/dbraw/zinc/67/10/22/1071671022.db2.gz NDQZMAKECCUQKT-QHCPKHFHSA-N 1 0 486.680 3.820 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@H]3CCCO3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001313961260 1071672369 /nfs/dbraw/zinc/67/23/69/1071672369.db2.gz SUQVPPKAAFBICI-HXUWFJFHSA-N 1 0 472.600 3.716 20 0 JHADRO CCn1nc(-c2nnc(N3CCSC(CC)(CC)C3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001313965576 1071684309 /nfs/dbraw/zinc/68/43/09/1071684309.db2.gz MFRQRNBNIKDJSM-SFHVURJKSA-N 1 0 483.686 3.737 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313971998 1071697552 /nfs/dbraw/zinc/69/75/52/1071697552.db2.gz FDKXMBHMZSGXFP-MRXNPFEDSA-N 1 0 497.471 3.857 20 0 JHADRO CCNC(=O)C1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC([NH2+]C(C)C)CC2)CCC1 ZINC001313975130 1071704429 /nfs/dbraw/zinc/70/44/29/1071704429.db2.gz LTITULGRXSAWFU-UHFFFAOYSA-N 1 0 490.599 3.820 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC001313985338 1071723254 /nfs/dbraw/zinc/72/32/54/1071723254.db2.gz YYJWFRKYRLBKNP-UHFFFAOYSA-N 1 0 496.700 3.746 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC([NH+](CC)CC)CC2)c1 ZINC001313985684 1071724014 /nfs/dbraw/zinc/72/40/14/1071724014.db2.gz AGLFFSTVBRYQSM-UHFFFAOYSA-N 1 0 475.641 3.757 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(C3CCCC3)nnc2N2CC[C@H](C[NH+](CC)CC)C2)c1 ZINC001313986230 1071724101 /nfs/dbraw/zinc/72/41/01/1071724101.db2.gz HSUIQSVIDVUCME-OAQYLSRUSA-N 1 0 452.647 3.902 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001314008722 1071745207 /nfs/dbraw/zinc/74/52/07/1071745207.db2.gz OOERZTVNOZKTAR-IBGZPJMESA-N 1 0 490.624 3.955 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001314009673 1071746187 /nfs/dbraw/zinc/74/61/87/1071746187.db2.gz XGUISXFHLCCHIV-QHCPKHFHSA-N 1 0 454.619 3.789 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001314012573 1071748216 /nfs/dbraw/zinc/74/82/16/1071748216.db2.gz KRCSVGDGTRGZJN-IFMALSPDSA-N 1 0 476.666 3.841 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+](C)[C@H](C)CC)CC1 ZINC001314013381 1071750202 /nfs/dbraw/zinc/75/02/02/1071750202.db2.gz FMQPSLIUNIONOK-LJQANCHMSA-N 1 0 472.634 3.741 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C)o3)n2CCC[NH+]2CCCCC2)CC1 ZINC001314013392 1071750562 /nfs/dbraw/zinc/75/05/62/1071750562.db2.gz FGWUHSHIQDUBEV-UHFFFAOYSA-N 1 0 458.607 3.780 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001314013401 1071750683 /nfs/dbraw/zinc/75/06/83/1071750683.db2.gz FTONXMLHSCVCQO-FQEVSTJZSA-N 1 0 471.650 3.698 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001314014573 1071754071 /nfs/dbraw/zinc/75/40/71/1071754071.db2.gz TYYXTAGHFOGVSB-UHFFFAOYSA-N 1 0 495.603 3.668 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314023662 1071779706 /nfs/dbraw/zinc/77/97/06/1071779706.db2.gz ULAHFBBKIARHFF-FQEVSTJZSA-N 1 0 460.667 3.800 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314025258 1071785498 /nfs/dbraw/zinc/78/54/98/1071785498.db2.gz LKDNTRDWUCEAEV-RBUKOAKNSA-N 1 0 490.599 3.546 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001314024564 1071782885 /nfs/dbraw/zinc/78/28/85/1071782885.db2.gz FLWNOZIFDIBLNS-UHFFFAOYSA-N 1 0 490.599 3.690 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001314028473 1071795326 /nfs/dbraw/zinc/79/53/26/1071795326.db2.gz RBFMTFDFNVXULG-VXKWHMMOSA-N 1 0 484.645 3.789 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC001314030145 1071800860 /nfs/dbraw/zinc/80/08/60/1071800860.db2.gz QBSOWMHPBZAOBG-FQEVSTJZSA-N 1 0 476.666 3.540 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCC[N@H+](C)Cc2ccccc2)C1 ZINC001314032065 1071807194 /nfs/dbraw/zinc/80/71/94/1071807194.db2.gz KDXCRKDJGQAYRO-QFIPXVFZSA-N 1 0 477.613 3.577 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001314031201 1071805258 /nfs/dbraw/zinc/80/52/58/1071805258.db2.gz GEGZRFJCGBLAHI-XUZZJYLKSA-N 1 0 498.672 3.723 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314033350 1071813363 /nfs/dbraw/zinc/81/33/63/1071813363.db2.gz OBTFBZCGOSBVRX-RPWUZVMVSA-N 1 0 498.672 3.579 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001314032765 1071810727 /nfs/dbraw/zinc/81/07/27/1071810727.db2.gz NGIWMKYPPBUBBR-NRFANRHFSA-N 1 0 470.618 3.545 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001314035215 1071821577 /nfs/dbraw/zinc/82/15/77/1071821577.db2.gz WGLMNUATDVFZMH-FXAWDEMLSA-N 1 0 461.010 3.655 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001314036517 1071827426 /nfs/dbraw/zinc/82/74/26/1071827426.db2.gz YFIJFKYMTLGERJ-HXUWFJFHSA-N 1 0 491.706 3.715 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314044145 1071855226 /nfs/dbraw/zinc/85/52/26/1071855226.db2.gz RAWZQGIZTIHEBO-NFBKMPQASA-N 1 0 498.672 3.921 20 0 JHADRO CCOC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001314055195 1071880954 /nfs/dbraw/zinc/88/09/54/1071880954.db2.gz AYOAWGDXMXPVDY-NRFANRHFSA-N 1 0 485.673 3.924 20 0 JHADRO CCO[C@H](C)c1noc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001314061057 1071897609 /nfs/dbraw/zinc/89/76/09/1071897609.db2.gz CVLUTPHFWLTXQB-NMLBUPMWSA-N 1 0 475.638 3.757 20 0 JHADRO CCO[C@H](C)c1noc(CN(C)c2nnc(C3CCCC3)n2CC2(SC)CC[NH+](C)CC2)n1 ZINC001314062016 1071900250 /nfs/dbraw/zinc/90/02/50/1071900250.db2.gz ILLRPBJGQNECFP-QGZVFWFLSA-N 1 0 477.679 3.880 20 0 JHADRO CCO[C@@H](CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1)C(C)C ZINC001314062295 1071900806 /nfs/dbraw/zinc/90/08/06/1071900806.db2.gz CFTWRFYRYHLJEA-QHCPKHFHSA-N 1 0 457.667 3.832 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC001314073099 1071926211 /nfs/dbraw/zinc/92/62/11/1071926211.db2.gz BCEOABTVVZDFHY-DCLXLUIPSA-N 1 0 477.675 3.546 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001314074706 1071930336 /nfs/dbraw/zinc/93/03/36/1071930336.db2.gz MFCVKDURZLQCFV-ISJBWFOZSA-N 1 0 471.646 3.955 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@H]2CC[N@H+](CC)C2)CCOC1 ZINC001314080834 1071942559 /nfs/dbraw/zinc/94/25/59/1071942559.db2.gz GNOBKVXXTLCPOX-CVDCTZTESA-N 1 0 481.563 3.927 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001314084314 1071951328 /nfs/dbraw/zinc/95/13/28/1071951328.db2.gz WTTZTAROLKZOCI-CPJSRVTESA-N 1 0 492.064 3.721 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CCOC1 ZINC001314092378 1071969805 /nfs/dbraw/zinc/96/98/05/1071969805.db2.gz CBNBIIFZIVAQQL-XBLPNDSKSA-N 1 0 471.646 3.724 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)CC3CCCC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CCOC1 ZINC001314095909 1071975163 /nfs/dbraw/zinc/97/51/63/1071975163.db2.gz UHDBBLIXEZKDPY-RDGATRHJSA-N 1 0 459.610 3.999 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@H](c4ccccc4)C[C@H]3C)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001314102429 1071987693 /nfs/dbraw/zinc/98/76/93/1071987693.db2.gz HFOCWWSXOKDIHG-RQNQAMLKSA-N 1 0 455.647 3.900 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2csc(C)c2)CCOC1 ZINC001314109582 1072002818 /nfs/dbraw/zinc/00/28/18/1072002818.db2.gz CWCQRXLGJMCFJT-DEOSSOPVSA-N 1 0 461.676 3.905 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[C@H](c4ccc(F)cc4)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001314113457 1072009501 /nfs/dbraw/zinc/00/95/01/1072009501.db2.gz PCWOSECOZXPLAY-CPJSRVTESA-N 1 0 459.610 3.651 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[C@H](c4ccc(F)cc4)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001314113458 1072009554 /nfs/dbraw/zinc/00/95/54/1072009554.db2.gz PCWOSECOZXPLAY-NBGIEHNGSA-N 1 0 459.610 3.651 20 0 JHADRO 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CCc1nnc(N2CCC(CN(CC)C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001306133919 1068536463 /nfs/dbraw/zinc/53/64/63/1068536463.db2.gz UZJYRUJAPKMZDL-FQEVSTJZSA-N 1 0 460.667 3.798 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001306142253 1068543813 /nfs/dbraw/zinc/54/38/13/1068543813.db2.gz PNXPMKUCRAIHPR-OAQYLSRUSA-N 1 0 456.635 3.570 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001306143657 1068546009 /nfs/dbraw/zinc/54/60/09/1068546009.db2.gz IKCBXWBKCKIVCL-NRFANRHFSA-N 1 0 459.683 3.562 20 0 JHADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001306144626 1068547468 /nfs/dbraw/zinc/54/74/68/1068547468.db2.gz RRZFSNUWXGVIBM-VXKWHMMOSA-N 1 0 468.646 3.781 20 0 JHADRO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001306157037 1068555397 /nfs/dbraw/zinc/55/53/97/1068555397.db2.gz LZIDQIOAZCMGFD-LEWJYISDSA-N 1 0 453.635 3.664 20 0 JHADRO CCc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001306168896 1068564988 /nfs/dbraw/zinc/56/49/88/1068564988.db2.gz LPSMDHGWXDCIDN-QHCPKHFHSA-N 1 0 455.647 3.629 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001306179076 1068569009 /nfs/dbraw/zinc/56/90/09/1068569009.db2.gz ACXSEMHTXOZUPJ-QFIPXVFZSA-N 1 0 480.682 3.876 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001306180885 1068571687 /nfs/dbraw/zinc/57/16/87/1068571687.db2.gz QWGQLUONEFJQGY-JOCHJYFZSA-N 1 0 484.664 3.773 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001306187949 1068579808 /nfs/dbraw/zinc/57/98/08/1068579808.db2.gz PYVFOALXJDLSKA-UHFFFAOYSA-N 1 0 468.646 3.789 20 0 JHADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC001306191693 1068583088 /nfs/dbraw/zinc/58/30/88/1068583088.db2.gz PVZZLQBJTBBXNB-INIZCTEOSA-N 1 0 454.571 3.808 20 0 JHADRO 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20 0 JHADRO CC[C@H]1C[C@@H](C)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CC[NH+](CC)CC1 ZINC001306303719 1068720600 /nfs/dbraw/zinc/72/06/00/1068720600.db2.gz ZQHDVGAVTQUUJE-KAOXLYBCSA-N 1 0 460.711 3.849 20 0 JHADRO CC[C@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001306312973 1068731348 /nfs/dbraw/zinc/73/13/48/1068731348.db2.gz YMWHSASEBIMQSS-VQTJNVASSA-N 1 0 458.676 3.669 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001306317255 1068737340 /nfs/dbraw/zinc/73/73/40/1068737340.db2.gz IMRWQEPROIZRNJ-RZUBCFFCSA-N 1 0 486.636 3.784 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1Cc2cccc(Br)c2C1 ZINC001306317286 1068737772 /nfs/dbraw/zinc/73/77/72/1068737772.db2.gz JHOKNCXWAWTHHS-SFHVURJKSA-N 1 0 489.462 3.964 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001306317645 1068738844 /nfs/dbraw/zinc/73/88/44/1068738844.db2.gz AUZCARMZKUBYEF-QFIPXVFZSA-N 1 0 472.678 3.906 20 0 JHADRO CC[C@@H]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001306317819 1068739706 /nfs/dbraw/zinc/73/97/06/1068739706.db2.gz SROIAXUSMSRDDE-SJBKTWHCSA-N 1 0 471.646 3.946 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306318361 1068741382 /nfs/dbraw/zinc/74/13/82/1068741382.db2.gz NMVYGBUVYIGHSS-AZUAARDMSA-N 1 0 489.462 3.674 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCO[C@@H](C)C1 ZINC001306318609 1068742709 /nfs/dbraw/zinc/74/27/09/1068742709.db2.gz PBBOMNSKXDCMNP-SIKLNZKXSA-N 1 0 489.064 3.741 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001306318926 1068743165 /nfs/dbraw/zinc/74/31/65/1068743165.db2.gz PQNAPWLTWPWLHS-CEMLEFRQSA-N 1 0 486.636 3.927 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001306319321 1068743967 /nfs/dbraw/zinc/74/39/67/1068743967.db2.gz KDPNHOJBXDHRAC-IFMALSPDSA-N 1 0 498.672 3.672 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306319356 1068744775 /nfs/dbraw/zinc/74/47/75/1068744775.db2.gz KPVGHZUZOKZCKR-FGZHOGPDSA-N 1 0 498.672 3.531 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001306319339 1068744826 /nfs/dbraw/zinc/74/48/26/1068744826.db2.gz KJVAJIPXSULDQD-MSOLQXFVSA-N 1 0 484.041 3.625 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)CC1 ZINC001306319965 1068747498 /nfs/dbraw/zinc/74/74/98/1068747498.db2.gz XZKQYTNKXLDCQO-UPVQGACJSA-N 1 0 482.673 3.968 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCNC(=O)C1 ZINC001306320325 1068748922 /nfs/dbraw/zinc/74/89/22/1068748922.db2.gz UCRRAWPQEVOZHI-INIZCTEOSA-N 1 0 495.853 3.562 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306320713 1068749742 /nfs/dbraw/zinc/74/97/42/1068749742.db2.gz BLSOJMSXUPFGNJ-PMACEKPBSA-N 1 0 471.650 3.983 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001306321758 1068752424 /nfs/dbraw/zinc/75/24/24/1068752424.db2.gz BOQOYGIBOXJWIU-TZIWHRDSSA-N 1 0 490.718 3.976 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](OC)C1 ZINC001306322466 1068753810 /nfs/dbraw/zinc/75/38/10/1068753810.db2.gz GEIHMOMQSGECQF-LADGPHEKSA-N 1 0 455.647 3.952 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306322649 1068754686 /nfs/dbraw/zinc/75/46/86/1068754686.db2.gz HXZCIQDSDWOQJV-PWRODBHTSA-N 1 0 476.666 3.840 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001306322832 1068755063 /nfs/dbraw/zinc/75/50/63/1068755063.db2.gz IXMPIUZGJBGCDC-XMMPIXPASA-N 1 0 475.641 3.912 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001306322831 1068755175 /nfs/dbraw/zinc/75/51/75/1068755175.db2.gz IXMPIUZGJBGCDC-DEOSSOPVSA-N 1 0 475.641 3.912 20 0 JHADRO 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C[NH+]1CCN(C[C@H](NC(=O)Nc2cc(F)c(Br)c(F)c2)c2ccccc2)CC1 ZINC001310507657 1068990301 /nfs/dbraw/zinc/99/03/01/1068990301.db2.gz QBZGKNSERQEZFS-SFHVURJKSA-N 1 0 453.331 3.838 20 0 JHADRO COCCCS(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001310509884 1068991599 /nfs/dbraw/zinc/99/15/99/1068991599.db2.gz HCKTWOBZBDWGMZ-PMACEKPBSA-N 1 0 459.612 3.624 20 0 JHADRO COCCCS(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001310510972 1068992734 /nfs/dbraw/zinc/99/27/34/1068992734.db2.gz RQRFOKKBEQRFPS-TZIWHRDSSA-N 1 0 459.612 3.529 20 0 JHADRO CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CCS1 ZINC001306466642 1069005749 /nfs/dbraw/zinc/00/57/49/1069005749.db2.gz OBEJUJDNDMNYGR-GPJHCHHRSA-N 1 0 473.687 3.945 20 0 JHADRO CC(C)Oc1c(F)cc(NC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1F ZINC001310546242 1069009087 /nfs/dbraw/zinc/00/90/87/1069009087.db2.gz XBPSQRVJSQNNIW-UHFFFAOYSA-N 1 0 454.562 3.700 20 0 JHADRO 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CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@@H](C4N=NC(=S)N4C(C)C)C3)c2)CC1 ZINC001310596949 1069040721 /nfs/dbraw/zinc/04/07/21/1069040721.db2.gz NIVYNWQUZUPPCG-GOSISDBHSA-N 1 0 457.648 3.701 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001306503378 1069073438 /nfs/dbraw/zinc/07/34/38/1069073438.db2.gz ZCGGFNHBIBLFOX-NJDAHSKKSA-N 1 0 455.651 3.526 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001306505136 1069081072 /nfs/dbraw/zinc/08/10/72/1069081072.db2.gz DVWBXBNDKUISBI-OAQYLSRUSA-N 1 0 472.703 3.938 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306506296 1069085592 /nfs/dbraw/zinc/08/55/92/1069085592.db2.gz IWWLSFRPWCDJOQ-GMAHTHKFSA-N 1 0 481.689 3.660 20 0 JHADRO CC(C)[C@H](CNC(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)[NH+]1CCN(C)CC1 ZINC001310657402 1069091202 /nfs/dbraw/zinc/09/12/02/1069091202.db2.gz YOJYQVJGYRYPKF-INIZCTEOSA-N 1 0 452.468 3.743 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001306509748 1069099556 /nfs/dbraw/zinc/09/95/56/1069099556.db2.gz PGUJYPUVKJVICL-QFIPXVFZSA-N 1 0 498.672 3.578 20 0 JHADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cc(OC)cc(-n2cccn2)c1 ZINC001310686018 1069110116 /nfs/dbraw/zinc/11/01/16/1069110116.db2.gz SULDUBWWDDDEDQ-UHFFFAOYSA-N 1 0 450.543 3.675 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001306513330 1069111593 /nfs/dbraw/zinc/11/15/93/1069111593.db2.gz VMXNDPPBELPGTL-FQEVSTJZSA-N 1 0 490.656 3.750 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306514995 1069116174 /nfs/dbraw/zinc/11/61/74/1069116174.db2.gz AHVKQVWCRJDLIS-FCHUYYIVSA-N 1 0 467.662 3.593 20 0 JHADRO CC[NH+]1CCC(N2CCCN(C(=O)Nc3ccc(Cc4nc(C(C)C)no4)cc3)CC2)CC1 ZINC001310712163 1069127226 /nfs/dbraw/zinc/12/72/26/1069127226.db2.gz YCXPCQUFBYXLNN-UHFFFAOYSA-N 1 0 454.619 3.808 20 0 JHADRO 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Cc1nc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)sc1Cc1ccc(F)c(F)c1F ZINC001310738263 1069143149 /nfs/dbraw/zinc/14/31/49/1069143149.db2.gz UTJPBNPBPNNAHL-CYBMUJFWSA-N 1 0 455.550 3.607 20 0 JHADRO O=C(Nc1cc(N2CCOCC2)ccc1Br)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001310743443 1069146231 /nfs/dbraw/zinc/14/62/31/1069146231.db2.gz LFIKVNXQGAIOGA-KRWDZBQOSA-N 1 0 451.409 3.625 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001306525739 1069153290 /nfs/dbraw/zinc/15/32/90/1069153290.db2.gz CRFLPQCYGGCXKK-NZQKXSOJSA-N 1 0 492.462 3.560 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2nc(C)n(-c3ccccc3)n2)CC1 ZINC001310792240 1069165286 /nfs/dbraw/zinc/16/52/86/1069165286.db2.gz VIOAHKMSRJJGKR-QGZVFWFLSA-N 1 0 451.550 3.739 20 0 JHADRO CCC[C@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001306531384 1069172313 /nfs/dbraw/zinc/17/23/13/1069172313.db2.gz ZMOWRLYASXPAOL-IBVKSMDESA-N 1 0 489.636 3.657 20 0 JHADRO CCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001306534830 1069178790 /nfs/dbraw/zinc/17/87/90/1069178790.db2.gz HPDZTQMCWFKYPU-OFVILXPXSA-N 1 0 459.610 3.575 20 0 JHADRO CCC[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001306538245 1069184833 /nfs/dbraw/zinc/18/48/33/1069184833.db2.gz WKZADRDXCYSPID-BKMJKUGQSA-N 1 0 455.647 3.824 20 0 JHADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2cc(-c3ccc(I)cc3)[nH]n2)C1 ZINC001306539548 1069187364 /nfs/dbraw/zinc/18/73/64/1069187364.db2.gz QCBUGKWUIMEJPR-SFHVURJKSA-N 1 0 456.303 3.832 20 0 JHADRO Cc1cc(Cl)c(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1Br ZINC001310860125 1069197292 /nfs/dbraw/zinc/19/72/92/1069197292.db2.gz MKMPBPMRUVXPAO-UHFFFAOYSA-N 1 0 452.784 3.879 20 0 JHADRO Cc1c(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cccc1S(=O)(=O)N(C)C ZINC001310866612 1069199518 /nfs/dbraw/zinc/19/95/18/1069199518.db2.gz MZTPLRHXOOQSQL-JOCHJYFZSA-N 1 0 458.628 3.840 20 0 JHADRO CCC[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H]1CC ZINC001306545576 1069200923 /nfs/dbraw/zinc/20/09/23/1069200923.db2.gz CPZWHMZLSPRHBR-BKMJKUGQSA-N 1 0 454.663 3.573 20 0 JHADRO CCC[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCC(C)(C)C1 ZINC001306550998 1069214332 /nfs/dbraw/zinc/21/43/32/1069214332.db2.gz UEVYNPYENUXYBT-HHHXNRCGSA-N 1 0 468.690 3.820 20 0 JHADRO CC(C)CN1C[C@@H]2CN(C(=O)Nc3ccc(SCC[NH+]4CCCCC4)cc3)CCN2C1=O ZINC001310920560 1069221836 /nfs/dbraw/zinc/22/18/36/1069221836.db2.gz MGPVHGKMEJEMDR-NRFANRHFSA-N 1 0 459.660 3.874 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)N[C@H](C[C@H]3CCCO3)C(F)(F)F)cc2)C[C@H](C)O1 ZINC001310933960 1069226400 /nfs/dbraw/zinc/22/64/00/1069226400.db2.gz CRHKHPMSORRRDY-HRQSHJORSA-N 1 0 457.537 3.937 20 0 JHADRO CCC[C@@H](C)C(=O)NCCn1c(COc2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001306557377 1069226721 /nfs/dbraw/zinc/22/67/21/1069226721.db2.gz STERXZHGEBNCSE-HXUWFJFHSA-N 1 0 488.652 3.859 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306558889 1069229092 /nfs/dbraw/zinc/22/90/92/1069229092.db2.gz IUCSHZSFTAZHNZ-LJQANCHMSA-N 1 0 457.619 3.782 20 0 JHADRO Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)nn1C ZINC001310942017 1069229821 /nfs/dbraw/zinc/22/98/21/1069229821.db2.gz ISJGUQCTEZMVKX-HZPDHXFCSA-N 1 0 450.628 3.631 20 0 JHADRO CC(C)C[C@H](CNC(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1)[NH2+][C@H](C)c1ccccc1 ZINC001306561525 1069231026 /nfs/dbraw/zinc/23/10/26/1069231026.db2.gz SBQNSWMEKMFYMZ-WIYYLYMNSA-N 1 0 455.603 3.997 20 0 JHADRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc(I)cc1F ZINC001310976747 1069237971 /nfs/dbraw/zinc/23/79/71/1069237971.db2.gz UYALCXUKHNWHAS-UHFFFAOYSA-N 1 0 457.287 3.692 20 0 JHADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001310989823 1069241871 /nfs/dbraw/zinc/24/18/71/1069241871.db2.gz WZBIBEAZQKEIFA-SIKLNZKXSA-N 1 0 459.612 3.627 20 0 JHADRO CCCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001306598200 1069274113 /nfs/dbraw/zinc/27/41/13/1069274113.db2.gz DDTAHKOWLRGGQW-UXHICEINSA-N 1 0 488.702 3.695 20 0 JHADRO CCOC(=O)[C@H](CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)Cc1ccccc1 ZINC001311163813 1069287375 /nfs/dbraw/zinc/28/73/75/1069287375.db2.gz QHLHNYJNIHDJPJ-URXFXBBRSA-N 1 0 450.583 3.515 20 0 JHADRO CCCc1nc(C)c(Cn2c(-c3ccccc3C)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)o1 ZINC001306611026 1069287890 /nfs/dbraw/zinc/28/78/90/1069287890.db2.gz ZTNQYYLMGMGAOB-LJQANCHMSA-N 1 0 452.603 3.708 20 0 JHADRO CC(C)(C)OC(=O)N1CC=C(CNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC001311164362 1069287950 /nfs/dbraw/zinc/28/79/50/1069287950.db2.gz VOIFOBLXDIYKIT-QFIPXVFZSA-N 1 0 455.603 3.660 20 0 JHADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(C(=O)N=S(C)(C)=O)cc2)CC1 ZINC001311175243 1069289988 /nfs/dbraw/zinc/28/99/88/1069289988.db2.gz FNNRDVJPAXGXJZ-UHFFFAOYSA-N 1 0 456.612 3.930 20 0 JHADRO COC[C@@](C)(NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1)C(F)(F)F ZINC001311175388 1069290096 /nfs/dbraw/zinc/29/00/96/1069290096.db2.gz GDWJKMJEZLGMMO-QZNHQXDQSA-N 1 0 465.516 3.930 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(OCC(F)(F)F)nc2)CC[N@@H+]1CCOC ZINC001306615795 1069296691 /nfs/dbraw/zinc/29/66/91/1069296691.db2.gz CLONKLFQILQKQD-LJQANCHMSA-N 1 0 498.594 3.897 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(C)n(C)c2=O)CC[N@@H+]1CCOC ZINC001306618211 1069301253 /nfs/dbraw/zinc/30/12/53/1069301253.db2.gz DGVUNZUHKBCNRP-VWLOTQADSA-N 1 0 492.668 3.500 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001306619818 1069305196 /nfs/dbraw/zinc/30/51/96/1069305196.db2.gz BVRMZIFNPIBILQ-CEXWTWQISA-N 1 0 481.567 3.966 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001306619820 1069305403 /nfs/dbraw/zinc/30/54/03/1069305403.db2.gz BVRMZIFNPIBILQ-GBESFXJTSA-N 1 0 481.567 3.966 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(Cl)cc2OC)CC[N@@H+]1CCOC ZINC001306620465 1069306670 /nfs/dbraw/zinc/30/66/70/1069306670.db2.gz GVMDQEFHEYUJQN-OAQYLSRUSA-N 1 0 487.048 3.931 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(C(C)(C)O)cc2)CC[N@@H+]1CCOC ZINC001306620672 1069307236 /nfs/dbraw/zinc/30/72/36/1069307236.db2.gz ZSYKWTOTCBLVPG-JOCHJYFZSA-N 1 0 457.663 3.788 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)N2CC[NH+](CC)CC2)CCO1 ZINC001306620607 1069307560 /nfs/dbraw/zinc/30/75/60/1069307560.db2.gz QVTRCLPZQSCKII-URXFXBBRSA-N 1 0 454.663 3.539 20 0 JHADRO FC(F)(F)[C@@H]1N(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)CCC12CC[NH2+]CC2 ZINC001164387592 718815474 /nfs/dbraw/zinc/81/54/74/718815474.db2.gz IMTCUIZZSOTYAO-OAQYLSRUSA-N 1 0 481.588 3.523 20 0 JHADRO COc1ccc(-c2csc3nc(-c4cccnc4)nc(N4CCN5CC[NH2+]C[C@@H]5C4)c23)cc1OC ZINC001164402780 718839826 /nfs/dbraw/zinc/83/98/26/718839826.db2.gz HHFIWQWDHUGSPC-LJQANCHMSA-N 1 0 488.617 3.531 20 0 JHADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CCOCC34C[NH2+]C4)n2)CC1 ZINC001164407231 718860684 /nfs/dbraw/zinc/86/06/84/718860684.db2.gz YEAIAKVAEYRPCN-UHFFFAOYSA-N 1 0 455.653 3.830 20 0 JHADRO Brc1cccc2c([C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CCO3)ncn21 ZINC001164416300 718890381 /nfs/dbraw/zinc/89/03/81/718890381.db2.gz CXVXVMBDOAGFGC-SFHVURJKSA-N 1 0 472.387 3.544 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164615639 719008098 /nfs/dbraw/zinc/00/80/98/719008098.db2.gz JLMIEFVEGOAVKC-AVRDEDQJSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164614801 719008320 /nfs/dbraw/zinc/00/83/20/719008320.db2.gz GPKVAOGOFGFTDL-AVRDEDQJSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)CC2)CC1 ZINC001164614666 719023254 /nfs/dbraw/zinc/02/32/54/719023254.db2.gz WNNJWCAFNSVJLU-UHFFFAOYSA-N 1 0 471.980 3.519 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164614631 719025439 /nfs/dbraw/zinc/02/54/39/719025439.db2.gz VUIRWQOJDVWCAZ-UHFFFAOYSA-N 1 0 472.611 3.626 20 0 JHADRO c1ccc(C[N@@H+]2CCc3nc(N4CCCn5nnc(COc6cccnc6)c5C4)ccc3C2)cc1 ZINC001164654424 719327786 /nfs/dbraw/zinc/32/77/86/719327786.db2.gz LCZUCIJRTQVKOB-UHFFFAOYSA-N 1 0 467.577 3.616 20 0 JHADRO CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2c1C ZINC001164673672 719441983 /nfs/dbraw/zinc/44/19/83/719441983.db2.gz TXDGMLXPVZTACC-MSOLQXFVSA-N 1 0 484.647 3.988 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3nccc(Cl)n3)CC2)c2ccccc21 ZINC001164679964 719659066 /nfs/dbraw/zinc/65/90/66/719659066.db2.gz BKXWBYDJSLKVTC-QGZVFWFLSA-N 1 0 477.987 3.768 20 0 JHADRO CCc1ncnc(Cl)c1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680214 719659712 /nfs/dbraw/zinc/65/97/12/719659712.db2.gz DGQFXNAFBUIHAT-SFHVURJKSA-N 1 0 456.034 3.786 20 0 JHADRO C=C(OCC)c1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164685830 719669044 /nfs/dbraw/zinc/66/90/44/719669044.db2.gz WCVVSBHVFLPFHI-OAQYLSRUSA-N 1 0 463.626 3.577 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nncc4ccc(F)cc43)CC2)c2ccccc21 ZINC001164681226 719671433 /nfs/dbraw/zinc/67/14/33/719671433.db2.gz KSFOAMOQXHPOKK-FQEVSTJZSA-N 1 0 461.585 3.862 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccnc(-c4cccnc4)n3)CC2)c2ccccc21 ZINC001164682825 719672007 /nfs/dbraw/zinc/67/20/07/719672007.db2.gz PTUQDNSUEBZHSD-QFIPXVFZSA-N 1 0 470.621 3.632 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4cc(Cl)cnc43)CC2)c2ccccc21 ZINC001164680065 719672478 /nfs/dbraw/zinc/67/24/78/719672478.db2.gz BFHZNFSUDRPCMY-GOSISDBHSA-N 1 0 479.028 3.772 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(N4CCCCC4)n3)CC2)c2ccccc21 ZINC001164684300 719673587 /nfs/dbraw/zinc/67/35/87/719673587.db2.gz SXKFHXRWQGINJO-QFIPXVFZSA-N 1 0 476.669 3.560 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3c(F)nc(F)nc3Cl)CC2)c2ccccc21 ZINC001164681892 719676417 /nfs/dbraw/zinc/67/64/17/719676417.db2.gz OBLNAJKEKQETCV-HNNXBMFYSA-N 1 0 463.960 3.502 20 0 JHADRO C[C@@H]1CCCN(c2cc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ncn2)C1 ZINC001164680039 719680646 /nfs/dbraw/zinc/68/06/46/719680646.db2.gz AYUAAYJDESYLAT-PKTZIBPZSA-N 1 0 490.696 3.806 20 0 JHADRO C[C@H]1CCc2nnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)cc2C1 ZINC001164686629 719682078 /nfs/dbraw/zinc/68/20/78/719682078.db2.gz PDGJUGPKIHJTRF-RBBKRZOGSA-N 1 0 461.654 3.695 20 0 JHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(CO)ccc2NC(=O)C(C)(C)C)CC3)cs1 ZINC001164692216 719812124 /nfs/dbraw/zinc/81/21/24/719812124.db2.gz ONUGWPNPCYVGSZ-UHFFFAOYSA-N 1 0 457.644 3.958 20 0 JHADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695331 719891549 /nfs/dbraw/zinc/89/15/49/719891549.db2.gz OFVNOXOZAHCJBA-UHFFFAOYSA-N 1 0 471.957 3.999 20 0 JHADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164712520 720092489 /nfs/dbraw/zinc/09/24/89/720092489.db2.gz WPLQOEFJPXMXKE-HXUWFJFHSA-N 1 0 458.990 3.814 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)CC2 ZINC001164712156 720103437 /nfs/dbraw/zinc/10/34/37/720103437.db2.gz WBJBEXDTDVDQTK-SFHVURJKSA-N 1 0 480.991 3.643 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164711168 720104982 /nfs/dbraw/zinc/10/49/82/720104982.db2.gz OWYSCLXRNZMJHN-DEOSSOPVSA-N 1 0 459.594 3.958 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3ccc(C(=O)OC)cc31)CC2 ZINC001164715521 720111932 /nfs/dbraw/zinc/11/19/32/720111932.db2.gz GXPQOMKHMBRVTD-QHCPKHFHSA-N 1 0 460.578 3.924 20 0 JHADRO CCOC(=O)c1cc2cccnc2nc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164719604 720116989 /nfs/dbraw/zinc/11/69/89/720116989.db2.gz ZKSXCKHYJYQPSY-QFIPXVFZSA-N 1 0 475.593 3.709 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cc(C(=O)OC)ccc31)CC2 ZINC001164714914 720119543 /nfs/dbraw/zinc/11/95/43/720119543.db2.gz FEVPOYOMIFIUEW-HXUWFJFHSA-N 1 0 496.011 3.972 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3sc(C)nc31)CC2 ZINC001164715491 720121527 /nfs/dbraw/zinc/12/15/27/720121527.db2.gz GIFCIMXWMLZLFT-QGZVFWFLSA-N 1 0 459.019 3.951 20 0 JHADRO CCOC(=O)c1c(C)cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1C ZINC001164717493 720125052 /nfs/dbraw/zinc/12/50/52/720125052.db2.gz PNTGWWGFZJNNFP-QFIPXVFZSA-N 1 0 452.599 3.778 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(F)c(OC)cc31)CC2 ZINC001164712212 720128947 /nfs/dbraw/zinc/12/89/47/720128947.db2.gz KWSZQXBKGWZMOQ-LJQANCHMSA-N 1 0 451.546 3.680 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(/C=C/C(=O)OC)cc3cc[nH]c31)CC2 ZINC001164711126 720132954 /nfs/dbraw/zinc/13/29/54/720132954.db2.gz FPAOUPBTVGYQFY-BMOUEYTDSA-N 1 0 475.593 3.652 20 0 JHADRO 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CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3ncc(Cl)nc3c1)CCC2 ZINC001164810800 720215934 /nfs/dbraw/zinc/21/59/34/720215934.db2.gz CRRZOJHBXJJRPP-UHFFFAOYSA-N 1 0 462.932 3.635 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)CCC2 ZINC001164814527 720230093 /nfs/dbraw/zinc/23/00/93/720230093.db2.gz XAVKBIPMTPVLSM-UHFFFAOYSA-N 1 0 478.931 3.515 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(Cl)nc1Oc1cccc(F)c1)CCC2 ZINC001164816774 720245212 /nfs/dbraw/zinc/24/52/12/720245212.db2.gz MMWAICMKDBIVGT-UHFFFAOYSA-N 1 0 472.952 3.869 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)ncc2OCc2ccccc2)CC1 ZINC001164828941 720320822 /nfs/dbraw/zinc/32/08/22/720320822.db2.gz KRGUPPWHXVQDTN-SFTDATJTSA-N 1 0 470.017 3.621 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)Oc2ccc3c(Cl)ncnc3c2)CC1 ZINC001164831963 720330948 /nfs/dbraw/zinc/33/09/48/720330948.db2.gz SMRWFMLXUUEDOP-PMACEKPBSA-N 1 0 479.959 3.619 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3ccccc3nc2N2CCCCC2)CC1 ZINC001164830817 720336313 /nfs/dbraw/zinc/33/63/13/720336313.db2.gz QAYMOPKKFSADNY-ZEQRLZLVSA-N 1 0 462.642 3.532 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3[C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164821747 720345734 /nfs/dbraw/zinc/34/57/34/720345734.db2.gz BQQHHQKORZMJPC-SLSDLSHTSA-N 1 0 488.007 3.836 20 0 JHADRO COc1ccc(Cc2c(C)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2C)cc1 ZINC001164821690 720350790 /nfs/dbraw/zinc/35/07/90/720350790.db2.gz BHSXQMBTJMCJLE-UIOOFZCWSA-N 1 0 477.653 3.604 20 0 JHADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001164821405 720354105 /nfs/dbraw/zinc/35/41/05/720354105.db2.gz AGNHVKSSOATCMM-LEWJYISDSA-N 1 0 486.016 3.842 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)C2(c3ccnc(Cl)c3)CC2)CC1 ZINC001164822278 720354391 /nfs/dbraw/zinc/35/43/91/720354391.db2.gz CYRFBOGFKJJWLM-RTBURBONSA-N 1 0 452.977 3.767 20 0 JHADRO 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CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164900558 721509889 /nfs/dbraw/zinc/50/98/89/721509889.db2.gz SKZVQFSVQMAJOM-AZUAARDMSA-N 1 0 475.524 3.540 20 0 JHADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164900569 721510124 /nfs/dbraw/zinc/51/01/24/721510124.db2.gz SKZVQFSVQMAJOM-UYAOXDASSA-N 1 0 475.524 3.540 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)Oc2ccc(-c4ccnc(Cl)c4)cc2)CC3)CC1 ZINC001164797755 721515248 /nfs/dbraw/zinc/51/52/48/721515248.db2.gz MLHDHMIUZCPPLQ-UHFFFAOYSA-N 1 0 488.970 3.791 20 0 JHADRO COC(=O)c1ccc2nc(Cl)c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2c1 ZINC001164900008 721515722 /nfs/dbraw/zinc/51/57/22/721515722.db2.gz NAPGALVHAQPGNN-AEFFLSMTSA-N 1 0 456.905 3.551 20 0 JHADRO COc1ccc2c(c1)nc(N1CCn3cc(CN4CC[NH+](C)CC4)nc3C1)cc2-c1ccccc1 ZINC001164798976 721518938 /nfs/dbraw/zinc/51/89/38/721518938.db2.gz VNECXUDXXKINLD-UHFFFAOYSA-N 1 0 468.605 3.875 20 0 JHADRO 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Fc1ccc(-c2nn(-c3ncnc4c3CN(Cc3ccccc3)CC4)c3c2CC[NH2+]CC3)cc1 ZINC001164804072 721597197 /nfs/dbraw/zinc/59/71/97/721597197.db2.gz XYZSOUSNTMFCJA-UHFFFAOYSA-N 1 0 454.553 3.715 20 0 JHADRO FC1(F)CCN(c2nc3ccsc3c(N3CCOCC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904271 721691798 /nfs/dbraw/zinc/69/17/98/721691798.db2.gz FBMWRVQZSZUMPY-QHCPKHFHSA-N 1 0 486.592 3.661 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH]1 ZINC001164907744 721712779 /nfs/dbraw/zinc/71/27/79/721712779.db2.gz SZTLZLOGNRTZQP-OAQYLSRUSA-N 1 0 476.915 3.531 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1C ZINC001164908669 721722422 /nfs/dbraw/zinc/72/24/22/721722422.db2.gz YLAQUBKAMUJJPS-QFIPXVFZSA-N 1 0 490.942 3.541 20 0 JHADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164909742 721725085 /nfs/dbraw/zinc/72/50/85/721725085.db2.gz DIJAFINYEQUKMF-CVDCTZTESA-N 1 0 493.624 3.681 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4nc3N3CCOCC3)C[C@H]21 ZINC001165019843 721811055 /nfs/dbraw/zinc/81/10/55/721811055.db2.gz BZUMTTBLRFRZQK-QFZWGZQFSA-N 1 0 458.610 3.598 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4nc3N3CCOCC3)C[C@@H]21 ZINC001165019846 721811280 /nfs/dbraw/zinc/81/12/80/721811280.db2.gz BZUMTTBLRFRZQK-UWDQQESISA-N 1 0 458.610 3.598 20 0 JHADRO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165026720 721825165 /nfs/dbraw/zinc/82/51/65/721825165.db2.gz PUQMSEDHZFTQIP-IGKWTDBASA-N 1 0 471.671 3.680 20 0 JHADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@@H]5COC[C@]5(COCc5ccccn5)C4)ccc3C2)cc1 ZINC001164922722 721838345 /nfs/dbraw/zinc/83/83/45/721838345.db2.gz IBZGSLYXJJGFEL-YWEHKCAJSA-N 1 0 456.590 3.705 20 0 JHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c(Cl)ncnc32)CC1 ZINC001165029795 721844694 /nfs/dbraw/zinc/84/46/94/721844694.db2.gz DKNHSXFGSWNSIL-UHFFFAOYSA-N 1 0 463.369 3.845 20 0 JHADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165030867 721844992 /nfs/dbraw/zinc/84/49/92/721844992.db2.gz KZMQMHZCAFPGPL-OAHLLOKOSA-N 1 0 462.978 3.525 20 0 JHADRO CCOC(=O)c1cnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)cc1C(=O)OCC ZINC001165030984 721844995 /nfs/dbraw/zinc/84/49/95/721844995.db2.gz NOQGUWDLRFCXHA-UHFFFAOYSA-N 1 0 485.581 3.553 20 0 JHADRO Fc1cnc(N2CCOC[C@]3(CCCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C3)C2)nc1 ZINC001164922000 721845995 /nfs/dbraw/zinc/84/59/95/721845995.db2.gz PLPLHXZSQINRKB-NDEPHWFRSA-N 1 0 488.611 3.692 20 0 JHADRO COc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c(Cl)nn2)cc1 ZINC001164933406 721890111 /nfs/dbraw/zinc/89/01/11/721890111.db2.gz LOEKXNJZWXDQMV-VQTJNVASSA-N 1 0 451.949 3.565 20 0 JHADRO C[Si](C)(C)CCOCn1ccc2c1nc(Cl)nc2N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165037054 721913519 /nfs/dbraw/zinc/91/35/19/721913519.db2.gz FWVZFBQJVCPPJE-QGZVFWFLSA-N 1 0 452.075 3.698 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4nc(Cl)cc(N(C)C)n4)CC3)C2)cc1 ZINC001164939792 721922802 /nfs/dbraw/zinc/92/28/02/721922802.db2.gz NHAJYGPKRABWPU-UHFFFAOYSA-N 1 0 465.976 3.921 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc5ccccc5nc4N4CCOCC4)CC3)C2)cc1 ZINC001164939731 721926046 /nfs/dbraw/zinc/92/60/46/721926046.db2.gz MBTGQVLXLFXLAC-UHFFFAOYSA-N 1 0 473.621 3.646 20 0 JHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952954 722016464 /nfs/dbraw/zinc/01/64/64/722016464.db2.gz PNNOWWIQCXIHNG-UHFFFAOYSA-N 1 0 450.917 3.954 20 0 JHADRO CC[C@@H]1C(=O)Nc2cnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2N1C1CCCC1 ZINC001164952541 722017539 /nfs/dbraw/zinc/01/75/39/722017539.db2.gz NHOZKCNYBAIXAY-HSZRJFAPSA-N 1 0 475.641 3.844 20 0 JHADRO CCOC(=O)c1sc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1C ZINC001164961181 722051994 /nfs/dbraw/zinc/05/19/94/722051994.db2.gz UMKHGTYBTRYEGF-UHFFFAOYSA-N 1 0 481.622 3.690 20 0 JHADRO COc1cc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc(Cl)n1 ZINC001164958094 722053036 /nfs/dbraw/zinc/05/30/36/722053036.db2.gz CAZIYRCRVHSLAZ-UHFFFAOYSA-N 1 0 452.933 3.803 20 0 JHADRO Fc1cccc(F)c1-c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164960692 722060761 /nfs/dbraw/zinc/06/07/61/722060761.db2.gz HUIGIRYLDNVHMH-UHFFFAOYSA-N 1 0 451.521 3.936 20 0 JHADRO O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164963749 722066022 /nfs/dbraw/zinc/06/60/22/722066022.db2.gz CQMLYYPWBPOZBK-MSOLQXFVSA-N 1 0 465.957 3.607 20 0 JHADRO CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]2c2ccccc21 ZINC001164979450 722090893 /nfs/dbraw/zinc/09/08/93/722090893.db2.gz ZNYJTARRDQACAS-UZLBHIALSA-N 1 0 494.995 3.656 20 0 JHADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978414 722127681 /nfs/dbraw/zinc/12/76/81/722127681.db2.gz ONMRPXOCXNMTOS-WIYYLYMNSA-N 1 0 458.990 3.813 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978887 722138038 /nfs/dbraw/zinc/13/80/38/722138038.db2.gz KJRYGQZOSDDLKV-UXHICEINSA-N 1 0 486.954 3.859 20 0 JHADRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164974050 722152225 /nfs/dbraw/zinc/15/22/25/722152225.db2.gz OFBIINIEXPORLD-SFTDATJTSA-N 1 0 450.974 3.623 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)CCC2 ZINC001165004859 722256482 /nfs/dbraw/zinc/25/64/82/722256482.db2.gz WDIXXGNGBLNPDI-UHFFFAOYSA-N 1 0 489.649 3.927 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)c2nc(C)cs2)CC[N@@H+]1CCOC ZINC001306622564 1069312754 /nfs/dbraw/zinc/31/27/54/1069312754.db2.gz ZZYKRJQFGFUHLB-MJGOQNOKSA-N 1 0 457.648 3.779 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(F)c(F)c2)CC[N@@H+]1CCOC ZINC001306623632 1069315539 /nfs/dbraw/zinc/31/55/39/1069315539.db2.gz FLOBGBSEAWUGOS-SIKLNZKXSA-N 1 0 463.573 3.783 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(F)cn2)CC[N@@H+]1CCOC ZINC001306624059 1069316603 /nfs/dbraw/zinc/31/66/03/1069316603.db2.gz XLTNIRIZGZZZJH-HXUWFJFHSA-N 1 0 473.984 3.513 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC(F)(F)c2ccccc2)CC[N@@H+]1CCOC ZINC001306624130 1069317559 /nfs/dbraw/zinc/31/75/59/1069317559.db2.gz IFHXLJQFDOPPGC-PZJWPPBQSA-N 1 0 463.573 3.511 20 0 JHADRO COCC(=O)N1CCCc2ccc(NC(=O)N[C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC001311292814 1069318367 /nfs/dbraw/zinc/31/83/67/1069318367.db2.gz UTGQHLXKSOMNNM-UGKGYDQZSA-N 1 0 450.583 3.644 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CC2)CC[N@@H+]1CCOC ZINC001306624890 1069319052 /nfs/dbraw/zinc/31/90/52/1069319052.db2.gz MVXVSCWNZLCASL-FCHUYYIVSA-N 1 0 490.693 3.740 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC[N@@H+]1CCOC ZINC001306626142 1069320786 /nfs/dbraw/zinc/32/07/86/1069320786.db2.gz CVIKFBHNMUWAOX-RTWAWAEBSA-N 1 0 490.693 3.567 20 0 JHADRO Cc1cccc(NC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1I ZINC001311334739 1069328639 /nfs/dbraw/zinc/32/86/39/1069328639.db2.gz CRNXGCCVRRDRKJ-HNNXBMFYSA-N 1 0 457.356 3.707 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC3CC3)n2Cc2ccccc2Br)CC[N@@H+]1CCOC ZINC001306630343 1069330008 /nfs/dbraw/zinc/33/00/08/1069330008.db2.gz UXRJZWHFNCDIKR-HXUWFJFHSA-N 1 0 476.463 3.979 20 0 JHADRO O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001311343872 1069331351 /nfs/dbraw/zinc/33/13/51/1069331351.db2.gz LOHJLGAVMHRCBE-XLIONFOSSA-N 1 0 453.505 3.976 20 0 JHADRO COc1ccc([C@H](CNC(=O)N2CCC(Oc3ncc(C)cn3)CC2)[NH+]2CCCCC2)cc1 ZINC001311350793 1069337788 /nfs/dbraw/zinc/33/77/88/1069337788.db2.gz VGMFYXVDPJZOPX-QHCPKHFHSA-N 1 0 453.587 3.574 20 0 JHADRO C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1=O ZINC001311352920 1069338557 /nfs/dbraw/zinc/33/85/57/1069338557.db2.gz DDZXNROTWIYNDZ-NTKDMRAZSA-N 1 0 452.574 3.973 20 0 JHADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC001311356520 1069340479 /nfs/dbraw/zinc/34/04/79/1069340479.db2.gz VBFCZYNBDVVXKS-RBBKRZOGSA-N 1 0 460.619 3.558 20 0 JHADRO Cc1ccc(C(=O)NCCNC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc1F ZINC001311357964 1069342081 /nfs/dbraw/zinc/34/20/81/1069342081.db2.gz CHUOJNQHWASANR-OALUTQOASA-N 1 0 454.590 3.841 20 0 JHADRO COc1ccccc1C[C@](C)(CO)NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001311358751 1069342617 /nfs/dbraw/zinc/34/26/17/1069342617.db2.gz MXQKNRLQOAMRQA-LGVUCKNBSA-N 1 0 453.627 3.966 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)C1 ZINC001311359676 1069344122 /nfs/dbraw/zinc/34/41/22/1069344122.db2.gz PXRLDLYDOGHDMG-OTPAQWSUSA-N 1 0 450.627 3.663 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC001311360650 1069344456 /nfs/dbraw/zinc/34/44/56/1069344456.db2.gz USBDVJONHPIYDS-KNKQGSTJSA-N 1 0 455.624 3.535 20 0 JHADRO CCCCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001306636838 1069345794 /nfs/dbraw/zinc/34/57/94/1069345794.db2.gz BXKYMYAZOOCLLO-FYYLOGMGSA-N 1 0 496.704 3.768 20 0 JHADRO CC(C)(C)OC(=O)N1CC[NH+](CCCCCNC(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC001311375056 1069349935 /nfs/dbraw/zinc/34/99/35/1069349935.db2.gz LQTRPSQTGGMDQI-UHFFFAOYSA-N 1 0 457.619 3.733 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NC[C@](C)(O)c3ccccc3Cl)CC2)c1 ZINC001311380693 1069353888 /nfs/dbraw/zinc/35/38/88/1069353888.db2.gz NEHWUJFFEOXHHO-VWLOTQADSA-N 1 0 459.034 3.758 20 0 JHADRO CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001306642975 1069354024 /nfs/dbraw/zinc/35/40/24/1069354024.db2.gz ZOLFIHRSWTWWKL-HSZRJFAPSA-N 1 0 452.647 3.755 20 0 JHADRO CC1(C)C[C@H](O)CCN(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001311378127 1069351597 /nfs/dbraw/zinc/35/15/97/1069351597.db2.gz HBMBTXPCQBPOIP-RUZDIDTESA-N 1 0 450.627 3.701 20 0 JHADRO CCCC(=O)Nc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC001311378242 1069351847 /nfs/dbraw/zinc/35/18/47/1069351847.db2.gz ZBKLZOMFRYIFTR-RPWUZVMVSA-N 1 0 457.663 3.904 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001306645585 1069356546 /nfs/dbraw/zinc/35/65/46/1069356546.db2.gz KUNUVLNULCUFLF-VQTJNVASSA-N 1 0 462.038 3.961 20 0 JHADRO CC(C)[C@H](CNC(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC001311392105 1069358920 /nfs/dbraw/zinc/35/89/20/1069358920.db2.gz JVKWNKFCMOCHAJ-RBBKRZOGSA-N 1 0 454.453 3.798 20 0 JHADRO COC(=O)c1sc2c(c1Br)CN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C2 ZINC001311394466 1069359750 /nfs/dbraw/zinc/35/97/50/1069359750.db2.gz GKMIZXNOJLXPTI-CQSZACIVSA-N 1 0 458.422 3.833 20 0 JHADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C)CN1CCOCC1)[NH+](C)C ZINC001311408469 1069366748 /nfs/dbraw/zinc/36/67/48/1069366748.db2.gz UHWXGQSGMLEQPI-DYESRHJHSA-N 1 0 459.462 3.812 20 0 JHADRO C[C@H](O)C[C@@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001311425362 1069374173 /nfs/dbraw/zinc/37/41/73/1069374173.db2.gz VTEBFKFOANVYIZ-RXVVDRJESA-N 1 0 456.553 3.553 20 0 JHADRO CCCCCn1cc(Cn2c(Cc3ccncc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)c(C)n1 ZINC001306657345 1069371040 /nfs/dbraw/zinc/37/10/40/1069371040.db2.gz IZYUHZXEJYUCJS-HXUWFJFHSA-N 1 0 450.635 3.538 20 0 JHADRO CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC001311430225 1069376330 /nfs/dbraw/zinc/37/63/30/1069376330.db2.gz JCKOLAUSFCMQOX-HSZRJFAPSA-N 1 0 451.055 3.694 20 0 JHADRO CCN1CC[NH+](CCCCNC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC001311431246 1069376861 /nfs/dbraw/zinc/37/68/61/1069376861.db2.gz BWENVDWBCITKKM-FQEVSTJZSA-N 1 0 455.416 3.756 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC001311431210 1069376968 /nfs/dbraw/zinc/37/69/68/1069376968.db2.gz BNYUDERITZTVIC-OYRHEFFESA-N 1 0 451.055 3.804 20 0 JHADRO C[NH+](C)C1(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCCCCC1 ZINC001311436217 1069378819 /nfs/dbraw/zinc/37/88/19/1069378819.db2.gz KYFCJOLGDZNVNH-SFHVURJKSA-N 1 0 451.409 3.508 20 0 JHADRO C[NH+](C)Cc1cccc(CNC(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c1 ZINC001311445597 1069382968 /nfs/dbraw/zinc/38/29/68/1069382968.db2.gz BTINSJXVAGIELO-QZTJIDSGSA-N 1 0 458.525 3.593 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001311447766 1069383531 /nfs/dbraw/zinc/38/35/31/1069383531.db2.gz LCIDPDPEOPFBMB-DXBBTUNJSA-N 1 0 460.594 3.845 20 0 JHADRO CC1(C)CC[C@H](CNC(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)O1 ZINC001311451447 1069384683 /nfs/dbraw/zinc/38/46/83/1069384683.db2.gz FHIMQUZJACDONS-HXUWFJFHSA-N 1 0 456.553 3.864 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001306663946 1069386501 /nfs/dbraw/zinc/38/65/01/1069386501.db2.gz MQKYAMUIUHRYCC-QFIPXVFZSA-N 1 0 467.662 3.608 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306664265 1069388333 /nfs/dbraw/zinc/38/83/33/1069388333.db2.gz GSMHEEMMOLVWFL-WPFOTENUSA-N 1 0 488.721 3.767 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2nccc(C(C)C)n2)CC1)c1cccc(OC)c1 ZINC001311468540 1069391968 /nfs/dbraw/zinc/39/19/68/1069391968.db2.gz AEOIOZVZDRXBGE-HSZRJFAPSA-N 1 0 454.619 3.523 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(OC)c1 ZINC001311470599 1069393756 /nfs/dbraw/zinc/39/37/56/1069393756.db2.gz REYLDUBFNCDHQD-YADHBBJMSA-N 1 0 458.990 3.836 20 0 JHADRO CCCCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001306669561 1069397058 /nfs/dbraw/zinc/39/70/58/1069397058.db2.gz KTAAFMWKUZTQFL-IBGZPJMESA-N 1 0 456.816 3.664 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC12CCC2 ZINC001311480328 1069397605 /nfs/dbraw/zinc/39/76/05/1069397605.db2.gz KQDIPMWQAFELST-FQEVSTJZSA-N 1 0 457.619 3.667 20 0 JHADRO C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311482738 1069398715 /nfs/dbraw/zinc/39/87/15/1069398715.db2.gz OAUQKZSTXMDKQQ-HXUWFJFHSA-N 1 0 451.615 3.715 20 0 JHADRO CCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCC(C)CC1 ZINC001306675950 1069400391 /nfs/dbraw/zinc/40/03/91/1069400391.db2.gz ZRSJHGRETLWWCA-FQEVSTJZSA-N 1 0 464.655 3.555 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc(CC)n2)CC1 ZINC001306678747 1069403739 /nfs/dbraw/zinc/40/37/39/1069403739.db2.gz DNLRCNFSKAOGLJ-UHFFFAOYSA-N 1 0 473.691 3.530 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NC2CCCCC2)CC1 ZINC001306677863 1069401837 /nfs/dbraw/zinc/40/18/37/1069401837.db2.gz CMYWSDVHQBVFLR-HSZRJFAPSA-N 1 0 474.694 3.917 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001306678622 1069403835 /nfs/dbraw/zinc/40/38/35/1069403835.db2.gz MPFOWZPGCWDBOX-FQEVSTJZSA-N 1 0 496.626 3.511 20 0 JHADRO CN(CCOc1ccccc1C(C)(C)C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001311493567 1069404178 /nfs/dbraw/zinc/40/41/78/1069404178.db2.gz BUVWRKWIWGIVRU-UHFFFAOYSA-N 1 0 452.643 3.952 20 0 JHADRO C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccccc1NS(C)(=O)=O ZINC001311493018 1069404266 /nfs/dbraw/zinc/40/42/66/1069404266.db2.gz IDRMWICWLBOKRP-RTBURBONSA-N 1 0 458.628 3.993 20 0 JHADRO C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C[C@@H]1NC(=O)C(F)(F)F ZINC001311494769 1069404908 /nfs/dbraw/zinc/40/49/08/1069404908.db2.gz HKJCMBMHJBCFDZ-UWVAXJGDSA-N 1 0 454.537 3.660 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H](C)CC)nnc1N1CCN(c2ncnc3ccsc32)CC1 ZINC001306681530 1069410469 /nfs/dbraw/zinc/41/04/69/1069410469.db2.gz MVPPVWYKZSMWDU-GOSISDBHSA-N 1 0 456.664 3.855 20 0 JHADRO C[C@@H]1CN(c2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cn2)CCO1 ZINC001311504567 1069412916 /nfs/dbraw/zinc/41/29/16/1069412916.db2.gz UQXKJWJESAFJCA-IMSXRSKXSA-N 1 0 451.615 3.501 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(CCC)C(=O)C1 ZINC001306682167 1069412508 /nfs/dbraw/zinc/41/25/08/1069412508.db2.gz BHYDJASNBQOJKK-UHFFFAOYSA-N 1 0 463.630 3.674 20 0 JHADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)cc2)C1 ZINC001311499530 1069408588 /nfs/dbraw/zinc/40/85/88/1069408588.db2.gz YUICGUHRNNPANY-HTAPYJJXSA-N 1 0 456.537 3.801 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 ZINC001306681213 1069409074 /nfs/dbraw/zinc/40/90/74/1069409074.db2.gz TYZVQMDEQGFQJX-JOCHJYFZSA-N 1 0 471.694 3.925 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001306680974 1069409262 /nfs/dbraw/zinc/40/92/62/1069409262.db2.gz WRGDZXKVXALABG-SIBVEZHUSA-N 1 0 491.627 3.635 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001306683512 1069417285 /nfs/dbraw/zinc/41/72/85/1069417285.db2.gz WDAXMHNVWUOGJE-PMACEKPBSA-N 1 0 489.462 3.687 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001306682770 1069414572 /nfs/dbraw/zinc/41/45/72/1069414572.db2.gz NMVPJVOZJDLYTE-QFIPXVFZSA-N 1 0 468.429 3.980 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001306682686 1069414598 /nfs/dbraw/zinc/41/45/98/1069414598.db2.gz LWWVQNUYCLMTFO-DVECYGJZSA-N 1 0 459.660 3.849 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001306682688 1069414717 /nfs/dbraw/zinc/41/47/17/1069414717.db2.gz LXQRVJASPZJWHC-OAQYLSRUSA-N 1 0 461.676 3.598 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCSC2(CCOCC2)C1 ZINC001306682994 1069415915 /nfs/dbraw/zinc/41/59/15/1069415915.db2.gz SPZUQWCNPQQFDJ-UHFFFAOYSA-N 1 0 489.686 3.797 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001306684178 1069418587 /nfs/dbraw/zinc/41/85/87/1069418587.db2.gz HSBMOFUBLGOLMG-HSZRJFAPSA-N 1 0 474.694 3.917 20 0 JHADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001311518039 1069419355 /nfs/dbraw/zinc/41/93/55/1069419355.db2.gz GFYRGFSXEWTPQZ-ROUUACIJSA-N 1 0 454.537 3.731 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001306686465 1069422725 /nfs/dbraw/zinc/42/27/25/1069422725.db2.gz VQUBQJIBLPTSNJ-LEWJYISDSA-N 1 0 458.626 3.758 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001306684928 1069419907 /nfs/dbraw/zinc/41/99/07/1069419907.db2.gz TYUARYBFLUPXQW-FQEVSTJZSA-N 1 0 471.650 3.826 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1cc(C)cs1 ZINC001306685237 1069420822 /nfs/dbraw/zinc/42/08/22/1069420822.db2.gz YNZWQNXNJOJLPG-UHFFFAOYSA-N 1 0 479.654 3.930 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001306687189 1069423985 /nfs/dbraw/zinc/42/39/85/1069423985.db2.gz HDTLAZWEGZUPIA-UHFFFAOYSA-N 1 0 468.049 3.976 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001306688265 1069425229 /nfs/dbraw/zinc/42/52/29/1069425229.db2.gz NAYRSCPINFTDSJ-QHCPKHFHSA-N 1 0 470.568 3.852 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001306689457 1069426596 /nfs/dbraw/zinc/42/65/96/1069426596.db2.gz VYLVWXRXUULUMK-VMODYCNZSA-N 1 0 485.673 3.979 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCOC2(CCOCC2)C1 ZINC001306689445 1069426682 /nfs/dbraw/zinc/42/66/82/1069426682.db2.gz VVARDCQHDGJRQL-UHFFFAOYSA-N 1 0 471.646 3.592 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306689678 1069427224 /nfs/dbraw/zinc/42/72/24/1069427224.db2.gz XYVWQLWLRZJRHJ-UHFFFAOYSA-N 1 0 477.579 3.766 20 0 JHADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc(Br)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001311536857 1069428958 /nfs/dbraw/zinc/42/89/58/1069428958.db2.gz XSIWCGOGTBNOPA-CHWSQXEVSA-N 1 0 452.315 3.766 20 0 JHADRO C[C@H]1C[NH+](CCCNC(=O)NCc2ccc(Br)cc2C(F)(F)F)C[C@H](C)O1 ZINC001311536860 1069429140 /nfs/dbraw/zinc/42/91/40/1069429140.db2.gz XSIWCGOGTBNOPA-STQMWFEESA-N 1 0 452.315 3.766 20 0 JHADRO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+](C)C1CCCC1 ZINC001306692386 1069429585 /nfs/dbraw/zinc/42/95/85/1069429585.db2.gz ICDQHTMZGOKUKV-UHFFFAOYSA-N 1 0 451.619 3.693 20 0 JHADRO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001306692629 1069429830 /nfs/dbraw/zinc/42/98/30/1069429830.db2.gz OITOVKNCWXRMML-LJQANCHMSA-N 1 0 451.619 3.550 20 0 JHADRO NC(=O)[C@@H](F)C1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001311538425 1069430290 /nfs/dbraw/zinc/43/02/90/1069430290.db2.gz KXOQIQLFKJFPPZ-DEOSSOPVSA-N 1 0 452.574 3.694 20 0 JHADRO CCCCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C(C)C ZINC001306694584 1069431494 /nfs/dbraw/zinc/43/14/94/1069431494.db2.gz JBNQOJZPSYPXJB-LJQANCHMSA-N 1 0 452.644 3.553 20 0 JHADRO CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001306701570 1069436696 /nfs/dbraw/zinc/43/66/96/1069436696.db2.gz SIVQEBMUJUTLIG-WIYYLYMNSA-N 1 0 475.037 3.614 20 0 JHADRO CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1ccccc1 ZINC001311567236 1069440773 /nfs/dbraw/zinc/44/07/73/1069440773.db2.gz GEIXVJTXUXMHQU-FTJBHMTQSA-N 1 0 458.606 3.733 20 0 JHADRO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccc(CN3CCNC3=O)cc2)c2cccs2)CC1 ZINC001311568039 1069441412 /nfs/dbraw/zinc/44/14/12/1069441412.db2.gz AESCBGRGOGHUTN-NRFANRHFSA-N 1 0 455.628 3.546 20 0 JHADRO CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)CC1 ZINC001311576462 1069446368 /nfs/dbraw/zinc/44/63/68/1069446368.db2.gz BGNXRWCKTKBCSJ-NBGIEHNGSA-N 1 0 458.603 3.673 20 0 JHADRO CN(C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001311578168 1069446927 /nfs/dbraw/zinc/44/69/27/1069446927.db2.gz LISGRKHJTNBEMV-RSXGOPAZSA-N 1 0 456.590 3.834 20 0 JHADRO CCc1ccc([C@@H](CNC(=O)NCc2cc(OC)c(O)cc2Br)[NH+](C)C)cc1 ZINC001311571051 1069442774 /nfs/dbraw/zinc/44/27/74/1069442774.db2.gz ISVHOODQXUQTLO-GOSISDBHSA-N 1 0 450.377 3.828 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)Cc1ccccc1 ZINC001311571477 1069443347 /nfs/dbraw/zinc/44/33/47/1069443347.db2.gz LNCCYALURHMPOQ-TZIWHRDSSA-N 1 0 451.489 3.841 20 0 JHADRO CCCN(C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001311571844 1069443426 /nfs/dbraw/zinc/44/34/26/1069443426.db2.gz NAVHTRRBKKXWSB-JWQCQUIFSA-N 1 0 456.675 3.964 20 0 JHADRO CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(OC(C)C)CC1 ZINC001306712942 1069445071 /nfs/dbraw/zinc/44/50/71/1069445071.db2.gz BRDURQNJMBADQP-UHFFFAOYSA-N 1 0 454.663 3.837 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 ZINC001306721492 1069457896 /nfs/dbraw/zinc/45/78/96/1069457896.db2.gz AGBFXHTUTRBXBA-QFIPXVFZSA-N 1 0 459.683 3.782 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 ZINC001306721574 1069458420 /nfs/dbraw/zinc/45/84/20/1069458420.db2.gz BTVPBJIMXPBKCZ-YCAMKHIRSA-N 1 0 460.711 3.993 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001306721829 1069459054 /nfs/dbraw/zinc/45/90/54/1069459054.db2.gz FMKSLOJXAKFGAH-VQTJNVASSA-N 1 0 495.093 3.662 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)CC1 ZINC001306722223 1069459700 /nfs/dbraw/zinc/45/97/00/1069459700.db2.gz IYJDZEZXTAJNQL-IFMALSPDSA-N 1 0 486.636 3.880 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001306722747 1069461599 /nfs/dbraw/zinc/46/15/99/1069461599.db2.gz NQOOIQXUTLAMTE-JOCHJYFZSA-N 1 0 489.064 3.548 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001306722412 1069460302 /nfs/dbraw/zinc/46/03/02/1069460302.db2.gz KYDZHKCYOAGISK-FUHWJXTLSA-N 1 0 494.482 3.509 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001306722675 1069461016 /nfs/dbraw/zinc/46/10/16/1069461016.db2.gz KBWZEYAOGZAGPY-FCHUYYIVSA-N 1 0 452.647 4.000 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001306722946 1069462268 /nfs/dbraw/zinc/46/22/68/1069462268.db2.gz PAYKEBQHWMKSPZ-XZOQPEGZSA-N 1 0 486.636 3.788 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001306723508 1069463596 /nfs/dbraw/zinc/46/35/96/1069463596.db2.gz SRXINPPTCOBOMW-SLFFLAALSA-N 1 0 465.664 3.759 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001306724037 1069464756 /nfs/dbraw/zinc/46/47/56/1069464756.db2.gz XKBQIQCEZYCSKT-KRWDZBQOSA-N 1 0 454.541 3.821 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001306725029 1069466403 /nfs/dbraw/zinc/46/64/03/1069466403.db2.gz BFFPVIXTHRPCAL-NJDAHSKKSA-N 1 0 465.708 3.707 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)NCCC)C1 ZINC001306722841 1069461852 /nfs/dbraw/zinc/46/18/52/1069461852.db2.gz LRNZVOUXYKSFNN-LEWJYISDSA-N 1 0 455.651 3.670 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306725709 1069467148 /nfs/dbraw/zinc/46/71/48/1069467148.db2.gz GUDNFUDNOSXHRB-BHIFYINESA-N 1 0 490.693 3.930 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001306726227 1069468895 /nfs/dbraw/zinc/46/88/95/1069468895.db2.gz KOJKZLLSJRLKCA-DENIHFKCSA-N 1 0 473.065 3.844 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(N)=O)CC1 ZINC001306726215 1069468919 /nfs/dbraw/zinc/46/89/19/1069468919.db2.gz KHMLEVSVPHCVMJ-FQEVSTJZSA-N 1 0 488.627 3.894 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCS(=O)CC1 ZINC001306727031 1069471187 /nfs/dbraw/zinc/47/11/87/1069471187.db2.gz BREQMALGZPISGM-JOCHJYFZSA-N 1 0 473.687 3.697 20 0 JHADRO COc1cc([C@@H](C)NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)ccc1OCc1ccccc1 ZINC001311622826 1069473335 /nfs/dbraw/zinc/47/33/35/1069473335.db2.gz PNGAONMFPAOKBR-HXUWFJFHSA-N 1 0 455.599 3.870 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001306728101 1069473775 /nfs/dbraw/zinc/47/37/75/1069473775.db2.gz SLFXIGZHBIKGGD-VQTJNVASSA-N 1 0 466.552 3.686 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306727938 1069473796 /nfs/dbraw/zinc/47/37/96/1069473796.db2.gz SHRSJLXREVJMLM-QHAWAJNXSA-N 1 0 476.666 3.540 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001306727966 1069473831 /nfs/dbraw/zinc/47/38/31/1069473831.db2.gz SJUWDMRTNDTGSR-ZEQRLZLVSA-N 1 0 481.689 3.660 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(CC)C(=O)C1 ZINC001306728694 1069476124 /nfs/dbraw/zinc/47/61/24/1069476124.db2.gz VUKGGMQWTUFPFI-FQEVSTJZSA-N 1 0 488.627 3.860 20 0 JHADRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001311626441 1069476142 /nfs/dbraw/zinc/47/61/42/1069476142.db2.gz VPPNMSILIZILQW-CPJSRVTESA-N 1 0 452.599 3.671 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C2(CCC2)CC1 ZINC001311626071 1069476069 /nfs/dbraw/zinc/47/60/69/1069476069.db2.gz SCMGUTGYJCJOFO-UHFFFAOYSA-N 1 0 457.619 3.621 20 0 JHADRO C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001311632641 1069479900 /nfs/dbraw/zinc/47/99/00/1069479900.db2.gz JZYDIMVEMMZILR-GGAORHGYSA-N 1 0 458.647 3.598 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001306730083 1069480160 /nfs/dbraw/zinc/48/01/60/1069480160.db2.gz MCPLQQQQDNIRGU-DEOSSOPVSA-N 1 0 482.673 3.925 20 0 JHADRO Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)c2)c1 ZINC001311626838 1069476692 /nfs/dbraw/zinc/47/66/92/1069476692.db2.gz SRKRFCWEQZTZKN-IBGZPJMESA-N 1 0 453.587 3.626 20 0 JHADRO Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)c2)c1 ZINC001311626839 1069476700 /nfs/dbraw/zinc/47/67/00/1069476700.db2.gz SRKRFCWEQZTZKN-LJQANCHMSA-N 1 0 453.587 3.626 20 0 JHADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 ZINC001311637977 1069483503 /nfs/dbraw/zinc/48/35/03/1069483503.db2.gz VDNSEWVKFFUQFR-IZZNHLLZSA-N 1 0 450.627 3.847 20 0 JHADRO C[C@H](CNC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1)C[NH+]1CCCCC1 ZINC001311638112 1069483933 /nfs/dbraw/zinc/48/39/33/1069483933.db2.gz GKIZZGFANXMPAX-RTBURBONSA-N 1 0 451.453 3.959 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001306731052 1069484492 /nfs/dbraw/zinc/48/44/92/1069484492.db2.gz OJVMHWNEASWXOD-KGWSWXIGSA-N 1 0 465.708 3.987 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@H](C)C1 ZINC001306731112 1069484948 /nfs/dbraw/zinc/48/49/48/1069484948.db2.gz PIDHWGDQBZXAPV-UXHICEINSA-N 1 0 474.675 3.539 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCCC2)C1 ZINC001306731724 1069485444 /nfs/dbraw/zinc/48/54/44/1069485444.db2.gz FNSMYSRIHIKSQX-SSGKUCQKSA-N 1 0 488.721 3.814 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001306731572 1069486404 /nfs/dbraw/zinc/48/64/04/1069486404.db2.gz QRYFUFRDHDAMKI-GXRSIYKFSA-N 1 0 476.710 3.670 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306732336 1069489150 /nfs/dbraw/zinc/48/91/50/1069489150.db2.gz HJTOBTHFFGWGTC-KNAFXUBQSA-N 1 0 495.716 3.906 20 0 JHADRO C[C@@H]1CCC[C@@](CNC(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)([NH+](C)C)C1 ZINC001311658169 1069491237 /nfs/dbraw/zinc/49/12/37/1069491237.db2.gz VGOWHTURUJWSKX-WHSLLNHNSA-N 1 0 458.416 3.549 20 0 JHADRO C[C@@H]1CCC[C@](CNC(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)([NH+](C)C)C1 ZINC001311658170 1069491254 /nfs/dbraw/zinc/49/12/54/1069491254.db2.gz VGOWHTURUJWSKX-XFQAVAEZSA-N 1 0 458.416 3.549 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306734118 1069495470 /nfs/dbraw/zinc/49/54/70/1069495470.db2.gz ANDOVELCWMDTMR-TZIWHRDSSA-N 1 0 488.080 3.858 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 ZINC001306733503 1069493295 /nfs/dbraw/zinc/49/32/95/1069493295.db2.gz ZBHISBWHMDRODX-BPYKYCOYSA-N 1 0 463.667 3.589 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCCC2)C1 ZINC001306734098 1069495478 /nfs/dbraw/zinc/49/54/78/1069495478.db2.gz AEURFVOVIRBPAK-SFHVURJKSA-N 1 0 477.028 3.966 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001306733933 1069495013 /nfs/dbraw/zinc/49/50/13/1069495013.db2.gz OILXDDBKOBEVQB-GMAHTHKFSA-N 1 0 481.689 3.983 20 0 JHADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC001311671113 1069497396 /nfs/dbraw/zinc/49/73/96/1069497396.db2.gz PLLATWRVTIGNCM-KZNAEPCWSA-N 1 0 458.582 3.601 20 0 JHADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001311670751 1069497410 /nfs/dbraw/zinc/49/74/10/1069497410.db2.gz GZSGPUKPKQLXMQ-ORPNCOOFSA-N 1 0 468.564 3.599 20 0 JHADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC001311671895 1069497990 /nfs/dbraw/zinc/49/79/90/1069497990.db2.gz HSTNILUSYFXHEQ-BRWVUGGUSA-N 1 0 455.430 3.827 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001306735117 1069498983 /nfs/dbraw/zinc/49/89/83/1069498983.db2.gz WLEFESFYQVJWHW-AFXVXQJMSA-N 1 0 474.694 3.568 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCC2)C1 ZINC001306735407 1069499935 /nfs/dbraw/zinc/49/99/35/1069499935.db2.gz QTYUSIVZTIRZEG-JTHBVZDNSA-N 1 0 452.647 3.952 20 0 JHADRO Cc1cccc(NC(=O)COc2ccc(CCNC(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2)c1 ZINC001311689532 1069504202 /nfs/dbraw/zinc/50/42/02/1069504202.db2.gz POGBMOFHPRBDEV-DHIUTWEWSA-N 1 0 452.599 3.727 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CC=CCC2)C1 ZINC001306738422 1069509682 /nfs/dbraw/zinc/50/96/82/1069509682.db2.gz ZTCRCNRVQNBYSO-FGZHOGPDSA-N 1 0 480.657 3.737 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306740193 1069512973 /nfs/dbraw/zinc/51/29/73/1069512973.db2.gz ITFUJUZUWYPSKS-XZOQPEGZSA-N 1 0 481.689 3.902 20 0 JHADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC001311711812 1069513927 /nfs/dbraw/zinc/51/39/27/1069513927.db2.gz FQYDSOGEQVPZKN-YGOYIFOWSA-N 1 0 457.018 3.536 20 0 JHADRO CCN(C(=O)N[C@H](CCSC)c1nnc2ccccn21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311716056 1069516665 /nfs/dbraw/zinc/51/66/65/1069516665.db2.gz WKJWZDCVRZZWIT-NHCUHLMSSA-N 1 0 452.628 3.830 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306743655 1069522756 /nfs/dbraw/zinc/52/27/56/1069522756.db2.gz BONJSVCQAQLFAZ-HXUWFJFHSA-N 1 0 470.637 3.949 20 0 JHADRO C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001311726475 1069523039 /nfs/dbraw/zinc/52/30/39/1069523039.db2.gz HALJXPFRMNLFLA-FCHUYYIVSA-N 1 0 453.583 3.997 20 0 JHADRO C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001311726479 1069523101 /nfs/dbraw/zinc/52/31/01/1069523101.db2.gz HALJXPFRMNLFLA-FGZHOGPDSA-N 1 0 453.583 3.997 20 0 JHADRO COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC001311736802 1069527369 /nfs/dbraw/zinc/52/73/69/1069527369.db2.gz BJROIPODJJHGOQ-RUZDIDTESA-N 1 0 455.574 3.872 20 0 JHADRO O=C(NCc1ccc(Br)cc1Cl)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001311751243 1069533009 /nfs/dbraw/zinc/53/30/09/1069533009.db2.gz IYXHPSVMPLKCLL-HXUWFJFHSA-N 1 0 452.780 3.539 20 0 JHADRO C[NH+](C)CCCOc1cnccc1CNC(=O)NCc1ccc(Br)cc1Cl ZINC001311751526 1069533098 /nfs/dbraw/zinc/53/30/98/1069533098.db2.gz OWZZEWNSUSLQHH-UHFFFAOYSA-N 1 0 455.784 3.827 20 0 JHADRO O=C(NCCNc1nccc(C(F)(F)F)n1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001311766710 1069538646 /nfs/dbraw/zinc/53/86/46/1069538646.db2.gz WXNLLHARSCJIDD-UHFFFAOYSA-N 1 0 450.509 3.783 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CC2(O)CC2)cc1OC ZINC001306748755 1069539251 /nfs/dbraw/zinc/53/92/51/1069539251.db2.gz LYCJGBFBGMTINJ-OALUTQOASA-N 1 0 457.619 3.576 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CC[NH+]2CCSCC2)cc1OC ZINC001306748706 1069539324 /nfs/dbraw/zinc/53/93/24/1069539324.db2.gz KLPXLUPILFMJFD-UHFFFAOYSA-N 1 0 489.686 3.797 20 0 JHADRO C[C@@H](CNC(=O)N1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2)[N@@H+]1CCc2ccccc2C1 ZINC001311791452 1069546934 /nfs/dbraw/zinc/54/69/34/1069546934.db2.gz KBVXEGWHFIFCRP-FQEVSTJZSA-N 1 0 456.631 3.866 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001311792665 1069547048 /nfs/dbraw/zinc/54/70/48/1069547048.db2.gz PQPDUZSDEMKEGM-IBGZPJMESA-N 1 0 458.594 3.975 20 0 JHADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001311786540 1069545262 /nfs/dbraw/zinc/54/52/62/1069545262.db2.gz ZMVKXETWMBDYSJ-UIDQEFQQSA-N 1 0 458.553 3.732 20 0 JHADRO C[C@@H](CNC(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001311796265 1069549733 /nfs/dbraw/zinc/54/97/33/1069549733.db2.gz ULFYWGBBLLLPCO-IBGZPJMESA-N 1 0 456.631 3.912 20 0 JHADRO CCCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001306759028 1069557963 /nfs/dbraw/zinc/55/79/63/1069557963.db2.gz QEYXHXJKMFVKNQ-SFTDATJTSA-N 1 0 495.672 3.972 20 0 JHADRO CCCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001306760565 1069560507 /nfs/dbraw/zinc/56/05/07/1069560507.db2.gz FEUUTXKIVACOIJ-SJORKVTESA-N 1 0 467.456 3.782 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NC[C@@]2(C)COc3ccccc3O2)CC1 ZINC001311822630 1069561458 /nfs/dbraw/zinc/56/14/58/1069561458.db2.gz PWHBKAFINVOWIH-BVZFJXPGSA-N 1 0 456.562 3.558 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NC[C@@]2(C)COc3ccccc3O2)CC1 ZINC001311822631 1069561558 /nfs/dbraw/zinc/56/15/58/1069561558.db2.gz PWHBKAFINVOWIH-CJAUYULYSA-N 1 0 456.562 3.558 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N[C@@H](COC)c2cccc(OC)c2)CC1 ZINC001311822618 1069561576 /nfs/dbraw/zinc/56/15/76/1069561576.db2.gz PTKZHDUNCCNBAL-JPYJTQIMSA-N 1 0 458.578 3.724 20 0 JHADRO COCC[N@H+](C)CCNC(=O)N1CCN(c2ccc(Sc3ccc(C)cc3C)cc2)CC1 ZINC001311828406 1069565426 /nfs/dbraw/zinc/56/54/26/1069565426.db2.gz FICAVORWNFNCRV-UHFFFAOYSA-N 1 0 456.656 3.864 20 0 JHADRO CCCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001306765486 1069566988 /nfs/dbraw/zinc/56/69/88/1069566988.db2.gz HREKXOPFCTUITR-HXUWFJFHSA-N 1 0 461.680 3.595 20 0 JHADRO CCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306765774 1069567302 /nfs/dbraw/zinc/56/73/02/1069567302.db2.gz SXPYBZYIVOPNCY-IQGLISFBSA-N 1 0 451.619 3.549 20 0 JHADRO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306777280 1069573322 /nfs/dbraw/zinc/57/33/22/1069573322.db2.gz ZUQSBRKKRLBZJZ-RLSLOFABSA-N 1 0 478.682 3.943 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CCn2cc(Br)cn2)C1 ZINC001306778953 1069574333 /nfs/dbraw/zinc/57/43/33/1069574333.db2.gz BREMYZVUDDCPTM-IRXDYDNUSA-N 1 0 452.445 3.619 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCO[C@@H](C)C2)C1 ZINC001306779834 1069575982 /nfs/dbraw/zinc/57/59/82/1069575982.db2.gz JGQIVJXUPIXDDF-HBMCJLEFSA-N 1 0 471.646 3.946 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccn(C)n2)C1 ZINC001306783566 1069582952 /nfs/dbraw/zinc/58/29/52/1069582952.db2.gz ZWOACMCDNRPVIB-FGZHOGPDSA-N 1 0 465.646 3.985 20 0 JHADRO COc1cc(Br)c(CNC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1OC ZINC001311857337 1069583083 /nfs/dbraw/zinc/58/30/83/1069583083.db2.gz FIUAOBHDEHVYEF-UHFFFAOYSA-N 1 0 454.409 3.872 20 0 JHADRO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001311850574 1069579487 /nfs/dbraw/zinc/57/94/87/1069579487.db2.gz MKATYAOJSNFKQL-DWLFOUALSA-N 1 0 457.018 3.995 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001306783946 1069583551 /nfs/dbraw/zinc/58/35/51/1069583551.db2.gz KSKLKFRVZDZAPR-NHCUHLMSSA-N 1 0 483.661 3.908 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)NCC(F)F)C1 ZINC001306782796 1069581096 /nfs/dbraw/zinc/58/10/96/1069581096.db2.gz GKIUAPCZVRTLJB-SFHVURJKSA-N 1 0 476.616 3.792 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2OCC[C@H]2C)C1 ZINC001306783178 1069581700 /nfs/dbraw/zinc/58/17/00/1069581700.db2.gz YQYSFXVBKDFXRE-MBOZVWFJSA-N 1 0 479.467 3.639 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2COCCO2)C1 ZINC001306784005 1069584225 /nfs/dbraw/zinc/58/42/25/1069584225.db2.gz JTOZYLZWTJPFCL-NFBKMPQASA-N 1 0 455.647 3.826 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(F)cccc2SC)C1 ZINC001306783952 1069584301 /nfs/dbraw/zinc/58/43/01/1069584301.db2.gz KSQOLNRKDSSRGC-KRWDZBQOSA-N 1 0 457.623 3.756 20 0 JHADRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1cc(OC)c(OC)cc1Br)c1ccco1 ZINC001311858854 1069584551 /nfs/dbraw/zinc/58/45/51/1069584551.db2.gz SRJZGCLTBLUQFC-XJKSGUPXSA-N 1 0 454.365 3.988 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](CC)NC(=O)OC(C)(C)C)C1 ZINC001306784417 1069584772 /nfs/dbraw/zinc/58/47/72/1069584772.db2.gz MJAUXJNFAWFGQH-CTNGQTDRSA-N 1 0 471.650 3.812 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)C1 ZINC001306784420 1069584808 /nfs/dbraw/zinc/58/48/08/1069584808.db2.gz MJAUXJNFAWFGQH-TZIWHRDSSA-N 1 0 471.650 3.812 20 0 JHADRO C[C@H](NC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC001311859439 1069584971 /nfs/dbraw/zinc/58/49/71/1069584971.db2.gz HVCYIADHIVQPEG-IBGZPJMESA-N 1 0 454.590 3.922 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC(F)(F)F)C1 ZINC001306784759 1069585555 /nfs/dbraw/zinc/58/55/55/1069585555.db2.gz SFFCWYLLQYVUBZ-GOSISDBHSA-N 1 0 494.562 3.629 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCCS2(=O)=O)C1 ZINC001306785737 1069587323 /nfs/dbraw/zinc/58/73/23/1069587323.db2.gz SEWSAWJQTWTZAP-RTBURBONSA-N 1 0 480.078 3.734 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(O)CCC2)C1 ZINC001306786773 1069590522 /nfs/dbraw/zinc/59/05/22/1069590522.db2.gz XOADALQYQQMMTE-HNNXBMFYSA-N 1 0 468.465 3.852 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCC[C@@H]2C)C1 ZINC001306787289 1069591141 /nfs/dbraw/zinc/59/11/41/1069591141.db2.gz ANEDRVFDQMUWLG-WOVHNISZSA-N 1 0 455.647 3.597 20 0 JHADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@]2(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001311876358 1069591737 /nfs/dbraw/zinc/59/17/37/1069591737.db2.gz ZNUPWMCZJOZQPJ-QHCPKHFHSA-N 1 0 453.002 3.528 20 0 JHADRO Cn1nccc1[C@H]1C[C@H](NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCO1 ZINC001311878871 1069592854 /nfs/dbraw/zinc/59/28/54/1069592854.db2.gz HGILCSUVZGWYEY-ILBGXUMGSA-N 1 0 453.631 3.674 20 0 JHADRO O=C(NCC1CC1)[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001311878818 1069592958 /nfs/dbraw/zinc/59/29/58/1069592958.db2.gz GJHOIPHHYDUJOK-RUZDIDTESA-N 1 0 454.659 3.669 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(NC(C)=O)nc2)C1 ZINC001306789018 1069594303 /nfs/dbraw/zinc/59/43/03/1069594303.db2.gz SSSWYMFHDSYLES-QHCPKHFHSA-N 1 0 475.641 3.747 20 0 JHADRO CCCN(CC)c1nnc(-c2cc3ccccc3o2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001306791107 1069597291 /nfs/dbraw/zinc/59/72/91/1069597291.db2.gz MVIUDNXJQDSAEH-FQEVSTJZSA-N 1 0 452.603 3.870 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCO[C@H](c4ccccc4Cl)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001314147272 1069603044 /nfs/dbraw/zinc/60/30/44/1069603044.db2.gz OIRKMFAPSJCHLX-OFVILXPXSA-N 1 0 492.064 3.749 20 0 JHADRO CCC[N@H+](CC)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001306797980 1069603292 /nfs/dbraw/zinc/60/32/92/1069603292.db2.gz JRAXZKFLPQNOCX-UHFFFAOYSA-N 1 0 491.080 3.987 20 0 JHADRO CCCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@]1([NH+](C)C)CCSC1 ZINC001306793555 1069599684 /nfs/dbraw/zinc/59/96/84/1069599684.db2.gz IGHTWNHXHCRWOB-RUZDIDTESA-N 1 0 483.686 3.910 20 0 JHADRO CCCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001306794922 1069600897 /nfs/dbraw/zinc/60/08/97/1069600897.db2.gz DGDLJJRSEYJHPH-GOSISDBHSA-N 1 0 461.680 3.515 20 0 JHADRO CCO[C@]1(c2nnc(N3CCO[C@@H](c4ccccc4Cl)C3)n2C[C@H](C)[NH+](CC)CC)CCOC1 ZINC001314147532 1069603606 /nfs/dbraw/zinc/60/36/06/1069603606.db2.gz QFUYWSAZHMEYGS-UWUFEASWSA-N 1 0 492.064 3.892 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001306798381 1069604159 /nfs/dbraw/zinc/60/41/59/1069604159.db2.gz VWEMKLQLULWJGZ-OHUGHZGNSA-N 1 0 475.609 3.673 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001306802234 1069608633 /nfs/dbraw/zinc/60/86/33/1069608633.db2.gz HVPFVEWUXLSJNM-LJQANCHMSA-N 1 0 458.676 3.709 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001306802321 1069608808 /nfs/dbraw/zinc/60/88/08/1069608808.db2.gz IVASVIAWXIPMTL-UHFFFAOYSA-N 1 0 491.562 3.961 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001306801837 1069606946 /nfs/dbraw/zinc/60/69/46/1069606946.db2.gz CLVQZFCXTZPSGH-RBUKOAKNSA-N 1 0 472.703 3.826 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001306802135 1069608083 /nfs/dbraw/zinc/60/80/83/1069608083.db2.gz GRKHBMXANIYHAJ-YADARESESA-N 1 0 462.038 3.638 20 0 JHADRO C[C@H](NC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)[C@H](C)N1CCOCC1 ZINC001311913557 1069610316 /nfs/dbraw/zinc/61/03/16/1069610316.db2.gz MQPYJESYSGUDSU-FXSPECFOSA-N 1 0 456.675 3.962 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306802891 1069611033 /nfs/dbraw/zinc/61/10/33/1069611033.db2.gz QSGWICLCMATUQV-ZWKOTPCHSA-N 1 0 459.660 3.863 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001306803139 1069611534 /nfs/dbraw/zinc/61/15/34/1069611534.db2.gz WCIHEXRUYXAHFH-NBGIEHNGSA-N 1 0 459.610 3.514 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001306803888 1069612175 /nfs/dbraw/zinc/61/21/75/1069612175.db2.gz GCMKTCLLKAUGEV-MOPGFXCFSA-N 1 0 451.619 3.642 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@H](C)CC1 ZINC001306804556 1069614546 /nfs/dbraw/zinc/61/45/46/1069614546.db2.gz KMOSOVCPKMUFBM-IBGZPJMESA-N 1 0 451.619 3.550 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001306804674 1069614558 /nfs/dbraw/zinc/61/45/58/1069614558.db2.gz QERJXBRVUXXGQM-LJQANCHMSA-N 1 0 462.589 3.509 20 0 JHADRO CCC[N@H+](CC)CCn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001306805326 1069615647 /nfs/dbraw/zinc/61/56/47/1069615647.db2.gz YFKKKLKZCJBCBW-UHFFFAOYSA-N 1 0 456.610 3.656 20 0 JHADRO CCC[N@H+](CC)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001306805277 1069615689 /nfs/dbraw/zinc/61/56/89/1069615689.db2.gz XHOOLTGBXWKMHF-UHFFFAOYSA-N 1 0 452.647 3.938 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001306805543 1069616411 /nfs/dbraw/zinc/61/64/11/1069616411.db2.gz JWBSMCQMTAQUDT-UHFFFAOYSA-N 1 0 471.005 3.886 20 0 JHADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CCC(c4ccc(F)cc4)CC3)c2)C1 ZINC001311926876 1069616599 /nfs/dbraw/zinc/61/65/99/1069616599.db2.gz CYNORHXUEOMGIG-QHCPKHFHSA-N 1 0 452.574 3.612 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC001306806925 1069620170 /nfs/dbraw/zinc/62/01/70/1069620170.db2.gz ORMNCZOHVMSHOO-ZJSXRUAMSA-N 1 0 483.636 3.977 20 0 JHADRO CCC[N@H+](CC)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001306807683 1069622209 /nfs/dbraw/zinc/62/22/09/1069622209.db2.gz ZTOAETUYILWIJI-GOSISDBHSA-N 1 0 495.455 3.707 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C)C1 ZINC001306807701 1069622870 /nfs/dbraw/zinc/62/28/70/1069622870.db2.gz YEFKZJNJAXGCSZ-HNNXBMFYSA-N 1 0 454.388 3.804 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001306809198 1069627153 /nfs/dbraw/zinc/62/71/53/1069627153.db2.gz WQOLFKZOIWKPQB-FKBYEOEOSA-N 1 0 490.693 3.945 20 0 JHADRO CCCN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001306812314 1069632985 /nfs/dbraw/zinc/63/29/85/1069632985.db2.gz HAYIKSNUTCFWCG-QUCCMNQESA-N 1 0 495.640 3.607 20 0 JHADRO CC1([NH+]2CCOCC2)CCN(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC001311956566 1069635201 /nfs/dbraw/zinc/63/52/01/1069635201.db2.gz YJEXXZGTUXZVEP-UHFFFAOYSA-N 1 0 451.571 3.727 20 0 JHADRO CCOc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3C[C@]3([NH+](C)C)CCC[C@H](C)C3)CC2)n1 ZINC001314160881 1069645936 /nfs/dbraw/zinc/64/59/36/1069645936.db2.gz YTCJUUVVGZKPEN-FNZWTVRRSA-N 1 0 484.693 3.736 20 0 JHADRO CCOc1cc(C)ccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001314159656 1069641096 /nfs/dbraw/zinc/64/10/96/1069641096.db2.gz QCMOJLHEZHPCCM-OAQYLSRUSA-N 1 0 455.647 3.781 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCc3c(Br)ccc(F)c3C2)[C@@H](C)C1 ZINC001311965386 1069641293 /nfs/dbraw/zinc/64/12/93/1069641293.db2.gz QUSIVMYXFFKZMD-YWZLYKJASA-N 1 0 456.400 3.793 20 0 JHADRO CCOc1cc(Cn2c([C@H](C)CC)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)ccc1OC ZINC001314160922 1069646522 /nfs/dbraw/zinc/64/65/22/1069646522.db2.gz RBMNFLUOIABDIS-UXHICEINSA-N 1 0 471.646 3.937 20 0 JHADRO CCOc1cc(Cn2c([C@@H]3CCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)ccc1OC ZINC001314162661 1069652940 /nfs/dbraw/zinc/65/29/40/1069652940.db2.gz CBZJGTKDSAVIEP-OAQYLSRUSA-N 1 0 471.646 3.796 20 0 JHADRO O=C(c1cc(C(F)(F)F)cc(Cl)n1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001306840400 1069653658 /nfs/dbraw/zinc/65/36/58/1069653658.db2.gz RUPISQQKBHCFMX-SFHVURJKSA-N 1 0 452.908 3.786 20 0 JHADRO CCC(CC)(CNC(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC001311993873 1069656166 /nfs/dbraw/zinc/65/61/66/1069656166.db2.gz MDMDKTYTKFATKT-OALUTQOASA-N 1 0 457.644 3.909 20 0 JHADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)ccc21 ZINC001306845332 1069657158 /nfs/dbraw/zinc/65/71/58/1069657158.db2.gz GLOBCDRARAFHBU-DTKKNGCVSA-N 1 0 453.608 3.887 20 0 JHADRO CCC(CC)(CNC(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)[NH2+][C@H](C)c1ccccc1 ZINC001311995450 1069657589 /nfs/dbraw/zinc/65/75/89/1069657589.db2.gz XDANIHIPGFJYKW-NFBKMPQASA-N 1 0 451.615 3.781 20 0 JHADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC001306847566 1069658420 /nfs/dbraw/zinc/65/84/20/1069658420.db2.gz ZLLXSFVIIMDSLB-YJYMSZOUSA-N 1 0 455.502 3.560 20 0 JHADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1 ZINC001311998829 1069659336 /nfs/dbraw/zinc/65/93/36/1069659336.db2.gz YMAIDYYRJKSDRS-IBGZPJMESA-N 1 0 452.574 3.955 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC001314167003 1069667166 /nfs/dbraw/zinc/66/71/66/1069667166.db2.gz YEXIIJXAMQGJOG-FPOVZHCZSA-N 1 0 457.619 3.842 20 0 JHADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312012528 1069669594 /nfs/dbraw/zinc/66/95/94/1069669594.db2.gz PSEKIRCULSVDOG-RUZDIDTESA-N 1 0 450.627 3.540 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2ccc(NC3=[NH+]CCN3)c(Cl)c2)C1 ZINC001306877278 1069670422 /nfs/dbraw/zinc/67/04/22/1069670422.db2.gz NZLUPXXQVRQFIK-CYBMUJFWSA-N 1 0 457.909 3.542 20 0 JHADRO COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC001312015179 1069671430 /nfs/dbraw/zinc/67/14/30/1069671430.db2.gz AFRBXQHUJUVIQI-ICSRJNTNSA-N 1 0 454.656 3.601 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2C[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC001314168464 1069672470 /nfs/dbraw/zinc/67/24/70/1069672470.db2.gz NQYIRCXIVQGQRA-GOSISDBHSA-N 1 0 454.575 3.627 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCC[NH+]2CCC(O)CC2)cc1OC ZINC001314168678 1069673830 /nfs/dbraw/zinc/67/38/30/1069673830.db2.gz HDUZKNBDQUUNGX-RTBURBONSA-N 1 0 489.686 3.529 20 0 JHADRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC001312022974 1069676273 /nfs/dbraw/zinc/67/62/73/1069676273.db2.gz DKZOQWPFFCMSDI-KKUQBAQOSA-N 1 0 451.611 3.836 20 0 JHADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001312027763 1069682471 /nfs/dbraw/zinc/68/24/71/1069682471.db2.gz VZQCMTWODNYYBL-MRXNPFEDSA-N 1 0 452.443 3.941 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1OC ZINC001314170290 1069679787 /nfs/dbraw/zinc/67/97/87/1069679787.db2.gz YYSTVOFBVBYJLN-IQGLISFBSA-N 1 0 489.686 3.793 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC001314170289 1069679836 /nfs/dbraw/zinc/67/98/36/1069679836.db2.gz YYSTVOFBVBYJLN-CJAUYULYSA-N 1 0 489.686 3.793 20 0 JHADRO CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001312026762 1069681001 /nfs/dbraw/zinc/68/10/01/1069681001.db2.gz WDGGOQCQEMAGBD-UODIDJSMSA-N 1 0 450.627 3.630 20 0 JHADRO CCOC(=O)c1sc2nc(CN(C)C)nc(NC[C@H](Cc3ccccc3)[NH+](C)C)c2c1C ZINC001306908578 1069681901 /nfs/dbraw/zinc/68/19/01/1069681901.db2.gz JZENJEFWBCYOJT-SFHVURJKSA-N 1 0 455.628 3.823 20 0 JHADRO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC001312036443 1069686986 /nfs/dbraw/zinc/68/69/86/1069686986.db2.gz MDXUPYGIODJXRO-JYFHCDHNSA-N 1 0 451.611 3.741 20 0 JHADRO CC1CC[NH+](Cc2ccccc2CNC(=O)NCCNc2nccc(C(F)(F)F)n2)CC1 ZINC001312046664 1069691027 /nfs/dbraw/zinc/69/10/27/1069691027.db2.gz OUBPUNBTSNEENO-UHFFFAOYSA-N 1 0 450.509 3.639 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2cccnc2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001307004576 1069699776 /nfs/dbraw/zinc/69/97/76/1069699776.db2.gz FKXSNZKOOLPUJQ-VWLOTQADSA-N 1 0 456.635 3.627 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001307004559 1069699820 /nfs/dbraw/zinc/69/98/20/1069699820.db2.gz DPEKPTNUYYGNIZ-UXHICEINSA-N 1 0 474.053 3.753 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCSC[C@@H]1C ZINC001307004972 1069700166 /nfs/dbraw/zinc/70/01/66/1069700166.db2.gz KTMFYCGZLPQHIN-IBGZPJMESA-N 1 0 483.686 3.646 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001307004683 1069700287 /nfs/dbraw/zinc/70/02/87/1069700287.db2.gz IBNGVRMDDOCXIG-UHFFFAOYSA-N 1 0 475.703 3.990 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001307005021 1069700334 /nfs/dbraw/zinc/70/03/34/1069700334.db2.gz LRHOHDOZYZWBRE-GOSISDBHSA-N 1 0 460.623 3.522 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001307005596 1069701488 /nfs/dbraw/zinc/70/14/88/1069701488.db2.gz XLFNUFSRVRYVJZ-OAQYLSRUSA-N 1 0 477.657 3.981 20 0 JHADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(C(=O)c3ccccc3F)CC2)[C@@H]1c1cccs1 ZINC001312072430 1069705426 /nfs/dbraw/zinc/70/54/26/1069705426.db2.gz RWFCMHBHIZUWOC-XMSQKQJNSA-N 1 0 458.603 3.828 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[N@@H+]2CCCC[C@@H]2CC)cc1OC ZINC001314177036 1069709968 /nfs/dbraw/zinc/70/99/68/1069709968.db2.gz AZPVODXSVONDHG-HJNYFJLDSA-N 1 0 471.646 3.824 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC(O)(CC)CC)cc1OC ZINC001314178492 1069715557 /nfs/dbraw/zinc/71/55/57/1069715557.db2.gz VQMPIMWPXFGAES-NRFANRHFSA-N 1 0 471.646 3.968 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCCC(F)(F)F)cc1OC ZINC001314179370 1069718704 /nfs/dbraw/zinc/71/87/04/1069718704.db2.gz LXNZIXPBZNKNEJ-GOSISDBHSA-N 1 0 497.562 3.853 20 0 JHADRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001312107584 1069723746 /nfs/dbraw/zinc/72/37/46/1069723746.db2.gz QOZBHTHOIAPHTK-JWQCQUIFSA-N 1 0 451.611 3.789 20 0 JHADRO CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307022855 1069730510 /nfs/dbraw/zinc/73/05/10/1069730510.db2.gz AGRINECCTYXOPE-VXKWHMMOSA-N 1 0 484.645 3.707 20 0 JHADRO CCOc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001314183541 1069732731 /nfs/dbraw/zinc/73/27/31/1069732731.db2.gz IMGKARWKFHUDDB-QNWVGRARSA-N 1 0 471.646 3.707 20 0 JHADRO CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001307027260 1069733833 /nfs/dbraw/zinc/73/38/33/1069733833.db2.gz YECHDZMJUAZSLS-UHFFFAOYSA-N 1 0 462.646 3.603 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2ccon2)C1 ZINC001307030094 1069737676 /nfs/dbraw/zinc/73/76/76/1069737676.db2.gz UIHVYSMOSJTJKK-LJQANCHMSA-N 1 0 451.575 3.504 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCCC[C@H](SC)C2)C1 ZINC001307030123 1069737812 /nfs/dbraw/zinc/73/78/12/1069737812.db2.gz UVSQDRPQSDZPHF-ICSRJNTNSA-N 1 0 450.697 3.650 20 0 JHADRO CCOc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1OCC ZINC001314185138 1069737321 /nfs/dbraw/zinc/73/73/21/1069737321.db2.gz ZPKVAYFEJSLYII-NRFANRHFSA-N 1 0 498.672 3.580 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001307030726 1069738493 /nfs/dbraw/zinc/73/84/93/1069738493.db2.gz CMSBLTOISJHGIJ-ROUUACIJSA-N 1 0 468.067 3.590 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(CC)cc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)C1 ZINC001307030289 1069738584 /nfs/dbraw/zinc/73/85/84/1069738584.db2.gz ABVSDSLSKYOFKA-VWNXMTODSA-N 1 0 466.674 3.980 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCc3ccc(Cl)cc3C2)C1 ZINC001307030637 1069739272 /nfs/dbraw/zinc/73/92/72/1069739272.db2.gz APRWEMSKMQFODA-RTBURBONSA-N 1 0 462.038 3.950 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC[C@H](OC)C2)C1 ZINC001307031959 1069742088 /nfs/dbraw/zinc/74/20/88/1069742088.db2.gz OOKLQONDNRSILQ-FPOVZHCZSA-N 1 0 457.619 3.698 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(NC(=O)COC)CC2)C1 ZINC001307033502 1069748075 /nfs/dbraw/zinc/74/80/75/1069748075.db2.gz MARZEUUITSFAJR-OAQYLSRUSA-N 1 0 496.700 3.706 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC=C(COC)CC2)C1 ZINC001307033118 1069746944 /nfs/dbraw/zinc/74/69/44/1069746944.db2.gz NFLNGYKBOONMLH-QGZVFWFLSA-N 1 0 463.424 3.551 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(Cl)c3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001307033157 1069747367 /nfs/dbraw/zinc/74/73/67/1069747367.db2.gz ITMDGAGKYIZKKY-OAQYLSRUSA-N 1 0 480.078 3.734 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(OC)c3)nnc2N(CC)Cc2cnn(C)c2)CC1 ZINC001307033911 1069748719 /nfs/dbraw/zinc/74/87/19/1069748719.db2.gz NVIIGSDXRUSVLQ-UHFFFAOYSA-N 1 0 451.619 3.836 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H](CC)c3ccccc3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001307034141 1069749554 /nfs/dbraw/zinc/74/95/54/1069749554.db2.gz PHRZVFPMOGTMPH-ZEQRLZLVSA-N 1 0 455.647 3.794 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc[nH]3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001307035247 1069752822 /nfs/dbraw/zinc/75/28/22/1069752822.db2.gz QVUBVMTWZLSLGZ-WIYYLYMNSA-N 1 0 471.650 3.745 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001307034723 1069750293 /nfs/dbraw/zinc/75/02/93/1069750293.db2.gz QNNYSOGQDVCUBA-LJQANCHMSA-N 1 0 486.636 3.771 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001307034287 1069750450 /nfs/dbraw/zinc/75/04/50/1069750450.db2.gz ILNPCBZBGAWSIJ-SFHVURJKSA-N 1 0 454.541 3.943 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001307034316 1069750464 /nfs/dbraw/zinc/75/04/64/1069750464.db2.gz PLDGYEQZNHLYDF-IBGZPJMESA-N 1 0 493.743 3.878 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](COCC)C2)C1 ZINC001307035521 1069753708 /nfs/dbraw/zinc/75/37/08/1069753708.db2.gz VPJXUNHJRLTLRF-SJORKVTESA-N 1 0 465.440 3.630 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](OCCOC)C2)C1 ZINC001307036431 1069756991 /nfs/dbraw/zinc/75/69/91/1069756991.db2.gz ZDDRKPHKGFTCLX-SJORKVTESA-N 1 0 498.491 3.743 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001307038805 1069762173 /nfs/dbraw/zinc/76/21/73/1069762173.db2.gz LLWBAADVPMQUTL-RUZDIDTESA-N 1 0 473.065 3.607 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CCC[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC001307038785 1069762251 /nfs/dbraw/zinc/76/22/51/1069762251.db2.gz KSBMPWJQINYJHT-QHCPKHFHSA-N 1 0 456.683 3.724 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001307039515 1069764456 /nfs/dbraw/zinc/76/44/56/1069764456.db2.gz XDSSQRNLQVNZFE-OAQYLSRUSA-N 1 0 491.627 3.899 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3F)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)C1 ZINC001307040027 1069765831 /nfs/dbraw/zinc/76/58/31/1069765831.db2.gz VJBJOIKZMUHJLB-PMACEKPBSA-N 1 0 470.637 3.947 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H](C)c2nccs2)C1 ZINC001307040468 1069766859 /nfs/dbraw/zinc/76/68/59/1069766859.db2.gz BHGMWJWYLWDUHC-FXAWDEMLSA-N 1 0 456.664 3.568 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)C1 ZINC001307040805 1069767489 /nfs/dbraw/zinc/76/74/89/1069767489.db2.gz XWGUIEAYGDZZPP-YADHBBJMSA-N 1 0 482.673 3.674 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001307041679 1069769143 /nfs/dbraw/zinc/76/91/43/1069769143.db2.gz HFCDIVQAUCCUFN-CTNGQTDRSA-N 1 0 476.666 3.745 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001307041209 1069768621 /nfs/dbraw/zinc/76/86/21/1069768621.db2.gz RWEVQAQAOBNUKE-XMMPIXPASA-N 1 0 494.606 3.916 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001307041842 1069770037 /nfs/dbraw/zinc/77/00/37/1069770037.db2.gz VCQSCSMFBUZCHZ-VQTJNVASSA-N 1 0 466.552 3.544 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Br)cs2)CC1 ZINC001307042111 1069770686 /nfs/dbraw/zinc/77/06/86/1069770686.db2.gz IKNLLCRLTYOBQU-GOSISDBHSA-N 1 0 495.491 3.812 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001314195649 1069770901 /nfs/dbraw/zinc/77/09/01/1069770901.db2.gz DURLLULRDYCTKK-QHAWAJNXSA-N 1 0 457.619 3.916 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[C@@H](OC)C3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001314195776 1069771709 /nfs/dbraw/zinc/77/17/09/1069771709.db2.gz AWFHBVJMMYLNPW-SIKLNZKXSA-N 1 0 457.619 3.916 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)N(CC)CC)CC2)CC1 ZINC001307042432 1069772277 /nfs/dbraw/zinc/77/22/77/1069772277.db2.gz QLJLQAXSXHQRBM-UHFFFAOYSA-N 1 0 473.710 3.717 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC001307042619 1069772767 /nfs/dbraw/zinc/77/27/67/1069772767.db2.gz KLTLGVLSQUKOPB-RTBURBONSA-N 1 0 473.618 3.698 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](COc3ccccc3)C2)C1 ZINC001307043168 1069774626 /nfs/dbraw/zinc/77/46/26/1069774626.db2.gz HLDJMDZZLCKWEA-GMAHTHKFSA-N 1 0 455.647 3.883 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001307043001 1069773721 /nfs/dbraw/zinc/77/37/21/1069773721.db2.gz XHCVKKYVWKJORG-UHFFFAOYSA-N 1 0 482.673 3.701 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H](COCC)C2)CC1 ZINC001307043152 1069774232 /nfs/dbraw/zinc/77/42/32/1069774232.db2.gz ZVBVPLOTMAMEIS-HSZRJFAPSA-N 1 0 457.667 3.515 20 0 JHADRO CC1(C)Oc2ccsc2[C@@H](NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1O ZINC001312204473 1069779626 /nfs/dbraw/zinc/77/96/26/1069779626.db2.gz PMPDWELXIQDFII-GGAORHGYSA-N 1 0 473.639 3.692 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001307044041 1069776808 /nfs/dbraw/zinc/77/68/08/1069776808.db2.gz CAGSNWNZIFXWBO-HSZRJFAPSA-N 1 0 483.657 3.985 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001307044743 1069779753 /nfs/dbraw/zinc/77/97/53/1069779753.db2.gz IQCMWHMQJWKSFH-FQEVSTJZSA-N 1 0 489.064 3.595 20 0 JHADRO CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001312203612 1069778873 /nfs/dbraw/zinc/77/88/73/1069778873.db2.gz CMZZESXKJLVQHB-SFHVURJKSA-N 1 0 456.656 3.956 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCC(CC(=O)NC4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001307045929 1069783031 /nfs/dbraw/zinc/78/30/31/1069783031.db2.gz IDFKQINIVXNRCR-NRFANRHFSA-N 1 0 458.695 3.973 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2COCCO2)CC1 ZINC001307045757 1069783286 /nfs/dbraw/zinc/78/32/86/1069783286.db2.gz MXPKCFMBLOBJNL-GOSISDBHSA-N 1 0 468.429 3.978 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 ZINC001307046309 1069784414 /nfs/dbraw/zinc/78/44/14/1069784414.db2.gz WTKWQVBXAVIFBN-ISKFKSNPSA-N 1 0 455.647 3.870 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCS2)CC1 ZINC001307044990 1069780394 /nfs/dbraw/zinc/78/03/94/1069780394.db2.gz CPQABZMKIJDITP-HXUWFJFHSA-N 1 0 477.700 3.555 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCNC(=O)[C@H]2CC)C1 ZINC001307045515 1069781095 /nfs/dbraw/zinc/78/10/95/1069781095.db2.gz LZGJZZKCPFZCKO-VQIMIIECSA-N 1 0 495.455 3.611 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C)[C@@H]2C)C1 ZINC001307046320 1069784682 /nfs/dbraw/zinc/78/46/82/1069784682.db2.gz YDKLQYLZNQXTBU-TUFLPTIASA-N 1 0 476.666 3.553 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(c4cc(C)nc(C(C)C)n4)CC3)nnc2C(C)(C)C)C1 ZINC001307045607 1069782236 /nfs/dbraw/zinc/78/22/36/1069782236.db2.gz GJAPUJPAZNFSMH-NRFANRHFSA-N 1 0 468.694 3.856 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001307046890 1069786636 /nfs/dbraw/zinc/78/66/36/1069786636.db2.gz SIVWJPHYDVVINN-RDPSFJRHSA-N 1 0 471.646 3.849 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001307047017 1069787554 /nfs/dbraw/zinc/78/75/54/1069787554.db2.gz PVWMXWDDYGSOAT-ZCNNSNEGSA-N 1 0 459.660 3.925 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001307046942 1069787773 /nfs/dbraw/zinc/78/77/73/1069787773.db2.gz UJBOPEIGOYHLCR-UHFFFAOYSA-N 1 0 475.081 3.912 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccccc3CC)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001307047116 1069788197 /nfs/dbraw/zinc/78/81/97/1069788197.db2.gz WCRWVPHAICPZLR-UHFFFAOYSA-N 1 0 496.700 3.846 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N(C)CC(=O)Nc2ccccc2CC)CC1 ZINC001307047287 1069788396 /nfs/dbraw/zinc/78/83/96/1069788396.db2.gz RPRMSFGTHCKAGH-HSZRJFAPSA-N 1 0 468.646 3.889 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)C1 ZINC001307047433 1069788918 /nfs/dbraw/zinc/78/89/18/1069788918.db2.gz ZUWUMGAGZUDRDQ-DHIUTWEWSA-N 1 0 484.714 3.915 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2C[C@H](C)c2c(C)noc2C)CC1 ZINC001307048794 1069794715 /nfs/dbraw/zinc/79/47/15/1069794715.db2.gz YYJBVMCVOSLILF-SFHVURJKSA-N 1 0 451.619 3.983 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3C)n2CCCc2nc(C)no2)CC1 ZINC001307048014 1069792011 /nfs/dbraw/zinc/79/20/11/1069792011.db2.gz JNDNWIUQXQENGV-UHFFFAOYSA-N 1 0 451.619 3.812 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2CCCn2ccnc2C)CC1 ZINC001307047916 1069792111 /nfs/dbraw/zinc/79/21/11/1069792111.db2.gz FGMJOYNKZAQDNJ-UHFFFAOYSA-N 1 0 453.610 3.914 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001314200526 1069792679 /nfs/dbraw/zinc/79/26/79/1069792679.db2.gz UQHBTKOYSPBCMK-RDPSFJRHSA-N 1 0 498.672 3.606 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(C)=O)cc2)CC1 ZINC001307048230 1069793220 /nfs/dbraw/zinc/79/32/20/1069793220.db2.gz BACHIVHAEVPJBM-MHZLTWQESA-N 1 0 498.672 3.636 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2Cc2nccn2C(F)F)CC1 ZINC001307048666 1069793951 /nfs/dbraw/zinc/79/39/51/1069793951.db2.gz XFWPMKKPUYAJRI-UHFFFAOYSA-N 1 0 461.536 3.959 20 0 JHADRO CO[C@@H](CNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1Cl ZINC001312236833 1069798400 /nfs/dbraw/zinc/79/84/00/1069798400.db2.gz OIHKZSZKXKZFHL-QPPBQGQZSA-N 1 0 457.018 3.629 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001307049797 1069798796 /nfs/dbraw/zinc/79/87/96/1069798796.db2.gz RLQIJQVJJXWOKV-TZIWHRDSSA-N 1 0 476.666 3.697 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2C[C@H]2CCCCO2)cc1 ZINC001314201987 1069799041 /nfs/dbraw/zinc/79/90/41/1069799041.db2.gz XMWXOOGADBPMKF-MIZPHKNDSA-N 1 0 457.619 3.916 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC1(c2ccccc2)CC1 ZINC001307050246 1069799430 /nfs/dbraw/zinc/79/94/30/1069799430.db2.gz BMOFUHOSFNNXJZ-QFIPXVFZSA-N 1 0 452.647 3.849 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COCC)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001307050271 1069799461 /nfs/dbraw/zinc/79/94/61/1069799461.db2.gz BZVJKVZSZXABJZ-FQEVSTJZSA-N 1 0 478.682 3.772 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C)cc3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001307050180 1069799526 /nfs/dbraw/zinc/79/95/26/1069799526.db2.gz ACDZSWWJXVARLA-UHFFFAOYSA-N 1 0 470.662 3.781 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@H](c4nc(C)no4)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001314201792 1069797757 /nfs/dbraw/zinc/79/77/57/1069797757.db2.gz OUYCTKUXGGEPJQ-QWFCFKBJSA-N 1 0 483.617 3.842 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(N4CCCCC4=O)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001314202237 1069800488 /nfs/dbraw/zinc/80/04/88/1069800488.db2.gz YKOORHGEPGELJD-SFTDATJTSA-N 1 0 498.672 3.748 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3F)n2CC(=O)NC2CCCCC2)CC1 ZINC001307050506 1069800784 /nfs/dbraw/zinc/80/07/84/1069800784.db2.gz XQWXTNBGPPWYFJ-UHFFFAOYSA-N 1 0 456.610 3.844 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)CC2CC2)CC1 ZINC001307050834 1069801355 /nfs/dbraw/zinc/80/13/55/1069801355.db2.gz VETZWMHJCABXIT-UHFFFAOYSA-N 1 0 480.078 3.734 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001307051036 1069802583 /nfs/dbraw/zinc/80/25/83/1069802583.db2.gz JMPITCISLOTZCT-NRFANRHFSA-N 1 0 489.064 3.947 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nc(C(C)C)cs2)CC1 ZINC001307051460 1069804225 /nfs/dbraw/zinc/80/42/25/1069804225.db2.gz OBYYUNHDUMYUDE-AVRDEDQJSA-N 1 0 476.691 3.941 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2Cc2ccc(N(CC)CC)nc2)CC1 ZINC001307051873 1069806025 /nfs/dbraw/zinc/80/60/25/1069806025.db2.gz UVHCSICBWWBDDB-JOCHJYFZSA-N 1 0 455.651 3.730 20 0 JHADRO C[C@H]1C[C@H](NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312249676 1069808114 /nfs/dbraw/zinc/80/81/14/1069808114.db2.gz ABSNFYAZQNVSGL-CYFREDJKSA-N 1 0 452.574 3.527 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](c4nccs4)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001314203525 1069808223 /nfs/dbraw/zinc/80/82/23/1069808223.db2.gz QILQNUWJEUDAFG-UEXGIBASSA-N 1 0 486.642 3.801 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)cc2)CC1 ZINC001307053776 1069813363 /nfs/dbraw/zinc/81/33/63/1069813363.db2.gz QXNYUUDQGHYKCU-UHFFFAOYSA-N 1 0 470.618 3.768 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001307052925 1069809827 /nfs/dbraw/zinc/80/98/27/1069809827.db2.gz ADODPRDORNCMQV-QZTJIDSGSA-N 1 0 489.462 3.639 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C[C@H]1c1ccc(Cl)cc1 ZINC001312252153 1069810712 /nfs/dbraw/zinc/81/07/12/1069810712.db2.gz JAPFUBMPRGUHQZ-OCYFJXFZSA-N 1 0 455.986 3.901 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)CC1 ZINC001307053511 1069812655 /nfs/dbraw/zinc/81/26/55/1069812655.db2.gz DCCWSTVNUDHFTG-QFIPXVFZSA-N 1 0 488.702 3.696 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(C)(C)O)c2)CC1 ZINC001307053788 1069813969 /nfs/dbraw/zinc/81/39/69/1069813969.db2.gz CGMROEBXZGPKID-NRFANRHFSA-N 1 0 455.647 3.758 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001307054854 1069818102 /nfs/dbraw/zinc/81/81/02/1069818102.db2.gz NPTYRRMNDCKSGV-NLWGTHIKSA-N 1 0 475.037 3.648 20 0 JHADRO CCOc1cccc(Cn2c(-c3cccn3C)nnc2N2CC[NH+](C(C)C)CC2)c1OC(F)F ZINC001314207813 1069821455 /nfs/dbraw/zinc/82/14/55/1069821455.db2.gz NKIZYVDRDUQWKX-UHFFFAOYSA-N 1 0 474.556 3.862 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001307055643 1069822436 /nfs/dbraw/zinc/82/24/36/1069822436.db2.gz QVNDKKADOAZKPC-QHCPKHFHSA-N 1 0 484.693 3.579 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001307055065 1069819223 /nfs/dbraw/zinc/81/92/23/1069819223.db2.gz ONHBWAPDPUWPJG-XPWALMASSA-N 1 0 482.673 3.966 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001307056020 1069825116 /nfs/dbraw/zinc/82/51/16/1069825116.db2.gz SIIIVJFWYYIGTL-DNQXCXABSA-N 1 0 481.689 3.936 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307056345 1069826381 /nfs/dbraw/zinc/82/63/81/1069826381.db2.gz DKNMWNIUNIAILK-DHIUTWEWSA-N 1 0 491.677 3.676 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3COc4ccccc4O3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001307056166 1069826435 /nfs/dbraw/zinc/82/64/35/1069826435.db2.gz PDYYNINCQULMIM-RCZVLFRGSA-N 1 0 457.619 3.508 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307057179 1069831455 /nfs/dbraw/zinc/83/14/55/1069831455.db2.gz HUEQTPUCOYAOGG-HKBOAZHASA-N 1 0 476.666 3.888 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2)CC1 ZINC001307057782 1069836392 /nfs/dbraw/zinc/83/63/92/1069836392.db2.gz ZKQXSSWCAZHTGF-NZQKXSOJSA-N 1 0 488.702 3.537 20 0 JHADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001312283371 1069837242 /nfs/dbraw/zinc/83/72/42/1069837242.db2.gz BBLMDWVGXMEGJX-ZHFAOOELSA-N 1 0 450.421 3.714 20 0 JHADRO CCOc1ccccc1CCn1c(CC(C)C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001314212875 1069838895 /nfs/dbraw/zinc/83/88/95/1069838895.db2.gz QTJQPLCNAOUAMK-UHFFFAOYSA-N 1 0 465.646 3.564 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001307059459 1069844176 /nfs/dbraw/zinc/84/41/76/1069844176.db2.gz WYHFJJDYDJZANU-OFVILXPXSA-N 1 0 457.667 3.617 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(F)(F)F ZINC001307060065 1069847600 /nfs/dbraw/zinc/84/76/00/1069847600.db2.gz ZQEMOQJSOKPLMC-OAHLLOKOSA-N 1 0 458.554 3.533 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCCS(C)(=O)=O ZINC001307060724 1069850703 /nfs/dbraw/zinc/85/07/03/1069850703.db2.gz BUPVHQZHYHRHIN-LJQANCHMSA-N 1 0 472.659 3.562 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCCS(C)(=O)=O ZINC001307060721 1069850826 /nfs/dbraw/zinc/85/08/26/1069850826.db2.gz BUPVHQZHYHRHIN-IBGZPJMESA-N 1 0 472.659 3.562 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001307061380 1069852483 /nfs/dbraw/zinc/85/24/83/1069852483.db2.gz GHRGKTXEMUAZMT-JOCHJYFZSA-N 1 0 461.614 3.648 20 0 JHADRO CCCN1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H](C)[NH+]2CCCCC2)CC1=O ZINC001307061124 1069851343 /nfs/dbraw/zinc/85/13/43/1069851343.db2.gz HOFUFXQVOQDPDQ-NRFANRHFSA-N 1 0 468.646 3.667 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)[C@H]1c1ccc(F)cc1 ZINC001312307286 1069851648 /nfs/dbraw/zinc/85/16/48/1069851648.db2.gz XJODLWBSKZGHCI-OKZBNKHCSA-N 1 0 456.509 3.515 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001307061387 1069853110 /nfs/dbraw/zinc/85/31/10/1069853110.db2.gz GITWHXWCBSMQCS-SFTDATJTSA-N 1 0 485.677 3.994 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1ccccc1CC ZINC001307061659 1069853754 /nfs/dbraw/zinc/85/37/54/1069853754.db2.gz GWXHJBLWUMNIAE-OAQYLSRUSA-N 1 0 476.629 3.637 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307061725 1069854659 /nfs/dbraw/zinc/85/46/59/1069854659.db2.gz IBTYQFQXNDVQSI-NHCUHLMSSA-N 1 0 489.686 3.622 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001307061727 1069855078 /nfs/dbraw/zinc/85/50/78/1069855078.db2.gz IBTYQFQXNDVQSI-SFTDATJTSA-N 1 0 489.686 3.622 20 0 JHADRO CCCN1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1=O ZINC001307062321 1069858441 /nfs/dbraw/zinc/85/84/41/1069858441.db2.gz QVUPXJUHHGTYIR-OAQYLSRUSA-N 1 0 468.646 3.523 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CC[C@H]1CCOC1 ZINC001314219420 1069862119 /nfs/dbraw/zinc/86/21/19/1069862119.db2.gz YQBZENIGZXOYCE-ACRUOGEOSA-N 1 0 457.619 3.601 20 0 JHADRO C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001312322037 1069862536 /nfs/dbraw/zinc/86/25/36/1069862536.db2.gz VHXSXGHPIUOBOH-NBGIEHNGSA-N 1 0 454.590 3.650 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[NH+](CC)CC)CC1=O ZINC001307064366 1069865960 /nfs/dbraw/zinc/86/59/60/1069865960.db2.gz MJCFPZFBKFTGOJ-KRWDZBQOSA-N 1 0 465.017 3.917 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@H+](C)C2CCCC2)CC1=O ZINC001307065203 1069870117 /nfs/dbraw/zinc/87/01/17/1069870117.db2.gz ZOVVWFRCVYNETQ-UHFFFAOYSA-N 1 0 489.064 3.930 20 0 JHADRO CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC001312335778 1069870660 /nfs/dbraw/zinc/87/06/60/1069870660.db2.gz GMMJUUDUVFWJTA-CPJSRVTESA-N 1 0 455.647 3.820 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001307066711 1069875575 /nfs/dbraw/zinc/87/55/75/1069875575.db2.gz JSBVFWCLAWKOPO-RTWAWAEBSA-N 1 0 478.682 3.772 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1=O ZINC001307065902 1069872411 /nfs/dbraw/zinc/87/24/11/1069872411.db2.gz SZZALYSCVRZJFU-UHFFFAOYSA-N 1 0 496.700 3.515 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[C@@](C)(OC)C2)n1CC[N@H+]1CC=CCC1 ZINC001314222126 1069874766 /nfs/dbraw/zinc/87/47/66/1069874766.db2.gz JTEIFLVEMVKGQQ-RUZDIDTESA-N 1 0 455.603 3.523 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001307068519 1069879835 /nfs/dbraw/zinc/87/98/35/1069879835.db2.gz PMWUCBWDQKKCFE-CQOQZXRMSA-N 1 0 471.646 3.670 20 0 JHADRO CC1CC[NH+](C2CCC(NC(=O)NC[C@@H](O)COc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001312353176 1069881406 /nfs/dbraw/zinc/88/14/06/1069881406.db2.gz SVCXTLGYTWMGDG-SOAGJPPSSA-N 1 0 457.537 3.787 20 0 JHADRO CC(C)N1C(=O)C[C@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312366319 1069890774 /nfs/dbraw/zinc/89/07/74/1069890774.db2.gz MQAJQGPRMXYZLI-UNMCSNQZSA-N 1 0 450.986 3.846 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314224670 1069887148 /nfs/dbraw/zinc/88/71/48/1069887148.db2.gz GCNJOVMPUDBFFS-OFNKIYASSA-N 1 0 471.646 3.847 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314225740 1069892190 /nfs/dbraw/zinc/89/21/90/1069892190.db2.gz MNMSQZYWMOLAPN-YSFYHYPLSA-N 1 0 471.646 3.990 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@@H]1OCCC1(C)C ZINC001314226432 1069896473 /nfs/dbraw/zinc/89/64/73/1069896473.db2.gz UDKFQCHDFCRSCH-UGKGYDQZSA-N 1 0 457.619 3.601 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001312370289 1069892887 /nfs/dbraw/zinc/89/28/87/1069892887.db2.gz VCLNCBUWJOIMIX-MXVIHJGJSA-N 1 0 459.635 3.928 20 0 JHADRO CC[C@H](C)Oc1cc(CNC(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)ccn1 ZINC001312374913 1069894937 /nfs/dbraw/zinc/89/49/37/1069894937.db2.gz FHAVMEKCBCERSW-SFHVURJKSA-N 1 0 453.587 3.681 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001314226858 1069898961 /nfs/dbraw/zinc/89/89/61/1069898961.db2.gz IVOLAWFPRXJPSM-JTHBVZDNSA-N 1 0 498.672 3.577 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCCOCC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001314227264 1069901291 /nfs/dbraw/zinc/90/12/91/1069901291.db2.gz LKAORUUXAASKIF-JOCHJYFZSA-N 1 0 471.646 3.851 20 0 JHADRO CCOc1ccnc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CC2)n1 ZINC001314227864 1069904088 /nfs/dbraw/zinc/90/40/88/1069904088.db2.gz XZRHTYGFBXFFMK-HXUWFJFHSA-N 1 0 498.701 3.746 20 0 JHADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C[C@@H]1C ZINC001312391641 1069904802 /nfs/dbraw/zinc/90/48/02/1069904802.db2.gz HTYIYOQGFWGKOD-VDGAXYAQSA-N 1 0 454.537 3.711 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCCO[C@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001314228260 1069906251 /nfs/dbraw/zinc/90/62/51/1069906251.db2.gz WVSOPCKSWCIZPW-FGZHOGPDSA-N 1 0 471.646 3.991 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc([C@H](C)CC)n3C[C@@H](c3ccco3)[NH+](C)C)CC2)n1 ZINC001314228419 1069906878 /nfs/dbraw/zinc/90/68/78/1069906878.db2.gz AUNUVTMDMCLDIV-UXHICEINSA-N 1 0 482.633 3.593 20 0 JHADRO FC(F)(F)c1ncnc(N2CCC[N@H+](Cc3ccccc3)CCOCC2)c1Br ZINC001307217363 1069908070 /nfs/dbraw/zinc/90/80/70/1069908070.db2.gz JHQNXNLZQHGCON-UHFFFAOYSA-N 1 0 459.310 3.987 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCOC[C@H]2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314228776 1069908396 /nfs/dbraw/zinc/90/83/96/1069908396.db2.gz LWIYRGRJMKDBTF-UYAOXDASSA-N 1 0 471.627 3.845 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)[NH+]3CCC(C)CC3)CC2)n1 ZINC001314229729 1069913502 /nfs/dbraw/zinc/91/35/02/1069913502.db2.gz ZZIYTXFHYFHTGE-JOCHJYFZSA-N 1 0 498.720 3.893 20 0 JHADRO C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)CC1=O ZINC001312409122 1069914692 /nfs/dbraw/zinc/91/46/92/1069914692.db2.gz OJJMVRKIJAOGRI-UYAOXDASSA-N 1 0 454.537 3.537 20 0 JHADRO CCOc1ncccc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001314231718 1069919047 /nfs/dbraw/zinc/91/90/47/1069919047.db2.gz KYIDQSSNNPDJSA-GOSISDBHSA-N 1 0 471.005 3.597 20 0 JHADRO C[N@@H+]1CC[C@@H](CNC(=O)N2CCn3c(cnc3C(F)(F)F)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312414016 1069918940 /nfs/dbraw/zinc/91/89/40/1069918940.db2.gz INYYVPZINPJDJK-GUYCJALGSA-N 1 0 459.875 3.913 20 0 JHADRO CCOc1ncccc1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001314232242 1069921272 /nfs/dbraw/zinc/92/12/72/1069921272.db2.gz WAAQXURNWPEVSB-RTBURBONSA-N 1 0 450.587 3.715 20 0 JHADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC001312423827 1069925766 /nfs/dbraw/zinc/92/57/66/1069925766.db2.gz RROIULBHKTZHQS-JOCHJYFZSA-N 1 0 459.654 3.632 20 0 JHADRO 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CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1(C)C ZINC001314255172 1069990082 /nfs/dbraw/zinc/99/00/82/1069990082.db2.gz IIZARKHWVRYVAZ-YXPKMTABSA-N 1 0 470.662 3.788 20 0 JHADRO COC(=O)N1CCC([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001312532944 1069995750 /nfs/dbraw/zinc/99/57/50/1069995750.db2.gz NEDVXLVTZNFEGW-INIZCTEOSA-N 1 0 458.525 3.646 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001314263387 1070007518 /nfs/dbraw/zinc/00/75/18/1070007518.db2.gz AAFFBFXQPUOTRZ-FQEVSTJZSA-N 1 0 479.572 3.663 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(Br)cc1OC ZINC001312550778 1070007663 /nfs/dbraw/zinc/00/76/63/1070007663.db2.gz HCBIBCIEHWBQPW-DENIHFKCSA-N 1 0 476.415 3.794 20 0 JHADRO CN(C(=O)NCCc1ccc(OCC(F)(F)F)nc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001312550084 1070006955 /nfs/dbraw/zinc/00/69/55/1070006955.db2.gz JSBRLRBYDMUSTG-UHFFFAOYSA-N 1 0 456.431 3.623 20 0 JHADRO 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O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001312618768 1070047255 /nfs/dbraw/zinc/04/72/55/1070047255.db2.gz JBRKXBWLMXNQBP-FXAWDEMLSA-N 1 0 454.384 3.588 20 0 JHADRO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC001307549397 1070047396 /nfs/dbraw/zinc/04/73/96/1070047396.db2.gz AQQQXXIUONTMGT-SFHVURJKSA-N 1 0 450.023 3.727 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001314281167 1070045870 /nfs/dbraw/zinc/04/58/70/1070045870.db2.gz FFEXLFTYTMLKAU-NJDAHSKKSA-N 1 0 475.609 3.501 20 0 JHADRO CCOC(=O)c1sc([C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)nc1C ZINC001312629865 1070052516 /nfs/dbraw/zinc/05/25/16/1070052516.db2.gz WERYURDWBZXDNU-VQTJNVASSA-N 1 0 456.612 3.649 20 0 JHADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001307573548 1070059881 /nfs/dbraw/zinc/05/98/81/1070059881.db2.gz JQIZACVPCQQNSX-TZIWHRDSSA-N 1 0 452.382 3.558 20 0 JHADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001307571862 1070057897 /nfs/dbraw/zinc/05/78/97/1070057897.db2.gz OYCDERQCXMBFFF-QGZVFWFLSA-N 1 0 453.970 3.868 20 0 JHADRO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)c1ccccc1 ZINC001307572434 1070058976 /nfs/dbraw/zinc/05/89/76/1070058976.db2.gz XMBYQMQXQVKKEO-RYRKJORJSA-N 1 0 459.388 3.761 20 0 JHADRO CC(C)(C)CN1CCC[C@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1=O ZINC001307572478 1070059445 /nfs/dbraw/zinc/05/94/45/1070059445.db2.gz YVXBAQVGXKEBMW-KRWDZBQOSA-N 1 0 451.409 3.532 20 0 JHADRO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001307584822 1070063815 /nfs/dbraw/zinc/06/38/15/1070063815.db2.gz BGGPVCSHZLZTHL-INIZCTEOSA-N 1 0 450.555 3.831 20 0 JHADRO CCOCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001314287755 1070064147 /nfs/dbraw/zinc/06/41/47/1070064147.db2.gz MFQMEAVZRBCMPW-UHFFFAOYSA-N 1 0 485.673 3.838 20 0 JHADRO CN(CCC1CC[NH+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1)C(=O)OC(C)(C)C ZINC001307585147 1070064615 /nfs/dbraw/zinc/06/46/15/1070064615.db2.gz IXPFTSWDNDYFGD-XMMPIXPASA-N 1 0 455.640 3.717 20 0 JHADRO COc1cccc(CCC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1 ZINC001307585278 1070064735 /nfs/dbraw/zinc/06/47/35/1070064735.db2.gz KNBGDDNVJXJHOD-GGAORHGYSA-N 1 0 459.631 3.856 20 0 JHADRO C[C@H](NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC001312661590 1070068915 /nfs/dbraw/zinc/06/89/15/1070068915.db2.gz RZMPENMGCGLEHN-YTQUADARSA-N 1 0 454.562 3.869 20 0 JHADRO C[C@H](NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC001312661587 1070069155 /nfs/dbraw/zinc/06/91/55/1070069155.db2.gz RZMPENMGCGLEHN-WDSOQIARSA-N 1 0 454.562 3.869 20 0 JHADRO CCOCc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001314290505 1070070055 /nfs/dbraw/zinc/07/00/55/1070070055.db2.gz HLTNVGWDZCKBNR-UHFFFAOYSA-N 1 0 465.646 3.822 20 0 JHADRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1 ZINC001312664371 1070070079 /nfs/dbraw/zinc/07/00/79/1070070079.db2.gz BZAHMCKUGZFZIX-FQEVSTJZSA-N 1 0 450.027 3.569 20 0 JHADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC001307591938 1070070273 /nfs/dbraw/zinc/07/02/73/1070070273.db2.gz HXLPNPDFHVCHID-NRFANRHFSA-N 1 0 450.992 3.550 20 0 JHADRO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001307588627 1070067384 /nfs/dbraw/zinc/06/73/84/1070067384.db2.gz YTHOZVPOTNKKRD-TVZXLZGTSA-N 1 0 450.627 3.550 20 0 JHADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CCOCCN(C)C(=O)OC(C)(C)C)[NH+](C)C ZINC001312659025 1070067415 /nfs/dbraw/zinc/06/74/15/1070067415.db2.gz ICGXNIIFAQAXQB-PZJWPPBQSA-N 1 0 450.624 3.511 20 0 JHADRO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)[C@@H]2CCCC[C@@H]21 ZINC001307604868 1070078279 /nfs/dbraw/zinc/07/82/79/1070078279.db2.gz VOMOTJRJMIKGBI-CTUHWIOQSA-N 1 0 455.624 3.956 20 0 JHADRO CCOCc1ccccc1Cn1c(C(C)C)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001314295311 1070078415 /nfs/dbraw/zinc/07/84/15/1070078415.db2.gz JPDBNQAXCOXSMQ-DEOSSOPVSA-N 1 0 454.663 3.591 20 0 JHADRO CCOCc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)cc1 ZINC001314293865 1070076127 /nfs/dbraw/zinc/07/61/27/1070076127.db2.gz NAHQERIMTVLVES-IBGZPJMESA-N 1 0 453.587 3.588 20 0 JHADRO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@@H+]3CC[C@H](C(C)(C)C)C3)C2=O)cc1 ZINC001307603005 1070077873 /nfs/dbraw/zinc/07/78/73/1070077873.db2.gz LOJFLCSHNWQIFW-HJHGFDQJSA-N 1 0 459.612 3.606 20 0 JHADRO CCOCc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314298382 1070081717 /nfs/dbraw/zinc/08/17/17/1070081717.db2.gz VQJIBHBUHCDDEM-IBGZPJMESA-N 1 0 498.441 3.835 20 0 JHADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC001307613513 1070082230 /nfs/dbraw/zinc/08/22/30/1070082230.db2.gz SZUADPAFLRXDDM-GOSISDBHSA-N 1 0 453.564 3.511 20 0 JHADRO CCOCc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314298626 1070082186 /nfs/dbraw/zinc/08/21/86/1070082186.db2.gz QEEHVTCWCJSONR-BWKVVEIFSA-N 1 0 461.676 3.870 20 0 JHADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC001307615329 1070083150 /nfs/dbraw/zinc/08/31/50/1070083150.db2.gz IHIYTXBASUBCJA-HHCRUXKESA-N 1 0 455.555 3.760 20 0 JHADRO CCOCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001314301521 1070085667 /nfs/dbraw/zinc/08/56/67/1070085667.db2.gz PBYYQEOCKPPFCI-HXUWFJFHSA-N 1 0 474.531 3.987 20 0 JHADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Br)ccc1OCCO ZINC001307623959 1070086408 /nfs/dbraw/zinc/08/64/08/1070086408.db2.gz RRGSBVPQESUYEJ-HUUCEWRRSA-N 1 0 451.361 3.815 20 0 JHADRO CCOCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@](C)(O)c1ccco1 ZINC001314303390 1070089013 /nfs/dbraw/zinc/08/90/13/1070089013.db2.gz RNJRZWDDAUMMMQ-HXAGEGRHSA-N 1 0 467.614 3.805 20 0 JHADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC001307628612 1070088472 /nfs/dbraw/zinc/08/84/72/1070088472.db2.gz HBAKSFLBUQGBFT-FQEVSTJZSA-N 1 0 450.402 3.957 20 0 JHADRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1OCc1ccncc1 ZINC001307631418 1070090449 /nfs/dbraw/zinc/09/04/49/1070090449.db2.gz KYYLVFWLUPIQSG-WIYYLYMNSA-N 1 0 457.571 3.956 20 0 JHADRO CCOCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@H]1CCOC[C@H]1C ZINC001314304522 1070090618 /nfs/dbraw/zinc/09/06/18/1070090618.db2.gz YTNYRBFVTRGELB-LUGTWXOSSA-N 1 0 455.647 3.977 20 0 JHADRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1OC1CCCC1 ZINC001307633147 1070092419 /nfs/dbraw/zinc/09/24/19/1070092419.db2.gz VWNYTSPCPYAERO-OAHLLOKOSA-N 1 0 451.523 3.532 20 0 JHADRO C[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(Br)cc1 ZINC001307638573 1070094879 /nfs/dbraw/zinc/09/48/79/1070094879.db2.gz PJDCQDLAEYQRBY-QGZVFWFLSA-N 1 0 450.421 3.741 20 0 JHADRO C[C@@H]([NH2+][C@H](C)C(C)(C)c1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001307642477 1070097757 /nfs/dbraw/zinc/09/77/57/1070097757.db2.gz JERUYZPSTMWIEO-HZPDHXFCSA-N 1 0 452.020 3.873 20 0 JHADRO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001307648952 1070100977 /nfs/dbraw/zinc/10/09/77/1070100977.db2.gz CVZPKKUHMXLDJC-SJLPKXTDSA-N 1 0 459.509 3.827 20 0 JHADRO C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1=O ZINC001312757654 1070106849 /nfs/dbraw/zinc/10/68/49/1070106849.db2.gz QKLFDLSZQWKUHS-JPYJTQIMSA-N 1 0 458.553 3.790 20 0 JHADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)oc21 ZINC001307661238 1070108171 /nfs/dbraw/zinc/10/81/71/1070108171.db2.gz BEMRFCTVPAFJBR-MRXNPFEDSA-N 1 0 459.568 3.680 20 0 JHADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC001307668712 1070113563 /nfs/dbraw/zinc/11/35/63/1070113563.db2.gz SVBAANSOCWDLRA-PMACEKPBSA-N 1 0 450.670 3.931 20 0 JHADRO Cc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)C2)cc1 ZINC001307675090 1070117886 /nfs/dbraw/zinc/11/78/86/1070117886.db2.gz KSYAPALBIFBMHZ-JOCHJYFZSA-N 1 0 455.624 3.906 20 0 JHADRO CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC001312786668 1070120795 /nfs/dbraw/zinc/12/07/95/1070120795.db2.gz CJLGAYKIWUNIKP-KESTWPANSA-N 1 0 450.421 3.982 20 0 JHADRO COc1ccccc1C(=O)c1c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)sc2c1CCCC2 ZINC001307684662 1070124749 /nfs/dbraw/zinc/12/47/49/1070124749.db2.gz UDNCGAKAQQNGNL-VQIMIIECSA-N 1 0 456.608 3.946 20 0 JHADRO COc1ccc([C@H](CNC(=O)C[NH2+][C@@](C)(CO)c2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC001307691049 1070128313 /nfs/dbraw/zinc/12/83/13/1070128313.db2.gz BEHDXWQDIPRKIO-CUBQBAPOSA-N 1 0 457.574 3.922 20 0 JHADRO CC(C)(C)OC(=O)NC1(C)CC[NH+](C[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 ZINC001307691313 1070128333 /nfs/dbraw/zinc/12/83/33/1070128333.db2.gz ZUWSHPKNFYYUEC-HOYKHHGWSA-N 1 0 453.624 3.782 20 0 JHADRO CCOCc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314336298 1070130987 /nfs/dbraw/zinc/13/09/87/1070130987.db2.gz WECREKMLMGZMNW-SIKLNZKXSA-N 1 0 487.542 3.786 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC001312805297 1070133010 /nfs/dbraw/zinc/13/30/10/1070133010.db2.gz DHBAPFJZXZIZCB-NYVOZVTQSA-N 1 0 462.635 3.816 20 0 JHADRO Cc1ccc(N(C(=O)C[NH2+][C@@H](C)c2ccc3ncsc3c2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC001307698257 1070133479 /nfs/dbraw/zinc/13/34/79/1070133479.db2.gz CDEQMZJRXRNPRL-FXAWDEMLSA-N 1 0 455.605 3.908 20 0 JHADRO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001307700171 1070134221 /nfs/dbraw/zinc/13/42/21/1070134221.db2.gz ZRPKSFLIGNDYCD-WMZOPIPTSA-N 1 0 453.530 3.893 20 0 JHADRO O=C(C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001307704176 1070136015 /nfs/dbraw/zinc/13/60/15/1070136015.db2.gz AZNVUENXIHNXER-XJKSGUPXSA-N 1 0 452.304 3.657 20 0 JHADRO CC(C)Cc1ccc([C@H](CNC(=O)NCc2ccnc(N3CCSCC3)c2)[NH+](C)C)cc1 ZINC001312816384 1070139850 /nfs/dbraw/zinc/13/98/50/1070139850.db2.gz DIMWDFKYQHYWTI-QHCPKHFHSA-N 1 0 455.672 3.935 20 0 JHADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)N[C@@H]3COc4c(C)cccc4C3)CC2)c1C ZINC001312817496 1070140699 /nfs/dbraw/zinc/14/06/99/1070140699.db2.gz SPHOBYQCRZAUQT-NRFANRHFSA-N 1 0 452.599 3.625 20 0 JHADRO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)n[nH]1 ZINC001307720688 1070145873 /nfs/dbraw/zinc/14/58/73/1070145873.db2.gz HOJNYVFIIMMZSN-LJQANCHMSA-N 1 0 456.591 3.652 20 0 JHADRO CC(C)(COCc1ccccc1)[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001307718584 1070143464 /nfs/dbraw/zinc/14/34/64/1070143464.db2.gz BCAFMZXSFXBIQT-NRFANRHFSA-N 1 0 450.501 3.752 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001314342642 1070144290 /nfs/dbraw/zinc/14/42/90/1070144290.db2.gz WCNYQHWMTUTBIF-RBBKRZOGSA-N 1 0 486.661 3.811 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)C(C)(C)C ZINC001307718920 1070144366 /nfs/dbraw/zinc/14/43/66/1070144366.db2.gz FGCAUHRAXFIGLY-LLJLJFOGSA-N 1 0 455.640 3.932 20 0 JHADRO CCOCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@H](C)Sc1ccccc1 ZINC001314343004 1070145834 /nfs/dbraw/zinc/14/58/34/1070145834.db2.gz PVYJLHUARMGLMD-HXUWFJFHSA-N 1 0 459.660 3.544 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001314343987 1070147377 /nfs/dbraw/zinc/14/73/77/1070147377.db2.gz NPTDRQYPRJUTTO-WOJBJXKFSA-N 1 0 464.655 3.525 20 0 JHADRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(I)cc2)C1 ZINC001307732956 1070155788 /nfs/dbraw/zinc/15/57/88/1070155788.db2.gz SSQXZZKDWIULHX-AXUOBQJMSA-N 1 0 456.368 3.881 20 0 JHADRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307748720 1070164695 /nfs/dbraw/zinc/16/46/95/1070164695.db2.gz PEMCDGODSGZZJA-WOJBJXKFSA-N 1 0 453.624 3.735 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC001312884490 1070166312 /nfs/dbraw/zinc/16/63/12/1070166312.db2.gz HOYXASVWDVYSID-AOYPEHQESA-N 1 0 479.621 3.837 20 0 JHADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC001307752967 1070167512 /nfs/dbraw/zinc/16/75/12/1070167512.db2.gz CPOCNGDNGSWSHW-SFTDATJTSA-N 1 0 453.674 3.842 20 0 JHADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCc4ccc(Br)cc4C3)CC2)cc1 ZINC001307766798 1070175404 /nfs/dbraw/zinc/17/54/04/1070175404.db2.gz CWFXHHQMJHXKFO-UHFFFAOYSA-N 1 0 456.428 3.850 20 0 JHADRO COCC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1 ZINC001307770984 1070176136 /nfs/dbraw/zinc/17/61/36/1070176136.db2.gz ZXDDHQVIUHBIHN-HXUWFJFHSA-N 1 0 450.505 3.507 20 0 JHADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1(C(=O)OC(C)(C)C)CCOCC1 ZINC001312909875 1070176732 /nfs/dbraw/zinc/17/67/32/1070176732.db2.gz KRQAWPZSLRKDCY-QFIPXVFZSA-N 1 0 459.631 3.679 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314355306 1070176890 /nfs/dbraw/zinc/17/68/90/1070176890.db2.gz NLHMTTSKEJKXFS-FQEVSTJZSA-N 1 0 485.673 3.948 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314356245 1070176930 /nfs/dbraw/zinc/17/69/30/1070176930.db2.gz SJOVKFXIKSNDJS-PMACEKPBSA-N 1 0 471.646 3.582 20 0 JHADRO NC(=O)c1ccc(NC(=O)CC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)cc1Cl ZINC001307766775 1070174339 /nfs/dbraw/zinc/17/43/39/1070174339.db2.gz CCYCHPGSKWBHIQ-GOSISDBHSA-N 1 0 451.752 3.666 20 0 JHADRO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC001307774211 1070178604 /nfs/dbraw/zinc/17/86/04/1070178604.db2.gz SOGNGNWAPBCGED-BHDDXSALSA-N 1 0 456.631 3.983 20 0 JHADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)N[C@H](Cc1ccccc1)c1ncco1 ZINC001312917799 1070180431 /nfs/dbraw/zinc/18/04/31/1070180431.db2.gz IQGRALVMHGWTIL-XMMPIXPASA-N 1 0 453.631 3.796 20 0 JHADRO CCOCc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314358880 1070181451 /nfs/dbraw/zinc/18/14/51/1070181451.db2.gz OXGKPELOURADSZ-OPAMFIHVSA-N 1 0 481.567 3.697 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314360110 1070182956 /nfs/dbraw/zinc/18/29/56/1070182956.db2.gz IGCFTPKMOCHPCV-PMACEKPBSA-N 1 0 497.669 3.738 20 0 JHADRO CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C[NH2+][C@H]2CC3CCC2CC3)c1 ZINC001307791542 1070183677 /nfs/dbraw/zinc/18/36/77/1070183677.db2.gz CIWNESUUOOCWLK-QLOJAFMTSA-N 1 0 451.633 3.611 20 0 JHADRO CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@](C)(Cc2ccc(Cl)cc2)C(C)C)ccc1C ZINC001307791898 1070183758 /nfs/dbraw/zinc/18/37/58/1070183758.db2.gz UYTGXCDECYTYMM-JOCHJYFZSA-N 1 0 452.020 3.742 20 0 JHADRO COc1ccc(Cl)cc1CNC(=O)C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001307800545 1070187988 /nfs/dbraw/zinc/18/79/88/1070187988.db2.gz SUFUYWABLXRTHP-UHFFFAOYSA-N 1 0 451.995 3.688 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](c3ccnn3C)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001314364111 1070191235 /nfs/dbraw/zinc/19/12/35/1070191235.db2.gz ITSHAWNVWAOREN-QHCPKHFHSA-N 1 0 465.646 3.821 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001314366335 1070198070 /nfs/dbraw/zinc/19/80/70/1070198070.db2.gz ULZGUMBCYSEFHA-QTEQDKRBSA-N 1 0 488.702 3.700 20 0 JHADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001312956420 1070198046 /nfs/dbraw/zinc/19/80/46/1070198046.db2.gz APRBUGKVEGEWJF-BWKNWUBXSA-N 1 0 459.631 3.571 20 0 JHADRO O=C(CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC001307828408 1070203442 /nfs/dbraw/zinc/20/34/42/1070203442.db2.gz DEVMDRHNDRNPMA-FQEVSTJZSA-N 1 0 457.512 3.545 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001314367642 1070201357 /nfs/dbraw/zinc/20/13/57/1070201357.db2.gz MAESSJGPWIRTER-QGZVFWFLSA-N 1 0 453.509 3.668 20 0 JHADRO CC(C)(C)OC(=O)NCC1(CCNC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001312961995 1070201382 /nfs/dbraw/zinc/20/13/82/1070201382.db2.gz IQEMQZBSOIGOFX-BWKNWUBXSA-N 1 0 456.631 3.845 20 0 JHADRO COc1cc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c(Br)cc1O ZINC001312962568 1070201444 /nfs/dbraw/zinc/20/14/44/1070201444.db2.gz IIDWBIRWRVIOEK-UHFFFAOYSA-N 1 0 450.377 3.745 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](c3nc(C)c(C)s3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314368014 1070202738 /nfs/dbraw/zinc/20/27/38/1070202738.db2.gz RYCYWHNEACOAGY-AVRDEDQJSA-N 1 0 464.705 3.709 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CCCN1CCCCCC1=O ZINC001314368973 1070204341 /nfs/dbraw/zinc/20/43/41/1070204341.db2.gz XZBALWCPHOMINQ-HSZRJFAPSA-N 1 0 474.694 3.556 20 0 JHADRO CCOCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001314369492 1070205489 /nfs/dbraw/zinc/20/54/89/1070205489.db2.gz RUVUOGURFNXGHU-IBGZPJMESA-N 1 0 478.037 3.988 20 0 JHADRO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001307843270 1070208877 /nfs/dbraw/zinc/20/88/77/1070208877.db2.gz LLZSXZYKSKIYDO-UEVCKROQSA-N 1 0 456.631 3.875 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001314370030 1070206649 /nfs/dbraw/zinc/20/66/49/1070206649.db2.gz UFMZRYKYVBWGDB-FQEVSTJZSA-N 1 0 478.682 3.915 20 0 JHADRO Cc1ccc(CCNC(=O)N2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc1C ZINC001312982934 1070207234 /nfs/dbraw/zinc/20/72/34/1070207234.db2.gz BVRAZCRTKXNNQU-UHFFFAOYSA-N 1 0 450.627 3.516 20 0 JHADRO CC(C)N(C(=O)C[NH+]1CCC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1)C1CCCC1 ZINC001307839457 1070207388 /nfs/dbraw/zinc/20/73/88/1070207388.db2.gz HLUYOOQIMHJSBO-IRLDBZIGSA-N 1 0 451.652 3.950 20 0 JHADRO O=C(C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1)NCCc1cccc(Cl)c1Cl ZINC001307842677 1070208968 /nfs/dbraw/zinc/20/89/68/1070208968.db2.gz BNLRUOFREGFFOQ-JOCHJYFZSA-N 1 0 451.394 3.772 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001312988720 1070210971 /nfs/dbraw/zinc/21/09/71/1070210971.db2.gz QSYTUNXRELRXGV-NKRSRWBGSA-N 1 0 474.646 3.912 20 0 JHADRO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@@H](CC)[C@H]1CC1(C)C ZINC001307854324 1070212023 /nfs/dbraw/zinc/21/20/23/1070212023.db2.gz YTPFVJDEGSAYSZ-MOPGFXCFSA-N 1 0 451.633 3.613 20 0 JHADRO CC[C@H]([NH2+]CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)[C@@H]1CC1(C)C ZINC001307853347 1070212220 /nfs/dbraw/zinc/21/22/20/1070212220.db2.gz QNMMKGOACBAJCS-LGDQRBRTSA-N 1 0 450.004 3.907 20 0 JHADRO C[C@@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001312991089 1070213827 /nfs/dbraw/zinc/21/38/27/1070213827.db2.gz FQOILDBWBKPDSI-NLFFAJNJSA-N 1 0 459.631 3.502 20 0 JHADRO CCOCc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314376061 1070215774 /nfs/dbraw/zinc/21/57/74/1070215774.db2.gz KISVPHIYWOJLEU-FCHUYYIVSA-N 1 0 474.694 3.554 20 0 JHADRO CCOCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cccc(NC(=O)C2CCC2)c1 ZINC001314376733 1070217475 /nfs/dbraw/zinc/21/74/75/1070217475.db2.gz MTOJTKBZHJXDLB-UHFFFAOYSA-N 1 0 468.646 3.912 20 0 JHADRO CC(C)(C)OC(=O)[C@@H]1C[N@@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)C[C@H]1c1ccccc1 ZINC001307877097 1070219847 /nfs/dbraw/zinc/21/98/47/1070219847.db2.gz LBQACARRKDYYDS-BPUGDSSMSA-N 1 0 460.615 3.804 20 0 JHADRO CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001313024460 1070224780 /nfs/dbraw/zinc/22/47/80/1070224780.db2.gz YKZBDNFWOAKYCL-JOCHJYFZSA-N 1 0 455.599 3.631 20 0 JHADRO C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001307897330 1070229987 /nfs/dbraw/zinc/22/99/87/1070229987.db2.gz NEORSIHNVIONIZ-UWJYYQICSA-N 1 0 458.603 3.533 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCC(=O)NCC3CCCCC3)C2)C1 ZINC001307903842 1070232490 /nfs/dbraw/zinc/23/24/90/1070232490.db2.gz HQIZJTZLFNTRQM-BDTNDASRSA-N 1 0 451.652 3.857 20 0 JHADRO 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457.615 3.825 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC001307919771 1070241618 /nfs/dbraw/zinc/24/16/18/1070241618.db2.gz VGRWFFKFPIIYLN-FGZHOGPDSA-N 1 0 459.537 3.964 20 0 JHADRO COC(=O)CC1(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)CC1 ZINC001307920452 1070242511 /nfs/dbraw/zinc/24/25/11/1070242511.db2.gz CIKKGRMKHSGZFH-HKUYNNGSSA-N 1 0 450.551 3.860 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314391255 1070245897 /nfs/dbraw/zinc/24/58/97/1070245897.db2.gz WDPBTPWJGHZHAN-WIYYLYMNSA-N 1 0 487.649 3.596 20 0 JHADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001307929489 1070247099 /nfs/dbraw/zinc/24/70/99/1070247099.db2.gz WSJGUONPGNBOSA-WIYYLYMNSA-N 1 0 454.792 3.660 20 0 JHADRO CN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001313082148 1070244255 /nfs/dbraw/zinc/24/42/55/1070244255.db2.gz MSHWRBPYYRRHII-HWELCPFYSA-N 1 0 456.631 3.986 20 0 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CCOC[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001314436702 1070324278 /nfs/dbraw/zinc/32/42/78/1070324278.db2.gz OQSCXWASRHTOBP-KCZVDYSFSA-N 1 0 473.637 3.759 20 0 JHADRO COCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001308140564 1070325849 /nfs/dbraw/zinc/32/58/49/1070325849.db2.gz FNMWGIUUCLVMNU-UXHICEINSA-N 1 0 455.640 3.981 20 0 JHADRO C[N@H+](CCc1nccc(C(F)(F)F)n1)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O ZINC001308140502 1070326252 /nfs/dbraw/zinc/32/62/52/1070326252.db2.gz HGHBKLPEMPONPL-VQIMIIECSA-N 1 0 452.477 3.827 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001314440683 1070329310 /nfs/dbraw/zinc/32/93/10/1070329310.db2.gz ADXDIDXZOKVYFQ-OAQYLSRUSA-N 1 0 473.687 3.856 20 0 JHADRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CC(=O)Nc2cccc(I)c2)[C@H]1C ZINC001308155564 1070331001 /nfs/dbraw/zinc/33/10/01/1070331001.db2.gz KWYNEXWGMWQWKD-KHSSZTOVSA-N 1 0 458.340 3.528 20 0 JHADRO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@]1(CO)CC[C@@H](C)c3ccccc31)C[C@@H](C)CC2 ZINC001308156995 1070331934 /nfs/dbraw/zinc/33/19/34/1070331934.db2.gz AHHGWXKWZQDIJL-RVFQGNMQSA-N 1 0 456.608 3.973 20 0 JHADRO C[C@H]([NH2+][C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001308170744 1070334697 /nfs/dbraw/zinc/33/46/97/1070334697.db2.gz JLUHRZBISAPFJD-LLBUTXAOSA-N 1 0 457.575 3.609 20 0 JHADRO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c1C ZINC001308172525 1070335916 /nfs/dbraw/zinc/33/59/16/1070335916.db2.gz FKZNOIPWHLTDAR-KBMIEXCESA-N 1 0 458.603 3.968 20 0 JHADRO COc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1C ZINC001313358435 1070336747 /nfs/dbraw/zinc/33/67/47/1070336747.db2.gz IUENKLUYYUZOEZ-YADHBBJMSA-N 1 0 451.615 3.703 20 0 JHADRO C[N@@H+]1C[C@@H](CNC(=O)N2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)[C@H](c2ccccc2)C1 ZINC001313370379 1070339262 /nfs/dbraw/zinc/33/92/62/1070339262.db2.gz CFHBGXWFJDOBGT-PUHATCMVSA-N 1 0 455.002 3.589 20 0 JHADRO Cn1nc(-c2ccccc2)c(C[NH2+]CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1Cl ZINC001308211016 1070341005 /nfs/dbraw/zinc/34/10/05/1070341005.db2.gz FXXDANPREBVDFZ-UHFFFAOYSA-N 1 0 455.965 3.708 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3OCCN3CCOCC3)C[C@H]2C1 ZINC001308227620 1070343385 /nfs/dbraw/zinc/34/33/85/1070343385.db2.gz OQDNUXXYDHJIQF-VABKMULXSA-N 1 0 459.631 3.523 20 0 JHADRO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)CC1 ZINC001308248008 1070345689 /nfs/dbraw/zinc/34/56/89/1070345689.db2.gz NKITVMNUCAYSFV-UHFFFAOYSA-N 1 0 450.366 3.956 20 0 JHADRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC001308258798 1070347161 /nfs/dbraw/zinc/34/71/61/1070347161.db2.gz QOWHFBYJBFQQJT-CYBMUJFWSA-N 1 0 453.178 3.679 20 0 JHADRO CCOc1cc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc(Br)c1OC(F)F ZINC001308278042 1070350525 /nfs/dbraw/zinc/35/05/25/1070350525.db2.gz WOWZBURHWLVDOE-QWHCGFSZSA-N 1 0 456.349 3.895 20 0 JHADRO COc1cc(CN2CC[C@@H]([NH2+]Cc3ccccc3I)C2)cc(OC)c1 ZINC001308308257 1070354324 /nfs/dbraw/zinc/35/43/24/1070354324.db2.gz IYIBCMMPRIIMOG-QGZVFWFLSA-N 1 0 452.336 3.673 20 0 JHADRO CC[NH+](CC)CC[C@H](NC(=O)N1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1)c1ccccc1 ZINC001313416053 1070352691 /nfs/dbraw/zinc/35/26/91/1070352691.db2.gz QBBCZWHDUKOTQL-VXNXHJTFSA-N 1 0 451.615 3.674 20 0 JHADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2=O)n(C)n1 ZINC001308296228 1070352787 /nfs/dbraw/zinc/35/27/87/1070352787.db2.gz XLUMCOOWBPDDDL-ABAIWWIYSA-N 1 0 457.884 3.513 20 0 JHADRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC001308329892 1070357071 /nfs/dbraw/zinc/35/70/71/1070357071.db2.gz DZJKYLOHZALOHE-AUSIDOKSSA-N 1 0 456.587 3.794 20 0 JHADRO O=S(=O)(Nc1ccc(F)cc1)c1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC001308326331 1070357254 /nfs/dbraw/zinc/35/72/54/1070357254.db2.gz DHIJMLAVVZDTNR-UHFFFAOYSA-N 1 0 454.571 3.776 20 0 JHADRO CCOCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314457751 1070357990 /nfs/dbraw/zinc/35/79/90/1070357990.db2.gz VFPPHWAKUFVZLT-UHFFFAOYSA-N 1 0 477.053 3.599 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1nccs1 ZINC001313446474 1070363546 /nfs/dbraw/zinc/36/35/46/1070363546.db2.gz CQTLYSLKPYVUAT-SFHVURJKSA-N 1 0 456.616 3.930 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC ZINC001313446588 1070363945 /nfs/dbraw/zinc/36/39/45/1070363945.db2.gz CUNZYNIZHCJPBI-PXNSSMCTSA-N 1 0 468.067 3.732 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001313446757 1070364300 /nfs/dbraw/zinc/36/43/00/1070364300.db2.gz FIDVMNKLHGFAQL-SFTDATJTSA-N 1 0 470.618 3.543 20 0 JHADRO Cn1cc(C[NH2+]C[C@@H]2CCCN2Cc2ccc(I)cc2)c(C2CC2)n1 ZINC001308383559 1070365020 /nfs/dbraw/zinc/36/50/20/1070365020.db2.gz AHFGIOHVRVAXAJ-IBGZPJMESA-N 1 0 450.368 3.656 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001313446212 1070361500 /nfs/dbraw/zinc/36/15/00/1070361500.db2.gz AABYQTORXDSJCD-ZJOUEHCJSA-N 1 0 459.660 3.848 20 0 JHADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1 ZINC001308358676 1070361583 /nfs/dbraw/zinc/36/15/83/1070361583.db2.gz NBZPYBXCXGEKLN-UHFFFAOYSA-N 1 0 452.624 3.668 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001313446211 1070361749 /nfs/dbraw/zinc/36/17/49/1070361749.db2.gz AABYQTORXDSJCD-SBHAEUEKSA-N 1 0 459.660 3.848 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1scnc1C ZINC001313447132 1070365171 /nfs/dbraw/zinc/36/51/71/1070365171.db2.gz IFVNEFQKJXLNBD-IBGZPJMESA-N 1 0 488.683 3.624 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001313447386 1070367049 /nfs/dbraw/zinc/36/70/49/1070367049.db2.gz HPILEHPQKGCZOC-SFHVURJKSA-N 1 0 479.551 3.969 20 0 JHADRO CCCN1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313448182 1070370160 /nfs/dbraw/zinc/37/01/60/1070370160.db2.gz ZEXPEAGXOUOCGA-OAQYLSRUSA-N 1 0 482.673 3.655 20 0 JHADRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC001308403042 1070370399 /nfs/dbraw/zinc/37/03/99/1070370399.db2.gz ITRDANLUQSYMNG-GOSISDBHSA-N 1 0 451.995 3.560 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313448278 1070371156 /nfs/dbraw/zinc/37/11/56/1070371156.db2.gz QJNSRYVKSIHGOU-KRWDZBQOSA-N 1 0 467.536 3.722 20 0 JHADRO COc1cc(F)c(C[NH2+]C2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1OC ZINC001308411778 1070372487 /nfs/dbraw/zinc/37/24/87/1070372487.db2.gz GSLZSUIUWRLGGI-MRXNPFEDSA-N 1 0 450.576 3.562 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001313449031 1070373323 /nfs/dbraw/zinc/37/33/23/1070373323.db2.gz ULWFHNDFPOKXAZ-WMZOPIPTSA-N 1 0 465.440 3.773 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314464213 1070373708 /nfs/dbraw/zinc/37/37/08/1070373708.db2.gz BBLRRWAGMBBYQY-HXUWFJFHSA-N 1 0 486.455 3.757 20 0 JHADRO Cn1cc(C[NH2+]C[C@@H](O)c2ccccc2Br)c(-c2ccc3c(c2)OCCCO3)n1 ZINC001308436929 1070375590 /nfs/dbraw/zinc/37/55/90/1070375590.db2.gz DCSAPPNKVCRXDR-LJQANCHMSA-N 1 0 458.356 3.834 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@](C)(OC)C1 ZINC001313449758 1070375667 /nfs/dbraw/zinc/37/56/67/1070375667.db2.gz ZQHOZPFOWHBTHY-NBGIEHNGSA-N 1 0 457.619 3.842 20 0 JHADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)c1 ZINC001308439735 1070376077 /nfs/dbraw/zinc/37/60/77/1070376077.db2.gz VBQKTAHTKYFPJZ-UHFFFAOYSA-N 1 0 451.928 3.965 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001313450234 1070376275 /nfs/dbraw/zinc/37/62/75/1070376275.db2.gz VMNSJUWHJFJWHQ-WFXMLNOXSA-N 1 0 459.038 3.828 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CC)C1 ZINC001313450092 1070376741 /nfs/dbraw/zinc/37/67/41/1070376741.db2.gz IWPWHYMXKLNLQT-HKBOAZHASA-N 1 0 476.666 3.697 20 0 JHADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC[C@]2(O)CCCOC2)cc1OC ZINC001308454003 1070377303 /nfs/dbraw/zinc/37/73/03/1070377303.db2.gz UDGZZMGFWUSEAJ-AREMUKBSSA-N 1 0 451.567 3.637 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 ZINC001313451341 1070379470 /nfs/dbraw/zinc/37/94/70/1070379470.db2.gz XSGGPFVUUWQUDD-KNQAVFIVSA-N 1 0 451.619 3.716 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001313451629 1070380082 /nfs/dbraw/zinc/38/00/82/1070380082.db2.gz ZLXNFDVOABQORO-QHCPKHFHSA-N 1 0 458.695 3.970 20 0 JHADRO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNCc2cc(OC(F)F)ccc2Br)C1 ZINC001308478293 1070379912 /nfs/dbraw/zinc/37/99/12/1070379912.db2.gz HOXDAWIZEQBFKD-GOSISDBHSA-N 1 0 454.359 3.956 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001313451908 1070380807 /nfs/dbraw/zinc/38/08/07/1070380807.db2.gz CBDUCWQTJAWVIO-GHTZIAJQSA-N 1 0 457.541 3.503 20 0 JHADRO CCOCCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314473953 1070385051 /nfs/dbraw/zinc/38/50/51/1070385051.db2.gz BSVKKLZFRKQJAA-KDURUIRLSA-N 1 0 474.650 3.625 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NCc2cn(C)nc2Br)cc1 ZINC001308489305 1070380963 /nfs/dbraw/zinc/38/09/63/1070380963.db2.gz YUSGJVTXQUXJQZ-FCHUYYIVSA-N 1 0 455.400 3.949 20 0 JHADRO Cn1cc(C[NH2+][C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)c(-c2cc3ccccc3o2)n1 ZINC001308498343 1070381502 /nfs/dbraw/zinc/38/15/02/1070381502.db2.gz TYPIJSPGFACHBF-IBGZPJMESA-N 1 0 452.555 3.646 20 0 JHADRO CC(C)(C)OC(=O)CN1CCCC[C@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1=O ZINC001308498495 1070381689 /nfs/dbraw/zinc/38/16/89/1070381689.db2.gz YOXIYYRRMGOBKZ-NRFANRHFSA-N 1 0 450.023 3.617 20 0 JHADRO CCOCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCCCC1 ZINC001314471942 1070382309 /nfs/dbraw/zinc/38/23/09/1070382309.db2.gz FHSCHMHYOHQROK-FQEVSTJZSA-N 1 0 464.655 3.699 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313452239 1070382261 /nfs/dbraw/zinc/38/22/61/1070382261.db2.gz JDIOALUVOJBSOB-SFTDATJTSA-N 1 0 460.667 3.989 20 0 JHADRO COc1cc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)ccc1OCc1ccc(F)cc1 ZINC001308504150 1070383230 /nfs/dbraw/zinc/38/32/30/1070383230.db2.gz LDVGFXGBUPWMMH-UHFFFAOYSA-N 1 0 450.576 3.753 20 0 JHADRO COc1ccc(C[NH2+]C[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1OCc1cccnc1 ZINC001308511680 1070383483 /nfs/dbraw/zinc/38/34/83/1070383483.db2.gz CRQPPEDYWYALSI-VWLOTQADSA-N 1 0 457.571 3.785 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cc(OC)c(OC)cc1C ZINC001313452669 1070383460 /nfs/dbraw/zinc/38/34/60/1070383460.db2.gz JTKVKIJDOVTBCS-LEWJYISDSA-N 1 0 457.619 3.966 20 0 JHADRO CCOCCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314473956 1070385001 /nfs/dbraw/zinc/38/50/01/1070385001.db2.gz BSVKKLZFRKQJAA-OALUTQOASA-N 1 0 474.650 3.625 20 0 JHADRO COc1cc(C[NH2+][C@H]2CCN(C)[C@@H]2C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001308527289 1070386086 /nfs/dbraw/zinc/38/60/86/1070386086.db2.gz DLARUJBGIKHITM-QAPCUYQASA-N 1 0 451.489 3.914 20 0 JHADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC001308531856 1070386183 /nfs/dbraw/zinc/38/61/83/1070386183.db2.gz BMBWQYSJHNIIJM-NRFANRHFSA-N 1 0 452.356 3.859 20 0 JHADRO CCCn1nc(-c2nnc(N(C)[C@H]3CCSC3)n2CC[N@H+](C)[C@H](C)CC)c2ccccc2c1=O ZINC001313453865 1070386788 /nfs/dbraw/zinc/38/67/88/1070386788.db2.gz XHRZBJGAFBPPGO-MOPGFXCFSA-N 1 0 483.686 3.737 20 0 JHADRO Cn1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c(-c2ccc3c(c2)OCCCO3)n1 ZINC001308536106 1070387194 /nfs/dbraw/zinc/38/71/94/1070387194.db2.gz DQJPBRYLLQGNMA-NRFANRHFSA-N 1 0 456.587 3.984 20 0 JHADRO CCOc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)ccc1O[C@@H](C)C(=O)N(C)C ZINC001308548105 1070387625 /nfs/dbraw/zinc/38/76/25/1070387625.db2.gz MNRZDNSMPPFIAC-RNQOJCNYSA-N 1 0 461.603 3.571 20 0 JHADRO FC(F)(F)c1ccc(NCC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)nc1 ZINC001308556096 1070388639 /nfs/dbraw/zinc/38/86/39/1070388639.db2.gz SXICBRNTQNDKLF-UHFFFAOYSA-N 1 0 459.310 3.901 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[C@H](C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313455287 1070392109 /nfs/dbraw/zinc/39/21/09/1070392109.db2.gz LRPXHCUPOBCEHV-VQTJNVASSA-N 1 0 465.646 3.888 20 0 JHADRO CCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001314481517 1070394240 /nfs/dbraw/zinc/39/42/40/1070394240.db2.gz VSSOVRARXKPMHY-LJQANCHMSA-N 1 0 492.462 3.601 20 0 JHADRO COCCOCc1ccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1 ZINC001308590694 1070396841 /nfs/dbraw/zinc/39/68/41/1070396841.db2.gz AZAOTAICIUGTBI-SFHVURJKSA-N 1 0 452.551 3.664 20 0 JHADRO CCOCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001314484719 1070397558 /nfs/dbraw/zinc/39/75/58/1070397558.db2.gz ZOQXEBCJQAZPNE-OAQYLSRUSA-N 1 0 457.619 3.842 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2CCC(C)C)c2ccccc2c1=O ZINC001313457924 1070400697 /nfs/dbraw/zinc/40/06/97/1070400697.db2.gz AWKNBXXEOWMBST-LJQANCHMSA-N 1 0 451.619 3.642 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001313457367 1070398967 /nfs/dbraw/zinc/39/89/67/1070398967.db2.gz DBDANQIDFJAVHD-XZOQPEGZSA-N 1 0 452.647 3.809 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC[C@@H]3CSC)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313458008 1070401492 /nfs/dbraw/zinc/40/14/92/1070401492.db2.gz BUXWWUNAZFTLIU-LJQANCHMSA-N 1 0 483.686 3.737 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cnc4c(F)cccc4c3)C2)CC1 ZINC001308613143 1070401743 /nfs/dbraw/zinc/40/17/43/1070401743.db2.gz CDMASANOJNWJFR-FQEVSTJZSA-N 1 0 456.562 3.665 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCC[N@@H+]2CCC)C1 ZINC001313459295 1070405966 /nfs/dbraw/zinc/40/59/66/1070405966.db2.gz GSMTZOMXRZUJNV-DHIUTWEWSA-N 1 0 482.673 3.961 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)cc2OC)C[C@@H]1CC ZINC001314492716 1070405999 /nfs/dbraw/zinc/40/59/99/1070405999.db2.gz ANIAWNMOZXQHMO-FQEVSTJZSA-N 1 0 459.635 3.578 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CCN(CC)C(=O)OC(C)(C)C)C[C@@H]1CC ZINC001314494392 1070410077 /nfs/dbraw/zinc/41/00/77/1070410077.db2.gz QNWDMONBNYDLSC-FQEVSTJZSA-N 1 0 480.698 3.770 20 0 JHADRO CCOC(=O)Cn1cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(-c2ccccc2)n1 ZINC001308631592 1070407538 /nfs/dbraw/zinc/40/75/38/1070407538.db2.gz WORAYHFLEURBBT-FQEVSTJZSA-N 1 0 452.599 3.584 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@H]1CC ZINC001314495626 1070414675 /nfs/dbraw/zinc/41/46/75/1070414675.db2.gz JKTARNMTVWDODW-CEXWTWQISA-N 1 0 481.567 3.966 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CC(F)(F)C2)C[C@H]1CC ZINC001314496044 1070416283 /nfs/dbraw/zinc/41/62/83/1070416283.db2.gz GBFPSUNPGLCOAW-HXUWFJFHSA-N 1 0 463.573 3.936 20 0 JHADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC001308695851 1070420039 /nfs/dbraw/zinc/42/00/39/1070420039.db2.gz KCBSCSFIQCKCLQ-QGZVFWFLSA-N 1 0 452.393 3.962 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC001308693202 1070420339 /nfs/dbraw/zinc/42/03/39/1070420339.db2.gz ATDUSTWANYEOLA-ZIKOTGLESA-N 1 0 450.542 3.864 20 0 JHADRO CCCn1nc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313462453 1070420847 /nfs/dbraw/zinc/42/08/47/1070420847.db2.gz XFFCDIQBNWGLLU-JOCHJYFZSA-N 1 0 497.713 3.983 20 0 JHADRO CN(C)[C@H](C[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC001308702793 1070421954 /nfs/dbraw/zinc/42/19/54/1070421954.db2.gz FXBMJVCVBQCZJP-HXUWFJFHSA-N 1 0 458.569 3.887 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2OCCC2(C)C)C[C@H]1CC ZINC001314498973 1070425466 /nfs/dbraw/zinc/42/54/66/1070425466.db2.gz VHESQENETREHID-NHCUHLMSSA-N 1 0 461.676 3.683 20 0 JHADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC001308726443 1070426109 /nfs/dbraw/zinc/42/61/09/1070426109.db2.gz HMTYOBSNNCOHQN-KGLIPLIRSA-N 1 0 457.461 3.956 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2Cc2ncccc2C)C[C@@H]1CC ZINC001314499039 1070426192 /nfs/dbraw/zinc/42/61/92/1070426192.db2.gz IOYZUQSCIYGFID-DEOSSOPVSA-N 1 0 462.642 3.866 20 0 JHADRO Brc1cccc(OCC[N@@H+](Cc2cnc3n2CCOC3)C[C@H]2CCCS2)c1 ZINC001308728641 1070426909 /nfs/dbraw/zinc/42/69/09/1070426909.db2.gz KNQZTOGBJKDINR-LJQANCHMSA-N 1 0 452.418 3.952 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001313463926 1070427444 /nfs/dbraw/zinc/42/74/44/1070427444.db2.gz BRQWOXVBVIZESS-VXKWHMMOSA-N 1 0 482.673 3.818 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001313463984 1070427465 /nfs/dbraw/zinc/42/74/65/1070427465.db2.gz FITFTAMJCLFOFG-PKTZIBPZSA-N 1 0 478.641 3.816 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001313463985 1070427482 /nfs/dbraw/zinc/42/74/82/1070427482.db2.gz FITFTAMJCLFOFG-XZOQPEGZSA-N 1 0 478.641 3.816 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1CC ZINC001314499599 1070427940 /nfs/dbraw/zinc/42/79/40/1070427940.db2.gz POIHVKJZGVSNSF-HNNXBMFYSA-N 1 0 489.974 3.547 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCSC2(C)C)C[C@@H]1CC ZINC001314499793 1070429018 /nfs/dbraw/zinc/42/90/18/1070429018.db2.gz OIGJXVHWDLVIJB-VXKWHMMOSA-N 1 0 472.703 3.733 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC001308744311 1070429364 /nfs/dbraw/zinc/42/93/64/1070429364.db2.gz RWUVNTPJVHBJEN-IBGZPJMESA-N 1 0 450.523 3.846 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CCCC3)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1CC ZINC001314500149 1070429660 /nfs/dbraw/zinc/42/96/60/1070429660.db2.gz SYCNVWBWFVUIBX-JOCHJYFZSA-N 1 0 474.694 3.521 20 0 JHADRO CCn1c(Br)c(Br)nc1CN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC001308753250 1070430982 /nfs/dbraw/zinc/43/09/82/1070430982.db2.gz MXJUERGIEQVVKU-HNNXBMFYSA-N 1 0 456.226 3.787 20 0 JHADRO CCOCCOCc1cccc(Cn2c(-c3ccccn3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001314501535 1070433810 /nfs/dbraw/zinc/43/38/10/1070433810.db2.gz IQJDPMTZRVTMJV-UHFFFAOYSA-N 1 0 478.641 3.862 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH+]3CCC(CO)(c4ccccc4)CC3)o2)CC1 ZINC001308789807 1070437965 /nfs/dbraw/zinc/43/79/65/1070437965.db2.gz ALBHDOOUNRVORC-UHFFFAOYSA-N 1 0 455.599 3.863 20 0 JHADRO Cc1ccc(C[C@H](CO)C[NH2+]C2CC3(C[C@H]3NC(=O)OC(C)(C)C)C2)cc1Br ZINC001308770735 1070435152 /nfs/dbraw/zinc/43/51/52/1070435152.db2.gz UXDHCUSBLABRRH-KJUWTFRMSA-N 1 0 453.421 3.944 20 0 JHADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC001308796407 1070438773 /nfs/dbraw/zinc/43/87/73/1070438773.db2.gz QKMIIEGHGYLQJJ-IBGZPJMESA-N 1 0 458.603 3.942 20 0 JHADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC001308796715 1070438835 /nfs/dbraw/zinc/43/88/35/1070438835.db2.gz VMZTWQKADCKQHU-CQSZACIVSA-N 1 0 459.310 3.834 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)c2nc(C)cs2)C[C@H]1CC ZINC001314503303 1070439531 /nfs/dbraw/zinc/43/95/31/1070439531.db2.gz PAVRUIMEGCISIQ-MISYRCLQSA-N 1 0 462.664 3.635 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC[N@H+](CCC)C2)C1 ZINC001313467403 1070443272 /nfs/dbraw/zinc/44/32/72/1070443272.db2.gz YOYGTDPGJCLJKS-VWNXMTODSA-N 1 0 466.674 3.652 20 0 JHADRO COC(=O)c1cc(Br)oc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001308812830 1070442110 /nfs/dbraw/zinc/44/21/10/1070442110.db2.gz ZRIZIQKKHVHXHI-BFHYXJOUSA-N 1 0 457.365 3.954 20 0 JHADRO Cc1ccc(Br)c(C[NH2+]C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)c1 ZINC001308822891 1070443543 /nfs/dbraw/zinc/44/35/43/1070443543.db2.gz MXXLNFYIJSLUQM-INIZCTEOSA-N 1 0 454.409 3.610 20 0 JHADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(F)ccc1Oc1ccc(Br)cc1 ZINC001308832578 1070444176 /nfs/dbraw/zinc/44/41/76/1070444176.db2.gz AGQKHEQKPRHPIA-HNNXBMFYSA-N 1 0 450.352 3.932 20 0 JHADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC001308847713 1070447582 /nfs/dbraw/zinc/44/75/82/1070447582.db2.gz FOEQRCDCZBADGC-HXUWFJFHSA-N 1 0 456.587 3.908 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H](O)c2cccc3ccccc32)cnn1C ZINC001308860329 1070450661 /nfs/dbraw/zinc/45/06/61/1070450661.db2.gz PNAGQIJWDQXHIW-YADARESESA-N 1 0 452.599 3.888 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001314507295 1070454532 /nfs/dbraw/zinc/45/45/32/1070454532.db2.gz WLUDXMOGTNEKCF-BJKOFHAPSA-N 1 0 469.674 3.930 20 0 JHADRO C[NH+](C)Cc1ccc(CN2CCN(c3cc(C(F)(F)F)ccn3)CC2)c2c1OC(F)(F)O2 ZINC001308878858 1070453327 /nfs/dbraw/zinc/45/33/27/1070453327.db2.gz NHRNNESWMJDANU-UHFFFAOYSA-N 1 0 458.431 3.806 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001314508153 1070457323 /nfs/dbraw/zinc/45/73/23/1070457323.db2.gz NMJNNWRQDSPPID-FQEVSTJZSA-N 1 0 475.703 3.890 20 0 JHADRO COC(=O)c1[nH]c2ccccc2c1C[N@H+]1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)OC(C)(C)C)C1 ZINC001308906960 1070457656 /nfs/dbraw/zinc/45/76/56/1070457656.db2.gz HSQGTSXGJVBBNS-IRXDYDNUSA-N 1 0 452.555 3.635 20 0 JHADRO CC(C)(C)OC(=O)CN1CCC([NH2+][C@@H]2CC[C@@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001308904758 1070457697 /nfs/dbraw/zinc/45/76/97/1070457697.db2.gz SJRBMQVCVAAHBN-HMXCVIKNSA-N 1 0 451.652 3.950 20 0 JHADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001308926663 1070460646 /nfs/dbraw/zinc/46/06/46/1070460646.db2.gz YSYQNRWFMAZCSQ-KRWDZBQOSA-N 1 0 450.649 3.512 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3cc(OC)c(O)c(OC)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308908311 1070458056 /nfs/dbraw/zinc/45/80/56/1070458056.db2.gz YIYWUOLPSGUGBP-VQTJNVASSA-N 1 0 458.555 3.911 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3cnc(NC(=O)OC(C)(C)C)cn3)C2)O1 ZINC001308914991 1070459030 /nfs/dbraw/zinc/45/90/30/1070459030.db2.gz REFMJOKXIXUKJE-KBMIEXCESA-N 1 0 453.587 3.689 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](Cc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC001308961681 1070466987 /nfs/dbraw/zinc/46/69/87/1070466987.db2.gz ZACJMEQGCIKZIP-LJQANCHMSA-N 1 0 451.633 3.583 20 0 JHADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001308934501 1070462065 /nfs/dbraw/zinc/46/20/65/1070462065.db2.gz CMTSUMISSGEPFE-UYAOXDASSA-N 1 0 454.656 3.601 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001313472428 1070467192 /nfs/dbraw/zinc/46/71/92/1070467192.db2.gz ZUMYCYGRQVTMPK-UHFFFAOYSA-N 1 0 452.647 3.810 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001313472912 1070468492 /nfs/dbraw/zinc/46/84/92/1070468492.db2.gz NNHXDDPXMIRHHY-YADHBBJMSA-N 1 0 460.667 3.527 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001313474647 1070472545 /nfs/dbraw/zinc/47/25/45/1070472545.db2.gz JIJLOGVTLXGDCE-UHFFFAOYSA-N 1 0 496.700 3.742 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001313472911 1070468643 /nfs/dbraw/zinc/46/86/43/1070468643.db2.gz NNHXDDPXMIRHHY-VXKWHMMOSA-N 1 0 460.667 3.527 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+][C@H]3CCN(c4cn[nH]c(=O)c4Cl)C3)CC[C@@H]21 ZINC001308973048 1070469411 /nfs/dbraw/zinc/46/94/11/1070469411.db2.gz UXXDRTFGQDFDHG-NCOADZHNSA-N 1 0 451.999 3.572 20 0 JHADRO CC(C)(C)OC(=O)CN(C[C@H]1CCC[N@H+](Cc2cnc3cnccn23)C1)C(=O)OC(C)(C)C ZINC001308985480 1070471079 /nfs/dbraw/zinc/47/10/79/1070471079.db2.gz BUFAPIIBCVUMJZ-SFHVURJKSA-N 1 0 459.591 3.520 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001314515551 1070486672 /nfs/dbraw/zinc/48/66/72/1070486672.db2.gz HPXMFVXEVMCVFN-MSOLQXFVSA-N 1 0 468.067 3.590 20 0 JHADRO COc1ccc(Br)c(CS(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001309022209 1070489093 /nfs/dbraw/zinc/48/90/93/1070489093.db2.gz FCXVYMVIVBPCQS-UHFFFAOYSA-N 1 0 453.402 3.673 20 0 JHADRO CCCNC(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001313481615 1070494572 /nfs/dbraw/zinc/49/45/72/1070494572.db2.gz SQHSXJGRIUXMGG-UHFFFAOYSA-N 1 0 458.626 3.634 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001314522051 1070509506 /nfs/dbraw/zinc/50/95/06/1070509506.db2.gz DBWCPGYDSYPEBP-GOSISDBHSA-N 1 0 468.067 3.590 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001313493922 1070514773 /nfs/dbraw/zinc/51/47/73/1070514773.db2.gz YCRIOFOSNTYDSN-YADHBBJMSA-N 1 0 452.647 3.871 20 0 JHADRO CCCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001313493989 1070514958 /nfs/dbraw/zinc/51/49/58/1070514958.db2.gz WHCCEVDLKHTLEM-UHFFFAOYSA-N 1 0 475.641 3.523 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CC2([S@](C)=O)CC2)cc1OC ZINC001313501692 1070525905 /nfs/dbraw/zinc/52/59/05/1070525905.db2.gz FZAKKLVWDUURCG-UOUAWPSHSA-N 1 0 489.686 3.573 20 0 JHADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)C1 ZINC001309088487 1070532330 /nfs/dbraw/zinc/53/23/30/1070532330.db2.gz ZRYNBEMRHIDUAB-JXNNMWDUSA-N 1 0 477.671 3.749 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2Cc2c(C)nn(C)c2C)cc1OC ZINC001313504100 1070536676 /nfs/dbraw/zinc/53/66/76/1070536676.db2.gz LXJNAFAZMHAPPY-SFHVURJKSA-N 1 0 481.645 3.672 20 0 JHADRO C[NH+]1CCC2(CC1)C[C@H](NS(=O)(=O)c1cc(F)ccc1OC(F)F)c1ccccc1O2 ZINC001309101943 1070541274 /nfs/dbraw/zinc/54/12/74/1070541274.db2.gz UWOHWVLDVFWSMN-INIZCTEOSA-N 1 0 456.486 3.694 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCC(=O)NC(C)(C)C)cc1OC ZINC001313505144 1070541380 /nfs/dbraw/zinc/54/13/80/1070541380.db2.gz XIFDNMBHURXPKO-PZJWPPBQSA-N 1 0 498.672 3.720 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2CC(=O)NC2CCCCC2)cc1OC ZINC001313505277 1070542499 /nfs/dbraw/zinc/54/24/99/1070542499.db2.gz QDOBKFKXTHYUKA-FQEVSTJZSA-N 1 0 498.672 3.722 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2C[C@@](C)(O)CC)cc1OC ZINC001313506185 1070545538 /nfs/dbraw/zinc/54/55/38/1070545538.db2.gz VEQPUPOLCLYBCZ-CPJSRVTESA-N 1 0 457.619 3.578 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2CCC[NH+]2CCCC2)cc1OC ZINC001313506954 1070551102 /nfs/dbraw/zinc/55/11/02/1070551102.db2.gz VHIQASXDCPXYRE-HXUWFJFHSA-N 1 0 457.619 3.844 20 0 JHADRO CCCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CC3CCOCC3)CC2)cn1 ZINC001313510041 1070558932 /nfs/dbraw/zinc/55/89/32/1070558932.db2.gz JQPHMBLEOJRNRS-UHFFFAOYSA-N 1 0 470.662 3.647 20 0 JHADRO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2cc(N(C)C)ccc2Br)c1 ZINC001309153396 1070572162 /nfs/dbraw/zinc/57/21/62/1070572162.db2.gz DYNBXMXJBOUECK-UHFFFAOYSA-N 1 0 454.434 3.576 20 0 JHADRO CCCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC001313515317 1070573628 /nfs/dbraw/zinc/57/36/28/1070573628.db2.gz GTOSVOKHKOPHEA-HXUWFJFHSA-N 1 0 464.614 3.640 20 0 JHADRO CC[S@@](=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001314568883 1070573911 /nfs/dbraw/zinc/57/39/11/1070573911.db2.gz KXYUMYBCZIJBBP-ULKXQASOSA-N 1 0 475.678 3.725 20 0 JHADRO CCCOc1cccc(CCn2c(-c3cnn(C)c3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001313515640 1070574265 /nfs/dbraw/zinc/57/42/65/1070574265.db2.gz LRYGTTKZLAMORJ-UHFFFAOYSA-N 1 0 451.619 3.677 20 0 JHADRO CCCOc1cccc(CCn2c(-c3cnn(C)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001313517971 1070581505 /nfs/dbraw/zinc/58/15/05/1070581505.db2.gz XUBWASBBVNQWNM-UHFFFAOYSA-N 1 0 451.619 3.631 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001314577352 1070586535 /nfs/dbraw/zinc/58/65/35/1070586535.db2.gz PDDHSHQDNUWNTC-ZIAGYGMSSA-N 1 0 465.027 3.777 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001313523168 1070594206 /nfs/dbraw/zinc/59/42/06/1070594206.db2.gz NCEQWGREYZRJHH-NHCUHLMSSA-N 1 0 488.702 3.930 20 0 JHADRO CC[S@](=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001314580092 1070591398 /nfs/dbraw/zinc/59/13/98/1070591398.db2.gz QXYDVPIVSAXLMU-UMSFTDKQSA-N 1 0 487.714 3.945 20 0 JHADRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2csnc2-c2ccccc2)CCOCC1)c1ccccc1 ZINC001309184686 1070591892 /nfs/dbraw/zinc/59/18/92/1070591892.db2.gz RVBGMBHWYXMYEI-GOSISDBHSA-N 1 0 457.621 3.988 20 0 JHADRO CCSc1cc(Cn2c(C(C)C)nnc2N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccn1 ZINC001314582802 1070597314 /nfs/dbraw/zinc/59/73/14/1070597314.db2.gz GPTXSGFCQOTFNV-OAQYLSRUSA-N 1 0 457.692 3.562 20 0 JHADRO CCSc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)ccn1 ZINC001314583376 1070598430 /nfs/dbraw/zinc/59/84/30/1070598430.db2.gz MBNHBAPQQNNSIS-UHFFFAOYSA-N 1 0 485.702 3.672 20 0 JHADRO CCS[C@H]1CC[C@@H](N(C)c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCC2)C1 ZINC001314587402 1070610857 /nfs/dbraw/zinc/61/08/57/1070610857.db2.gz AMONFPFXTJUNSA-MOPGFXCFSA-N 1 0 457.648 3.522 20 0 JHADRO CCSc1cc(Cn2c(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)nnc2C(C)(C)C)ccn1 ZINC001314588206 1070612846 /nfs/dbraw/zinc/61/28/46/1070612846.db2.gz FYCBHSYSNLSOPS-OAQYLSRUSA-N 1 0 471.719 3.736 20 0 JHADRO O=S(=O)(N[C@@H](CO)c1cccc(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309214213 1070613002 /nfs/dbraw/zinc/61/30/02/1070613002.db2.gz YAEKAJIBLFVRGS-CCDWMCETSA-N 1 0 472.557 3.586 20 0 JHADRO CCC[C@@H]1C[C@H]1n1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001313536801 1070629960 /nfs/dbraw/zinc/62/99/60/1070629960.db2.gz LBCWQYLDLMQOIL-HDMKZQKVSA-N 1 0 451.413 3.554 20 0 JHADRO CCS[C@H]1CC[C@H](N(C)c2nnc(Cc3csc(C)n3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001314595183 1070635012 /nfs/dbraw/zinc/63/50/12/1070635012.db2.gz LUMFULMCSAGPMM-SFTDATJTSA-N 1 0 491.775 3.770 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001314596989 1070639836 /nfs/dbraw/zinc/63/98/36/1070639836.db2.gz IDDXLPOSAMMLCH-NHCUHLMSSA-N 1 0 462.708 3.891 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001314597274 1070641269 /nfs/dbraw/zinc/64/12/69/1070641269.db2.gz ULHFFTIERRKVIT-FGZHOGPDSA-N 1 0 472.703 3.997 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001314602958 1070657224 /nfs/dbraw/zinc/65/72/24/1070657224.db2.gz HVHONCFFBAPPOE-QHAWAJNXSA-N 1 0 474.650 3.783 20 0 JHADRO CCN(C)C(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001313548183 1070661808 /nfs/dbraw/zinc/66/18/08/1070661808.db2.gz ZJEPMONMHMHEPU-HXUWFJFHSA-N 1 0 491.080 3.945 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001314606695 1070664533 /nfs/dbraw/zinc/66/45/33/1070664533.db2.gz GVXMXOLQAKJSCE-NHCUHLMSSA-N 1 0 462.708 3.633 20 0 JHADRO CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001313561030 1070678496 /nfs/dbraw/zinc/67/84/96/1070678496.db2.gz KFBFWHGYDRJYDO-QGZVFWFLSA-N 1 0 450.425 3.973 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC3CCCC3)nnc2N2CCC(CC(N)=O)CC2)c1 ZINC001313573756 1070688330 /nfs/dbraw/zinc/68/83/30/1070688330.db2.gz HDWDDSNWGXWMOI-UHFFFAOYSA-N 1 0 452.647 3.603 20 0 JHADRO CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001313569502 1070683292 /nfs/dbraw/zinc/68/32/92/1070683292.db2.gz OXXAZLIYOUOUGD-SFTDATJTSA-N 1 0 472.634 3.654 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)[C@H](C)C2)c1 ZINC001313575529 1070691286 /nfs/dbraw/zinc/69/12/86/1070691286.db2.gz PZACPKISCYRGOV-KDURUIRLSA-N 1 0 466.655 3.862 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001313575849 1070692112 /nfs/dbraw/zinc/69/21/12/1070692112.db2.gz UDSTVINMPPXXTD-HSZRJFAPSA-N 1 0 473.687 3.524 20 0 JHADRO CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1)C1CC1 ZINC001313577666 1070696137 /nfs/dbraw/zinc/69/61/37/1070696137.db2.gz QQSFVECNVKZJNU-LJQANCHMSA-N 1 0 459.038 3.971 20 0 JHADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2cccc(N(C)C)n2)cc1 ZINC001309325706 1070700852 /nfs/dbraw/zinc/70/08/52/1070700852.db2.gz FUGYDXCIWGCBCN-LOSJGSFVSA-N 1 0 464.635 3.544 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314620141 1070697715 /nfs/dbraw/zinc/69/77/15/1070697715.db2.gz JNIKIYBRFMVJAW-HXUWFJFHSA-N 1 0 498.676 3.693 20 0 JHADRO COC(=O)c1ccc(S(=O)(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001309323751 1070698801 /nfs/dbraw/zinc/69/88/01/1070698801.db2.gz WHZAWZUSBTZLKU-SJLPKXTDSA-N 1 0 450.988 3.706 20 0 JHADRO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[N@@H+](C(C)C)C1)C(C)C ZINC001313581974 1070702629 /nfs/dbraw/zinc/70/26/29/1070702629.db2.gz KYWLNMOUXQVRSR-HXUWFJFHSA-N 1 0 475.707 3.902 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001314624118 1070708066 /nfs/dbraw/zinc/70/80/66/1070708066.db2.gz MVKIPMQUYZNRFR-NHCUHLMSSA-N 1 0 492.709 3.549 20 0 JHADRO CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[N@H+](CC(C)C)C1)C1CC1 ZINC001313584478 1070708833 /nfs/dbraw/zinc/70/88/33/1070708833.db2.gz JGVYATUBOLDODD-IBGZPJMESA-N 1 0 459.660 3.705 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCCC2)C1 ZINC001314624421 1070709616 /nfs/dbraw/zinc/70/96/16/1070709616.db2.gz QJDFNYLBNZGVNY-IBGZPJMESA-N 1 0 490.052 3.925 20 0 JHADRO CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)C[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313585796 1070710619 /nfs/dbraw/zinc/71/06/19/1070710619.db2.gz CMBSSYQXFZTLQN-REWPJTCUSA-N 1 0 487.714 3.988 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(Cc2ccccc2F)nnc1N(C)C1CCCCC1 ZINC001314627879 1070722301 /nfs/dbraw/zinc/72/23/01/1070722301.db2.gz DCJGNFRZNKBNPD-QHCPKHFHSA-N 1 0 470.637 3.720 20 0 JHADRO CCN(c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCCC(C)(C)C1)C(C)C ZINC001313599092 1070723624 /nfs/dbraw/zinc/72/36/24/1070723624.db2.gz UGOVXAUVRASMGH-UHFFFAOYSA-N 1 0 451.619 3.549 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(F)(F)CC1 ZINC001314629092 1070725995 /nfs/dbraw/zinc/72/59/95/1070725995.db2.gz MZTZJBQLPYNNFL-IBGZPJMESA-N 1 0 480.991 3.777 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1ccccn1 ZINC001314629124 1070726129 /nfs/dbraw/zinc/72/61/29/1070726129.db2.gz NHKDOARIIRZKDY-JOCHJYFZSA-N 1 0 482.032 3.573 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N2CCc3cc(Cl)ccc3C2)nnc1C(C)(C)C ZINC001314629695 1070728075 /nfs/dbraw/zinc/72/80/75/1070728075.db2.gz RQARDAAPCZDJCW-NRFANRHFSA-N 1 0 473.065 3.734 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N2CCc3cc(Cl)ccc3C2)nnc1C(C)(C)C ZINC001314629696 1070728274 /nfs/dbraw/zinc/72/82/74/1070728274.db2.gz RQARDAAPCZDJCW-OAQYLSRUSA-N 1 0 473.065 3.734 20 0 JHADRO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001309389492 1070740219 /nfs/dbraw/zinc/74/02/19/1070740219.db2.gz BWXZFFSKHUANFA-BZSNNMDCSA-N 1 0 457.036 3.687 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CO)CC1)C1CCCCC1 ZINC001314647212 1070748714 /nfs/dbraw/zinc/74/87/14/1070748714.db2.gz NWKNNSJIXOBAFA-HXUWFJFHSA-N 1 0 479.467 3.755 20 0 JHADRO CN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCSC1 ZINC001314647110 1070748730 /nfs/dbraw/zinc/74/87/30/1070748730.db2.gz LHCHLOCUWVSIEJ-IRLDBZIGSA-N 1 0 491.727 3.801 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001314649080 1070754164 /nfs/dbraw/zinc/75/41/64/1070754164.db2.gz RGWLJHCPKSACGA-OFNKIYASSA-N 1 0 491.677 3.998 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC=C(Br)C1)c1cccs1 ZINC001314649380 1070755324 /nfs/dbraw/zinc/75/53/24/1070755324.db2.gz AHHPRGNHLHBGSF-GDBMZVCRSA-N 1 0 452.422 3.635 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001313627068 1070756649 /nfs/dbraw/zinc/75/66/49/1070756649.db2.gz QBCDOYCBAMFMSP-FQEVSTJZSA-N 1 0 451.623 3.668 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1ccco1 ZINC001314649598 1070756883 /nfs/dbraw/zinc/75/68/83/1070756883.db2.gz NCQIOKPCAOGVNL-LAUBAEHRSA-N 1 0 466.508 3.699 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)c1ccccc1 ZINC001314650292 1070758555 /nfs/dbraw/zinc/75/85/55/1070758555.db2.gz HNHWTVCISRYMBH-RBUKOAKNSA-N 1 0 480.579 3.674 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC1)c1ccccc1 ZINC001314650895 1070759921 /nfs/dbraw/zinc/75/99/21/1070759921.db2.gz MQNQBOZFKXFWKG-QFIPXVFZSA-N 1 0 484.645 3.532 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCCN(CC(F)(F)F)CC1)c1cccc(F)c1 ZINC001314651645 1070761309 /nfs/dbraw/zinc/76/13/09/1070761309.db2.gz WGVVCGIVSYXQOE-NRFANRHFSA-N 1 0 491.537 3.857 20 0 JHADRO CCN(CC(C)C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313630758 1070761659 /nfs/dbraw/zinc/76/16/59/1070761659.db2.gz HPFYRROYTLWMJR-OYRHEFFESA-N 1 0 467.662 3.887 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C2CCC2)nnc1N1CCCN(CC(F)(F)F)CC1)c1cccs1 ZINC001314651773 1070761983 /nfs/dbraw/zinc/76/19/83/1070761983.db2.gz SAWDSMMYXGIFSQ-KRWDZBQOSA-N 1 0 456.582 3.984 20 0 JHADRO C[NH+](C)[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC001314652129 1070762329 /nfs/dbraw/zinc/76/23/29/1070762329.db2.gz DIVPXDNRDWPZGX-ZJSXRUAMSA-N 1 0 496.700 3.977 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314652051 1070762423 /nfs/dbraw/zinc/76/24/23/1070762423.db2.gz CCTRDTJBVWWHJZ-YADHBBJMSA-N 1 0 486.636 3.626 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccsc1 ZINC001314652601 1070763451 /nfs/dbraw/zinc/76/34/51/1070763451.db2.gz VQEMXVZFRPMGAU-VQTJNVASSA-N 1 0 490.674 3.941 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCCC1 ZINC001314653411 1070765873 /nfs/dbraw/zinc/76/58/73/1070765873.db2.gz NWTQMINSIMZYIV-INIZCTEOSA-N 1 0 486.469 3.750 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N(CCO)Cc2ccccc2)CCCC1 ZINC001314654242 1070768425 /nfs/dbraw/zinc/76/84/25/1070768425.db2.gz XYJJRMHYDPVGOH-UHFFFAOYSA-N 1 0 455.006 3.867 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1ccco1 ZINC001314654795 1070770241 /nfs/dbraw/zinc/77/02/41/1070770241.db2.gz HXKJPPOQHDOCEO-FCHUYYIVSA-N 1 0 493.656 3.539 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC001314654705 1070770270 /nfs/dbraw/zinc/77/02/70/1070770270.db2.gz LEUQWYUINNYXEX-LPHOPBHVSA-N 1 0 489.045 3.821 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccco1 ZINC001314654801 1070770347 /nfs/dbraw/zinc/77/03/47/1070770347.db2.gz HXKJPPOQHDOCEO-YADHBBJMSA-N 1 0 493.656 3.539 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC2CC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC001314655378 1070772103 /nfs/dbraw/zinc/77/21/03/1070772103.db2.gz POSYHBWLZATCDM-UYAOXDASSA-N 1 0 474.675 3.946 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC001314655593 1070772623 /nfs/dbraw/zinc/77/26/23/1070772623.db2.gz QTSHDCSVJFBQSN-UNMCSNQZSA-N 1 0 466.655 3.520 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001314655893 1070774002 /nfs/dbraw/zinc/77/40/02/1070774002.db2.gz UTMOTRYJUZBJIB-FGZHOGPDSA-N 1 0 452.647 3.665 20 0 JHADRO C[NH+](C)C1(Cn2c(N3CC[C@@H](NC(=O)Nc4ccc(F)cc4)C3)nnc2C(C)(C)C)CCC1 ZINC001314657377 1070776870 /nfs/dbraw/zinc/77/68/70/1070776870.db2.gz AYTTUJIWBWVYRE-LJQANCHMSA-N 1 0 457.598 3.599 20 0 JHADRO O=C(N[C@H]1CC[C@@H](CS(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1)OCc1ccccc1 ZINC001309448224 1070777354 /nfs/dbraw/zinc/77/73/54/1070777354.db2.gz KJEHPWHEAAMFOJ-AOHZBQACSA-N 1 0 477.671 3.798 20 0 JHADRO C[NH+](C)C1(Cn2c(CC3CC3)nnc2N(CCO)Cc2cc(Br)ccc2F)CCC1 ZINC001314657757 1070777384 /nfs/dbraw/zinc/77/73/84/1070777384.db2.gz FFDVWXBPCHYEJP-UHFFFAOYSA-N 1 0 480.426 3.615 20 0 JHADRO C[NH+](C)C1(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H](C(F)F)C2)CCOCC1 ZINC001314658260 1070778896 /nfs/dbraw/zinc/77/88/96/1070778896.db2.gz WOMZBKKXWJWUHC-QGZVFWFLSA-N 1 0 467.536 3.589 20 0 JHADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001309456027 1070780505 /nfs/dbraw/zinc/78/05/05/1070780505.db2.gz FRYUOJWDGJAXDC-QFIPXVFZSA-N 1 0 450.988 3.626 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3cccs3)CC2)CCSC1 ZINC001314659134 1070780697 /nfs/dbraw/zinc/78/06/97/1070780697.db2.gz MEIGUDFGJVLDDT-HSZRJFAPSA-N 1 0 462.733 3.688 20 0 JHADRO O=S(=O)(c1ccc(Cl)cc1Br)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001309462370 1070784176 /nfs/dbraw/zinc/78/41/76/1070784176.db2.gz SBIYGFDJXZHUCG-IYBDPMFKSA-N 1 0 455.805 3.855 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001314662838 1070789972 /nfs/dbraw/zinc/78/99/72/1070789972.db2.gz JUCUBGOBTZBPPH-FQEVSTJZSA-N 1 0 468.465 3.974 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)C[NH+](C)C ZINC001314662911 1070790657 /nfs/dbraw/zinc/79/06/57/1070790657.db2.gz MKBZZBUGRDSTDL-IBGZPJMESA-N 1 0 451.619 3.786 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1cc(Br)cc(Br)c1 ZINC001309471352 1070790859 /nfs/dbraw/zinc/79/08/59/1070790859.db2.gz SYEJOTQRMCIWNC-AWEZNQCLSA-N 1 0 454.228 3.610 20 0 JHADRO Cn1cc(Br)cc1-c1nnc(N2CC[C@]3(C2)CCCOC3)n1CC(C)(C)C[NH+](C)C ZINC001314663335 1070791778 /nfs/dbraw/zinc/79/17/78/1070791778.db2.gz RLTBPIRWHLFZRQ-QFIPXVFZSA-N 1 0 479.467 3.641 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCCCCC1 ZINC001313641778 1070787800 /nfs/dbraw/zinc/78/78/00/1070787800.db2.gz ZSOYJAZHHOJVIO-QHCPKHFHSA-N 1 0 491.640 3.670 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001314664984 1070796035 /nfs/dbraw/zinc/79/60/35/1070796035.db2.gz IPNSOMQGAWOHNN-UHFFFAOYSA-N 1 0 461.054 3.881 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001314665220 1070796578 /nfs/dbraw/zinc/79/65/78/1070796578.db2.gz LZEIEPZLDVQONB-GOSISDBHSA-N 1 0 459.639 3.602 20 0 JHADRO C[NH+](C)CCCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC=C(Br)C2)cc1 ZINC001314667299 1070801322 /nfs/dbraw/zinc/80/13/22/1070801322.db2.gz JFPXTAFOGRYWSD-UHFFFAOYSA-N 1 0 498.429 3.603 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001314666034 1070798365 /nfs/dbraw/zinc/79/83/65/1070798365.db2.gz POBZRBLHNTXBEE-QGZVFWFLSA-N 1 0 453.557 3.875 20 0 JHADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1cccc(C(=O)N(C)CC)c1)c1ccc(Cl)cc1 ZINC001309486502 1070801645 /nfs/dbraw/zinc/80/16/45/1070801645.db2.gz RNFLTYZXFRSWCN-NRFANRHFSA-N 1 0 452.020 3.793 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cn2cccn2)CC1 ZINC001314666290 1070799091 /nfs/dbraw/zinc/79/90/91/1070799091.db2.gz ROTPEDFOKKSKJN-UHFFFAOYSA-N 1 0 453.610 3.709 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001314666631 1070799579 /nfs/dbraw/zinc/79/95/79/1070799579.db2.gz SZHXDYYDLRMLCN-QFIPXVFZSA-N 1 0 487.714 3.739 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001314668789 1070806003 /nfs/dbraw/zinc/80/60/03/1070806003.db2.gz OUFNXNSAABEWOL-UHFFFAOYSA-N 1 0 494.606 3.684 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(CC3CC3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001314669742 1070809478 /nfs/dbraw/zinc/80/94/78/1070809478.db2.gz JYWIFTUXHZERLN-UHFFFAOYSA-N 1 0 463.045 3.933 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccccc3Cl)nnc2N(C)CC2CCOCC2)CC1 ZINC001314669467 1070808095 /nfs/dbraw/zinc/80/80/95/1070808095.db2.gz GZVNTTODGCGZHQ-UHFFFAOYSA-N 1 0 475.081 3.735 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Br)s2)nnc1N1CCCC2(CC2)C1 ZINC001314669565 1070808337 /nfs/dbraw/zinc/80/83/37/1070808337.db2.gz BSDXGVYCPHLNMM-UHFFFAOYSA-N 1 0 454.438 3.728 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CC(C)(C)OC(C)(C)C2)cc1 ZINC001314670123 1070810098 /nfs/dbraw/zinc/81/00/98/1070810098.db2.gz CLHFZNPZUPBFSO-QFIPXVFZSA-N 1 0 485.673 3.749 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001314670284 1070810926 /nfs/dbraw/zinc/81/09/26/1070810926.db2.gz KJFJVGYWHHHLNK-GOSISDBHSA-N 1 0 488.995 3.759 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C(C)(C)C)C2)cc1 ZINC001314670966 1070812281 /nfs/dbraw/zinc/81/22/81/1070812281.db2.gz HNIUDJSFVMYZAA-DEOSSOPVSA-N 1 0 478.641 3.504 20 0 JHADRO C[NH+](C)CCCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CO)CC2)cc1 ZINC001314670828 1070812783 /nfs/dbraw/zinc/81/27/83/1070812783.db2.gz QOUCCGVYKLULOV-JWQCQUIFSA-N 1 0 499.700 3.784 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(N3CC[C@@H]4OCCC[C@H]4C3)nnc2C(C)(C)C)cc1 ZINC001314671126 1070813205 /nfs/dbraw/zinc/81/32/05/1070813205.db2.gz KZDBJUQZGAVBJF-GMAHTHKFSA-N 1 0 455.647 3.764 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC001314672229 1070817840 /nfs/dbraw/zinc/81/78/40/1070817840.db2.gz YDDFPNHXWDYAFD-SFHVURJKSA-N 1 0 491.423 3.883 20 0 JHADRO C[NH+](C)CCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001314672624 1070818012 /nfs/dbraw/zinc/81/80/12/1070818012.db2.gz DGOGGNOIDPSXPA-UHFFFAOYSA-N 1 0 475.506 3.894 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2cccc(Cl)c2)n1CCOCC[NH+](C)C ZINC001314672158 1070816881 /nfs/dbraw/zinc/81/68/81/1070816881.db2.gz XRDAWFQMEWSNMV-UHFFFAOYSA-N 1 0 485.942 3.565 20 0 JHADRO C[NH+](C)CCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001314673026 1070818897 /nfs/dbraw/zinc/81/88/97/1070818897.db2.gz IQOXPZMFTZKSJB-XMMPIXPASA-N 1 0 464.054 3.742 20 0 JHADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001309515097 1070821542 /nfs/dbraw/zinc/82/15/42/1070821542.db2.gz CCRNWSVVFGJWLN-DEOSSOPVSA-N 1 0 455.624 3.956 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001313652213 1070829324 /nfs/dbraw/zinc/82/93/24/1070829324.db2.gz QKUKKDNXSOMYSD-NRFANRHFSA-N 1 0 499.729 3.945 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001313652583 1070830626 /nfs/dbraw/zinc/83/06/26/1070830626.db2.gz VYPCPUFHANRFGG-NZQKXSOJSA-N 1 0 478.645 3.953 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001313654006 1070835636 /nfs/dbraw/zinc/83/56/36/1070835636.db2.gz GOUCSTBWFZOHMB-HXUWFJFHSA-N 1 0 485.658 3.795 20 0 JHADRO CN(c1nnc(-c2cccnc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314684475 1070840872 /nfs/dbraw/zinc/84/08/72/1070840872.db2.gz BSUBKLDAIPPNKC-JOCHJYFZSA-N 1 0 477.613 3.576 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001313656395 1070850250 /nfs/dbraw/zinc/85/02/50/1070850250.db2.gz IPATZZWLABKFJR-HNNXBMFYSA-N 1 0 483.455 3.601 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001313657106 1070854611 /nfs/dbraw/zinc/85/46/11/1070854611.db2.gz JFBPTZTZUZITTN-WIYYLYMNSA-N 1 0 461.676 3.596 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313657203 1070854670 /nfs/dbraw/zinc/85/46/70/1070854670.db2.gz PJHRCAHGRMDLST-PMACEKPBSA-N 1 0 464.614 3.921 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001313657666 1070856024 /nfs/dbraw/zinc/85/60/24/1070856024.db2.gz NIMNXFRUWDUZKD-DOTOQJQBSA-N 1 0 488.485 3.996 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(NC(C)=O)CC1 ZINC001313657756 1070856907 /nfs/dbraw/zinc/85/69/07/1070856907.db2.gz UJJICWYXCREXIV-LJQANCHMSA-N 1 0 463.630 3.637 20 0 JHADRO Cc1cnn(-c2ccc(S(=O)(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)cc2F)c1 ZINC001309562252 1070858729 /nfs/dbraw/zinc/85/87/29/1070858729.db2.gz XHBYPUNJFBYBHL-OAQYLSRUSA-N 1 0 456.587 3.900 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001313658532 1070859481 /nfs/dbraw/zinc/85/94/81/1070859481.db2.gz AWAUNWPTEDHHFG-GOSISDBHSA-N 1 0 476.069 3.959 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Br)cs1 ZINC001313660179 1070865258 /nfs/dbraw/zinc/86/52/58/1070865258.db2.gz PEEBTOXBDYSPPY-CQSZACIVSA-N 1 0 466.453 3.869 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313660375 1070865493 /nfs/dbraw/zinc/86/54/93/1070865493.db2.gz RGKHKJZHQPVBHF-QUCCMNQESA-N 1 0 457.623 3.516 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001313663395 1070871916 /nfs/dbraw/zinc/87/19/16/1070871916.db2.gz HWDOXIAQSJBVEX-RCZVLFRGSA-N 1 0 484.689 3.889 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001313661467 1070868508 /nfs/dbraw/zinc/86/85/08/1070868508.db2.gz YUIQUBKATRKZBZ-NRFANRHFSA-N 1 0 477.657 3.721 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001313661975 1070870156 /nfs/dbraw/zinc/87/01/56/1070870156.db2.gz LSINGEXXVQUTGT-DLBZAZTESA-N 1 0 491.562 3.662 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001313662563 1070870553 /nfs/dbraw/zinc/87/05/53/1070870553.db2.gz UUHIFWFBTMFEBN-MOPGFXCFSA-N 1 0 484.599 3.627 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001313663034 1070871276 /nfs/dbraw/zinc/87/12/76/1070871276.db2.gz ZTVFPBDYZQLBFY-VQTJNVASSA-N 1 0 463.630 3.715 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(F)(F)F)c1ccccc1 ZINC001313663565 1070872988 /nfs/dbraw/zinc/87/29/88/1070872988.db2.gz GBEMKRHQGXITCM-SFHVURJKSA-N 1 0 452.525 3.596 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC001313663589 1070873107 /nfs/dbraw/zinc/87/31/07/1070873107.db2.gz JLPMSDBGOCPDGQ-NQIIRXRSSA-N 1 0 486.661 3.511 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1)c1ccco1 ZINC001313664221 1070876093 /nfs/dbraw/zinc/87/60/93/1070876093.db2.gz LILWZTUMNIRYGQ-UYAOXDASSA-N 1 0 470.622 3.652 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001313664350 1070876799 /nfs/dbraw/zinc/87/67/99/1070876799.db2.gz AZPYQSTUYDOUHQ-LVXARBLLSA-N 1 0 471.646 3.670 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(F)F)C1)c1ccccc1 ZINC001313664637 1070877607 /nfs/dbraw/zinc/87/76/07/1070877607.db2.gz NLKSDEOZBKDGCW-WOJBJXKFSA-N 1 0 462.589 3.981 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1)c1ccccc1 ZINC001313665106 1070878609 /nfs/dbraw/zinc/87/86/09/1070878609.db2.gz OLVYRJRURBAYOC-CTNGQTDRSA-N 1 0 476.691 3.598 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314707912 1070879558 /nfs/dbraw/zinc/87/95/58/1070879558.db2.gz AZUUQJLBYAEZDH-UHFFFAOYSA-N 1 0 479.673 3.823 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CC=CCC1 ZINC001314707784 1070879604 /nfs/dbraw/zinc/87/96/04/1070879604.db2.gz DDXYAJCMMBOHJC-UHFFFAOYSA-N 1 0 487.942 3.609 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001314708055 1070880473 /nfs/dbraw/zinc/88/04/73/1070880473.db2.gz FHMLSHYJYZJEOR-WAOWUJCRSA-N 1 0 474.675 3.625 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001313665912 1070881940 /nfs/dbraw/zinc/88/19/40/1070881940.db2.gz DXMCUSITIRDFAJ-BIHRQFPBSA-N 1 0 471.646 3.700 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(-c2ccccn2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314708733 1070882289 /nfs/dbraw/zinc/88/22/89/1070882289.db2.gz UYPJAJYFMXLGNO-UHFFFAOYSA-N 1 0 483.567 3.815 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)C1)c1ccco1 ZINC001313666455 1070884147 /nfs/dbraw/zinc/88/41/47/1070884147.db2.gz XBUXQLVPHKXKNC-FCHUYYIVSA-N 1 0 494.640 3.989 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001313666691 1070885583 /nfs/dbraw/zinc/88/55/83/1070885583.db2.gz IKHVXPBJANOEGB-KKXNLOMOSA-N 1 0 476.616 3.761 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314709733 1070885895 /nfs/dbraw/zinc/88/58/95/1070885895.db2.gz HRYOGGNPOWEPIO-HXUWFJFHSA-N 1 0 490.624 3.862 20 0 JHADRO COC(=O)C(C)(C)c1ccc(S(=O)(=O)N(C(C)C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001309615568 1070886088 /nfs/dbraw/zinc/88/60/88/1070886088.db2.gz JXNYDFMSKNNKQX-JOCHJYFZSA-N 1 0 458.624 3.811 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001313666826 1070886637 /nfs/dbraw/zinc/88/66/37/1070886637.db2.gz VCCGXAJWHQXCLG-ROUUACIJSA-N 1 0 483.583 3.959 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1)c1ccco1 ZINC001313667043 1070888185 /nfs/dbraw/zinc/88/81/85/1070888185.db2.gz ZYNWESBTBLHECI-QHCPKHFHSA-N 1 0 478.641 3.969 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314710359 1070888538 /nfs/dbraw/zinc/88/85/38/1070888538.db2.gz QFYUZFIKYLJCCY-UHFFFAOYSA-N 1 0 458.626 3.623 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001313667367 1070888684 /nfs/dbraw/zinc/88/86/84/1070888684.db2.gz WZCZRMYETPNCGZ-QPPBQGQZSA-N 1 0 482.673 3.957 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313668081 1070891342 /nfs/dbraw/zinc/89/13/42/1070891342.db2.gz OKMZFECYAMUDCH-QFIPXVFZSA-N 1 0 470.662 3.591 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001313668717 1070893667 /nfs/dbraw/zinc/89/36/67/1070893667.db2.gz SKXBMVYWKANRFH-YADHBBJMSA-N 1 0 465.646 3.932 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001313669317 1070894821 /nfs/dbraw/zinc/89/48/21/1070894821.db2.gz VITJLIRRPMKLGO-OAQYLSRUSA-N 1 0 461.658 3.817 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCOCC1 ZINC001313669570 1070895007 /nfs/dbraw/zinc/89/50/07/1070895007.db2.gz VFWCEZMZGQNVKJ-CTNGQTDRSA-N 1 0 478.682 3.943 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 ZINC001313671283 1070899448 /nfs/dbraw/zinc/89/94/48/1070899448.db2.gz GXKUPRGLORXAJP-CAOCKLPOSA-N 1 0 482.673 3.955 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC001313669754 1070895334 /nfs/dbraw/zinc/89/53/34/1070895334.db2.gz XIVXRSIUCVJKMT-PQNGQFLHSA-N 1 0 483.636 3.976 20 0 JHADRO CN(CC(F)(F)F)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001314712186 1070895635 /nfs/dbraw/zinc/89/56/35/1070895635.db2.gz HIQMSYOLPIPYDX-HXUWFJFHSA-N 1 0 478.563 3.815 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](COC)C1)c1ccsc1 ZINC001313671450 1070899607 /nfs/dbraw/zinc/89/96/07/1070899607.db2.gz JPRILVUBKFVKPH-NQIIRXRSSA-N 1 0 457.648 3.686 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)OC)CC1 ZINC001313669972 1070896218 /nfs/dbraw/zinc/89/62/18/1070896218.db2.gz XGSODKBQWRWRCO-MRXNPFEDSA-N 1 0 499.443 3.783 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313670207 1070897061 /nfs/dbraw/zinc/89/70/61/1070897061.db2.gz ZXHXKZDQORTIIB-NRFANRHFSA-N 1 0 486.661 3.953 20 0 JHADRO CCn1nc(-c2nnc(N(C)OC)n2C[C@H](c2ccsc2)[NH+](CC)CC)c2ccccc2c1=O ZINC001313670866 1070897957 /nfs/dbraw/zinc/89/79/57/1070897957.db2.gz DGYPRZUOMPSTPR-HXUWFJFHSA-N 1 0 481.626 3.817 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001313670800 1070898104 /nfs/dbraw/zinc/89/81/04/1070898104.db2.gz MGSCSNXYZONTFA-PUHATCMVSA-N 1 0 497.688 3.830 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)c1ccco1 ZINC001313670816 1070898309 /nfs/dbraw/zinc/89/83/09/1070898309.db2.gz CCSOGJCLAXSXTJ-HXUWFJFHSA-N 1 0 471.650 3.852 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(C2CCCC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314713008 1070899905 /nfs/dbraw/zinc/89/99/05/1070899905.db2.gz AYGSMRWSLUJAGP-UHFFFAOYSA-N 1 0 460.711 3.995 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1)c1ccco1 ZINC001313673657 1070908358 /nfs/dbraw/zinc/90/83/58/1070908358.db2.gz KRVIANKWQMQQQC-RBBKRZOGSA-N 1 0 480.613 3.735 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1)c1ccco1 ZINC001313673660 1070908437 /nfs/dbraw/zinc/90/84/37/1070908437.db2.gz KRVIANKWQMQQQC-UNMCSNQZSA-N 1 0 480.613 3.735 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccco1 ZINC001313674336 1070911408 /nfs/dbraw/zinc/91/14/08/1070911408.db2.gz UXPZSKMNLJTEJE-PZJWPPBQSA-N 1 0 481.601 3.602 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1)c1ccco1 ZINC001313674515 1070912187 /nfs/dbraw/zinc/91/21/87/1070912187.db2.gz OGSFRXSRWSOYIL-JOCHJYFZSA-N 1 0 495.628 3.931 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)OC(C)(C)C1)c1ccccc1 ZINC001313674781 1070913518 /nfs/dbraw/zinc/91/35/18/1070913518.db2.gz XAYMQNHKIXEXHE-RTWAWAEBSA-N 1 0 468.646 3.706 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CC(C)(C)OC(C)(C)C1)c1ccco1 ZINC001313675242 1070914890 /nfs/dbraw/zinc/91/48/90/1070914890.db2.gz YOKRMXHBHLVMTE-LJQANCHMSA-N 1 0 453.591 3.805 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC(C)(C)C1)c1ccco1 ZINC001313675249 1070915055 /nfs/dbraw/zinc/91/50/55/1070915055.db2.gz NTYHQQLUCYGBFE-GOSISDBHSA-N 1 0 486.642 3.561 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OC)C1)c1ccccc1 ZINC001313676364 1070920256 /nfs/dbraw/zinc/92/02/56/1070920256.db2.gz WQLAOOKDFFLMRA-BJKOFHAPSA-N 1 0 465.646 3.838 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2C[C@@H](C)[C@H](N3CCOCC3)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001313676305 1070920623 /nfs/dbraw/zinc/92/06/23/1070920623.db2.gz VMVJSHGTRQFQHJ-GMKZXUHWSA-N 1 0 468.690 3.816 20 0 JHADRO CCN(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccco1 ZINC001313676471 1070921100 /nfs/dbraw/zinc/92/11/00/1070921100.db2.gz DSBOPNFUUGGYQH-DHIUTWEWSA-N 1 0 499.681 3.867 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 ZINC001313676794 1070922537 /nfs/dbraw/zinc/92/25/37/1070922537.db2.gz ZWMAYFIRPGRPIJ-WBADGQHESA-N 1 0 482.673 3.591 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 ZINC001313676793 1070922605 /nfs/dbraw/zinc/92/26/05/1070922605.db2.gz ZWMAYFIRPGRPIJ-SSGKUCQKSA-N 1 0 482.673 3.591 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1)c1ccsc1 ZINC001313677674 1070926234 /nfs/dbraw/zinc/92/62/34/1070926234.db2.gz LNPMMHZLMJYEFM-PMACEKPBSA-N 1 0 458.676 3.822 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(C)C1)c1ccccc1 ZINC001313678847 1070932461 /nfs/dbraw/zinc/93/24/61/1070932461.db2.gz OUXSBIRIQILVFK-DHIUTWEWSA-N 1 0 471.671 3.810 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccsc1 ZINC001313681352 1070940513 /nfs/dbraw/zinc/94/05/13/1070940513.db2.gz VQCFTFSJWMBNSR-QIJUGHKUSA-N 1 0 454.644 3.616 20 0 JHADRO CCN(CC)c1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cn1 ZINC001313680674 1070939517 /nfs/dbraw/zinc/93/95/17/1070939517.db2.gz MOWWDAOMNBUFPB-UPVQGACJSA-N 1 0 499.704 3.602 20 0 JHADRO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314726638 1070935132 /nfs/dbraw/zinc/93/51/32/1070935132.db2.gz JDOCLTASNVRIJV-QFIPXVFZSA-N 1 0 496.603 3.607 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccco1 ZINC001313679465 1070935702 /nfs/dbraw/zinc/93/57/02/1070935702.db2.gz QQURHMOXUHMIQJ-UYAOXDASSA-N 1 0 478.519 3.708 20 0 JHADRO CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001313684564 1070945565 /nfs/dbraw/zinc/94/55/65/1070945565.db2.gz KJGKKWBZNXOMOU-GOSISDBHSA-N 1 0 461.680 3.657 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313681619 1070941185 /nfs/dbraw/zinc/94/11/85/1070941185.db2.gz YDHUKBJCYSPVSA-FCHUYYIVSA-N 1 0 486.661 3.543 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(C)=O)C1)c1ccsc1 ZINC001313681772 1070942062 /nfs/dbraw/zinc/94/20/62/1070942062.db2.gz ZRENHWHRSDAEIG-DHIUTWEWSA-N 1 0 481.670 3.513 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(C)=O)C1)c1ccsc1 ZINC001313681775 1070942210 /nfs/dbraw/zinc/94/22/10/1070942210.db2.gz ZRENHWHRSDAEIG-XZOQPEGZSA-N 1 0 481.670 3.513 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCCCC1 ZINC001314730504 1070947887 /nfs/dbraw/zinc/94/78/87/1070947887.db2.gz YXMKPVJQJDWFLX-INIZCTEOSA-N 1 0 495.491 3.954 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC001309749134 1070952373 /nfs/dbraw/zinc/95/23/73/1070952373.db2.gz JTBPCPBKEILLPH-LOSJGSFVSA-N 1 0 452.576 3.650 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001313691630 1070951311 /nfs/dbraw/zinc/95/13/11/1070951311.db2.gz REWRRLNPYUCPJP-UHFFFAOYSA-N 1 0 461.676 3.532 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314731909 1070951577 /nfs/dbraw/zinc/95/15/77/1070951577.db2.gz VVWGEGTZSNNPFZ-JKSUJKDBSA-N 1 0 465.048 3.945 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCOCC2(C)C)CC1 ZINC001313693649 1070955326 /nfs/dbraw/zinc/95/53/26/1070955326.db2.gz MTIHDHUPMWZPGV-UHFFFAOYSA-N 1 0 490.643 3.569 20 0 JHADRO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc(C2CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314734030 1070956084 /nfs/dbraw/zinc/95/60/84/1070956084.db2.gz IAIWEQLFCKJTNU-UHFFFAOYSA-N 1 0 468.543 3.976 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OC)c2OC)CC1 ZINC001313694669 1070957946 /nfs/dbraw/zinc/95/79/46/1070957946.db2.gz HQRMOIGLWPSXOZ-FQEVSTJZSA-N 1 0 457.619 3.548 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001313694944 1070957969 /nfs/dbraw/zinc/95/79/69/1070957969.db2.gz YKPBNVUAGXFXPR-UHFFFAOYSA-N 1 0 489.108 3.944 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC2CC2)CC1 ZINC001313696833 1070964464 /nfs/dbraw/zinc/96/44/64/1070964464.db2.gz XIZQEOOTBWZIQG-UHFFFAOYSA-N 1 0 480.078 3.734 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001313695721 1070960820 /nfs/dbraw/zinc/96/08/20/1070960820.db2.gz BAVOBLXSFWQOLB-PMACEKPBSA-N 1 0 488.702 3.785 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(F)cc(OC)c2)CC1 ZINC001313695735 1070961247 /nfs/dbraw/zinc/96/12/47/1070961247.db2.gz BHJXHBRLYXENEV-UHFFFAOYSA-N 1 0 469.609 3.646 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OC(F)F)CC1 ZINC001313695996 1070961858 /nfs/dbraw/zinc/96/18/58/1070961858.db2.gz QGOJSLQIMLHTAC-UHFFFAOYSA-N 1 0 457.529 3.695 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2cccc(C)c2)CC1 ZINC001313696140 1070961900 /nfs/dbraw/zinc/96/19/00/1070961900.db2.gz JKYCINWNBKSTGJ-FQEVSTJZSA-N 1 0 456.635 3.503 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cnn(C)c2C)CC1 ZINC001313696370 1070962618 /nfs/dbraw/zinc/96/26/18/1070962618.db2.gz GNFYHBKQYUPFQI-UHFFFAOYSA-N 1 0 483.686 3.980 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)O)CC1 ZINC001313696762 1070963976 /nfs/dbraw/zinc/96/39/76/1070963976.db2.gz IGGIWGOIQFYAGN-FQEVSTJZSA-N 1 0 478.682 3.822 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)c2cccs2)CC1 ZINC001313696903 1070965216 /nfs/dbraw/zinc/96/52/16/1070965216.db2.gz ZBOGQBCBORIMKR-UHFFFAOYSA-N 1 0 482.654 3.756 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001313698377 1070970175 /nfs/dbraw/zinc/97/01/75/1070970175.db2.gz ZNCAIRGLOJILFX-UHFFFAOYSA-N 1 0 481.588 3.988 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)N(C)C)CC1 ZINC001313697772 1070968254 /nfs/dbraw/zinc/96/82/54/1070968254.db2.gz UMCROCKIGVQXBA-UHFFFAOYSA-N 1 0 497.471 3.953 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2oc3ccccc3c2C)CC1 ZINC001313697874 1070968900 /nfs/dbraw/zinc/96/89/00/1070968900.db2.gz UQYGXBDUCOQTEP-UHFFFAOYSA-N 1 0 452.603 3.830 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(C)(F)F)CC1 ZINC001313698034 1070969042 /nfs/dbraw/zinc/96/90/42/1070969042.db2.gz ZVSQDDNNFPEWIK-UHFFFAOYSA-N 1 0 454.591 3.626 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCc2sccc2C)CC1 ZINC001313698933 1070972416 /nfs/dbraw/zinc/97/24/16/1070972416.db2.gz FGOMFGYFWYDQTI-UHFFFAOYSA-N 1 0 480.682 3.857 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC2CCC(F)(F)CC2)CC1 ZINC001313699263 1070973198 /nfs/dbraw/zinc/97/31/98/1070973198.db2.gz VPVPKMNZJHMPPC-UHFFFAOYSA-N 1 0 494.656 3.746 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCS[C@@H](C(C)C)C2)cc1 ZINC001313699378 1070973965 /nfs/dbraw/zinc/97/39/65/1070973965.db2.gz XHFQLEOXWAWLLH-HSZRJFAPSA-N 1 0 484.714 3.982 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314740264 1070974751 /nfs/dbraw/zinc/97/47/51/1070974751.db2.gz SFYKXLHYWNTIPT-JOCHJYFZSA-N 1 0 499.457 3.510 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc([C@@H]2CCOC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314740418 1070976051 /nfs/dbraw/zinc/97/60/51/1070976051.db2.gz UTPLAXNXIFZGRK-DYESRHJHSA-N 1 0 480.476 3.618 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)CC2COC(C)(C)OC2)cc1 ZINC001313699960 1070975362 /nfs/dbraw/zinc/97/53/62/1070975362.db2.gz LZQMYSNOCOYGNL-HSZRJFAPSA-N 1 0 471.646 3.855 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314740265 1070975446 /nfs/dbraw/zinc/97/54/46/1070975446.db2.gz SFYKXLHYWNTIPT-QFIPXVFZSA-N 1 0 499.457 3.510 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nc(C)cs2)C1 ZINC001313701065 1070978659 /nfs/dbraw/zinc/97/86/59/1070978659.db2.gz AYFDCLQDFCHXAS-GOSISDBHSA-N 1 0 470.643 3.944 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nc(C)cs2)C1 ZINC001313701067 1070978710 /nfs/dbraw/zinc/97/87/10/1070978710.db2.gz AYFDCLQDFCHXAS-SFHVURJKSA-N 1 0 470.643 3.944 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001313702423 1070984246 /nfs/dbraw/zinc/98/42/46/1070984246.db2.gz AEMMMKKYNYYFHL-QHCPKHFHSA-N 1 0 498.672 3.729 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC3(CCCC3)C2)cc1 ZINC001313703019 1070985997 /nfs/dbraw/zinc/98/59/97/1070985997.db2.gz DMRWBZNFDNSMRD-HXUWFJFHSA-N 1 0 488.702 3.549 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001313703250 1070986653 /nfs/dbraw/zinc/98/66/53/1070986653.db2.gz CTBXIZCXCOBSOL-DHIUTWEWSA-N 1 0 487.714 3.943 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CCO[C@@H]([C@@H]4CCCO4)C3)nnc2C(C)(C)C)c1 ZINC001313703681 1070988064 /nfs/dbraw/zinc/98/80/64/1070988064.db2.gz QDKKTFWVXPDCCX-XZOQPEGZSA-N 1 0 455.647 3.850 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC001313705181 1070993203 /nfs/dbraw/zinc/99/32/03/1070993203.db2.gz BXVYNMFJOMPBRY-NJDAHSKKSA-N 1 0 476.710 3.814 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(F)ccc2SC)CC1 ZINC001313705623 1070994515 /nfs/dbraw/zinc/99/45/15/1070994515.db2.gz VTZODXUTJSSBPR-UHFFFAOYSA-N 1 0 490.693 3.766 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCOC2)C1 ZINC001313705920 1070995039 /nfs/dbraw/zinc/99/50/39/1070995039.db2.gz FZGLFIOJVJXKKR-ZWKOTPCHSA-N 1 0 462.436 3.912 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001313706129 1070995607 /nfs/dbraw/zinc/99/56/07/1070995607.db2.gz XTUFJBFTOYTOJH-ZRCGQRJVSA-N 1 0 473.687 3.553 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001313706542 1070996292 /nfs/dbraw/zinc/99/62/92/1070996292.db2.gz BZBMOMFPKXDWLX-KRWDZBQOSA-N 1 0 477.535 3.934 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001313707837 1070998676 /nfs/dbraw/zinc/99/86/76/1070998676.db2.gz SPYJZKRZNMAIOU-PMACEKPBSA-N 1 0 464.580 3.997 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2c(C)nn(C)c2C)C1 ZINC001313708478 1071000238 /nfs/dbraw/zinc/00/02/38/1071000238.db2.gz WXJPXOSFDREQLB-QFIPXVFZSA-N 1 0 492.672 3.714 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001313710129 1071003629 /nfs/dbraw/zinc/00/36/29/1071003629.db2.gz CGROUUIESAXPJC-APWZRJJASA-N 1 0 450.425 3.647 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001313708898 1071001084 /nfs/dbraw/zinc/00/10/84/1071001084.db2.gz CVVNTTANYHOGJN-QFIPXVFZSA-N 1 0 456.635 3.740 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001313709257 1071001563 /nfs/dbraw/zinc/00/15/63/1071001563.db2.gz JIKUDVPWDFSBPK-UHFFFAOYSA-N 1 0 492.672 3.997 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001313709515 1071002559 /nfs/dbraw/zinc/00/25/59/1071002559.db2.gz MVTGNINNXSHCTR-GMAHTHKFSA-N 1 0 468.646 3.884 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2C)C1 ZINC001313709490 1071002656 /nfs/dbraw/zinc/00/26/56/1071002656.db2.gz MNLGOELLRMZEJU-HXUWFJFHSA-N 1 0 466.655 3.794 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001313710154 1071003946 /nfs/dbraw/zinc/00/39/46/1071003946.db2.gz CVKCMISBBKMABI-NRFANRHFSA-N 1 0 459.038 3.922 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Cl)c2C)C1 ZINC001313709815 1071003287 /nfs/dbraw/zinc/00/32/87/1071003287.db2.gz QWUUUEWQXLXRMY-LJQANCHMSA-N 1 0 459.038 3.579 20 0 JHADRO CN(Cc1ccccc1Cl)c1nnc(Cc2cccnc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314752088 1071004798 /nfs/dbraw/zinc/00/47/98/1071004798.db2.gz JRXRETCCPCPTIX-HSZRJFAPSA-N 1 0 457.047 3.991 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)C1 ZINC001313710614 1071004787 /nfs/dbraw/zinc/00/47/87/1071004787.db2.gz ATZRQIWQJQZYAU-IBGZPJMESA-N 1 0 471.637 3.866 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+](CC)CC)CC1=O ZINC001313711279 1071006199 /nfs/dbraw/zinc/00/61/99/1071006199.db2.gz AHASRCFSKTVYJH-UHFFFAOYSA-N 1 0 450.990 3.528 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CCOCC1 ZINC001313711669 1071006703 /nfs/dbraw/zinc/00/67/03/1071006703.db2.gz OZAYWWJHBVVTPI-UHFFFAOYSA-N 1 0 467.456 3.641 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001313711903 1071007436 /nfs/dbraw/zinc/00/74/36/1071007436.db2.gz IZTBUIFYBWQOCE-DNQXCXABSA-N 1 0 466.674 3.604 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001313712271 1071008685 /nfs/dbraw/zinc/00/86/85/1071008685.db2.gz NBPVQCGIZQACNP-UHFFFAOYSA-N 1 0 470.643 3.911 20 0 JHADRO CN(Cc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314755336 1071008882 /nfs/dbraw/zinc/00/88/82/1071008882.db2.gz VDPMIXWYWXJPFM-HXUWFJFHSA-N 1 0 451.575 3.665 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313713379 1071010374 /nfs/dbraw/zinc/01/03/74/1071010374.db2.gz ZNHBXOAZKQJQJK-FQEVSTJZSA-N 1 0 488.652 3.984 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccn2)nnc1N1CCN(c2c(F)cccc2OC)CC1 ZINC001313713680 1071010915 /nfs/dbraw/zinc/01/09/15/1071010915.db2.gz CPDOKESBDKCLFI-UHFFFAOYSA-N 1 0 467.593 3.546 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@@H]2OC)C1 ZINC001313714287 1071012248 /nfs/dbraw/zinc/01/22/48/1071012248.db2.gz XBVSXLUNBPPONG-FUDKSRODSA-N 1 0 476.065 3.742 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001313715517 1071013973 /nfs/dbraw/zinc/01/39/73/1071013973.db2.gz IBSNLHMDLPRNIH-FQEVSTJZSA-N 1 0 455.676 3.960 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001313715726 1071015263 /nfs/dbraw/zinc/01/52/63/1071015263.db2.gz JLSHVVYNJFURMX-UHFFFAOYSA-N 1 0 470.618 3.655 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001313716078 1071015403 /nfs/dbraw/zinc/01/54/03/1071015403.db2.gz ODFSOIIAXMYOKA-UHFFFAOYSA-N 1 0 466.655 3.625 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001313716584 1071016107 /nfs/dbraw/zinc/01/61/07/1071016107.db2.gz TUYKGSKIPIIRDX-FQEVSTJZSA-N 1 0 468.581 3.545 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313717714 1071016891 /nfs/dbraw/zinc/01/68/91/1071016891.db2.gz QETXEYSJOKOIGP-NRFANRHFSA-N 1 0 474.625 3.843 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313718263 1071018179 /nfs/dbraw/zinc/01/81/79/1071018179.db2.gz PSBBDELWWOAZAP-ICSRJNTNSA-N 1 0 469.552 3.768 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@H]2CCCOC2)nnc1N1Cc2ccc(Br)cc2C1 ZINC001313718608 1071018944 /nfs/dbraw/zinc/01/89/44/1071018944.db2.gz SZOPTQRHEQGGCW-IBGZPJMESA-N 1 0 492.462 3.813 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001313718872 1071019264 /nfs/dbraw/zinc/01/92/64/1071019264.db2.gz DXNAYRBXGZGKPX-BVFVYWQFSA-N 1 0 499.635 3.773 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001313719874 1071021032 /nfs/dbraw/zinc/02/10/32/1071021032.db2.gz SGRKASNMGOLULB-QGZVFWFLSA-N 1 0 459.620 3.598 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001313720891 1071021879 /nfs/dbraw/zinc/02/18/79/1071021879.db2.gz UHCOBXVWBONZSW-LRSLUSHPSA-N 1 0 490.693 3.929 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001313721313 1071023927 /nfs/dbraw/zinc/02/39/27/1071023927.db2.gz JQMUNEPHRGLJGC-XWIAVFTESA-N 1 0 484.826 3.653 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001313721523 1071024517 /nfs/dbraw/zinc/02/45/17/1071024517.db2.gz LZJUTCDQOSDQMZ-IEBWSBKVSA-N 1 0 473.025 3.770 20 0 JHADRO CN(Cc1cnccn1)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[N@H+]1CC=CCC1 ZINC001314764762 1071026227 /nfs/dbraw/zinc/02/62/27/1071026227.db2.gz IOBMGRKPCWZBOC-UHFFFAOYSA-N 1 0 474.396 3.852 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001313723758 1071029354 /nfs/dbraw/zinc/02/93/54/1071029354.db2.gz MNORWPDHRBKUFF-JFIYKMOQSA-N 1 0 498.441 3.817 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001313723983 1071029717 /nfs/dbraw/zinc/02/97/17/1071029717.db2.gz KXESWWCFEQSXSH-DLBZAZTESA-N 1 0 488.549 3.950 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001313724018 1071030050 /nfs/dbraw/zinc/03/00/50/1071030050.db2.gz LVJYMHSVCQLADV-IRLDBZIGSA-N 1 0 465.646 3.725 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001313722628 1071027479 /nfs/dbraw/zinc/02/74/79/1071027479.db2.gz DODXAJBWNUQXNO-WOJBJXKFSA-N 1 0 471.650 3.812 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001313722627 1071027488 /nfs/dbraw/zinc/02/74/88/1071027488.db2.gz DODXAJBWNUQXNO-UXHICEINSA-N 1 0 471.650 3.812 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001313722841 1071027794 /nfs/dbraw/zinc/02/77/94/1071027794.db2.gz FIBXYJWVUZKGIA-MZNJEOGPSA-N 1 0 458.676 3.708 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001313723024 1071028156 /nfs/dbraw/zinc/02/81/56/1071028156.db2.gz LEAUNGMMNOAXFL-UTKZUKDTSA-N 1 0 489.571 3.588 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313723148 1071028196 /nfs/dbraw/zinc/02/81/96/1071028196.db2.gz AIMUMBDTGNNMPN-IAGOWNOFSA-N 1 0 488.549 3.950 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001313723121 1071028310 /nfs/dbraw/zinc/02/83/10/1071028310.db2.gz HDZQHJXSVNFBRM-HXUWFJFHSA-N 1 0 468.646 3.523 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCO1 ZINC001313725494 1071032708 /nfs/dbraw/zinc/03/27/08/1071032708.db2.gz KKAXHPVCBQFEGY-NJDAHSKKSA-N 1 0 478.682 3.738 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313725641 1071033045 /nfs/dbraw/zinc/03/30/45/1071033045.db2.gz NEKFCDCEFKVCAZ-MHTWAQMVSA-N 1 0 478.682 3.990 20 0 JHADRO CCC1([NH+](C)C)CCN(C(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC001309973217 1071033677 /nfs/dbraw/zinc/03/36/77/1071033677.db2.gz XICXLMDWPSHBNS-UHFFFAOYSA-N 1 0 450.649 3.978 20 0 JHADRO CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001309973324 1071033704 /nfs/dbraw/zinc/03/37/04/1071033704.db2.gz ZMVGWCQLNIPFIW-GOSISDBHSA-N 1 0 450.649 3.882 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001313726208 1071034569 /nfs/dbraw/zinc/03/45/69/1071034569.db2.gz BNTOZGAJDMVWMO-JMJGKCIBSA-N 1 0 488.721 3.670 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC001309975274 1071034770 /nfs/dbraw/zinc/03/47/70/1071034770.db2.gz KEKAKYWICUTNSU-YADARESESA-N 1 0 450.583 3.580 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(Cc3ccc(OC)c(F)c3)CC2)nnc1C(C)(C)C ZINC001313726508 1071035122 /nfs/dbraw/zinc/03/51/22/1071035122.db2.gz LJKVQGKBQVRDIK-LJQANCHMSA-N 1 0 460.642 3.776 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001313727217 1071036716 /nfs/dbraw/zinc/03/67/16/1071036716.db2.gz ZLSGKZKHFSXLJB-KZNAEPCWSA-N 1 0 469.556 3.917 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCCCO2)n1CCC[NH+]1CCC(O)CC1 ZINC001313730971 1071046151 /nfs/dbraw/zinc/04/61/51/1071046151.db2.gz MYQFSCNJADSMIJ-JOCHJYFZSA-N 1 0 463.573 3.671 20 0 JHADRO CN(Cc1ccon1)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314776371 1071048271 /nfs/dbraw/zinc/04/82/71/1071048271.db2.gz OCYLLDHPGUHJAX-QGZVFWFLSA-N 1 0 474.363 3.566 20 0 JHADRO CN(Cc1ccon1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314776562 1071048668 /nfs/dbraw/zinc/04/86/68/1071048668.db2.gz XCHVGLDBAZCZJM-FQEVSTJZSA-N 1 0 450.971 3.799 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001313732386 1071049686 /nfs/dbraw/zinc/04/96/86/1071049686.db2.gz CXVRXEYFZSPMAR-VWLOTQADSA-N 1 0 489.668 3.867 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccccc2)n1CC1([NH+](C)C)CCCCC1 ZINC001314777708 1071050869 /nfs/dbraw/zinc/05/08/69/1071050869.db2.gz VGCCVXKRWFLHCP-UHFFFAOYSA-N 1 0 458.561 3.703 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001313733866 1071052664 /nfs/dbraw/zinc/05/26/64/1071052664.db2.gz PVXQUEUGCSEPPB-UHFFFAOYSA-N 1 0 465.621 3.779 20 0 JHADRO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001310014698 1071058778 /nfs/dbraw/zinc/05/87/78/1071058778.db2.gz XQJJFZIUKNJZRO-UHFFFAOYSA-N 1 0 454.637 3.500 20 0 JHADRO CN(CC1CC1)c1nnc(-c2cccc(Br)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314785589 1071062699 /nfs/dbraw/zinc/06/26/99/1071062699.db2.gz GFOXZEPZCCZIEG-HXUWFJFHSA-N 1 0 450.450 3.991 20 0 JHADRO CN(C[C@H]1CC=CCC1)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314788295 1071065377 /nfs/dbraw/zinc/06/53/77/1071065377.db2.gz FQMYKFHNEVRFKN-FQEVSTJZSA-N 1 0 451.619 3.840 20 0 JHADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001310020874 1071066002 /nfs/dbraw/zinc/06/60/02/1071066002.db2.gz TXPRTYBZDWVQDS-WOJBJXKFSA-N 1 0 459.635 3.904 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001313741062 1071066564 /nfs/dbraw/zinc/06/65/64/1071066564.db2.gz FXAMFEYZWWFDPV-UHFFFAOYSA-N 1 0 470.687 3.804 20 0 JHADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)[C@@H]1c1cccs1 ZINC001310029220 1071071886 /nfs/dbraw/zinc/07/18/86/1071071886.db2.gz OKDOKTUAIHOWTR-FDDCHVKYSA-N 1 0 456.612 3.954 20 0 JHADRO CN(CC1CCCC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CC=CCC1 ZINC001314793681 1071071054 /nfs/dbraw/zinc/07/10/54/1071071054.db2.gz CTOMDMDIMZZYHB-UHFFFAOYSA-N 1 0 457.022 3.750 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc(-c2ccccc2Br)n1CCCC[NH+]1CCOCC1 ZINC001314797876 1071075866 /nfs/dbraw/zinc/07/58/66/1071075866.db2.gz GHOMZNNMQLSLQE-LJQANCHMSA-N 1 0 492.462 3.825 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC001310037434 1071076579 /nfs/dbraw/zinc/07/65/79/1071076579.db2.gz WFTQTSHQLYIFLL-LJQANCHMSA-N 1 0 459.635 3.986 20 0 JHADRO 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CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2CCOCC2)C[C@@H]1C ZINC001313864134 1071384878 /nfs/dbraw/zinc/38/48/78/1071384878.db2.gz XINAVSXMOHCNCX-RBUKOAKNSA-N 1 0 461.054 3.628 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccs2)C[C@@H]1C ZINC001313864203 1071386173 /nfs/dbraw/zinc/38/61/73/1071386173.db2.gz YAERXDBDPMYLJB-ZWKOTPCHSA-N 1 0 473.668 3.572 20 0 JHADRO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N(CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC001310445423 1071394351 /nfs/dbraw/zinc/39/43/51/1071394351.db2.gz RIGZHYVGYZYAPC-IBGZPJMESA-N 1 0 452.665 3.736 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2occc2C)C[C@H]1C ZINC001313865335 1071392073 /nfs/dbraw/zinc/39/20/73/1071392073.db2.gz ZCBQWKSTFNUVFV-MSOLQXFVSA-N 1 0 471.005 3.730 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(CC)(CC)OC)C[C@@H]1C ZINC001313865515 1071392830 /nfs/dbraw/zinc/39/28/30/1071392830.db2.gz DYZSGCOPWGHNEA-LEWJYISDSA-N 1 0 484.693 3.576 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3COc4ccccc4O3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313865503 1071393261 /nfs/dbraw/zinc/39/32/61/1071393261.db2.gz DWDCDUAARJWEGW-GRDNDAEWSA-N 1 0 486.361 3.697 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2COCCO2)C[C@H]1C ZINC001313865680 1071393307 /nfs/dbraw/zinc/39/33/07/1071393307.db2.gz CPMCABYZJFFLLQ-SJBKTWHCSA-N 1 0 492.064 3.586 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2CC(CC)(CC)OC)c2ccccc2c1=O ZINC001313865015 1071390329 /nfs/dbraw/zinc/39/03/29/1071390329.db2.gz NNYIVSOQWZULOD-VQTJNVASSA-N 1 0 495.672 3.799 20 0 JHADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)NCCc2nc(C)c(C)s2)ccc1Cl ZINC001310446686 1071394916 /nfs/dbraw/zinc/39/49/16/1071394916.db2.gz OBEKWMVIBCMUMB-UHFFFAOYSA-N 1 0 452.024 3.849 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2ccc(Br)s2)C[C@@H]1C ZINC001313866853 1071396518 /nfs/dbraw/zinc/39/65/18/1071396518.db2.gz QZQLGUJFKKAJJJ-LSDHHAIUSA-N 1 0 478.464 3.664 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313867099 1071397820 /nfs/dbraw/zinc/39/78/20/1071397820.db2.gz LFMPDCWYKIXUIY-BRWVUGGUSA-N 1 0 478.041 3.826 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCCOC)C[C@H]1C ZINC001313867125 1071397869 /nfs/dbraw/zinc/39/78/69/1071397869.db2.gz LMPKNIMFJLTFEI-HZPDHXFCSA-N 1 0 456.418 3.834 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCOC2)C[C@H]1C ZINC001313867628 1071400775 /nfs/dbraw/zinc/40/07/75/1071400775.db2.gz MSCCYATYUCSXDD-HSALFYBXSA-N 1 0 457.619 3.696 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(O)CCC2)C[C@@H]1C ZINC001313869718 1071410114 /nfs/dbraw/zinc/41/01/14/1071410114.db2.gz PUQDYLQXQJXCJT-VQTJNVASSA-N 1 0 490.693 3.617 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313869594 1071409449 /nfs/dbraw/zinc/40/94/49/1071409449.db2.gz QKSNWUMZMDAJHG-ZWKOTPCHSA-N 1 0 484.670 3.813 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314948449 1071411641 /nfs/dbraw/zinc/41/16/41/1071411641.db2.gz NTDIXVTZJSPNPV-VQTJNVASSA-N 1 0 492.672 3.664 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnc(C)s2)C[C@@H]1C ZINC001313870575 1071413392 /nfs/dbraw/zinc/41/33/92/1071413392.db2.gz UXQFNNNOCGTWMP-ROUUACIJSA-N 1 0 454.644 3.804 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313870605 1071414051 /nfs/dbraw/zinc/41/40/51/1071414051.db2.gz FBSNDDFCZIBDIC-VQTJNVASSA-N 1 0 466.596 3.980 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313871635 1071417451 /nfs/dbraw/zinc/41/74/51/1071417451.db2.gz GVMKKFFBCSJODW-IAGOWNOFSA-N 1 0 456.541 3.518 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC001313871780 1071418344 /nfs/dbraw/zinc/41/83/44/1071418344.db2.gz HLYUFJTTZNKCJH-MSOLQXFVSA-N 1 0 455.006 3.893 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001313872689 1071422919 /nfs/dbraw/zinc/42/29/19/1071422919.db2.gz KFHPZBXXPYKPGJ-SJORKVTESA-N 1 0 475.519 3.643 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001314952140 1071422331 /nfs/dbraw/zinc/42/23/31/1071422331.db2.gz CYRGHGJYJHOUGQ-OALUTQOASA-N 1 0 451.619 3.509 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)CCOC)C[C@@H]1C ZINC001313873436 1071424851 /nfs/dbraw/zinc/42/48/51/1071424851.db2.gz ZTLKEBQUMIFSOU-RBUKOAKNSA-N 1 0 459.635 3.944 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C ZINC001313873920 1071427093 /nfs/dbraw/zinc/42/70/93/1071427093.db2.gz FFWFEHWYMOHEKZ-ZDPRRSKRSA-N 1 0 498.455 3.623 20 0 JHADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)cc1)C[C@@H]1CCCCO1 ZINC001310490845 1071429972 /nfs/dbraw/zinc/42/99/72/1071429972.db2.gz PXBPTGZOWBOMIK-XZOQPEGZSA-N 1 0 456.562 3.953 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2(CC)CCOCC2)C[C@H]1C ZINC001313874812 1071430586 /nfs/dbraw/zinc/43/05/86/1071430586.db2.gz KGZSUUFZVOYVSY-RTWAWAEBSA-N 1 0 471.646 3.991 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001314956739 1071430679 /nfs/dbraw/zinc/43/06/79/1071430679.db2.gz CBWBOHFCHFCCRL-FQEVSTJZSA-N 1 0 454.663 3.597 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CCc2csc(C)n2)C[C@@H]1C ZINC001313875258 1071432800 /nfs/dbraw/zinc/43/28/00/1071432800.db2.gz PTOPMDVXUMGJHH-ROUUACIJSA-N 1 0 454.644 3.804 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313876001 1071436854 /nfs/dbraw/zinc/43/68/54/1071436854.db2.gz NQQOZTBMXOZYCC-NHCUHLMSSA-N 1 0 464.614 3.845 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(C)c(Br)c3)nnc2N(C)CCC(=O)NC)CC1 ZINC001313876240 1071437562 /nfs/dbraw/zinc/43/75/62/1071437562.db2.gz INJVZIFFLFGXFN-UHFFFAOYSA-N 1 0 491.478 3.710 20 0 JHADRO CCN1C[C@@H](CN(C)c2nnc(-c3cccn3C)n2C[C@H](CC(C)C)[NH+](C)C)Oc2ccccc21 ZINC001313876784 1071439057 /nfs/dbraw/zinc/43/90/57/1071439057.db2.gz OLIMUZLXJCFGIE-FCHUYYIVSA-N 1 0 479.673 3.984 20 0 JHADRO CCN1C[C@H](CN(C)c2nnc(-c3cnn(C)c3)n2CC[NH+](C(C)C)C(C)C)Oc2ccccc21 ZINC001313875433 1071434621 /nfs/dbraw/zinc/43/46/21/1071434621.db2.gz HUPRRFJJXFICIZ-QFIPXVFZSA-N 1 0 480.661 3.521 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001313875569 1071435372 /nfs/dbraw/zinc/43/53/72/1071435372.db2.gz AGGHPERNSARMBI-CVDCTZTESA-N 1 0 486.636 3.784 20 0 JHADRO CCN1C[C@H](CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+](CC)CC)Oc2ccccc21 ZINC001313875678 1071436173 /nfs/dbraw/zinc/43/61/73/1071436173.db2.gz IMAXPMKMVLLLRK-HFMPRLQTSA-N 1 0 470.662 3.974 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3C)n2CC[C@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001313878494 1071445407 /nfs/dbraw/zinc/44/54/07/1071445407.db2.gz YPAYYGGUFVHKSE-URVUXULASA-N 1 0 494.606 3.826 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313877321 1071441604 /nfs/dbraw/zinc/44/16/04/1071441604.db2.gz WQBQUKFDRLCDCD-YADHBBJMSA-N 1 0 452.647 3.965 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001313878142 1071443749 /nfs/dbraw/zinc/44/37/49/1071443749.db2.gz VJKVCZDRFMGETE-QZTJIDSGSA-N 1 0 489.546 3.567 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313879410 1071449861 /nfs/dbraw/zinc/44/98/61/1071449861.db2.gz BIAAKMXIEFFWQV-UGKGYDQZSA-N 1 0 489.686 3.508 20 0 JHADRO CC[NH+]1CCC(CCn2c(CC(C)C)nnc2N2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC001313879475 1071450080 /nfs/dbraw/zinc/45/00/80/1071450080.db2.gz CECDQKRCGFUXNW-UHFFFAOYSA-N 1 0 466.674 3.997 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccc(C)n3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001313879715 1071450664 /nfs/dbraw/zinc/45/06/64/1071450664.db2.gz JVSKSWALEWOGKG-NRFANRHFSA-N 1 0 483.661 3.874 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccn3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001313879700 1071450692 /nfs/dbraw/zinc/45/06/92/1071450692.db2.gz ARXUVYIRPCALQE-DENIHFKCSA-N 1 0 483.661 3.812 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001313880763 1071453049 /nfs/dbraw/zinc/45/30/49/1071453049.db2.gz AOGZMAZVWFMOOK-SEIRJHJZSA-N 1 0 490.693 3.594 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@H](COC)C2)CC1 ZINC001313880806 1071453101 /nfs/dbraw/zinc/45/31/01/1071453101.db2.gz NRKRLGCCFMGOEC-FQEVSTJZSA-N 1 0 457.619 3.557 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccccc3C)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001313881955 1071456639 /nfs/dbraw/zinc/45/66/39/1071456639.db2.gz DQXNJKJYULYNCT-UHFFFAOYSA-N 1 0 460.617 3.686 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(N(C)C(C)=O)CC2)C1 ZINC001313884065 1071463365 /nfs/dbraw/zinc/46/33/65/1071463365.db2.gz MKIOJHBKJNDKAX-ICSRJNTNSA-N 1 0 489.064 3.860 20 0 JHADRO 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20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2ccc(I)cc2)C[C@H]1C ZINC001313885514 1071466992 /nfs/dbraw/zinc/46/69/92/1071466992.db2.gz PGBOHNDCLNSXQI-GPMSIDNRSA-N 1 0 495.409 3.701 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001313885600 1071467280 /nfs/dbraw/zinc/46/72/80/1071467280.db2.gz DWTLJEBEUIMLQL-CQSZACIVSA-N 1 0 453.538 3.737 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2([NH+](C)C)CCC2)C1 ZINC001314976118 1071467450 /nfs/dbraw/zinc/46/74/50/1071467450.db2.gz CFTOXUROQYPISJ-AREMUKBSSA-N 1 0 482.673 3.736 20 0 JHADRO CCn1cccc(Cn2c(CSc3ccccc3OC)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1=O ZINC001313886307 1071469996 /nfs/dbraw/zinc/46/99/96/1071469996.db2.gz RLDUTKZIYJMCFH-PMACEKPBSA-N 1 0 496.681 3.728 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(O)(C(F)(F)F)CC2)C1 ZINC001313886769 1071471322 /nfs/dbraw/zinc/47/13/22/1071471322.db2.gz QVJJEVJBZRUKFT-HNNXBMFYSA-N 1 0 487.954 3.843 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001313887106 1071472499 /nfs/dbraw/zinc/47/24/99/1071472499.db2.gz TVZHLFKSMGNFBY-GOSISDBHSA-N 1 0 479.044 3.626 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)C1 ZINC001313887251 1071473328 /nfs/dbraw/zinc/47/33/28/1071473328.db2.gz ICVVQGHMTIXGEK-RZUBCFFCSA-N 1 0 490.693 3.644 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(F)(F)C2)C1 ZINC001313889584 1071480808 /nfs/dbraw/zinc/48/08/08/1071480808.db2.gz AVANFCGXOOUZLL-ROUUACIJSA-N 1 0 468.593 3.580 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(NC(C)=O)nc2)C[C@@H]1C ZINC001313889335 1071480008 /nfs/dbraw/zinc/48/00/08/1071480008.db2.gz XPQOUKZOTFAEAU-MYEKKWIISA-N 1 0 483.661 3.517 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001314980376 1071482130 /nfs/dbraw/zinc/48/21/30/1071482130.db2.gz UDDOTSOJJISFIM-VXKWHMMOSA-N 1 0 482.654 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JHADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001314985259 1071491717 /nfs/dbraw/zinc/49/17/17/1071491717.db2.gz KFGBEHRWXGKRLU-FGTMMUONSA-N 1 0 475.037 3.517 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313892597 1071487726 /nfs/dbraw/zinc/48/77/26/1071487726.db2.gz GGBXBIZRJXMKDT-MJGOQNOKSA-N 1 0 477.053 3.907 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(CO)CC2)C1 ZINC001313892553 1071487771 /nfs/dbraw/zinc/48/77/71/1071487771.db2.gz YVYFYLSAYLTRIZ-SFHVURJKSA-N 1 0 462.436 3.567 20 0 JHADRO CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(-c4ccccc4F)n3CC[NH+](C(C)C)C(C)C)C2)n1 ZINC001314983302 1071488399 /nfs/dbraw/zinc/48/83/99/1071488399.db2.gz ZEGSVSOOGILKJC-HXUWFJFHSA-N 1 0 496.635 3.601 20 0 JHADRO CNC(=O)c1ccn([C@H]2CCCN(c3nnc(-c4ccccc4F)n3CC[NH+](C(C)C)C(C)C)C2)n1 ZINC001314983301 1071488444 /nfs/dbraw/zinc/48/84/44/1071488444.db2.gz ZEGSVSOOGILKJC-FQEVSTJZSA-N 1 0 496.635 3.601 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCOC)CC(C)C ZINC001313892636 1071488649 /nfs/dbraw/zinc/48/86/49/1071488649.db2.gz GZCSYQLQFSRHDT-QGZVFWFLSA-N 1 0 453.429 3.629 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313892609 1071488764 /nfs/dbraw/zinc/48/87/64/1071488764.db2.gz GMPSILSIYQIXFQ-XUZZJYLKSA-N 1 0 482.673 3.872 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001313893177 1071489287 /nfs/dbraw/zinc/48/92/87/1071489287.db2.gz LOSOUDQUBCDIHT-IRFCIJBXSA-N 1 0 489.064 3.840 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC(F)(F)F)C1 ZINC001313893513 1071490111 /nfs/dbraw/zinc/49/01/11/1071490111.db2.gz OYHPOSHFGOLJOM-DLBZAZTESA-N 1 0 474.572 3.733 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](COC)C1 ZINC001313893614 1071490859 /nfs/dbraw/zinc/49/08/59/1071490859.db2.gz OZVCEMGWMLBYRN-IAGOWNOFSA-N 1 0 478.435 3.673 20 0 JHADRO 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CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313899210 1071507213 /nfs/dbraw/zinc/50/72/13/1071507213.db2.gz GYSFNKGVAJBJFC-NHCUHLMSSA-N 1 0 472.609 3.596 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001313902965 1071514287 /nfs/dbraw/zinc/51/42/87/1071514287.db2.gz AZPNNYLENJISDO-DNQXCXABSA-N 1 0 498.672 3.653 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001313900622 1071509350 /nfs/dbraw/zinc/50/93/50/1071509350.db2.gz QRAVKFZBZGKYFC-GUDVDZBRSA-N 1 0 493.425 3.623 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCOC)CC1CC1 ZINC001313900754 1071510035 /nfs/dbraw/zinc/51/00/35/1071510035.db2.gz RZVDAKHTMDYFTR-JOCHJYFZSA-N 1 0 490.693 3.740 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313901282 1071511055 /nfs/dbraw/zinc/51/10/55/1071511055.db2.gz FQWATBIDMZCWRN-UXHICEINSA-N 1 0 456.610 3.557 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313901283 1071511259 /nfs/dbraw/zinc/51/12/59/1071511259.db2.gz FQWATBIDMZCWRN-VQTJNVASSA-N 1 0 456.610 3.557 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001314994651 1071511395 /nfs/dbraw/zinc/51/13/95/1071511395.db2.gz NNJIKMIGFOUGGO-ILBGXUMGSA-N 1 0 496.700 3.947 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CCCO)CC1 ZINC001313902625 1071514121 /nfs/dbraw/zinc/51/41/21/1071514121.db2.gz HJLLJYXHPFEXSG-QHCPKHFHSA-N 1 0 455.647 3.947 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 ZINC001313902653 1071514244 /nfs/dbraw/zinc/51/42/44/1071514244.db2.gz HTRSVLGSAZOXRU-OFNKIYASSA-N 1 0 465.646 3.787 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313903070 1071514994 /nfs/dbraw/zinc/51/49/94/1071514994.db2.gz BLVGQLVZXMPKON-UQBPGWFLSA-N 1 0 473.618 3.588 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313904311 1071517272 /nfs/dbraw/zinc/51/72/72/1071517272.db2.gz TURVFRIZKSZDTC-VXKWHMMOSA-N 1 0 452.647 3.726 20 0 JHADRO CNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC001314998709 1071518674 /nfs/dbraw/zinc/51/86/74/1071518674.db2.gz OIWCMYOVHDDIJF-UHFFFAOYSA-N 1 0 458.676 3.512 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313904630 1071519346 /nfs/dbraw/zinc/51/93/46/1071519346.db2.gz RLYWSAQFPOTSKA-PZJWPPBQSA-N 1 0 490.048 3.735 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313906661 1071524960 /nfs/dbraw/zinc/52/49/60/1071524960.db2.gz YJAHMACWMRDLEJ-IBGZPJMESA-N 1 0 491.478 3.933 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001313906632 1071525115 /nfs/dbraw/zinc/52/51/15/1071525115.db2.gz YCINFXZUGCYTAG-KCZVDYSFSA-N 1 0 488.702 3.552 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001315001669 1071525106 /nfs/dbraw/zinc/52/51/06/1071525106.db2.gz VFPUQKHCNNEBNN-OAQYLSRUSA-N 1 0 452.647 3.871 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001315002162 1071526490 /nfs/dbraw/zinc/52/64/90/1071526490.db2.gz UHFZZXLTINXLGD-DFHRPNOPSA-N 1 0 480.701 3.926 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313907235 1071526610 /nfs/dbraw/zinc/52/66/10/1071526610.db2.gz ZVNOYIJNKSMPMJ-XUZZJYLKSA-N 1 0 463.573 3.718 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C)C1 ZINC001313907583 1071528238 /nfs/dbraw/zinc/52/82/38/1071528238.db2.gz IJYPXCHMNSUCIE-AEFFLSMTSA-N 1 0 478.435 3.816 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001313907722 1071528665 /nfs/dbraw/zinc/52/86/65/1071528665.db2.gz JYFHMMNBUNLMFN-QFIPXVFZSA-N 1 0 467.662 3.578 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001313908307 1071529505 /nfs/dbraw/zinc/52/95/05/1071529505.db2.gz IHIJGFGZIQLRND-GOSISDBHSA-N 1 0 463.001 3.704 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCS(=O)CC1 ZINC001313908087 1071529642 /nfs/dbraw/zinc/52/96/42/1071529642.db2.gz LVGRATSVTZETBV-JOCHJYFZSA-N 1 0 473.687 3.813 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CO)CC1 ZINC001313908387 1071530102 /nfs/dbraw/zinc/53/01/02/1071530102.db2.gz NLBUJOBZTGIYFU-FQEVSTJZSA-N 1 0 462.436 3.791 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313908653 1071530170 /nfs/dbraw/zinc/53/01/70/1071530170.db2.gz ALBMTPWRXUEOOQ-IBGZPJMESA-N 1 0 488.627 3.716 20 0 JHADRO CNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001315003785 1071530514 /nfs/dbraw/zinc/53/05/14/1071530514.db2.gz HZFYROBXVLQGRH-OAQYLSRUSA-N 1 0 487.092 3.853 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313910757 1071536383 /nfs/dbraw/zinc/53/63/83/1071536383.db2.gz GRQVGMRJVJWFHM-VXKWHMMOSA-N 1 0 459.610 3.513 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001313910997 1071536885 /nfs/dbraw/zinc/53/68/85/1071536885.db2.gz XVBKBUDSQMDBPO-NRFANRHFSA-N 1 0 450.587 3.717 20 0 JHADRO CNC(=O)CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001315017060 1071537696 /nfs/dbraw/zinc/53/76/96/1071537696.db2.gz PFTWJGLZNKYJCB-FQEVSTJZSA-N 1 0 486.636 3.786 20 0 JHADRO CNC(=O)CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001315017703 1071538037 /nfs/dbraw/zinc/53/80/37/1071538037.db2.gz WKGMQJKCIDVAPN-UXHICEINSA-N 1 0 486.636 3.642 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313911921 1071538462 /nfs/dbraw/zinc/53/84/62/1071538462.db2.gz SPBREKSJBXITGJ-JOCHJYFZSA-N 1 0 483.661 3.828 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CCN1CCOCC1 ZINC001313912310 1071539941 /nfs/dbraw/zinc/53/99/41/1071539941.db2.gz HIQIRAYWNNFLAO-QFIPXVFZSA-N 1 0 472.703 3.522 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001313912919 1071541074 /nfs/dbraw/zinc/54/10/74/1071541074.db2.gz ONJFGULFXVDLBS-QHCPKHFHSA-N 1 0 468.646 3.810 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001313912914 1071541246 /nfs/dbraw/zinc/54/12/46/1071541246.db2.gz ONJFGULFXVDLBS-HSZRJFAPSA-N 1 0 468.646 3.810 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001313910998 1071536998 /nfs/dbraw/zinc/53/69/98/1071536998.db2.gz XVBKBUDSQMDBPO-OAQYLSRUSA-N 1 0 450.587 3.717 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC001313914150 1071546057 /nfs/dbraw/zinc/54/60/57/1071546057.db2.gz SCUDSNOPHRRXCK-FGZHOGPDSA-N 1 0 474.719 3.922 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001315024035 1071546444 /nfs/dbraw/zinc/54/64/44/1071546444.db2.gz GTBSQGXDIJUJQH-UHFFFAOYSA-N 1 0 488.627 3.622 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001313914343 1071546736 /nfs/dbraw/zinc/54/67/36/1071546736.db2.gz MMPMWHBXUJYOMP-VJANTYMQSA-N 1 0 459.557 3.655 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1=O ZINC001313913246 1071542800 /nfs/dbraw/zinc/54/28/00/1071542800.db2.gz LASSRRNDGXJXJV-LJQANCHMSA-N 1 0 459.038 3.922 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccccc3OC)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001315021743 1071543161 /nfs/dbraw/zinc/54/31/61/1071543161.db2.gz XNXVEXJKRMXFNS-OAQYLSRUSA-N 1 0 482.673 3.961 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001313913462 1071543639 /nfs/dbraw/zinc/54/36/39/1071543639.db2.gz POXJUBHCCVHDMW-FCHUYYIVSA-N 1 0 454.619 3.777 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCOC ZINC001313913499 1071543805 /nfs/dbraw/zinc/54/38/05/1071543805.db2.gz PRMMRKURZNWRJO-LEWJYISDSA-N 1 0 478.682 3.740 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001315021865 1071543843 /nfs/dbraw/zinc/54/38/43/1071543843.db2.gz SCCMFOWMVWHWAV-UHFFFAOYSA-N 1 0 467.662 3.656 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313914695 1071547951 /nfs/dbraw/zinc/54/79/51/1071547951.db2.gz SYJNPTQFHARSET-NQIIRXRSSA-N 1 0 482.570 3.955 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313914826 1071548645 /nfs/dbraw/zinc/54/86/45/1071548645.db2.gz OERJQVFYMZNYGO-GUDVDZBRSA-N 1 0 487.611 3.965 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313915102 1071549275 /nfs/dbraw/zinc/54/92/75/1071549275.db2.gz OXRURTUQAHXLOH-QHAWAJNXSA-N 1 0 476.666 3.840 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313915150 1071549858 /nfs/dbraw/zinc/54/98/58/1071549858.db2.gz QCRJSRHLDHOUDQ-VWPQPMDRSA-N 1 0 463.667 3.660 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC)CC1 ZINC001313915139 1071549926 /nfs/dbraw/zinc/54/99/26/1071549926.db2.gz QAMVQHXJMHCZBH-JOCHJYFZSA-N 1 0 498.672 3.917 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccsc2)[NH+](CC)CC)CC1=O ZINC001313916280 1071552633 /nfs/dbraw/zinc/55/26/33/1071552633.db2.gz XNTSWWGQCQFQTI-OAQYLSRUSA-N 1 0 467.643 3.543 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315027388 1071554050 /nfs/dbraw/zinc/55/40/50/1071554050.db2.gz QMDCRFCIDQWGAB-QZTJIDSGSA-N 1 0 477.053 3.690 20 0 JHADRO CCN1CCCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@H](C)[NH+](CC)CC)CC1=O ZINC001313917072 1071554211 /nfs/dbraw/zinc/55/42/11/1071554211.db2.gz RRBUXJZOSWTAOA-OALUTQOASA-N 1 0 472.703 3.920 20 0 JHADRO CCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCC(C)C)CC2)CC1=O ZINC001313918035 1071555774 /nfs/dbraw/zinc/55/57/74/1071555774.db2.gz CEMSAKNZTQCAFB-UHFFFAOYSA-N 1 0 484.664 3.825 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[NH+]1CCCCCC1 ZINC001315028793 1071557066 /nfs/dbraw/zinc/55/70/66/1071557066.db2.gz JYMWDVSKIOYVSF-UHFFFAOYSA-N 1 0 491.478 3.854 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313920687 1071559484 /nfs/dbraw/zinc/55/94/84/1071559484.db2.gz LORUHLZVPIILAB-AZUAARDMSA-N 1 0 494.656 3.904 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CCCOC)CC1 ZINC001313920999 1071560532 /nfs/dbraw/zinc/56/05/32/1071560532.db2.gz NJGQCSLFRBJPNF-NRFANRHFSA-N 1 0 456.679 3.741 20 0 JHADRO CCN1CCCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313922729 1071565773 /nfs/dbraw/zinc/56/57/73/1071565773.db2.gz XOQBNJMZOVZXNI-JOCHJYFZSA-N 1 0 466.674 3.632 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2ccccc2Br)CC1 ZINC001313924358 1071569702 /nfs/dbraw/zinc/56/97/02/1071569702.db2.gz DHSYXURHIQKXRW-IBGZPJMESA-N 1 0 498.473 3.765 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC[C@H](COC)C2)CC1 ZINC001313926162 1071575638 /nfs/dbraw/zinc/57/56/38/1071575638.db2.gz AGRIWZBGVZXFCF-RPBOFIJWSA-N 1 0 498.716 3.753 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313926352 1071576334 /nfs/dbraw/zinc/57/63/34/1071576334.db2.gz FECSUFLJDNDUDS-SFHVURJKSA-N 1 0 465.484 3.526 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N(C)C2CCCCC2)CC1 ZINC001313926451 1071576431 /nfs/dbraw/zinc/57/64/31/1071576431.db2.gz CHLKTMYJESIWTO-FQEVSTJZSA-N 1 0 458.626 3.791 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313926779 1071577381 /nfs/dbraw/zinc/57/73/81/1071577381.db2.gz YCLFFTCGESVDGT-RBUKOAKNSA-N 1 0 461.054 3.628 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313927054 1071578882 /nfs/dbraw/zinc/57/88/82/1071578882.db2.gz ZCRAWWOCCROSFV-SFTDATJTSA-N 1 0 494.606 3.827 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313927342 1071579979 /nfs/dbraw/zinc/57/99/79/1071579979.db2.gz JSGJBKBUDHOTSM-UXHICEINSA-N 1 0 483.611 3.766 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccc(OC)cc2)CC1 ZINC001313927436 1071580751 /nfs/dbraw/zinc/58/07/51/1071580751.db2.gz LALMCADFKZFIAK-NQHRYMMQSA-N 1 0 498.716 3.868 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCCC2)CC1 ZINC001313927539 1071580823 /nfs/dbraw/zinc/58/08/23/1071580823.db2.gz LXGQFRWGASLNES-QFIPXVFZSA-N 1 0 454.663 3.915 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001313928329 1071583802 /nfs/dbraw/zinc/58/38/02/1071583802.db2.gz AMHIWONTPGZXCD-VQTJNVASSA-N 1 0 491.080 3.991 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313929280 1071586690 /nfs/dbraw/zinc/58/66/90/1071586690.db2.gz YHYFNFGHJYWYKQ-QFIPXVFZSA-N 1 0 484.689 3.764 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC001313929423 1071586732 /nfs/dbraw/zinc/58/67/32/1071586732.db2.gz RRWQAZGHZHIFII-INIZCTEOSA-N 1 0 484.533 3.824 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001313928969 1071585404 /nfs/dbraw/zinc/58/54/04/1071585404.db2.gz DXXZSMOLKRWRFD-WOJBJXKFSA-N 1 0 491.080 3.713 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCSC(F)(F)F)C[C@@H]1C ZINC001313929193 1071586103 /nfs/dbraw/zinc/58/61/03/1071586103.db2.gz FDNLTMQUGVBPOA-AWEZNQCLSA-N 1 0 490.983 3.645 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[N@H+](C)C(C)C)C1 ZINC001315077434 1071588447 /nfs/dbraw/zinc/58/84/47/1071588447.db2.gz IUOWNQGCXLLRCX-ZWKOTPCHSA-N 1 0 459.660 3.861 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[N@H+](C)C(C)C)C1 ZINC001315077432 1071588495 /nfs/dbraw/zinc/58/84/95/1071588495.db2.gz IUOWNQGCXLLRCX-ROUUACIJSA-N 1 0 459.660 3.861 20 0 JHADRO COC(=O)[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001315084063 1071592561 /nfs/dbraw/zinc/59/25/61/1071592561.db2.gz RYWHHIAOTYQFET-OAQYLSRUSA-N 1 0 484.645 3.655 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313930892 1071590151 /nfs/dbraw/zinc/59/01/51/1071590151.db2.gz DCTMCYVSAYWESO-JPYJTQIMSA-N 1 0 481.563 3.916 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(-c3cccn3C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001315081962 1071590856 /nfs/dbraw/zinc/59/08/56/1071590856.db2.gz PIGXFHJDWONTMR-IRLDBZIGSA-N 1 0 464.614 3.584 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2ccnc2C)C[C@H]1C ZINC001313931295 1071591737 /nfs/dbraw/zinc/59/17/37/1071591737.db2.gz QVXZTSGVGGJTBI-MSOLQXFVSA-N 1 0 458.010 3.807 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313931399 1071591899 /nfs/dbraw/zinc/59/18/99/1071591899.db2.gz YSLAVCGGPYZWND-IBGZPJMESA-N 1 0 459.708 3.532 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCOC2)C[C@H]1C ZINC001313931819 1071593400 /nfs/dbraw/zinc/59/34/00/1071593400.db2.gz IWOJOHPRZBULQA-QZTJIDSGSA-N 1 0 462.436 3.973 20 0 JHADRO COC(=O)[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001315089898 1071593560 /nfs/dbraw/zinc/59/35/60/1071593560.db2.gz QXIOBNYTOUIKKW-IAGOWNOFSA-N 1 0 461.994 3.555 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2c(C)cccc2C)C[C@@H]1C ZINC001313932774 1071596415 /nfs/dbraw/zinc/59/64/15/1071596415.db2.gz IXGWXHMHFCEGCH-NVQXNPDNSA-N 1 0 455.647 3.709 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H]2COCCO2)C[C@@H]1C ZINC001313932754 1071596566 /nfs/dbraw/zinc/59/65/66/1071596566.db2.gz XGQMLGMGLKURNQ-IRFCIJBXSA-N 1 0 478.037 3.634 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@H](C)COC)C[C@@H]1C ZINC001313933697 1071599025 /nfs/dbraw/zinc/59/90/25/1071599025.db2.gz QATQFYMWVSWOTR-UXHICEINSA-N 1 0 453.587 3.930 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2=CCCOC2)C[C@H]1C ZINC001313933667 1071599337 /nfs/dbraw/zinc/59/93/37/1071599337.db2.gz PUHQLTKKRMKYCU-QGZVFWFLSA-N 1 0 460.420 3.893 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(Cc4ccccc4OC)nnc3N(C)CC(C)(C)C)cn2)CC1 ZINC001313933783 1071599348 /nfs/dbraw/zinc/59/93/48/1071599348.db2.gz LNCGJOOGGUQQDD-UHFFFAOYSA-N 1 0 491.684 3.945 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)c2ccsc2)C[C@@H]1C ZINC001313934112 1071601222 /nfs/dbraw/zinc/60/12/22/1071601222.db2.gz OLYDBCFDQLBRBJ-DFBJGRDBSA-N 1 0 482.654 3.647 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccc(OC)cc2)C[C@@H]1C ZINC001313935045 1071604353 /nfs/dbraw/zinc/60/43/53/1071604353.db2.gz VHYKBSKYLGNRLL-KRWDZBQOSA-N 1 0 487.446 3.828 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](OC)C(C)C)C[C@H]1C ZINC001313935090 1071604641 /nfs/dbraw/zinc/60/46/41/1071604641.db2.gz WFAJNGVLBVZBKE-UZLBHIALSA-N 1 0 480.451 3.918 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(F)F)C[C@@H]1C ZINC001313936743 1071609556 /nfs/dbraw/zinc/60/95/56/1071609556.db2.gz IDCKIILHXGFZGE-ROUUACIJSA-N 1 0 470.609 3.968 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccnc(C(F)(F)F)c2)C[C@@H]1C ZINC001313935529 1071605842 /nfs/dbraw/zinc/60/58/42/1071605842.db2.gz XRGXFVFMUUGIAT-INIZCTEOSA-N 1 0 460.504 3.946 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCOc2ncccc2F)C[C@H]1C ZINC001313936899 1071609693 /nfs/dbraw/zinc/60/96/93/1071609693.db2.gz QUHFMIHSRRXHEI-MRXNPFEDSA-N 1 0 489.393 3.851 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2cc(C)no2)C[C@H]1C ZINC001313935520 1071606086 /nfs/dbraw/zinc/60/60/86/1071606086.db2.gz XPFXUZDSPCYFSX-CQSZACIVSA-N 1 0 463.355 3.722 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313936825 1071609779 /nfs/dbraw/zinc/60/97/79/1071609779.db2.gz QJPPHQWNQRPEMY-QGZVFWFLSA-N 1 0 490.530 3.977 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCCc2cnn(C)c2)C[C@H]1C ZINC001313936147 1071607997 /nfs/dbraw/zinc/60/79/97/1071607997.db2.gz MBJMWQMOTQKHMA-QGZVFWFLSA-N 1 0 472.435 3.604 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCOC)C[C@@H]1C ZINC001313937383 1071610725 /nfs/dbraw/zinc/61/07/25/1071610725.db2.gz LWBHQMKKXUMBOE-SFTDATJTSA-N 1 0 478.682 3.740 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCc2ccccn2)C[C@H]1C ZINC001313938255 1071611382 /nfs/dbraw/zinc/61/13/82/1071611382.db2.gz YFKBDBLYXHKCQM-QGZVFWFLSA-N 1 0 485.430 3.884 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC2(COC)CCC2)C[C@H]1C ZINC001313938259 1071612010 /nfs/dbraw/zinc/61/20/10/1071612010.db2.gz YHORJSHNGJKBGE-LJQANCHMSA-N 1 0 457.619 3.700 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCSCC(F)(F)F)C[C@@H]1C ZINC001313938941 1071612855 /nfs/dbraw/zinc/61/28/55/1071612855.db2.gz YPWONNPKPXEZIX-YJBOKZPZSA-N 1 0 471.549 3.617 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313940030 1071614007 /nfs/dbraw/zinc/61/40/07/1071614007.db2.gz UFCZUOSIKMZJOO-IBGZPJMESA-N 1 0 464.614 3.866 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCSC2)C[C@H]1C ZINC001313941188 1071616311 /nfs/dbraw/zinc/61/63/11/1071616311.db2.gz AHVKQQVNRTZVGT-IAGOWNOFSA-N 1 0 480.476 3.903 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313940983 1071616334 /nfs/dbraw/zinc/61/63/34/1071616334.db2.gz RETBGJMOTCOPIP-QXUYBEEESA-N 1 0 455.647 3.806 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001313941350 1071617171 /nfs/dbraw/zinc/61/71/71/1071617171.db2.gz UOYWYPXEELAQOD-HNNXBMFYSA-N 1 0 495.575 3.549 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C ZINC001313941550 1071617623 /nfs/dbraw/zinc/61/76/23/1071617623.db2.gz WPOMLVKUWWSISF-KRWDZBQOSA-N 1 0 489.690 3.564 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)C)n3Cc3cccc(COCC(F)(F)F)c3)C2)CC1 ZINC001313941913 1071618313 /nfs/dbraw/zinc/61/83/13/1071618313.db2.gz BDUSMOUZWUUOSP-QFIPXVFZSA-N 1 0 494.606 3.745 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccncc2Cl)C[C@@H]1C ZINC001313942215 1071619566 /nfs/dbraw/zinc/61/95/66/1071619566.db2.gz GBOLSMVIYROPTO-YTQUADARSA-N 1 0 490.052 3.676 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC)c(Cl)c3)C2)CC1 ZINC001313943140 1071621936 /nfs/dbraw/zinc/62/19/36/1071621936.db2.gz OXMSLMFTMWEETF-IBGZPJMESA-N 1 0 461.054 3.502 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313945535 1071626788 /nfs/dbraw/zinc/62/67/88/1071626788.db2.gz IYOAPJPEWHTTPR-RBUKOAKNSA-N 1 0 474.625 3.699 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnn(CC(C)C)c2C)C[C@@H]1C ZINC001313943730 1071623820 /nfs/dbraw/zinc/62/38/20/1071623820.db2.gz VDDYOVDOCIAQFL-NRFANRHFSA-N 1 0 465.646 3.905 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)C)n3C[C@H](OC(C)C)c3ccccc3OC)C2)CC1 ZINC001313944254 1071624442 /nfs/dbraw/zinc/62/44/42/1071624442.db2.gz ZBJCAMXXXJHNCO-RDGATRHJSA-N 1 0 484.689 3.793 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3cccnc3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313946157 1071627899 /nfs/dbraw/zinc/62/78/99/1071627899.db2.gz OWIKWQFUJFVDGY-OAHLLOKOSA-N 1 0 465.549 3.512 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@@H](C)COC)C2)CC1 ZINC001313945325 1071626216 /nfs/dbraw/zinc/62/62/16/1071626216.db2.gz MZNMTRXKARQDFP-ZJSXRUAMSA-N 1 0 468.690 3.741 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313946690 1071629260 /nfs/dbraw/zinc/62/92/60/1071629260.db2.gz TYKAAXFHKLEUKT-VQTJNVASSA-N 1 0 486.661 3.663 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C[C@@H]1C ZINC001313947065 1071631135 /nfs/dbraw/zinc/63/11/35/1071631135.db2.gz VHYHYAAKKDFCKM-XSDIEEQYSA-N 1 0 474.694 3.900 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCn2ccnc2C)C[C@@H]1C ZINC001313947110 1071631166 /nfs/dbraw/zinc/63/11/66/1071631166.db2.gz FIKURXIIGWBVKZ-NRFANRHFSA-N 1 0 451.619 3.681 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313947719 1071633010 /nfs/dbraw/zinc/63/30/10/1071633010.db2.gz XYGIJXFALVAXRH-QGZVFWFLSA-N 1 0 496.578 3.698 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CSc4ccc(Cl)cc4)n3C[C@@](C)(O)CC)C2)CC1 ZINC001313948747 1071634512 /nfs/dbraw/zinc/63/45/12/1071634512.db2.gz HPWSYRDFLODOAJ-RDPSFJRHSA-N 1 0 493.121 3.601 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313951028 1071639973 /nfs/dbraw/zinc/63/99/73/1071639973.db2.gz CTCUGPHRZCVRDA-CQOQZXRMSA-N 1 0 454.663 3.643 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001313951219 1071641129 /nfs/dbraw/zinc/64/11/29/1071641129.db2.gz RMRWJTSLOVLBOR-ACRUOGEOSA-N 1 0 490.693 3.773 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001313951333 1071641695 /nfs/dbraw/zinc/64/16/95/1071641695.db2.gz GFWDJXYQJPGKDN-RBUKOAKNSA-N 1 0 492.510 3.936 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C2CC2)CC1 ZINC001313951717 1071643040 /nfs/dbraw/zinc/64/30/40/1071643040.db2.gz VMBGLQDNCNFZJF-MOPGFXCFSA-N 1 0 461.054 3.944 20 0 JHADRO CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001313951964 1071643675 /nfs/dbraw/zinc/64/36/75/1071643675.db2.gz CGJHZSPKVYVCMV-FQEVSTJZSA-N 1 0 453.660 3.702 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C)CC2)CC1 ZINC001313952181 1071644269 /nfs/dbraw/zinc/64/42/69/1071644269.db2.gz OIIYSEPIRAQGSH-NRFANRHFSA-N 1 0 458.626 3.506 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313952107 1071644459 /nfs/dbraw/zinc/64/44/59/1071644459.db2.gz NBGZHBNCLFBZJP-WMZHIEFXSA-N 1 0 491.080 3.702 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313952706 1071646478 /nfs/dbraw/zinc/64/64/78/1071646478.db2.gz AMYALSVGOCMANW-FQEVSTJZSA-N 1 0 498.594 3.812 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313953043 1071647187 /nfs/dbraw/zinc/64/71/87/1071647187.db2.gz FOXSZWKZENZOQA-BGYRXZFFSA-N 1 0 461.054 3.630 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@H](COC)C2)CC1 ZINC001313953049 1071647785 /nfs/dbraw/zinc/64/77/85/1071647785.db2.gz FPYVDDWFANHWED-IBGZPJMESA-N 1 0 479.044 3.628 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313953582 1071648921 /nfs/dbraw/zinc/64/89/21/1071648921.db2.gz IOUBBSMMNZKGNQ-UHFFFAOYSA-N 1 0 487.027 3.582 20 0 JHADRO CCN1CC[NH+](CCCCn2c(N3CCN(c4cc(F)cc(F)c4)CC3)nnc2C(C)(C)C)CC1 ZINC001313953486 1071649055 /nfs/dbraw/zinc/64/90/55/1071649055.db2.gz GTKLGFFOXHNURO-UHFFFAOYSA-N 1 0 489.659 3.598 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001313953761 1071650017 /nfs/dbraw/zinc/65/00/17/1071650017.db2.gz KSZZRFUGWYPXCD-MZKRTTBSSA-N 1 0 475.081 3.733 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)Cc2cccs2)CC1 ZINC001313954271 1071651309 /nfs/dbraw/zinc/65/13/09/1071651309.db2.gz MSQINPCKBNMJFO-FQEVSTJZSA-N 1 0 468.671 3.925 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313955913 1071656738 /nfs/dbraw/zinc/65/67/38/1071656738.db2.gz VXTZBLDSUAGGER-SFHVURJKSA-N 1 0 474.028 3.976 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313954965 1071653609 /nfs/dbraw/zinc/65/36/09/1071653609.db2.gz QYWSPRUHSLZUCU-AREMUKBSSA-N 1 0 454.663 3.998 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccsc3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001313954904 1071653737 /nfs/dbraw/zinc/65/37/37/1071653737.db2.gz WXUZYLPRGOTALC-PMACEKPBSA-N 1 0 462.733 3.678 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cccnc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313955059 1071654141 /nfs/dbraw/zinc/65/41/41/1071654141.db2.gz RVKLTCUROZDRJD-FQEVSTJZSA-N 1 0 465.568 3.537 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC001313956556 1071658041 /nfs/dbraw/zinc/65/80/41/1071658041.db2.gz HROUFXRUBLIWOU-NRFANRHFSA-N 1 0 486.709 3.785 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)C2CCCCC2)CC1 ZINC001313957028 1071659507 /nfs/dbraw/zinc/65/95/07/1071659507.db2.gz BTPVPOGPCJMEBV-UHFFFAOYSA-N 1 0 470.662 3.759 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CC[C@@H](COc3ccccc3)C2)CC1 ZINC001313957467 1071660653 /nfs/dbraw/zinc/66/06/53/1071660653.db2.gz UUTQGKYMHCRTBA-HSZRJFAPSA-N 1 0 468.690 3.800 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313957674 1071661173 /nfs/dbraw/zinc/66/11/73/1071661173.db2.gz RPJOTCTTZPIZDL-MQSCRBSSSA-N 1 0 492.634 3.972 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313957909 1071661788 /nfs/dbraw/zinc/66/17/88/1071661788.db2.gz SALCCVMVKCKIPA-BJKOFHAPSA-N 1 0 498.716 3.788 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001313958125 1071662955 /nfs/dbraw/zinc/66/29/55/1071662955.db2.gz UJKFYMMGUXXZTH-YTFSRNRJSA-N 1 0 486.730 3.769 20 0 JHADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)CC1 ZINC001313960076 1071668658 /nfs/dbraw/zinc/66/86/58/1071668658.db2.gz HDQKDNCXVRJWFP-FQEVSTJZSA-N 1 0 489.734 3.761 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(CC)(CC)C2)CC1 ZINC001313959100 1071665878 /nfs/dbraw/zinc/66/58/78/1071665878.db2.gz ZKKJFOQFYXFLNF-QFIPXVFZSA-N 1 0 453.679 3.554 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001313960107 1071668785 /nfs/dbraw/zinc/66/87/85/1071668785.db2.gz DQNYXNHPPDPXCP-HSZRJFAPSA-N 1 0 498.716 3.797 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@@H](C)[C@@H]2C)CC1 ZINC001313960791 1071671194 /nfs/dbraw/zinc/67/11/94/1071671194.db2.gz MPWLMDKGRNCHST-PKTZIBPZSA-N 1 0 454.663 3.736 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001313961073 1071671793 /nfs/dbraw/zinc/67/17/93/1071671793.db2.gz QASWWXHUXPWXRX-FCHUYYIVSA-N 1 0 470.662 3.518 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313961543 1071672775 /nfs/dbraw/zinc/67/27/75/1071672775.db2.gz ULJOYISSJOQPAB-ZRZAMGCNSA-N 1 0 486.730 3.832 20 0 JHADRO CCn1nc(-c2nnc(N3CCSC(CC)(CC)C3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001313965574 1071684316 /nfs/dbraw/zinc/68/43/16/1071684316.db2.gz MFRQRNBNIKDJSM-GOSISDBHSA-N 1 0 483.686 3.737 20 0 JHADRO CCn1nc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCCOC(C)C)c2ccccc2c1=O ZINC001313965727 1071684718 /nfs/dbraw/zinc/68/47/18/1071684718.db2.gz DMGITKFMWNHQLP-UHFFFAOYSA-N 1 0 495.672 3.801 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001313967847 1071690357 /nfs/dbraw/zinc/69/03/57/1071690357.db2.gz RQVHCKHTLQDIBU-UHFFFAOYSA-N 1 0 477.657 3.966 20 0 JHADRO CCNC(=O)C1(Cn2c(-c3cccc(Br)c3)nnc2N2CC[NH+](C(C)C)CC2)CCC1 ZINC001313974944 1071704089 /nfs/dbraw/zinc/70/40/89/1071704089.db2.gz JBJKHIYRBNRVKU-UHFFFAOYSA-N 1 0 489.462 3.544 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001313975067 1071704542 /nfs/dbraw/zinc/70/45/42/1071704542.db2.gz YSEMJBKBPKUSOA-JOCHJYFZSA-N 1 0 480.682 3.803 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313999688 1071736488 /nfs/dbraw/zinc/73/64/88/1071736488.db2.gz PVUWRQFIIMWOTQ-HSZRJFAPSA-N 1 0 497.688 3.672 20 0 JHADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C3CCCC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001314007226 1071742819 /nfs/dbraw/zinc/74/28/19/1071742819.db2.gz CLFLYIMGZJKRQK-DENIHFKCSA-N 1 0 488.702 3.583 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001314014183 1071752990 /nfs/dbraw/zinc/75/29/90/1071752990.db2.gz OJLOHYAEWLXBOB-UHFFFAOYSA-N 1 0 469.634 3.519 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001314012895 1071749200 /nfs/dbraw/zinc/74/92/00/1071749200.db2.gz AODKBIKIWCSQNL-SFTDATJTSA-N 1 0 484.645 3.502 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+](C)[C@@H](C)CC)CC1 ZINC001314013378 1071750130 /nfs/dbraw/zinc/75/01/30/1071750130.db2.gz FMQPSLIUNIONOK-IBGZPJMESA-N 1 0 472.634 3.741 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001314013403 1071750699 /nfs/dbraw/zinc/75/06/99/1071750699.db2.gz FTONXMLHSCVCQO-HXUWFJFHSA-N 1 0 471.650 3.698 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001314016916 1071761723 /nfs/dbraw/zinc/76/17/23/1071761723.db2.gz UPCDILXVGFCYNZ-QFIPXVFZSA-N 1 0 456.635 3.837 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001314016412 1071759672 /nfs/dbraw/zinc/75/96/72/1071759672.db2.gz GXKWRANKOLOJMP-FQEVSTJZSA-N 1 0 456.635 3.765 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3cccc4cccnc43)n2CC[N@H+](CC)C(C)C)CC1 ZINC001314019563 1071768955 /nfs/dbraw/zinc/76/89/55/1071768955.db2.gz KGENHDQZKXLBHD-UHFFFAOYSA-N 1 0 465.602 3.502 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001314023435 1071779208 /nfs/dbraw/zinc/77/92/08/1071779208.db2.gz UNYCXQBPDCQOEL-NRFANRHFSA-N 1 0 496.612 3.908 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001314025551 1071785941 /nfs/dbraw/zinc/78/59/41/1071785941.db2.gz BGHZHOPLKZHJGY-VXKWHMMOSA-N 1 0 485.677 3.757 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccn2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001314025552 1071785960 /nfs/dbraw/zinc/78/59/60/1071785960.db2.gz BGHZHOPLKZHJGY-YADHBBJMSA-N 1 0 485.677 3.757 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001314025263 1071785430 /nfs/dbraw/zinc/78/54/30/1071785430.db2.gz LNCVJWHTOJJOMN-UHFFFAOYSA-N 1 0 468.646 3.578 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001314029079 1071797332 /nfs/dbraw/zinc/79/73/32/1071797332.db2.gz AMOZJOZOVKKOFV-HSZRJFAPSA-N 1 0 491.640 3.945 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c(C2CCCC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001314028848 1071796793 /nfs/dbraw/zinc/79/67/93/1071796793.db2.gz HOIRLXYGZLTZFE-UNMCSNQZSA-N 1 0 490.693 3.786 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314028777 1071796291 /nfs/dbraw/zinc/79/62/91/1071796291.db2.gz GRKORXRZDSGQGQ-RTWAWAEBSA-N 1 0 478.682 3.991 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314029858 1071800450 /nfs/dbraw/zinc/80/04/50/1071800450.db2.gz CHYJZURKSCIRTE-SFHVURJKSA-N 1 0 494.587 3.849 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c([C@H]2CCOC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001314035335 1071822406 /nfs/dbraw/zinc/82/24/06/1071822406.db2.gz XKIHNZMNTZWHTF-NHTMILBNSA-N 1 0 498.672 3.654 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)CC)n2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001314036525 1071827399 /nfs/dbraw/zinc/82/73/99/1071827399.db2.gz OKTIXVOGRCUIJU-GOTSBHOMSA-N 1 0 497.688 3.719 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314038573 1071835556 /nfs/dbraw/zinc/83/55/56/1071835556.db2.gz RHANMBPFYMZZAH-FUPPJEDESA-N 1 0 497.688 3.735 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001314037835 1071831862 /nfs/dbraw/zinc/83/18/62/1071831862.db2.gz OLPOPUSIRUPSFG-IRLDBZIGSA-N 1 0 456.635 3.712 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001314038139 1071833037 /nfs/dbraw/zinc/83/30/37/1071833037.db2.gz CVBGZGFXCYSVQY-RBUKOAKNSA-N 1 0 462.664 3.946 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001314038138 1071833074 /nfs/dbraw/zinc/83/30/74/1071833074.db2.gz CVBGZGFXCYSVQY-OALUTQOASA-N 1 0 462.664 3.946 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001314038328 1071833931 /nfs/dbraw/zinc/83/39/31/1071833931.db2.gz XDPMPTYTYWNYJJ-IPMKNSEASA-N 1 0 488.608 3.755 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001314038888 1071836283 /nfs/dbraw/zinc/83/62/83/1071836283.db2.gz LEABSADLWNOZPA-NHCUHLMSSA-N 1 0 469.634 3.628 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001314040965 1071842422 /nfs/dbraw/zinc/84/24/22/1071842422.db2.gz SXXYZZINURXUMX-IRFCIJBXSA-N 1 0 476.666 3.538 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[NH+](CC)CC)C1 ZINC001314041746 1071845979 /nfs/dbraw/zinc/84/59/79/1071845979.db2.gz GERDAQUDDXXTLL-XRXFAXGQSA-N 1 0 478.682 3.642 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccsc2)[NH+](CC)CC)C1 ZINC001314044775 1071858144 /nfs/dbraw/zinc/85/81/44/1071858144.db2.gz VSEQJMPLDLWVPA-PWRODBHTSA-N 1 0 490.674 3.989 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccccc3CC)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314045130 1071859302 /nfs/dbraw/zinc/85/93/02/1071859302.db2.gz YRFNONGIGUPLQH-GGAORHGYSA-N 1 0 498.672 3.866 20 0 JHADRO CCOC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001314047454 1071865653 /nfs/dbraw/zinc/86/56/53/1071865653.db2.gz KZVRCMZPYGZTLG-UHFFFAOYSA-N 1 0 490.096 3.803 20 0 JHADRO CCOC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001314055334 1071880998 /nfs/dbraw/zinc/88/09/98/1071880998.db2.gz NIAVUPUEXZOMSQ-GOTSBHOMSA-N 1 0 477.694 3.910 20 0 JHADRO CCO[C@H](C)c1noc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001314061060 1071897475 /nfs/dbraw/zinc/89/74/75/1071897475.db2.gz CVLUTPHFWLTXQB-WCIQWLHISA-N 1 0 475.638 3.757 20 0 JHADRO CCO[C@H](C)c1noc(CN(C)c2nnc(CC(C)(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001314063633 1071905316 /nfs/dbraw/zinc/90/53/16/1071905316.db2.gz QIIRPERNZSWMCM-CEXWTWQISA-N 1 0 491.681 3.871 20 0 JHADRO CCO[C@H](C)c1noc(CN(C)c2nnc(-c3ccc[nH]3)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001314061974 1071899733 /nfs/dbraw/zinc/89/97/33/1071899733.db2.gz HEWGIVXIVVMDSB-QGZVFWFLSA-N 1 0 456.595 3.655 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CCOC1 ZINC001314073634 1071927269 /nfs/dbraw/zinc/92/72/69/1071927269.db2.gz FRYIUHHUPDQSES-FQRUVTKNSA-N 1 0 471.646 3.955 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC001314075321 1071931248 /nfs/dbraw/zinc/93/12/48/1071931248.db2.gz RAWNTQQPCDQLHJ-AMZDPNTKSA-N 1 0 489.636 3.624 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCCC2)CCOC1 ZINC001314075945 1071932935 /nfs/dbraw/zinc/93/29/35/1071932935.db2.gz XWVIDKXSMKLTMI-OHUGHZGNSA-N 1 0 459.610 3.999 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3ccccc3F)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314083711 1071949341 /nfs/dbraw/zinc/94/93/41/1071949341.db2.gz SESIABZXOKTXDY-OHUGHZGNSA-N 1 0 459.610 3.826 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3ccc(F)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)CCOC1 ZINC001314084290 1071950961 /nfs/dbraw/zinc/95/09/61/1071950961.db2.gz LNYQTOLVTBHORV-NLFFAJNJSA-N 1 0 459.610 3.970 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3ccc(OC)c(O)c3)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001314085710 1071955075 /nfs/dbraw/zinc/95/50/75/1071955075.db2.gz QHLWABLPMQCUAK-SANMLTNESA-N 1 0 487.645 3.545 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@H](C)[C@H](C)C3)n2Cc2ccc(C[NH+](CC)CC)cc2)CCOC1 ZINC001314094474 1071973105 /nfs/dbraw/zinc/97/31/05/1071973105.db2.gz KQYCUKLPNIDEIJ-YZIHRLCOSA-N 1 0 455.647 3.913 20 0 JHADRO CCO[C@]1(c2nnc(N(C)CC3CCCC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CCOC1 ZINC001314095911 1071975910 /nfs/dbraw/zinc/97/59/10/1071975910.db2.gz UHDBBLIXEZKDPY-WIOPSUGQSA-N 1 0 459.610 3.999 20 0 JHADRO CCO[C@@]1(c2nnc(N(Cc3ccco3)C(C)C)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001314099137 1071980984 /nfs/dbraw/zinc/98/09/84/1071980984.db2.gz QHJWRXCWTNDYTM-DEOSSOPVSA-N 1 0 477.675 3.766 20 0 JHADRO CCO[C@@]1(c2nnc(N(CC)Cc3ccc(F)cc3)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001314102384 1071987615 /nfs/dbraw/zinc/98/76/15/1071987615.db2.gz XGCMGRNAKUUKRG-VWLOTQADSA-N 1 0 491.677 3.923 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC(C)(C)c2ccccn2)CCOC1 ZINC001314113500 1072009508 /nfs/dbraw/zinc/00/95/08/1072009508.db2.gz TXZOIVBFLMCTHH-HHHXNRCGSA-N 1 0 484.689 3.860 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(CC)CC3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CCOC1 ZINC001314111288 1072005454 /nfs/dbraw/zinc/00/54/54/1072005454.db2.gz JFURVPQKCQROSU-OZXSUGGESA-N 1 0 471.646 3.868 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCc2cc(C)cc(C)c2)CCOC1 ZINC001314116133 1072014867 /nfs/dbraw/zinc/01/48/67/1072014867.db2.gz BKRYTNHCXCOADU-SANMLTNESA-N 1 0 455.647 3.757 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC([NH+](CC)CC)CC3)n2CCc2sc(C)nc2C)CCOC1 ZINC001314113992 1072010389 /nfs/dbraw/zinc/01/03/89/1072010389.db2.gz HARGCAYSWQLWRO-XMMPIXPASA-N 1 0 476.691 3.557 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(OC(C)C)CC3)n2CC[N@H+](C)C2CCCCC2)CCOC1 ZINC001314117073 1072016525 /nfs/dbraw/zinc/01/65/25/1072016525.db2.gz OKGJVJUCDNFESR-VWLOTQADSA-N 1 0 463.667 3.589 20 0 JHADRO CCO[C@]1(c2nnc(N3CCc4cccc(F)c4[C@H]3C)n2C[C@H](C)[NH+](CC)CC)CCOC1 ZINC001314118792 1072019697 /nfs/dbraw/zinc/01/96/97/1072019697.db2.gz GDTVADMOBRZGIC-OSWQYVSFSA-N 1 0 459.610 3.923 20 0 JHADRO CCO[C@]1(c2nnc(N3CCCC[C@@H](SCC)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001314121124 1072024083 /nfs/dbraw/zinc/02/40/83/1072024083.db2.gz CQCPZIDRNISXSQ-WTEVXDJOSA-N 1 0 495.734 3.542 20 0 JHADRO CCO[C@]1(c2nnc(N3CCCC[C@@H](SC)C3)n2C[C@@H](c2ccco2)[NH+](C)C)CCOC1 ZINC001314124701 1072030612 /nfs/dbraw/zinc/03/06/12/1072030612.db2.gz PWCPQZIFUPYJIL-SELNLUPBSA-N 1 0 463.648 3.548 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCOc2cccc(Cl)c2)CCOC1 ZINC001314125116 1072031637 /nfs/dbraw/zinc/03/16/37/1072031637.db2.gz OATLQCYXCBLFCB-DEOSSOPVSA-N 1 0 478.037 3.583 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](C)Cc2cccs2)CCOC1 ZINC001314134317 1072046274 /nfs/dbraw/zinc/04/62/74/1072046274.db2.gz IJFCAGMSXYETCN-CYFREDJKSA-N 1 0 461.676 3.791 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2Cc2cscc2C(F)(F)F)CCOC1 ZINC001314134952 1072047228 /nfs/dbraw/zinc/04/72/28/1072047228.db2.gz JTOOLNYUUWRLIQ-MGPUTAFESA-N 1 0 473.565 3.589 20 0 JHADRO CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001305927175 1068224900 /nfs/dbraw/zinc/22/49/00/1068224900.db2.gz BUEBZCIVUXCAMS-JQVVWYNYSA-N 1 0 494.606 3.690 20 0 JHADRO CCc1ccc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001305928918 1068228620 /nfs/dbraw/zinc/22/86/20/1068228620.db2.gz NSQZZOWZPUJPQJ-PKTZIBPZSA-N 1 0 452.647 3.731 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC(NC(C)=O)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001305933028 1068233980 /nfs/dbraw/zinc/23/39/80/1068233980.db2.gz DELMMMXRMDNICO-XMMPIXPASA-N 1 0 452.647 3.733 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CCC(=O)NC(C)C)cc1 ZINC001305935361 1068237068 /nfs/dbraw/zinc/23/70/68/1068237068.db2.gz HHQASMVXSFEZQJ-QFIPXVFZSA-N 1 0 452.647 3.734 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001305936547 1068239447 /nfs/dbraw/zinc/23/94/47/1068239447.db2.gz LZZFDYIPCXSVSZ-SZPZYZBQSA-N 1 0 469.674 3.996 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC[N@@H+](CC)C2CC2)cc1 ZINC001305936701 1068240163 /nfs/dbraw/zinc/24/01/63/1068240163.db2.gz CIBOGWZVGVDZFO-UHFFFAOYSA-N 1 0 451.537 3.885 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC(S(=O)(=O)CC)CC3)n2CC[N@@H+](C)[C@H](C)CC)cc1 ZINC001305936972 1068241306 /nfs/dbraw/zinc/24/13/06/1068241306.db2.gz FNAAXSKWRZMISL-LJQANCHMSA-N 1 0 461.676 3.641 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001305937932 1068242953 /nfs/dbraw/zinc/24/29/53/1068242953.db2.gz ZOHYUIYOWXJSBU-UHFFFAOYSA-N 1 0 452.647 3.734 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2CC[N@@H+](CC)C(C)C)cc1 ZINC001305938545 1068244465 /nfs/dbraw/zinc/24/44/65/1068244465.db2.gz FJEWKYKWMLNTLB-QFIPXVFZSA-N 1 0 452.647 3.733 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@H](C(=O)NC)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001305938972 1068245791 /nfs/dbraw/zinc/24/57/91/1068245791.db2.gz KOYJXYOKFAKSQE-GOTSBHOMSA-N 1 0 452.647 3.590 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@H](NC(C)=O)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001305941804 1068252012 /nfs/dbraw/zinc/25/20/12/1068252012.db2.gz NPKKQHNFHCGJNV-REHUZNOOSA-N 1 0 452.647 3.733 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001305945070 1068258291 /nfs/dbraw/zinc/25/82/91/1068258291.db2.gz OSCWBPVNCUIANN-MUUNZHRXSA-N 1 0 482.717 3.909 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(C(C)=O)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001305946939 1068262513 /nfs/dbraw/zinc/26/25/13/1068262513.db2.gz FKLHYCPEGXBPTO-OYRHEFFESA-N 1 0 452.647 3.544 20 0 JHADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001305948365 1068268638 /nfs/dbraw/zinc/26/86/38/1068268638.db2.gz UEFAAMMTUBTCEF-IBGZPJMESA-N 1 0 499.107 3.729 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2CCC(=O)N2CCCCCC2)cc1 ZINC001305948677 1068270605 /nfs/dbraw/zinc/27/06/05/1068270605.db2.gz XRTUPXKZJKALDZ-OAQYLSRUSA-N 1 0 452.647 3.831 20 0 JHADRO CCc1ccc(-c2nnc(N3CCO[C@@H](Cn4cccn4)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001305951838 1068276062 /nfs/dbraw/zinc/27/60/62/1068276062.db2.gz UHNMUIMYJNYUKQ-XMMPIXPASA-N 1 0 465.646 3.728 20 0 JHADRO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001305975178 1068312003 /nfs/dbraw/zinc/31/20/03/1068312003.db2.gz VQPQDFZGYUTTPF-NFBKMPQASA-N 1 0 468.646 3.887 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001305979124 1068321300 /nfs/dbraw/zinc/32/13/00/1068321300.db2.gz LAQWGGBOUJDNAF-HSZRJFAPSA-N 1 0 482.673 3.502 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305981515 1068325726 /nfs/dbraw/zinc/32/57/26/1068325726.db2.gz NZLLNPHYQRINAA-XUZZJYLKSA-N 1 0 485.673 3.516 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@H](COC)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305983798 1068330857 /nfs/dbraw/zinc/33/08/57/1068330857.db2.gz QNSSJWWQGVQMOI-SSPYTLHUSA-N 1 0 485.673 3.780 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCO[C@@H](c3ccco3)C2)n1CC[N@H+](C)C(C)C ZINC001305988044 1068342887 /nfs/dbraw/zinc/34/28/87/1068342887.db2.gz LNIAIZFHJTVBKG-HSZRJFAPSA-N 1 0 453.587 3.931 20 0 JHADRO 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CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(C(C)C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001306048611 1068474476 /nfs/dbraw/zinc/47/44/76/1068474476.db2.gz VTPXQWMTCJEQSI-UHFFFAOYSA-N 1 0 491.128 3.938 20 0 JHADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(C(C)C)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001306048551 1068474608 /nfs/dbraw/zinc/47/46/08/1068474608.db2.gz TYEHTPFSOLYWDY-FQEVSTJZSA-N 1 0 491.128 3.938 20 0 JHADRO CCc1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001306060804 1068499544 /nfs/dbraw/zinc/49/95/44/1068499544.db2.gz DHKPRARVWYWKFB-SFHVURJKSA-N 1 0 469.584 3.901 20 0 JHADRO CCc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001306063563 1068503072 /nfs/dbraw/zinc/50/30/72/1068503072.db2.gz JMMMZKRHXHSAFT-AUMHUTNHSA-N 1 0 457.669 3.895 20 0 JHADRO CCc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001306067306 1068504143 /nfs/dbraw/zinc/50/41/43/1068504143.db2.gz KCQHXJHPKVFACA-UHFFFAOYSA-N 1 0 474.675 3.796 20 0 JHADRO CCc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CCCN(C)CC(F)(F)F ZINC001306070201 1068505285 /nfs/dbraw/zinc/50/52/85/1068505285.db2.gz CRYXGZSNBXLRIZ-UHFFFAOYSA-N 1 0 452.569 3.826 20 0 JHADRO CCc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CC(C)(C)c1cccc(OC)c1 ZINC001306070216 1068505830 /nfs/dbraw/zinc/50/58/30/1068505830.db2.gz CXZIRSIXBPJSRR-UHFFFAOYSA-N 1 0 465.646 3.624 20 0 JHADRO CCc1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001306076519 1068508642 /nfs/dbraw/zinc/50/86/42/1068508642.db2.gz QRROGYRNZLNMLY-SIKLNZKXSA-N 1 0 452.628 3.720 20 0 JHADRO CCc1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001306083751 1068512608 /nfs/dbraw/zinc/51/26/08/1068512608.db2.gz WKYZAUVNYRUQIB-UHFFFAOYSA-N 1 0 457.648 3.945 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001306117816 1068524773 /nfs/dbraw/zinc/52/47/73/1068524773.db2.gz LPARSPMFTHFZEK-NRFANRHFSA-N 1 0 452.647 3.590 20 0 JHADRO CCc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001306121819 1068530563 /nfs/dbraw/zinc/53/05/63/1068530563.db2.gz RAAQEGHPISDEKL-AQNXPRMDSA-N 1 0 492.709 3.858 20 0 JHADRO CCc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCCCn1cc(Br)cn1 ZINC001306134365 1068537436 /nfs/dbraw/zinc/53/74/36/1068537436.db2.gz ZOAZETIXMMNTRL-UHFFFAOYSA-N 1 0 466.472 3.837 20 0 JHADRO CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1cc(Cl)ccc1OC ZINC001306135512 1068538113 /nfs/dbraw/zinc/53/81/13/1068538113.db2.gz AIJUBQNFCFXNPB-HDICACEKSA-N 1 0 462.038 3.876 20 0 JHADRO CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 ZINC001306136079 1068539202 /nfs/dbraw/zinc/53/92/02/1068539202.db2.gz HYMHDLJHELOFJO-VSKRKVRLSA-N 1 0 496.700 3.743 20 0 JHADRO CCc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001306136437 1068539668 /nfs/dbraw/zinc/53/96/68/1068539668.db2.gz MIMZRJAMHOOCGO-HXUWFJFHSA-N 1 0 456.601 3.817 20 0 JHADRO CCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001306141404 1068542710 /nfs/dbraw/zinc/54/27/10/1068542710.db2.gz FZJXEKNBDOLKOC-UHFFFAOYSA-N 1 0 494.606 3.977 20 0 JHADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001306143238 1068545394 /nfs/dbraw/zinc/54/53/94/1068545394.db2.gz FUIHPFXRCWNBGJ-TYPHKJRUSA-N 1 0 460.667 3.987 20 0 JHADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001306143235 1068545450 /nfs/dbraw/zinc/54/54/50/1068545450.db2.gz FUIHPFXRCWNBGJ-GIVPXCGWSA-N 1 0 460.667 3.987 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001306143302 1068545475 /nfs/dbraw/zinc/54/54/75/1068545475.db2.gz HNSDVJHDFZIWTO-QFIPXVFZSA-N 1 0 455.651 3.997 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001306144720 1068547409 /nfs/dbraw/zinc/54/74/09/1068547409.db2.gz SZVZCGMWUFZYCP-OAQYLSRUSA-N 1 0 481.689 3.962 20 0 JHADRO CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1cc(Br)ccc1OC ZINC001306149897 1068552105 /nfs/dbraw/zinc/55/21/05/1068552105.db2.gz SDLMPKHLUAUPNY-UHFFFAOYSA-N 1 0 492.462 3.741 20 0 JHADRO CCc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001306163887 1068559191 /nfs/dbraw/zinc/55/91/91/1068559191.db2.gz DBSBWRQVYHWEPL-SIKLNZKXSA-N 1 0 466.655 3.851 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001306164265 1068559696 /nfs/dbraw/zinc/55/96/96/1068559696.db2.gz GWDUGUZJWCOZQX-RTWAWAEBSA-N 1 0 462.683 3.950 20 0 JHADRO CCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001306164719 1068560116 /nfs/dbraw/zinc/56/01/16/1068560116.db2.gz APGYCRALXLCMAT-UNMCSNQZSA-N 1 0 486.661 3.988 20 0 JHADRO CCc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001306166908 1068562653 /nfs/dbraw/zinc/56/26/53/1068562653.db2.gz XLFUJXAPWDEROB-LJQANCHMSA-N 1 0 484.636 3.949 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3cc(C)oc3C)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001306183621 1068574278 /nfs/dbraw/zinc/57/42/78/1068574278.db2.gz HDKFHYBUWMIQQY-HXUWFJFHSA-N 1 0 478.641 3.923 20 0 JHADRO CCc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001306184019 1068574352 /nfs/dbraw/zinc/57/43/52/1068574352.db2.gz CLKWPVUTWWPYPW-NRFANRHFSA-N 1 0 458.695 3.970 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001306185857 1068576544 /nfs/dbraw/zinc/57/65/44/1068576544.db2.gz TYZGBDMWZRQUIH-JOCHJYFZSA-N 1 0 473.065 3.967 20 0 JHADRO CCc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001306186068 1068577437 /nfs/dbraw/zinc/57/74/37/1068577437.db2.gz RDDWTAFYFKDARO-HSZRJFAPSA-N 1 0 470.637 3.902 20 0 JHADRO CCc1nnc(N2CCN(c3nc4ccccc4o3)CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001306198727 1068591126 /nfs/dbraw/zinc/59/11/26/1068591126.db2.gz QCYUAWPHFPHNKH-UHFFFAOYSA-N 1 0 465.524 3.583 20 0 JHADRO CCc1nnc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306206179 1068597397 /nfs/dbraw/zinc/59/73/97/1068597397.db2.gz ZAGLREMZHMZXKR-OYRHEFFESA-N 1 0 472.653 3.678 20 0 JHADRO CCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1Cc1ccccc1Br ZINC001306208875 1068600706 /nfs/dbraw/zinc/60/07/06/1068600706.db2.gz JFWQBIPTUXYRNZ-RTBURBONSA-N 1 0 475.479 3.646 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001306214177 1068602789 /nfs/dbraw/zinc/60/27/89/1068602789.db2.gz GODKLWISMCIEMQ-WFXMLNOXSA-N 1 0 492.462 3.680 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001306222072 1068609480 /nfs/dbraw/zinc/60/94/80/1068609480.db2.gz RAKWXZIVUDJKSH-NRFANRHFSA-N 1 0 467.618 3.815 20 0 JHADRO CCc1noc([C@H](C)N2CCN(c3nnc([C@H](C)CC)n3C[C@H](C(C)C)[NH+]3CCCC3)CC2)n1 ZINC001306230312 1068616313 /nfs/dbraw/zinc/61/63/13/1068616313.db2.gz QERKSJIQCWPAHK-QHAWAJNXSA-N 1 0 472.682 3.741 20 0 JHADRO CCc1noc([C@@H](C)N2CCN(c3nnc(-c4ccccc4F)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001306232853 1068622707 /nfs/dbraw/zinc/62/27/07/1068622707.db2.gz WBBWMLCHXWZSFM-LJQANCHMSA-N 1 0 484.624 3.643 20 0 JHADRO CCc1noc(C)c1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001306233696 1068625309 /nfs/dbraw/zinc/62/53/09/1068625309.db2.gz XEXCOUDTVBFLQP-CABCVRRESA-N 1 0 490.450 3.872 20 0 JHADRO CCc1noc(C)c1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001306235332 1068628065 /nfs/dbraw/zinc/62/80/65/1068628065.db2.gz SKAWEWWEZUJRAL-IAGOWNOFSA-N 1 0 468.602 3.788 20 0 JHADRO CCc1nsc(N2CCCN(c3nnc(CC(C)C)n3C[C@H](C)[NH+]3CCC(C)CC3)CC2)n1 ZINC001306240722 1068641225 /nfs/dbraw/zinc/64/12/25/1068641225.db2.gz JNFMZQZKMZBBHZ-FQEVSTJZSA-N 1 0 474.723 3.728 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001306244269 1068648098 /nfs/dbraw/zinc/64/80/98/1068648098.db2.gz ASLUOEKMIKCECO-GHTZIAJQSA-N 1 0 490.599 3.916 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CC[NH+]1CCCCCC1 ZINC001306244618 1068648648 /nfs/dbraw/zinc/64/86/48/1068648648.db2.gz CEBDZFLCJKMTIB-HXUWFJFHSA-N 1 0 489.462 3.607 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001306246581 1068654067 /nfs/dbraw/zinc/65/40/67/1068654067.db2.gz UYWOXLQTZWMPRT-NQIIRXRSSA-N 1 0 489.064 3.690 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001306246615 1068654656 /nfs/dbraw/zinc/65/46/56/1068654656.db2.gz UOELRAHBUYLTBN-KCZVDYSFSA-N 1 0 486.636 3.640 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccccc2Br)n1CCC[NH+](C(C)C)C(C)C ZINC001306250216 1068660509 /nfs/dbraw/zinc/66/05/09/1068660509.db2.gz WTRMVNSBCQNURF-FQEVSTJZSA-N 1 0 491.478 3.931 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2C)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306254300 1068662306 /nfs/dbraw/zinc/66/23/06/1068662306.db2.gz IQBOESHGKPWLII-ZFGGDYGUSA-N 1 0 466.674 3.650 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001306259321 1068667556 /nfs/dbraw/zinc/66/75/56/1068667556.db2.gz FFDHRERXDNYJLA-OALUTQOASA-N 1 0 489.045 3.590 20 0 JHADRO CC[C@H]1C[C@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[NH+]1CCCCC1 ZINC001306289247 1068706919 /nfs/dbraw/zinc/70/69/19/1068706919.db2.gz UYYRGDCIORFXOX-FPOVZHCZSA-N 1 0 459.660 3.849 20 0 JHADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001306297087 1068714639 /nfs/dbraw/zinc/71/46/39/1068714639.db2.gz MSWHBNXUZJBXKR-KCPMXOJXSA-N 1 0 455.647 3.846 20 0 JHADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306304827 1068722099 /nfs/dbraw/zinc/72/20/99/1068722099.db2.gz WVXHJYFBXPTEKL-ZBNTXBBCSA-N 1 0 480.723 3.558 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001306317549 1068738394 /nfs/dbraw/zinc/73/83/94/1068738394.db2.gz KRTPVQGMMUESIK-DEOSSOPVSA-N 1 0 452.647 3.523 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001306318283 1068741439 /nfs/dbraw/zinc/74/14/39/1068741439.db2.gz FQWPUUYRQLITBX-CTNGQTDRSA-N 1 0 463.630 3.576 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001306318340 1068741519 /nfs/dbraw/zinc/74/15/19/1068741519.db2.gz NGTDIYYXOCEHNR-HSZRJFAPSA-N 1 0 496.656 3.801 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCOCC1 ZINC001306319293 1068744808 /nfs/dbraw/zinc/74/48/08/1068744808.db2.gz SKRKNFQPMASHEI-KRWDZBQOSA-N 1 0 478.435 3.817 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C)C1 ZINC001306319614 1068745987 /nfs/dbraw/zinc/74/59/87/1068745987.db2.gz VLDFKAJLVMTECJ-WMZOPIPTSA-N 1 0 465.440 3.536 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001306319775 1068746632 /nfs/dbraw/zinc/74/66/32/1068746632.db2.gz WOHXYNLIEBJHFK-RBBKRZOGSA-N 1 0 489.064 3.599 20 0 JHADRO 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CCCC(=O)NC1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001306513331 1069111738 /nfs/dbraw/zinc/11/17/38/1069111738.db2.gz VMXNDPPBELPGTL-HXUWFJFHSA-N 1 0 490.656 3.750 20 0 JHADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC001310705830 1069123011 /nfs/dbraw/zinc/12/30/11/1069123011.db2.gz BITIBMAMLDWKDB-IBGZPJMESA-N 1 0 452.530 3.903 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCCCC2)C1 ZINC001306516878 1069124385 /nfs/dbraw/zinc/12/43/85/1069124385.db2.gz HFOLIGYDJDMZJM-HXUWFJFHSA-N 1 0 488.627 3.766 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@@H](C)[NH+](C)C)C1 ZINC001306517752 1069129285 /nfs/dbraw/zinc/12/92/85/1069129285.db2.gz BPVFWDVPGRMBEL-MOPGFXCFSA-N 1 0 451.619 3.509 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001306518591 1069133753 /nfs/dbraw/zinc/13/37/53/1069133753.db2.gz FDIRAUSPSHSPGI-YADHBBJMSA-N 1 0 474.694 3.917 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001306520392 1069140097 /nfs/dbraw/zinc/14/00/97/1069140097.db2.gz YZLIJQHTJMFZQN-BDTNDASRSA-N 1 0 490.737 3.887 20 0 JHADRO CCCN(C)[C@H](CNC(=O)Nc1ccc(OC)cc1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC001310751149 1069149805 /nfs/dbraw/zinc/14/98/05/1069149805.db2.gz LNSVSCXTFUIDDC-LJQANCHMSA-N 1 0 453.992 3.957 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001306530642 1069169839 /nfs/dbraw/zinc/16/98/39/1069169839.db2.gz RJQUBYCKSZEYSG-RUZDIDTESA-N 1 0 486.064 3.947 20 0 JHADRO CCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001306534829 1069178773 /nfs/dbraw/zinc/17/87/73/1069178773.db2.gz HPDZTQMCWFKYPU-BWKNWUBXSA-N 1 0 459.610 3.575 20 0 JHADRO O=C(Nc1ccc(Cl)cc1OCC(F)F)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001310824123 1069179199 /nfs/dbraw/zinc/17/91/99/1069179199.db2.gz SPOZJDWCZIYWDG-FUHWJXTLSA-N 1 0 453.917 3.988 20 0 JHADRO Cc1c(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)cccc1S(=O)(=O)N(C)C ZINC001310869322 1069201246 /nfs/dbraw/zinc/20/12/46/1069201246.db2.gz ISUVSLJQMGDNJT-YSIASYRMSA-N 1 0 458.628 3.761 20 0 JHADRO CSC1(CNC(=O)Nc2c(F)cc(I)cc2F)CC[NH+](C)CC1 ZINC001310874087 1069202103 /nfs/dbraw/zinc/20/21/03/1069202103.db2.gz ADLVRPCYCDNMLZ-UHFFFAOYSA-N 1 0 455.312 3.518 20 0 JHADRO O=C(NCCCCC[NH+]1CCCC1)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC001310874844 1069202688 /nfs/dbraw/zinc/20/26/88/1069202688.db2.gz NBMZPPVQUJMEDR-UHFFFAOYSA-N 1 0 457.388 3.812 20 0 JHADRO CC(C)(C)OC(=O)NCC[C@@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)C(F)(F)F ZINC001310883074 1069208422 /nfs/dbraw/zinc/20/84/22/1069208422.db2.gz AKJBOIZARRGMPS-GOSISDBHSA-N 1 0 458.525 3.580 20 0 JHADRO COC(=O)Cc1ccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC001310895148 1069212842 /nfs/dbraw/zinc/21/28/42/1069212842.db2.gz KAMNRBSRVGRDGT-UHFFFAOYSA-N 1 0 457.546 3.734 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001306550963 1069214311 /nfs/dbraw/zinc/21/43/11/1069214311.db2.gz WRENSDLQAPZUBI-NRFANRHFSA-N 1 0 452.647 3.952 20 0 JHADRO CC[C@H](CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC001310932702 1069225870 /nfs/dbraw/zinc/22/58/70/1069225870.db2.gz VPQWOTRCHJWQCR-MSOLQXFVSA-N 1 0 458.525 3.578 20 0 JHADRO O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001310978774 1069238494 /nfs/dbraw/zinc/23/84/94/1069238494.db2.gz ZFAQECCQHSNPQX-IRXDYDNUSA-N 1 0 457.987 3.863 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001306575717 1069241696 /nfs/dbraw/zinc/24/16/96/1069241696.db2.gz WEUKWDZVFHUZTB-LJQANCHMSA-N 1 0 451.623 3.668 20 0 JHADRO CCS(=O)(=O)N(C)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC001311007018 1069246200 /nfs/dbraw/zinc/24/62/00/1069246200.db2.gz ABRJNIRKSRXYIE-UHFFFAOYSA-N 1 0 453.008 3.722 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C3CCC3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306583432 1069247502 /nfs/dbraw/zinc/24/75/02/1069247502.db2.gz AFYITXWWVGFSFR-PZJWPPBQSA-N 1 0 476.735 3.894 20 0 JHADRO O=C(Nc1cccc(-c2nnsc2Cl)c1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001311041668 1069256310 /nfs/dbraw/zinc/25/63/10/1069256310.db2.gz FYZSVPLBLHQKSA-HKUYNNGSSA-N 1 0 457.987 3.863 20 0 JHADRO CCC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)OC ZINC001306591027 1069259858 /nfs/dbraw/zinc/25/98/58/1069259858.db2.gz VEJGDJVBPDMWAH-OFNKIYASSA-N 1 0 457.667 3.975 20 0 JHADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 ZINC001311062253 1069261769 /nfs/dbraw/zinc/26/17/69/1069261769.db2.gz CVCHMWNGCIFIJL-AWEZNQCLSA-N 1 0 458.422 3.555 20 0 JHADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)Nc2cccc3c2OC(C)(C)CC3=O)c1 ZINC001311081320 1069267172 /nfs/dbraw/zinc/26/71/72/1069267172.db2.gz GSSRZAOKWZPCJD-UHFFFAOYSA-N 1 0 455.555 3.709 20 0 JHADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)Nc1nnc(-c2c(F)cccc2F)s1 ZINC001311091691 1069270518 /nfs/dbraw/zinc/27/05/18/1069270518.db2.gz GCCYNLMPNDLQKG-UHFFFAOYSA-N 1 0 459.522 3.762 20 0 JHADRO CCOC(=O)c1ccc(I)c(NC(=O)NCC2([NH2+]C)CCCCC2)c1 ZINC001311114848 1069277378 /nfs/dbraw/zinc/27/73/78/1069277378.db2.gz QBPVJEPLNOHGTI-UHFFFAOYSA-N 1 0 459.328 3.512 20 0 JHADRO COc1ccnc(OC)c1NC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001311162778 1069286593 /nfs/dbraw/zinc/28/65/93/1069286593.db2.gz HANWOVLLPUCENV-UHFFFAOYSA-N 1 0 459.978 3.571 20 0 JHADRO CN(C[C@@H]1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1)C(=O)OC(C)(C)C ZINC001311164136 1069287179 /nfs/dbraw/zinc/28/71/79/1069287179.db2.gz UVJZDJNKOPKOBN-SIKLNZKXSA-N 1 0 457.619 3.692 20 0 JHADRO CCOc1c(OC)cc(CNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1OC ZINC001311163975 1069287315 /nfs/dbraw/zinc/28/73/15/1069287315.db2.gz QVMCKCVYQYOREY-OAQYLSRUSA-N 1 0 454.571 3.709 20 0 JHADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001311164360 1069287808 /nfs/dbraw/zinc/28/78/08/1069287808.db2.gz VKFNLXPZWOXEGM-VIZSFHNOSA-N 1 0 471.646 3.986 20 0 JHADRO C[C@@H]([NH2+]C1(CNC(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)CCOCC1)c1ccccc1 ZINC001311173260 1069288825 /nfs/dbraw/zinc/28/88/25/1069288825.db2.gz YZCKLRMXTKJJTI-KOSHJBKYSA-N 1 0 452.555 3.663 20 0 JHADRO C[C@@H]([NH2+]C1(CNC(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)CCOCC1)c1ccccc1 ZINC001311173258 1069289057 /nfs/dbraw/zinc/28/90/57/1069289057.db2.gz YZCKLRMXTKJJTI-HOYKHHGWSA-N 1 0 452.555 3.663 20 0 JHADRO CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCC[NH2+]C(C)(C)C)c2)cc1 ZINC001306614235 1069293792 /nfs/dbraw/zinc/29/37/92/1069293792.db2.gz NVFAPEQMMUPZRW-UHFFFAOYSA-N 1 0 453.992 3.657 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2CC2(OC)CCC(C)CC2)CC[N@@H+]1CCOC ZINC001306621108 1069308243 /nfs/dbraw/zinc/30/82/43/1069308243.db2.gz MQDUVTHLSHURIT-GUXMJAIHSA-N 1 0 472.678 3.816 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccn3C)n2CC2(OC)CCC(C)CC2)CC[N@@H+]1CCOC ZINC001306621109 1069308891 /nfs/dbraw/zinc/30/88/91/1069308891.db2.gz MQDUVTHLSHURIT-HCYSDIRSSA-N 1 0 472.678 3.816 20 0 JHADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164401739 718863205 /nfs/dbraw/zinc/86/32/05/718863205.db2.gz HTLUAQSKTDTZPP-WMLDXEAASA-N 1 0 487.334 3.500 20 0 JHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCO[C@H]5C[NH2+]CC[C@@H]5C4)c23)C1 ZINC001164404087 718864360 /nfs/dbraw/zinc/86/43/60/718864360.db2.gz ACLFTSOXQGMLJQ-GGPKGHCWSA-N 1 0 455.672 3.617 20 0 JHADRO Cc1nc2c(n1-c1nc(CN3CCCCC3)nc3sc4c(c31)CC[C@H](C)C4)CC[NH2+]CC2 ZINC001164428035 718949191 /nfs/dbraw/zinc/94/91/91/718949191.db2.gz HVSJEQYYAYRFFG-INIZCTEOSA-N 1 0 450.656 3.984 20 0 JHADRO O=S(=O)(Nc1nc2ccccc2nc1Cl)c1cccc(C(F)(F)N2CCC[C@@H]3[NH2+]C[C@H]32)c1 ZINC001164447624 719000125 /nfs/dbraw/zinc/00/01/25/719000125.db2.gz CUYIMMBPSZJXHG-ZWKOTPCHSA-N 1 0 479.940 3.570 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)CC2)CC1 ZINC001164614499 719023496 /nfs/dbraw/zinc/02/34/96/719023496.db2.gz UAFGXQITHUSMPY-UHFFFAOYSA-N 1 0 463.022 3.605 20 0 JHADRO CCOC(=O)c1cnc(Cl)c(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)c1Cl ZINC001164614776 719023800 /nfs/dbraw/zinc/02/38/00/719023800.db2.gz YEENGGWLPVTIFE-UHFFFAOYSA-N 1 0 458.386 3.809 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)ncc3OCc3ccccc3)CC2)CC1 ZINC001164616423 719027207 /nfs/dbraw/zinc/02/72/07/719027207.db2.gz DRWUPUUJEMGPBR-UHFFFAOYSA-N 1 0 458.990 3.953 20 0 JHADRO F[C@]1(N2CCC(C3C[NH2+]C3)CC2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164614359 719036781 /nfs/dbraw/zinc/03/67/81/719036781.db2.gz ATUQXLUHQKZIQS-QFIPXVFZSA-N 1 0 450.389 3.853 20 0 JHADRO c1ccc([C@@H]2C[NH2+]C[C@]23CCN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCCC5)C3)cc1 ZINC001164618342 719047454 /nfs/dbraw/zinc/04/74/54/719047454.db2.gz ARHOFTQPLONXBY-DWACAAAGSA-N 1 0 489.689 3.986 20 0 JHADRO c1ccc([C@@H]2C[NH2+]C[C@@]23CCN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCCC5)C3)cc1 ZINC001164618343 719047780 /nfs/dbraw/zinc/04/77/80/719047780.db2.gz ARHOFTQPLONXBY-RBISFHTESA-N 1 0 489.689 3.986 20 0 JHADRO [NH3+]C1([C@@H]2CN([C@@]3(F)CN(Cc4ccccc4)Cc4c(Cl)nc(Cl)nc43)C[C@@H]2CF)CC1 ZINC001164620049 719119954 /nfs/dbraw/zinc/11/99/54/719119954.db2.gz GORSJONVYSZACR-JIGPKXGUSA-N 1 0 468.379 3.930 20 0 JHADRO [NH3+]C1([C@@H]2CN([C@@]3(F)CN(Cc4ccccc4)Cc4c(Cl)nc(Cl)nc43)C[C@H]2CF)CC1 ZINC001164620062 719119958 /nfs/dbraw/zinc/11/99/58/719119958.db2.gz GORSJONVYSZACR-JLDZCNIISA-N 1 0 468.379 3.930 20 0 JHADRO O=S1(=O)c2ccccc2[C@@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)N1Cc1ccccc1 ZINC001164650394 719322831 /nfs/dbraw/zinc/32/28/31/719322831.db2.gz DIHDLUZYVLINGS-MHZLTWQESA-N 1 0 474.630 3.988 20 0 JHADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164660886 719355455 /nfs/dbraw/zinc/35/54/55/719355455.db2.gz ZIYXQVAZHUEJGE-UHFFFAOYSA-N 1 0 487.652 3.550 20 0 JHADRO COc1cc2c(cc1OCc1ccccc1)ncnc2-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683083 719610311 /nfs/dbraw/zinc/61/03/11/719610311.db2.gz HJAIGZBOSRHSPU-UHFFFAOYSA-N 1 0 472.593 3.889 20 0 JHADRO CCOC(=O)c1ccc(C)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681371 719655361 /nfs/dbraw/zinc/65/53/61/719655361.db2.gz MOMDLNRUSKYNAP-NRFANRHFSA-N 1 0 478.637 3.660 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4[nH]cc(F)c43)CC2)c2ccccc21 ZINC001164681901 719656494 /nfs/dbraw/zinc/65/64/94/719656494.db2.gz SGUNCIAQNUZXBA-MRXNPFEDSA-N 1 0 485.007 3.844 20 0 JHADRO COC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681658 719658224 /nfs/dbraw/zinc/65/82/24/719658224.db2.gz POJPDHJMRBIADI-IBGZPJMESA-N 1 0 485.028 3.615 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4cc(F)ccc43)CC2)c2ccccc21 ZINC001164685192 719659060 /nfs/dbraw/zinc/65/90/60/719659060.db2.gz YLWQGNLVMGBRHL-IBGZPJMESA-N 1 0 461.585 3.862 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN([C@H](F)Oc3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164683108 719663937 /nfs/dbraw/zinc/66/39/37/719663937.db2.gz USOMXDPMTOQJMK-KOSHJBKYSA-N 1 0 475.008 3.956 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnc4ccc(F)cc4n3)CC2)c2ccccc21 ZINC001164680704 719665712 /nfs/dbraw/zinc/66/57/12/719665712.db2.gz HBYQSVLYOJMBIR-LJQANCHMSA-N 1 0 461.585 3.862 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnc(-c4ccco4)cn3)CC2)c2ccccc21 ZINC001164685800 719665931 /nfs/dbraw/zinc/66/59/31/719665931.db2.gz WCADSSQHNLBTGN-HXUWFJFHSA-N 1 0 459.594 3.830 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4c3C(=O)OC4(C)C)CC2)c2ccccc21 ZINC001164686809 719666338 /nfs/dbraw/zinc/66/63/38/719666338.db2.gz WYSRWWREQDSZFD-LJQANCHMSA-N 1 0 476.621 3.581 20 0 JHADRO CC(C)n1cnc2cnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc21 ZINC001164686815 719677638 /nfs/dbraw/zinc/67/76/38/719677638.db2.gz XAWVFZSOTQSQKD-HXUWFJFHSA-N 1 0 475.641 3.501 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(-c4ccco4)nn3)CC2)c2ccccc21 ZINC001164685776 719679508 /nfs/dbraw/zinc/67/95/08/719679508.db2.gz VXMVNKYPFURDFZ-HXUWFJFHSA-N 1 0 459.594 3.830 20 0 JHADRO CC(C)COc1nccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164688220 719679921 /nfs/dbraw/zinc/67/99/21/719679921.db2.gz YEUBDSKKJXFDMC-NRFANRHFSA-N 1 0 465.642 3.605 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164686781 719715892 /nfs/dbraw/zinc/71/58/92/719715892.db2.gz SGYMERWGLRPXAO-UHFFFAOYSA-N 1 0 474.339 3.542 20 0 JHADRO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164692785 719813259 /nfs/dbraw/zinc/81/32/59/719813259.db2.gz RWBNFCRNMJRHOW-UHFFFAOYSA-N 1 0 463.673 3.512 20 0 JHADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164694946 719887981 /nfs/dbraw/zinc/88/79/81/719887981.db2.gz HXNQJMBNCILEJV-UHFFFAOYSA-N 1 0 457.978 3.674 20 0 JHADRO CC1CCN(C(=O)c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2)CC1 ZINC001164697559 719897775 /nfs/dbraw/zinc/89/77/75/719897775.db2.gz KXOOFJCQJWOUAU-UHFFFAOYSA-N 1 0 454.640 3.887 20 0 JHADRO COCc1nn(-c2nc(CN3CCCCC3)nc3sc4c(c32)CC[C@@H](C)C4)c2c1C[NH2+]C2 ZINC001164710492 720079423 /nfs/dbraw/zinc/07/94/23/720079423.db2.gz IXDLOPTVMUOCFS-OAHLLOKOSA-N 1 0 452.628 3.737 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)CC2 ZINC001164716328 720109363 /nfs/dbraw/zinc/10/93/63/720109363.db2.gz KHRAQLOBFPDFHG-IBGZPJMESA-N 1 0 494.970 3.969 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164715471 720117683 /nfs/dbraw/zinc/11/76/83/720117683.db2.gz FZJWSOCPJYIEOP-XMMPIXPASA-N 1 0 459.594 3.958 20 0 JHADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164715499 720123285 /nfs/dbraw/zinc/12/32/85/720123285.db2.gz GLSDJXHTWFRGIJ-QGZVFWFLSA-N 1 0 494.423 3.863 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(N)cc(Cl)n1)CC2 ZINC001164716993 720125617 /nfs/dbraw/zinc/12/56/17/720125617.db2.gz MXSTVZCQUPNQLY-SFHVURJKSA-N 1 0 451.949 3.765 20 0 JHADRO CCOC(=O)c1c(C)cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1C ZINC001164717492 720125657 /nfs/dbraw/zinc/12/56/57/720125657.db2.gz PNTGWWGFZJNNFP-JOCHJYFZSA-N 1 0 452.599 3.778 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N3CCC(C)CC3)cn1)CC2 ZINC001164714859 720139967 /nfs/dbraw/zinc/13/99/67/720139967.db2.gz ZWVZOPSPBKVCPK-RUZDIDTESA-N 1 0 477.653 3.856 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)CC2 ZINC001164713588 720141467 /nfs/dbraw/zinc/14/14/67/720141467.db2.gz SIFHQABIYVMXMP-RCZVLFRGSA-N 1 0 477.653 3.856 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCC[C@@H](C)C3)ncn1)CC2 ZINC001164710805 720149595 /nfs/dbraw/zinc/14/95/95/720149595.db2.gz CVJMIDYXZHMQEW-GGAORHGYSA-N 1 0 450.631 3.615 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)c(OC)c3ccccc31)CC2 ZINC001164711108 720149989 /nfs/dbraw/zinc/14/99/89/720149989.db2.gz FJXSIRZLFJFVGD-NRFANRHFSA-N 1 0 490.604 3.933 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)CC2 ZINC001164710836 720153111 /nfs/dbraw/zinc/15/31/11/720153111.db2.gz DNKJXROCIIYLPZ-GOSISDBHSA-N 1 0 480.991 3.643 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164714071 720157580 /nfs/dbraw/zinc/15/75/80/720157580.db2.gz OCGBUHPFPNDDAE-SFHVURJKSA-N 1 0 467.664 3.833 20 0 JHADRO Cn1nnc2c1CCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164715415 720174212 /nfs/dbraw/zinc/17/42/12/720174212.db2.gz BJQHIBNFVQAHGT-SFHVURJKSA-N 1 0 496.830 3.935 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001164820220 720176779 /nfs/dbraw/zinc/17/67/79/720176779.db2.gz ZUBAZLCGZLSAKG-HTAPYJJXSA-N 1 0 463.960 3.922 20 0 JHADRO Cn1nnc2c1CCN(c1nnc(Cc3ccccc3)c3ccccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164713230 720195487 /nfs/dbraw/zinc/19/54/87/720195487.db2.gz ABPKYPUMQKBAFE-SANMLTNESA-N 1 0 483.620 3.565 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CCC2 ZINC001164811669 720216227 /nfs/dbraw/zinc/21/62/27/720216227.db2.gz JLALOTYGWCTKBA-UHFFFAOYSA-N 1 0 480.922 3.774 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)CCC2 ZINC001164814762 720224461 /nfs/dbraw/zinc/22/44/61/720224461.db2.gz YRYTWHJFEHCXGC-UHFFFAOYSA-N 1 0 498.990 3.934 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nc3ccsc3c(Cl)n2)CC1 ZINC001164828266 720304315 /nfs/dbraw/zinc/30/43/15/720304315.db2.gz ZOCCVEFGIQJLTL-HOTGVXAUSA-N 1 0 469.989 3.801 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3cnc(Cl)nc3c2)CC1 ZINC001164831417 720325767 /nfs/dbraw/zinc/32/57/67/720325767.db2.gz RYYPNEYLJSNUBO-WOJBJXKFSA-N 1 0 463.960 3.740 20 0 JHADRO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2C)cc1 ZINC001164827779 720335462 /nfs/dbraw/zinc/33/54/62/720335462.db2.gz IOWOCZKKKDHMRQ-LOSJGSFVSA-N 1 0 476.621 3.755 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c(-c4ccccc4)nsc32)CC1 ZINC001164830761 720339914 /nfs/dbraw/zinc/33/99/14/720339914.db2.gz WWLZEDNCKFWZDM-WOJBJXKFSA-N 1 0 462.623 3.665 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2OCc2ccc(F)cc2)CC1 ZINC001164822840 720343782 /nfs/dbraw/zinc/34/37/82/720343782.db2.gz FULHQCLAQSDIEP-PKTZIBPZSA-N 1 0 452.574 3.711 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)CC[C@@H]21 ZINC001164832478 720518983 /nfs/dbraw/zinc/51/89/83/720518983.db2.gz AYVFQHXJKAPFKO-FHWLQOOXSA-N 1 0 480.007 3.849 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837936 720532115 /nfs/dbraw/zinc/53/21/15/720532115.db2.gz MRBXBGZGKVCSON-SFHLNBCPSA-N 1 0 480.638 3.956 20 0 JHADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835402 720537349 /nfs/dbraw/zinc/53/73/49/720537349.db2.gz HCHVPMAULJUEAB-XYJFISCASA-N 1 0 467.948 3.641 20 0 JHADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835838 720543286 /nfs/dbraw/zinc/54/32/86/720543286.db2.gz IDGRSYXHUOFLCW-YESZJQIVSA-N 1 0 479.050 3.603 20 0 JHADRO CC(C)(C)N(c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164735839 720545699 /nfs/dbraw/zinc/54/56/99/720545699.db2.gz SECJCODIKDYJRI-DEOSSOPVSA-N 1 0 491.680 3.556 20 0 JHADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836304 720578478 /nfs/dbraw/zinc/57/84/78/720578478.db2.gz FQOCLELYDUNPOV-ZRCGQRJVSA-N 1 0 498.672 3.932 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc(Cl)c2c1 ZINC001164736471 720586680 /nfs/dbraw/zinc/58/66/80/720586680.db2.gz KXIQDRMQXZDCJV-UHFFFAOYSA-N 1 0 462.932 3.692 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841492 720589167 /nfs/dbraw/zinc/58/91/67/720589167.db2.gz SIBOJECIBYXYOT-OWCLPIDISA-N 1 0 459.372 3.989 20 0 JHADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164835621 720589702 /nfs/dbraw/zinc/58/97/02/720589702.db2.gz BUXJSQMYIHWWSK-ZHALLVOQSA-N 1 0 467.948 3.641 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164838390 720713922 /nfs/dbraw/zinc/71/39/22/720713922.db2.gz IWFHMJMKSDAVIH-MRXNPFEDSA-N 1 0 462.932 3.763 20 0 JHADRO c1ccc(COc2ccc3nc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)ccc3c2)cc1 ZINC001164741028 720718277 /nfs/dbraw/zinc/71/82/77/720718277.db2.gz RXSJAHAFZDMOPU-VWNXMTODSA-N 1 0 453.546 3.946 20 0 JHADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164742628 720719184 /nfs/dbraw/zinc/71/91/84/720719184.db2.gz WDIUVOQZWCZSQX-RTBURBONSA-N 1 0 456.525 3.876 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164840428 720728072 /nfs/dbraw/zinc/72/80/72/720728072.db2.gz QXTABTATALWLCT-PMACEKPBSA-N 1 0 458.990 3.558 20 0 JHADRO Fc1ccc(-c2nnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1F ZINC001164744151 720761056 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CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN([C@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C3)O2)CC1 ZINC001164895399 721441475 /nfs/dbraw/zinc/44/14/75/721441475.db2.gz OJCCKFRLHBNXMI-TUSQITKMSA-N 1 0 490.023 3.690 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C3)O2)CC1 ZINC001164895839 721442626 /nfs/dbraw/zinc/44/26/26/721442626.db2.gz QGPRKNWNRJDQEA-NLFFAJNJSA-N 1 0 480.638 3.626 20 0 JHADRO Cc1nc(COC[C@H]2CCC[C@]23CN(c2cccc(OCC[NH+]4CCCC4)n2)CCO3)cs1 ZINC001164785127 721444448 /nfs/dbraw/zinc/44/44/48/721444448.db2.gz RSDIAPUSOMMKFR-BWKNWUBXSA-N 1 0 472.655 3.913 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)nc3c1CCCC3)CC2 ZINC001164784260 721458963 /nfs/dbraw/zinc/45/89/63/721458963.db2.gz HGPXAHIEIYJEKF-FQEVSTJZSA-N 1 0 460.688 3.811 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164789389 721459545 /nfs/dbraw/zinc/45/95/45/721459545.db2.gz XPINBIKWWMHIHE-QFIPXVFZSA-N 1 0 459.631 3.771 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1N)CC2 ZINC001164786888 721460356 /nfs/dbraw/zinc/46/03/56/721460356.db2.gz QFEYGGWNAREACR-QGZVFWFLSA-N 1 0 458.981 3.596 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(-c3cccc(OC)c3)n1)CC2 ZINC001164783532 721463711 /nfs/dbraw/zinc/46/37/11/721463711.db2.gz DIKPURHKPMXHPN-QHCPKHFHSA-N 1 0 466.626 3.886 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4cc(OCc5ccccc5)ccc4n2)CC3)CC1 ZINC001164799217 721515441 /nfs/dbraw/zinc/51/54/41/721515441.db2.gz ZDIAVLFFDPFBFR-UHFFFAOYSA-N 1 0 468.605 3.778 20 0 JHADRO COC(=O)c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl ZINC001164901449 721525241 /nfs/dbraw/zinc/52/52/41/721525241.db2.gz XJZAWBHUPLZFSU-RDJZCZTQSA-N 1 0 455.864 3.548 20 0 JHADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)c1 ZINC001164905206 721543049 /nfs/dbraw/zinc/54/30/49/721543049.db2.gz GOWIVGGEJBEKFP-QFBILLFUSA-N 1 0 459.884 3.937 20 0 JHADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)c1 ZINC001164905204 721543497 /nfs/dbraw/zinc/54/34/97/721543497.db2.gz GOWIVGGEJBEKFP-APWZRJJASA-N 1 0 459.884 3.937 20 0 JHADRO COc1ccc(Cn2cc3[nH]c(N4CC[N@@H+]5C[C@H](Oc6cccc(F)c6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164911355 721550745 /nfs/dbraw/zinc/55/07/45/721550745.db2.gz YYSQWTSPEOPHFF-ZJSXRUAMSA-N 1 0 488.563 3.727 20 0 JHADRO COc1ccc(Cn2cc3[nH]c(N4CC[N@@H+]5C[C@@H](Oc6cccc(F)c6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164911330 721551029 /nfs/dbraw/zinc/55/10/29/721551029.db2.gz YYSQWTSPEOPHFF-QPPBQGQZSA-N 1 0 488.563 3.727 20 0 JHADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCc2ccccc21 ZINC001164909273 721552915 /nfs/dbraw/zinc/55/29/15/721552915.db2.gz UDKUJJFFYPEFAF-FYYLOGMGSA-N 1 0 458.537 3.766 20 0 JHADRO CCOC(=O)c1cc2c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)[nH]c(C)c(C)c-2n1 ZINC001164804010 721563415 /nfs/dbraw/zinc/56/34/15/721563415.db2.gz KQYNCGPATSBCGS-GPXNEJASSA-N 1 0 463.582 3.620 20 0 JHADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)CC[N@@H+]3C2)c1 ZINC001164903182 721568773 /nfs/dbraw/zinc/56/87/73/721568773.db2.gz BILKSODRZMXTCJ-ZFWWWQNUSA-N 1 0 469.920 3.852 20 0 JHADRO CCOC(=O)c1nc2ccccc2c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904915 721586062 /nfs/dbraw/zinc/58/60/62/721586062.db2.gz HPZGQXPHSWMSSR-DEOSSOPVSA-N 1 0 467.520 3.939 20 0 JHADRO COC(=O)c1ccc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164904114 721587338 /nfs/dbraw/zinc/58/73/38/721587338.db2.gz DFBDQABMHBQZAV-HSZRJFAPSA-N 1 0 453.493 3.549 20 0 JHADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(-c2ccc(Cl)nc2)n1 ZINC001164801105 721588033 /nfs/dbraw/zinc/58/80/33/721588033.db2.gz DRTUGKLXLXPDLX-QTEQDKRBSA-N 1 0 450.974 3.764 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@H]3C2)nc1 ZINC001164804357 721603209 /nfs/dbraw/zinc/60/32/09/721603209.db2.gz YCIDKOLAOVFGPE-SDHSZQHLSA-N 1 0 463.626 3.586 20 0 JHADRO CCOC(=O)c1cc2cccnc2nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905520 721702198 /nfs/dbraw/zinc/70/21/98/721702198.db2.gz HBKMXJZZESCUJN-XMMPIXPASA-N 1 0 467.520 3.939 20 0 JHADRO CCOC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1OCC ZINC001164907090 721702261 /nfs/dbraw/zinc/70/22/61/721702261.db2.gz RKLRHJVBLAWUGQ-QHCPKHFHSA-N 1 0 460.525 3.790 20 0 JHADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907652 721717710 /nfs/dbraw/zinc/71/77/10/721717710.db2.gz SHTXQITYMALAID-QQHIZMLBSA-N 1 0 467.520 3.882 20 0 JHADRO FC1(F)CCN(c2ncnc3c2ncn3-c2ccccc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164910507 721733256 /nfs/dbraw/zinc/73/32/56/721733256.db2.gz FODFIEXWUBBOQL-XMMPIXPASA-N 1 0 461.520 3.948 20 0 JHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC001165010257 721745291 /nfs/dbraw/zinc/74/52/91/721745291.db2.gz KYIKXMWJKIGTLS-UHFFFAOYSA-N 1 0 496.725 3.689 20 0 JHADRO c1cnn(CCCO[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001165019326 721779954 /nfs/dbraw/zinc/77/99/54/721779954.db2.gz KCZYGTITVFJNDO-GTNKKZTPSA-N 1 0 473.621 3.680 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C[C@H]21 ZINC001165026810 721815739 /nfs/dbraw/zinc/81/57/39/721815739.db2.gz RKIWPNOYJHJBNR-QXAKKESOSA-N 1 0 477.440 3.752 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C[C@H]21 ZINC001165026411 721820384 /nfs/dbraw/zinc/82/03/84/721820384.db2.gz PUVIOSUBPBPLNQ-WUMKDDEVSA-N 1 0 493.633 3.804 20 0 JHADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165026699 721824933 /nfs/dbraw/zinc/82/49/33/721824933.db2.gz PNFOHWPLWCKHJZ-AJSBUHFISA-N 1 0 471.671 3.680 20 0 JHADRO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165026719 721824998 /nfs/dbraw/zinc/82/49/98/721824998.db2.gz PUQMSEDHZFTQIP-IEXUWNMDSA-N 1 0 471.671 3.680 20 0 JHADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1C(=O)OCC ZINC001165024023 721831689 /nfs/dbraw/zinc/83/16/89/721831689.db2.gz JIBZAVATTRPNLW-OFAXGOBFSA-N 1 0 466.582 3.567 20 0 JHADRO Cc1nc2c(cc(-c3nc(N4CC[C@H]5[C@H]4CCN5CC[NH+](C)C)ncc3F)cc2F)n1C(C)C ZINC001164925244 721863532 /nfs/dbraw/zinc/86/35/32/721863532.db2.gz NBYNZOYXHXTDKJ-LEWJYISDSA-N 1 0 469.584 3.875 20 0 JHADRO CN1C(=O)CC[C@H]2[C@@H]1CCN2c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164932056 721893061 /nfs/dbraw/zinc/89/30/61/721893061.db2.gz GCYUKNGSNUVNKI-VXKWHMMOSA-N 1 0 467.013 3.956 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)COc4ccc(Cl)nn4)CC3)C2)cc1 ZINC001164940689 721931324 /nfs/dbraw/zinc/93/13/24/721931324.db2.gz XBYAMDIPJWLVAE-UHFFFAOYSA-N 1 0 452.933 3.777 20 0 JHADRO C[NH+](C)CC1CCN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000613538926 721948845 /nfs/dbraw/zinc/94/88/45/721948845.db2.gz KARYOJZGQJVBPG-UHFFFAOYSA-N 1 0 451.640 3.969 20 0 JHADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001165046419 721966388 /nfs/dbraw/zinc/96/63/88/721966388.db2.gz LPAAEIXXIRZXDE-HXUWFJFHSA-N 1 0 453.612 3.822 20 0 JHADRO COCCOc1cc2ncnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2cc1OCCOC ZINC001165049966 721967091 /nfs/dbraw/zinc/96/70/91/721967091.db2.gz WUFWLTBCMZMSEV-HXUWFJFHSA-N 1 0 458.603 3.525 20 0 JHADRO CC[C@H]1C(=O)N(C)c2cnc(N3CCC([NH+](CC)CC)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165052887 722004880 /nfs/dbraw/zinc/00/48/80/722004880.db2.gz GKOVTDQPPGUQGZ-ROUUACIJSA-N 1 0 450.578 3.536 20 0 JHADRO Clc1nc2c(c(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)n1)CN(Cc1ccccc1)C2 ZINC001164958783 722051005 /nfs/dbraw/zinc/05/10/05/722051005.db2.gz GHGSGWKSOATGDZ-KWOQKUFVSA-N 1 0 477.012 3.946 20 0 JHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963199 722054956 /nfs/dbraw/zinc/05/49/56/722054956.db2.gz IHMYAKVVBXBSGH-UHFFFAOYSA-N 1 0 480.943 3.581 20 0 JHADRO COC(=O)C[C@H](c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1)C1CC1 ZINC001164960759 722059327 /nfs/dbraw/zinc/05/93/27/722059327.db2.gz KNCRGAMLRLJDBH-DEOSSOPVSA-N 1 0 464.610 3.652 20 0 JHADRO Cc1cncc(COCc2cnc3n2CCN(c2cccc(OCC[NH+]4CCCC4)n2)[C@H]3C)c1 ZINC001164966949 722063159 /nfs/dbraw/zinc/06/31/59/722063159.db2.gz ZVWOSUQUTUXTSB-NRFANRHFSA-N 1 0 462.598 3.754 20 0 JHADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001164984372 722107515 /nfs/dbraw/zinc/10/75/15/722107515.db2.gz SWKVPPXPLJJGPV-FUHWJXTLSA-N 1 0 465.381 3.687 20 0 JHADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980423 722108157 /nfs/dbraw/zinc/10/81/57/722108157.db2.gz RDWBQRFVTGJEOT-FCHUYYIVSA-N 1 0 490.011 3.650 20 0 JHADRO c1cn(Cc2ccccc2)c2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164974035 722124548 /nfs/dbraw/zinc/12/45/48/722124548.db2.gz IHJCXFISMAPKKL-ZCYQVOJMSA-N 1 0 454.578 3.602 20 0 JHADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980311 722133002 /nfs/dbraw/zinc/13/30/02/722133002.db2.gz MRORRJGGPOWADL-LAUBAEHRSA-N 1 0 475.927 3.830 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164982658 722137231 /nfs/dbraw/zinc/13/72/31/722137231.db2.gz RWLRJZZFGINIAE-PXNSSMCTSA-N 1 0 480.943 3.579 20 0 JHADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981496 722137732 /nfs/dbraw/zinc/13/77/32/722137732.db2.gz OZSNRPSZGHSSSJ-SIKLNZKXSA-N 1 0 481.984 3.582 20 0 JHADRO O=C(NC1CCCC1)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164985483 722143683 /nfs/dbraw/zinc/14/36/83/722143683.db2.gz ZPOZKSBFSBZLDD-XXBNENTESA-N 1 0 470.017 3.530 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977017 722145967 /nfs/dbraw/zinc/14/59/67/722145967.db2.gz HOAWNZITAHUMGR-AZUAARDMSA-N 1 0 486.954 3.859 20 0 JHADRO Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164974046 722151581 /nfs/dbraw/zinc/15/15/81/722151581.db2.gz OFBIINIEXPORLD-RTWAWAEBSA-N 1 0 450.974 3.623 20 0 JHADRO COc1ccc(Oc2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc(C)n2)cc1 ZINC001164972476 722152827 /nfs/dbraw/zinc/15/28/27/722152827.db2.gz IAEPDGCAKQZGPF-URXFXBBRSA-N 1 0 461.566 3.708 20 0 JHADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972243 722153810 /nfs/dbraw/zinc/15/38/10/722153810.db2.gz HNNXDBHQVXCLPJ-RDJZCZTQSA-N 1 0 459.324 3.935 20 0 JHADRO COc1cc2c[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)cc2cc1OC ZINC001164990862 722185561 /nfs/dbraw/zinc/18/55/61/722185561.db2.gz SCLWFJYBAMLYTL-NHCUHLMSSA-N 1 0 454.596 3.887 20 0 JHADRO CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164990336 722187812 /nfs/dbraw/zinc/18/78/12/722187812.db2.gz LRESZVCCTLXTLL-FQEVSTJZSA-N 1 0 483.003 3.758 20 0 JHADRO CCOC(=O)C1CCN(c2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164994981 722204292 /nfs/dbraw/zinc/20/42/92/722204292.db2.gz KDDFZZKZXNRIMS-AREMUKBSSA-N 1 0 467.589 3.640 20 0 JHADRO CCOC(=O)C1CCN(c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164994983 722204407 /nfs/dbraw/zinc/20/44/07/722204407.db2.gz KDDFZZKZXNRIMS-SANMLTNESA-N 1 0 467.589 3.640 20 0 JHADRO CC(=O)Oc1cc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2cc1OC(C)=O ZINC001164995287 722205234 /nfs/dbraw/zinc/20/52/34/722205234.db2.gz MBNXUEXIWXCWHP-AREMUKBSSA-N 1 0 478.524 3.864 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)CCC2 ZINC001165004266 722257395 /nfs/dbraw/zinc/25/73/95/722257395.db2.gz OYZSRLNAMXXTSO-UHFFFAOYSA-N 1 0 475.641 3.819 20 0 JHADRO C[NH+]1CCN(C[C@@H](NC(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)c2ccccc2)CC1 ZINC001311275794 1069314084 /nfs/dbraw/zinc/31/40/84/1069314084.db2.gz ZUQMKZXOKBHGLV-IRLDBZIGSA-N 1 0 452.496 3.891 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001306623327 1069314501 /nfs/dbraw/zinc/31/45/01/1069314501.db2.gz BYSJZZSXFPWACO-XZOQPEGZSA-N 1 0 459.610 3.839 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306623381 1069314994 /nfs/dbraw/zinc/31/49/94/1069314994.db2.gz RSRALUTVROPTLA-CPJSRVTESA-N 1 0 491.080 3.872 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2F)CC[N@@H+]1CCOC ZINC001306623195 1069315036 /nfs/dbraw/zinc/31/50/36/1069315036.db2.gz HMLMNDKNGZSNSZ-OAQYLSRUSA-N 1 0 452.578 3.773 20 0 JHADRO Cn1cc(Br)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1=O ZINC001311281846 1069315184 /nfs/dbraw/zinc/31/51/84/1069315184.db2.gz IEXVIPBPFIHCNY-YLJYHZDGSA-N 1 0 459.388 3.666 20 0 JHADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)Nc3ccnn3[C@H]3CCCOC3)cc2)C[C@H]1C ZINC001311292648 1069318735 /nfs/dbraw/zinc/31/87/35/1069318735.db2.gz MCPWDHJFFHTHHN-SJBKTWHCSA-N 1 0 455.603 3.565 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+](CC)C2CC2)CCO1 ZINC001306625024 1069318770 /nfs/dbraw/zinc/31/87/70/1069318770.db2.gz NDRUZQBEXIWATI-JOCHJYFZSA-N 1 0 490.693 3.882 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC(F)(F)CO2)CC[N@@H+]1CCOC ZINC001306627481 1069323788 /nfs/dbraw/zinc/32/37/88/1069323788.db2.gz UOWYFNFPEXBMKU-YADHBBJMSA-N 1 0 477.600 3.539 20 0 JHADRO C[NH+](C)C1(CNC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CCCCC1 ZINC001311343804 1069331207 /nfs/dbraw/zinc/33/12/07/1069331207.db2.gz IDXKXHCAKGVUSG-UHFFFAOYSA-N 1 0 451.453 3.977 20 0 JHADRO COc1ccc([C@H](CNC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)[NH+]2CCCC2)cc1 ZINC001311344245 1069332152 /nfs/dbraw/zinc/33/21/52/1069332152.db2.gz HAADXFPRODYLIE-DEOSSOPVSA-N 1 0 455.574 3.750 20 0 JHADRO CCC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001306631900 1069332391 /nfs/dbraw/zinc/33/23/91/1069332391.db2.gz VXBBEJKFWJUYRT-ROUUACIJSA-N 1 0 488.683 3.639 20 0 JHADRO CCC[C@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001306631494 1069332561 /nfs/dbraw/zinc/33/25/61/1069332561.db2.gz UJHNBMGGOPRQMJ-DEOSSOPVSA-N 1 0 455.647 3.809 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCn3cc(C)nc32)CC[N@@H+]1CCOC ZINC001306632002 1069332940 /nfs/dbraw/zinc/33/29/40/1069332940.db2.gz VROMGCVUSZLBLP-VXKWHMMOSA-N 1 0 471.694 3.886 20 0 JHADRO COc1ccc([C@@H](CNC(=O)NCc2cc(C)ccc2Br)[NH+](C)C)cc1OC ZINC001311346829 1069333148 /nfs/dbraw/zinc/33/31/48/1069333148.db2.gz BXXGXOIWHZFKMQ-GOSISDBHSA-N 1 0 450.377 3.877 20 0 JHADRO COc1ccc([C@@H](CNC(=O)NCCc2ccc(OC(F)(F)F)cc2)[NH+](C)C)cc1OC ZINC001311348893 1069335041 /nfs/dbraw/zinc/33/50/41/1069335041.db2.gz KCZLOCOREPYBHX-GOSISDBHSA-N 1 0 455.477 3.747 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC001311359208 1069342908 /nfs/dbraw/zinc/34/29/08/1069342908.db2.gz VYMNUDMMZMNBHC-FQEVSTJZSA-N 1 0 454.615 3.710 20 0 JHADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCS(=O)(=O)c4ccccc4C3)cc2)C1 ZINC001311360918 1069344691 /nfs/dbraw/zinc/34/46/91/1069344691.db2.gz QLLGXXWWFGKHHS-PMACEKPBSA-N 1 0 455.624 3.664 20 0 JHADRO NC(=O)C1(c2ccccc2)CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC001311371878 1069348371 /nfs/dbraw/zinc/34/83/71/1069348371.db2.gz DKUGLDWZPIZEIH-QFIPXVFZSA-N 1 0 455.002 3.706 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NC[C@@H]3CSc4ccccc4O3)CC2)c1 ZINC001311379928 1069353988 /nfs/dbraw/zinc/35/39/88/1069353988.db2.gz HNMAYKNJHLYCHT-JOCHJYFZSA-N 1 0 454.640 3.750 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001306646686 1069358365 /nfs/dbraw/zinc/35/83/65/1069358365.db2.gz MTYHLKOBHIBNKY-OALUTQOASA-N 1 0 492.462 3.681 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N1CC(O)(c2ccc(Br)cc2)C1)c1ccsc1 ZINC001311394132 1069359438 /nfs/dbraw/zinc/35/94/38/1069359438.db2.gz HNDGSYPJRUYACH-GOSISDBHSA-N 1 0 452.418 3.807 20 0 JHADRO C[C@H](CNC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001311396581 1069361236 /nfs/dbraw/zinc/36/12/36/1069361236.db2.gz AYIZGAQVZREWJB-QZTJIDSGSA-N 1 0 457.537 3.785 20 0 JHADRO CCCCCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001306654241 1069365592 /nfs/dbraw/zinc/36/55/92/1069365592.db2.gz HMXPESLSWJXCPI-RDGATRHJSA-N 1 0 466.674 3.632 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C[C@H]21 ZINC001311405483 1069364038 /nfs/dbraw/zinc/36/40/38/1069364038.db2.gz WICIJDLZRLNQIS-DNVJHFABSA-N 1 0 456.631 3.770 20 0 JHADRO CN1CC[N@H+](CCCNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)[C@H](c2ccccc2)C1 ZINC001311422775 1069370785 /nfs/dbraw/zinc/37/07/85/1069370785.db2.gz JPVSXOMTENVNCA-XPWALMASSA-N 1 0 456.656 3.724 20 0 JHADRO CC(C)[NH+](CCNC(=O)N1CCC([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1)C(C)C ZINC001311420792 1069368354 /nfs/dbraw/zinc/36/83/54/1069368354.db2.gz NBBMJNREDOBOKV-LEWJYISDSA-N 1 0 454.656 3.599 20 0 JHADRO CC(C)[NH+](CCNC(=O)N1CCC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1)C(C)C ZINC001311420796 1069368388 /nfs/dbraw/zinc/36/83/88/1069368388.db2.gz NBBMJNREDOBOKV-RTWAWAEBSA-N 1 0 454.656 3.599 20 0 JHADRO CC1(C)C[C@@H](NC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c2ccc(F)cc2O1 ZINC001311421926 1069369102 /nfs/dbraw/zinc/36/91/02/1069369102.db2.gz GFXRMXBQOIVFTE-HSZRJFAPSA-N 1 0 454.590 3.935 20 0 JHADRO C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001311422638 1069369926 /nfs/dbraw/zinc/36/99/26/1069369926.db2.gz CJGFRTMHGBZFBD-AOMKIAJQSA-N 1 0 458.990 3.661 20 0 JHADRO CC[C@@H]1CO[C@@H](CC)CN1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001311423160 1069371443 /nfs/dbraw/zinc/37/14/43/1069371443.db2.gz MMFXWZJRHGVOFM-CTNGQTDRSA-N 1 0 456.553 3.817 20 0 JHADRO CCN1CC[NH+](CCCCNC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC001311431249 1069377053 /nfs/dbraw/zinc/37/70/53/1069377053.db2.gz BWENVDWBCITKKM-HXUWFJFHSA-N 1 0 455.416 3.756 20 0 JHADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCCCSc2ccccc2Br)C1 ZINC001311442902 1069382118 /nfs/dbraw/zinc/38/21/18/1069382118.db2.gz WBPXPMDFPPQGFV-KRWDZBQOSA-N 1 0 458.466 3.977 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)NCCSCc3ccccc3F)CC2)cc1 ZINC001311443241 1069382465 /nfs/dbraw/zinc/38/24/65/1069382465.db2.gz VWVDAFCRUKWQPF-UHFFFAOYSA-N 1 0 458.603 3.981 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001306663338 1069385579 /nfs/dbraw/zinc/38/55/79/1069385579.db2.gz BZWZTKXHKTVCRV-UHFFFAOYSA-N 1 0 490.737 3.577 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306664896 1069390377 /nfs/dbraw/zinc/39/03/77/1069390377.db2.gz WKGWJHFLFAZABB-NRFANRHFSA-N 1 0 496.704 3.721 20 0 JHADRO O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001311480343 1069397687 /nfs/dbraw/zinc/39/76/87/1069397687.db2.gz LCUBTBHHPIGAAG-RUZDIDTESA-N 1 0 457.578 3.595 20 0 JHADRO CCCCN(C)c1nnc(COc2ccc(Br)cc2)n1CC[NH+]1CCSCC1 ZINC001306677429 1069400980 /nfs/dbraw/zinc/40/09/80/1069400980.db2.gz XMFPYDGMLWZNAO-UHFFFAOYSA-N 1 0 468.465 3.905 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NC2CCCCC2)CC1 ZINC001306677864 1069401865 /nfs/dbraw/zinc/40/18/65/1069401865.db2.gz CMYWSDVHQBVFLR-QHCPKHFHSA-N 1 0 474.694 3.917 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)Nc2c(C)cccc2C)CC1 ZINC001306677927 1069402602 /nfs/dbraw/zinc/40/26/02/1069402602.db2.gz FJZYBCJUMSWWBS-UHFFFAOYSA-N 1 0 492.672 3.882 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N[C@H](c3ccccc3)C3(CO)CCC3)cc2)C[C@H](C)O1 ZINC001311495823 1069405719 /nfs/dbraw/zinc/40/57/19/1069405719.db2.gz INKBSVBXCNMHQR-TYBLODHISA-N 1 0 451.611 3.999 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 ZINC001306679786 1069406034 /nfs/dbraw/zinc/40/60/34/1069406034.db2.gz KZKBUWOMZWXUJF-QHCPKHFHSA-N 1 0 468.646 3.737 20 0 JHADRO Cc1cc([C@@H]2CCN(C(=O)NCc3ccc(CN4CC[NH+](C)CC4)cc3)C2)c(O)cc1Cl ZINC001311496682 1069406387 /nfs/dbraw/zinc/40/63/87/1069406387.db2.gz OMXCHYVYISIYCW-OAQYLSRUSA-N 1 0 457.018 3.801 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 ZINC001306680118 1069406436 /nfs/dbraw/zinc/40/64/36/1069406436.db2.gz PMFVDMWFNUTJOR-SANMLTNESA-N 1 0 458.695 3.826 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001306680169 1069406492 /nfs/dbraw/zinc/40/64/92/1069406492.db2.gz UYMFAFFCTPWQCS-UHFFFAOYSA-N 1 0 491.677 3.857 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001306680223 1069407097 /nfs/dbraw/zinc/40/70/97/1069407097.db2.gz BIWZFKPBFPJDEE-RTBURBONSA-N 1 0 477.053 3.860 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(F)c2F)CC1 ZINC001306680346 1069407111 /nfs/dbraw/zinc/40/71/11/1069407111.db2.gz WSGBDSUEKLZQJL-NRFANRHFSA-N 1 0 474.600 3.698 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001306681035 1069408337 /nfs/dbraw/zinc/40/83/37/1069408337.db2.gz HCGRIOFXOWILSK-UHFFFAOYSA-N 1 0 485.551 3.588 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001306680599 1069407685 /nfs/dbraw/zinc/40/76/85/1069407685.db2.gz QXJVRIVLNBYMCC-LEWJYISDSA-N 1 0 486.627 3.962 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001306681858 1069411985 /nfs/dbraw/zinc/41/19/85/1069411985.db2.gz VTPCZUPTBOFAMW-UUOWRZLLSA-N 1 0 479.572 3.663 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001306680956 1069409213 /nfs/dbraw/zinc/40/92/13/1069409213.db2.gz WQKAJGFYFCOWJO-QFQXNSOFSA-N 1 0 473.637 3.777 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC[C@@H]1C ZINC001306682170 1069412616 /nfs/dbraw/zinc/41/26/16/1069412616.db2.gz BJKKXZDAVWJPFC-HNNXBMFYSA-N 1 0 454.388 3.804 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001306683549 1069417371 /nfs/dbraw/zinc/41/73/71/1069417371.db2.gz WKOLTIOFAZNAND-SIKLNZKXSA-N 1 0 457.619 3.700 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001306682781 1069414744 /nfs/dbraw/zinc/41/47/44/1069414744.db2.gz KXFTUNKMMCZXTO-RTWAWAEBSA-N 1 0 457.619 3.700 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001306682868 1069415175 /nfs/dbraw/zinc/41/51/75/1069415175.db2.gz OXCKVGSSCWTKJJ-UHFFFAOYSA-N 1 0 481.689 3.967 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)C1 ZINC001306683811 1069418008 /nfs/dbraw/zinc/41/80/08/1069418008.db2.gz AZQMZXZREMDMHL-IBGZPJMESA-N 1 0 451.619 3.814 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001306683855 1069418581 /nfs/dbraw/zinc/41/85/81/1069418581.db2.gz CCMICOPMDSIVBM-HXUWFJFHSA-N 1 0 465.646 3.899 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001306683854 1069418606 /nfs/dbraw/zinc/41/86/06/1069418606.db2.gz CCMICOPMDSIVBM-FQEVSTJZSA-N 1 0 465.646 3.899 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306684074 1069418660 /nfs/dbraw/zinc/41/86/60/1069418660.db2.gz HWXBWZNQGQOSKY-RBBKRZOGSA-N 1 0 483.661 3.812 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306684943 1069419998 /nfs/dbraw/zinc/41/99/98/1069419998.db2.gz UOLHCOQQXJQAJO-UHFFFAOYSA-N 1 0 465.646 3.853 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001306685863 1069421273 /nfs/dbraw/zinc/42/12/73/1069421273.db2.gz MGZADSFWDXTDHU-QFIPXVFZSA-N 1 0 492.709 3.987 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 ZINC001306686018 1069422100 /nfs/dbraw/zinc/42/21/00/1069422100.db2.gz PFZVGCBSELCOAR-IBGZPJMESA-N 1 0 462.038 3.655 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001306686062 1069422111 /nfs/dbraw/zinc/42/21/11/1069422111.db2.gz QNCYLVDQKUWNKX-QHCPKHFHSA-N 1 0 474.694 3.523 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001306686185 1069422404 /nfs/dbraw/zinc/42/24/04/1069422404.db2.gz SEYBJYNJONSVTF-LAUBAEHRSA-N 1 0 466.001 3.884 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001306686585 1069422484 /nfs/dbraw/zinc/42/24/84/1069422484.db2.gz DLVQSKPJJDLNFC-FQEVSTJZSA-N 1 0 455.582 3.815 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001306686468 1069423266 /nfs/dbraw/zinc/42/32/66/1069423266.db2.gz VQUBQJIBLPTSNJ-SFTDATJTSA-N 1 0 458.626 3.758 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001306687561 1069424510 /nfs/dbraw/zinc/42/45/10/1069424510.db2.gz LSWIJPCZERJPNZ-UHFFFAOYSA-N 1 0 450.587 3.561 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306687793 1069424538 /nfs/dbraw/zinc/42/45/38/1069424538.db2.gz KJKGJAUPGGABSE-FXAWDEMLSA-N 1 0 491.706 3.715 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001306688667 1069425814 /nfs/dbraw/zinc/42/58/14/1069425814.db2.gz QZUQUXLHKYWITI-UHFFFAOYSA-N 1 0 497.688 3.544 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001306689423 1069426551 /nfs/dbraw/zinc/42/65/51/1069426551.db2.gz WRACPVWCQRDHHO-OAQYLSRUSA-N 1 0 465.621 3.850 20 0 JHADRO CCCC[N@H+](C)CCn1c(N2CCOC3(CCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306689489 1069426622 /nfs/dbraw/zinc/42/66/22/1069426622.db2.gz XCPLCPHXQCZBPA-VWLOTQADSA-N 1 0 463.667 3.590 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001306689490 1069427284 /nfs/dbraw/zinc/42/72/84/1069427284.db2.gz XDAXAZJZKCNDPI-UHFFFAOYSA-N 1 0 485.677 3.528 20 0 JHADRO CCCCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001306691835 1069429134 /nfs/dbraw/zinc/42/91/34/1069429134.db2.gz MSEJWLBGKJDXJQ-QHCPKHFHSA-N 1 0 451.619 3.596 20 0 JHADRO COC(=O)c1cc(CNC(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)ccc1OC ZINC001311541369 1069431331 /nfs/dbraw/zinc/43/13/31/1069431331.db2.gz MWTLTTZVSBNOLC-GOSISDBHSA-N 1 0 453.461 3.603 20 0 JHADRO CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306700201 1069435671 /nfs/dbraw/zinc/43/56/71/1069435671.db2.gz FSDIDBILANKXQG-SFTDATJTSA-N 1 0 458.626 3.962 20 0 JHADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N(CCO)Cc1cc(Br)cs1 ZINC001311558882 1069438063 /nfs/dbraw/zinc/43/80/63/1069438063.db2.gz ABEJSBJLAAMPCL-UHFFFAOYSA-N 1 0 452.418 3.811 20 0 JHADRO CCN(C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC001311568346 1069442051 /nfs/dbraw/zinc/44/20/51/1069442051.db2.gz CIFVCWRUAFRNKV-XZOQPEGZSA-N 1 0 450.583 3.669 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc(F)c1 ZINC001311568507 1069442232 /nfs/dbraw/zinc/44/22/32/1069442232.db2.gz GPMJDEHYMQUGAE-FUHWJXTLSA-N 1 0 458.525 3.620 20 0 JHADRO CC1CC[NH+]([C@@H](CNC(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)c2cccs2)CC1 ZINC001311568118 1069441460 /nfs/dbraw/zinc/44/14/60/1069441460.db2.gz BWTQWRIXXJRCTQ-NQIIRXRSSA-N 1 0 451.583 3.950 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1 ZINC001311570405 1069442684 /nfs/dbraw/zinc/44/26/84/1069442684.db2.gz JDTXQBPPZRJIAI-DHIUTWEWSA-N 1 0 458.553 3.838 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)Cc1ccccc1 ZINC001311571473 1069443388 /nfs/dbraw/zinc/44/33/88/1069443388.db2.gz LNCCYALURHMPOQ-CTNGQTDRSA-N 1 0 451.489 3.841 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1cccc(F)c1 ZINC001311572376 1069444001 /nfs/dbraw/zinc/44/40/01/1069444001.db2.gz RVVSQGYYUXNPCG-OFNKIYASSA-N 1 0 456.562 3.776 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1)c1cccc(F)c1 ZINC001311572442 1069444026 /nfs/dbraw/zinc/44/40/26/1069444026.db2.gz SLXRPEIHPHAZDJ-NHCUHLMSSA-N 1 0 452.530 3.779 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1cccc(F)c1 ZINC001311572374 1069444043 /nfs/dbraw/zinc/44/40/43/1069444043.db2.gz RVVSQGYYUXNPCG-NZQKXSOJSA-N 1 0 456.562 3.776 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1cccc(F)c1 ZINC001311572378 1069444085 /nfs/dbraw/zinc/44/40/85/1069444085.db2.gz RVVSQGYYUXNPCG-REWPJTCUSA-N 1 0 456.562 3.776 20 0 JHADRO COc1cccc([C@H](CNC(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)[NH+]2CCCC2)c1 ZINC001311582954 1069450090 /nfs/dbraw/zinc/45/00/90/1069450090.db2.gz ZJOQQRQHVNUEFZ-ZEQRLZLVSA-N 1 0 453.583 3.808 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC001311583926 1069450186 /nfs/dbraw/zinc/45/01/86/1069450186.db2.gz LYWFBILAJRPNOJ-VQTJNVASSA-N 1 0 466.047 3.600 20 0 JHADRO CC(C)(C)OC(=O)Nc1nc(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)cs1 ZINC001311584910 1069451106 /nfs/dbraw/zinc/45/11/06/1069451106.db2.gz UHKBAADPJBZFLH-UHFFFAOYSA-N 1 0 455.650 3.651 20 0 JHADRO COc1cccc([C@H](CNC(=O)N2CCCN(c3ccccc3OC)CC2)[NH+]2CCCC2)c1 ZINC001311579835 1069447638 /nfs/dbraw/zinc/44/76/38/1069447638.db2.gz HKMXLXIJHSUQBS-DEOSSOPVSA-N 1 0 452.599 3.763 20 0 JHADRO O=C(N[C@@H](CN1CCOCC1)c1ccccc1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001311592470 1069454848 /nfs/dbraw/zinc/45/48/48/1069454848.db2.gz FFNWASQBRJGBPG-UIOOFZCWSA-N 1 0 450.627 3.804 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)CC1 ZINC001306722224 1069459607 /nfs/dbraw/zinc/45/96/07/1069459607.db2.gz IYJDZEZXTAJNQL-IRLDBZIGSA-N 1 0 486.636 3.880 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001306722749 1069461612 /nfs/dbraw/zinc/46/16/12/1069461612.db2.gz NQOOIQXUTLAMTE-QFIPXVFZSA-N 1 0 489.064 3.548 20 0 JHADRO COc1cccc(OC)c1Oc1ccc(CNC(=O)N2CCC3(CC2)CC[NH+](C)CC3)cn1 ZINC001311607516 1069460313 /nfs/dbraw/zinc/46/03/13/1069460313.db2.gz SQPPHSQWFCEENH-UHFFFAOYSA-N 1 0 454.571 3.909 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C)C1 ZINC001306723275 1069462280 /nfs/dbraw/zinc/46/22/80/1069462280.db2.gz QORPSJWAUQEADP-MOPGFXCFSA-N 1 0 457.648 3.522 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001306723345 1069463459 /nfs/dbraw/zinc/46/34/59/1069463459.db2.gz RSZJAGRXEFACGB-QFQXNSOFSA-N 1 0 483.661 3.975 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001306723510 1069463627 /nfs/dbraw/zinc/46/36/27/1069463627.db2.gz SRXINPPTCOBOMW-XUVXKRRUSA-N 1 0 465.664 3.759 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001306723589 1069464156 /nfs/dbraw/zinc/46/41/56/1069464156.db2.gz SGPZUNAXGMSYAE-FQEVSTJZSA-N 1 0 451.681 3.604 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)CC1 ZINC001306724543 1069465337 /nfs/dbraw/zinc/46/53/37/1069465337.db2.gz YSHHOOGOFRSLNJ-GOSISDBHSA-N 1 0 468.042 3.961 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001306725437 1069466512 /nfs/dbraw/zinc/46/65/12/1069466512.db2.gz DHQLIVCRRFQRKG-QFIPXVFZSA-N 1 0 494.688 3.522 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001306725223 1069466474 /nfs/dbraw/zinc/46/64/74/1069466474.db2.gz BFFULBMTVLFIAZ-QHCPKHFHSA-N 1 0 497.688 3.976 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001306722826 1069461829 /nfs/dbraw/zinc/46/18/29/1069461829.db2.gz LMRBKDZECLTTIP-RTBURBONSA-N 1 0 459.038 3.955 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001306727398 1069472145 /nfs/dbraw/zinc/47/21/45/1069472145.db2.gz RCVMIFQWLGSLJV-GOTSBHOMSA-N 1 0 474.694 3.869 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(F)(F)CC1 ZINC001306727550 1069472224 /nfs/dbraw/zinc/47/22/24/1069472224.db2.gz DSAOXCSJFUXTGM-ZCNNSNEGSA-N 1 0 455.594 3.892 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001306729270 1069477662 /nfs/dbraw/zinc/47/76/62/1069477662.db2.gz LRZNSRHSBZUTDU-YKSBVNFPSA-N 1 0 454.663 3.996 20 0 JHADRO CCCOc1ccccc1Oc1ncccc1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001311629196 1069477743 /nfs/dbraw/zinc/47/77/43/1069477743.db2.gz UYXKXWFZSIZYKP-UHFFFAOYSA-N 1 0 454.571 3.669 20 0 JHADRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC001311634407 1069480912 /nfs/dbraw/zinc/48/09/12/1069480912.db2.gz SVGXDQLBMMFQQP-UHFFFAOYSA-N 1 0 456.562 3.767 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC(C)C)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306730540 1069482537 /nfs/dbraw/zinc/48/25/37/1069482537.db2.gz JZMZKKFKLRTMRI-NHCUHLMSSA-N 1 0 478.751 3.825 20 0 JHADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NCc3cccc(NC(=O)C4CCCC4)c3)CC2)CC1 ZINC001311638543 1069483936 /nfs/dbraw/zinc/48/39/36/1069483936.db2.gz WGFLXACZDHWACH-UHFFFAOYSA-N 1 0 455.647 3.515 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001306731057 1069484442 /nfs/dbraw/zinc/48/44/42/1069484442.db2.gz OKGYZMKNMYSJHZ-PKTZIBPZSA-N 1 0 482.673 3.795 20 0 JHADRO CC(C)N1C(=O)C[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001311639106 1069484836 /nfs/dbraw/zinc/48/48/36/1069484836.db2.gz VXEULIUBWXQGOE-QGCDCVKKSA-N 1 0 453.002 3.951 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCCC2)C1 ZINC001306731722 1069485466 /nfs/dbraw/zinc/48/54/66/1069485466.db2.gz FNSMYSRIHIKSQX-MYDTUXCISA-N 1 0 488.721 3.814 20 0 JHADRO C[C@@H]1CCC[C@](CNC(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)([NH+](C)C)C1 ZINC001311657407 1069491274 /nfs/dbraw/zinc/49/12/74/1069491274.db2.gz SBATYAFJWFKBBY-CEQIKUNHSA-N 1 0 458.416 3.549 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCOC(C)(C)[C@H]2C)nnc1[C@]1(OCC)CCOC1 ZINC001306733505 1069493308 /nfs/dbraw/zinc/49/33/08/1069493308.db2.gz ZBHISBWHMDRODX-OTPAQWSUSA-N 1 0 463.667 3.589 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306734116 1069495497 /nfs/dbraw/zinc/49/54/97/1069495497.db2.gz ANDOVELCWMDTMR-FPOVZHCZSA-N 1 0 488.080 3.858 20 0 JHADRO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)[C@H]1c1ccc(F)cc1 ZINC001311664895 1069493948 /nfs/dbraw/zinc/49/39/48/1069493948.db2.gz NLBXPBJHWQGJJB-DHIUTWEWSA-N 1 0 450.514 3.593 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001306733763 1069495050 /nfs/dbraw/zinc/49/50/50/1069495050.db2.gz ZRHUXLJTOUBUKO-PZJWPPBQSA-N 1 0 488.702 3.785 20 0 JHADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC001311671829 1069497885 /nfs/dbraw/zinc/49/78/85/1069497885.db2.gz GXCNFLSIRKJQDW-NJYVYQBISA-N 1 0 450.071 3.518 20 0 JHADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC001311671897 1069497986 /nfs/dbraw/zinc/49/79/86/1069497986.db2.gz HSTNILUSYFXHEQ-ZACQAIPSSA-N 1 0 455.430 3.827 20 0 JHADRO 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CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2nc(C(F)(F)F)cs2)C1 ZINC001306782344 1069580544 /nfs/dbraw/zinc/58/05/44/1069580544.db2.gz CYQGIASOSPXOSG-HNNXBMFYSA-N 1 0 467.565 3.975 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)Nc2ccc(F)cc2)C1 ZINC001306784446 1069584109 /nfs/dbraw/zinc/58/41/09/1069584109.db2.gz KXBNZCKUWQFPTQ-SFHVURJKSA-N 1 0 454.550 3.792 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001306784272 1069584748 /nfs/dbraw/zinc/58/47/48/1069584748.db2.gz QJZCMCIRRWRCDU-JTHBVZDNSA-N 1 0 483.661 3.830 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(C)COCCO2)C1 ZINC001306784467 1069584818 /nfs/dbraw/zinc/58/48/18/1069584818.db2.gz LKMOEWWJCZMHEY-JPYJTQIMSA-N 1 0 492.462 3.681 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)C(=O)NCC)C1 ZINC001306784917 1069585481 /nfs/dbraw/zinc/58/54/81/1069585481.db2.gz MXEKDDVDUICPGY-GOSISDBHSA-N 1 0 461.054 3.929 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001306785965 1069588628 /nfs/dbraw/zinc/58/86/28/1069588628.db2.gz SFXPTONPXGVKJW-RBBKRZOGSA-N 1 0 494.606 3.766 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001306785008 1069586072 /nfs/dbraw/zinc/58/60/72/1069586072.db2.gz ONNYYYSUYCCUKA-ZWKOTPCHSA-N 1 0 498.068 3.731 20 0 JHADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)c1 ZINC001311863785 1069586792 /nfs/dbraw/zinc/58/67/92/1069586792.db2.gz YBMRYQLSNLJCPB-VWLOTQADSA-N 1 0 458.553 3.563 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(F)(F)F)cc2)C1 ZINC001306786681 1069590055 /nfs/dbraw/zinc/59/00/55/1069590055.db2.gz YMMPKZONHSZUGM-SFHVURJKSA-N 1 0 461.536 3.914 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@](C)(O)C2CC2)C1 ZINC001306786733 1069590514 /nfs/dbraw/zinc/59/05/14/1069590514.db2.gz WXWBGEJJIYACNS-XDHUDOTRSA-N 1 0 462.038 3.936 20 0 JHADRO 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CCC[N@H+](CC)CCn1c(Cc2c(F)cccc2F)nnc1N1CCSC2(CCOCC2)C1 ZINC001306803447 1069612127 /nfs/dbraw/zinc/61/21/27/1069612127.db2.gz ZZSZTFVZDRENOX-UHFFFAOYSA-N 1 0 479.641 3.981 20 0 JHADRO CCC[N@H+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@@H]1CC ZINC001306803784 1069612224 /nfs/dbraw/zinc/61/22/24/1069612224.db2.gz GNAMHWBQVJCHDR-UNMCSNQZSA-N 1 0 454.667 3.809 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001306803354 1069612239 /nfs/dbraw/zinc/61/22/39/1069612239.db2.gz YRVYKDFCMSOOEF-HXUWFJFHSA-N 1 0 476.597 3.913 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001306804129 1069612942 /nfs/dbraw/zinc/61/29/42/1069612942.db2.gz HLZWUCVAFGKYQJ-BGYRXZFFSA-N 1 0 481.645 3.581 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001306804324 1069613663 /nfs/dbraw/zinc/61/36/63/1069613663.db2.gz MQTYILVLSQICTC-TZIWHRDSSA-N 1 0 492.462 3.854 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001306804960 1069615048 /nfs/dbraw/zinc/61/50/48/1069615048.db2.gz GGFQLCFIIHRPCZ-XMMPIXPASA-N 1 0 472.037 3.816 20 0 JHADRO CCC[N@H+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@H](C)C1 ZINC001306805366 1069615701 /nfs/dbraw/zinc/61/57/01/1069615701.db2.gz ZEOYNUGAWYQKIT-NRFANRHFSA-N 1 0 454.667 3.810 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1c1nncn1C ZINC001306805579 1069616512 /nfs/dbraw/zinc/61/65/12/1069616512.db2.gz LFABJHAOTXCSOF-LJQANCHMSA-N 1 0 487.450 3.910 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)C1 ZINC001306805752 1069617369 /nfs/dbraw/zinc/61/73/69/1069617369.db2.gz XQULTMPLVVFOLK-IBGZPJMESA-N 1 0 451.619 3.814 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001306807044 1069620870 /nfs/dbraw/zinc/62/08/70/1069620870.db2.gz MZQYCMWGPHMNOS-UHFFFAOYSA-N 1 0 466.634 3.818 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001306807390 1069621625 /nfs/dbraw/zinc/62/16/25/1069621625.db2.gz UTAYDOLSKVXODO-JOCHJYFZSA-N 1 0 450.635 3.802 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)n2C[C@H](C)[NH+](CC)CC)CCOC1 ZINC001314154325 1069622969 /nfs/dbraw/zinc/62/29/69/1069622969.db2.gz ZSKVTIYIGCPFHR-XOKJFZFGSA-N 1 0 489.636 3.766 20 0 JHADRO COc1cccc(CNC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1OC1CCCC1 ZINC001311943841 1069624420 /nfs/dbraw/zinc/62/44/20/1069624420.db2.gz PIDUUXHYGUHSCP-JOCHJYFZSA-N 1 0 453.583 3.583 20 0 JHADRO CCOc1c(OC)cc(Cn2c([C@H]3CCCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC001314157029 1069630299 /nfs/dbraw/zinc/63/02/99/1069630299.db2.gz QLZWOBJKDQADSR-FQEVSTJZSA-N 1 0 487.645 3.557 20 0 JHADRO CCOc1c(OC)cc(Cn2c(-c3ccc[nH]3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1OC ZINC001314158341 1069635271 /nfs/dbraw/zinc/63/52/71/1069635271.db2.gz VWZFVHHYFHRRCF-ROUUACIJSA-N 1 0 468.602 3.656 20 0 JHADRO CCOc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)CC2)n1 ZINC001314158636 1069636521 /nfs/dbraw/zinc/63/65/21/1069636521.db2.gz CZJGYUXYLYWEKB-HSZRJFAPSA-N 1 0 492.672 3.837 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(CC)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC001311962236 1069638586 /nfs/dbraw/zinc/63/85/86/1069638586.db2.gz CZSRQAALKIZRPW-FPOVZHCZSA-N 1 0 454.656 3.554 20 0 JHADRO CCCN(CC1CC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001306816757 1069638866 /nfs/dbraw/zinc/63/88/66/1069638866.db2.gz LPJZHAQEQGSYCV-MDNUFGMLSA-N 1 0 460.711 3.849 20 0 JHADRO C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001311963229 1069639945 /nfs/dbraw/zinc/63/99/45/1069639945.db2.gz HOAQYFHUWHJPRR-RTBURBONSA-N 1 0 454.681 3.540 20 0 JHADRO Cc1ccc([C@H](NC(=O)N(C)CC[NH+]2CCCCC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001311968794 1069642582 /nfs/dbraw/zinc/64/25/82/1069642582.db2.gz ODNBEDCAJWBKMG-XMMPIXPASA-N 1 0 457.640 3.924 20 0 JHADRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC001306831735 1069649079 /nfs/dbraw/zinc/64/90/79/1069649079.db2.gz WHJCFINLIMVOCR-UHFFFAOYSA-N 1 0 454.036 3.656 20 0 JHADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccco1 ZINC001306839623 1069653048 /nfs/dbraw/zinc/65/30/48/1069653048.db2.gz KZYLKTBOQOYKAV-KXBFYZLASA-N 1 0 452.532 3.516 20 0 JHADRO O=C(c1cc(C(F)(F)F)cc(Cl)n1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001306840399 1069653616 /nfs/dbraw/zinc/65/36/16/1069653616.db2.gz RUPISQQKBHCFMX-GOSISDBHSA-N 1 0 452.908 3.786 20 0 JHADRO C[C@@](CO)(Cc1ccccc1F)NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001311992896 1069655437 /nfs/dbraw/zinc/65/54/37/1069655437.db2.gz CXBQQIXAMRFMAJ-KNQAVFIVSA-N 1 0 453.480 3.712 20 0 JHADRO CCC(CC)(CNC(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1)[NH2+][C@H](C)c1ccccc1 ZINC001311994988 1069656826 /nfs/dbraw/zinc/65/68/26/1069656826.db2.gz SXCZNFNDMKZPHH-QZTJIDSGSA-N 1 0 456.553 3.996 20 0 JHADRO COc1ccccc1N1CC[C@@H](NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1=O ZINC001311996816 1069658123 /nfs/dbraw/zinc/65/81/23/1069658123.db2.gz VDXFIIZAJLGCNI-PZJWPPBQSA-N 1 0 450.583 3.763 20 0 JHADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001311998604 1069659409 /nfs/dbraw/zinc/65/94/09/1069659409.db2.gz WOWXWXCYSSZGLP-VVZHRXSXSA-N 1 0 450.627 3.801 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)CC(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001314164725 1069659384 /nfs/dbraw/zinc/65/93/84/1069659384.db2.gz UALFHNXJYSZGQP-UHFFFAOYSA-N 1 0 472.678 3.861 20 0 JHADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)CCN1C(=S)N=NC1c1cccc(C)c1 ZINC001306858011 1069662961 /nfs/dbraw/zinc/66/29/61/1069662961.db2.gz PLVXYFXJBMBHAK-UHFFFAOYSA-N 1 0 455.584 3.520 20 0 JHADRO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1nc2ccccc2s1 ZINC001312009746 1069666577 /nfs/dbraw/zinc/66/65/77/1069666577.db2.gz MKLMTBSWXAARKN-MRXNPFEDSA-N 1 0 451.596 3.554 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001314167654 1069670234 /nfs/dbraw/zinc/67/02/34/1069670234.db2.gz JRJTZHRFMKULKQ-NHCUHLMSSA-N 1 0 484.689 3.861 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001312013512 1069670275 /nfs/dbraw/zinc/67/02/75/1069670275.db2.gz UTWJYCSRJFVRFP-RBZQAINGSA-N 1 0 451.567 3.517 20 0 JHADRO COc1ccccc1-c1ccnc(C2CCN(C(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)CC2)n1 ZINC001306883460 1069672568 /nfs/dbraw/zinc/67/25/68/1069672568.db2.gz VJZBCAXPTCKQKJ-DEOSSOPVSA-N 1 0 452.599 3.651 20 0 JHADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001312017893 1069674003 /nfs/dbraw/zinc/67/40/03/1069674003.db2.gz OFKQSDFIDKHNJA-GOSISDBHSA-N 1 0 458.404 3.639 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@@H]3C)n2CC2=CCCOC2)cc1OC ZINC001314169637 1069677370 /nfs/dbraw/zinc/67/73/70/1069677370.db2.gz WJIJKRFKTLSFLX-MOPGFXCFSA-N 1 0 455.603 3.618 20 0 JHADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001306890084 1069675241 /nfs/dbraw/zinc/67/52/41/1069675241.db2.gz NAUXNTOHKIIDDV-SANMLTNESA-N 1 0 451.611 3.707 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(C)CC3)n2C[C@@H](C)N2CC[NH+](CC)CC2)cc1OC ZINC001314170661 1069681655 /nfs/dbraw/zinc/68/16/55/1069681655.db2.gz RGILQXUXZRETQJ-OAQYLSRUSA-N 1 0 470.662 3.615 20 0 JHADRO C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1=O ZINC001312027049 1069681776 /nfs/dbraw/zinc/68/17/76/1069681776.db2.gz XHEWDANAAWTXBK-YGOYIFOWSA-N 1 0 452.574 3.842 20 0 JHADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCCOc1cccc(C(C)(C)C)c1 ZINC001312025642 1069678906 /nfs/dbraw/zinc/67/89/06/1069678906.db2.gz STZOACGJLOMMPE-UHFFFAOYSA-N 1 0 452.643 3.822 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H](C4CCOCC4)C3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001314170156 1069679308 /nfs/dbraw/zinc/67/93/08/1069679308.db2.gz KPWKFVIGFODNET-NQIIRXRSSA-N 1 0 457.619 3.555 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@](C)(CC)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC001314171573 1069685862 /nfs/dbraw/zinc/68/58/62/1069685862.db2.gz BGKWEVLFCSGWCL-IBVKSMDESA-N 1 0 471.646 3.947 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001312034456 1069686342 /nfs/dbraw/zinc/68/63/42/1069686342.db2.gz FMNYPTXTYBVVNV-HTAPYJJXSA-N 1 0 458.603 3.821 20 0 JHADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC001312035094 1069686366 /nfs/dbraw/zinc/68/63/66/1069686366.db2.gz HIWKBYAJJYGRKM-MGPUTAFESA-N 1 0 454.384 3.936 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC001314173295 1069692920 /nfs/dbraw/zinc/69/29/20/1069692920.db2.gz DBMVVJPHBIKMGY-IBGZPJMESA-N 1 0 457.619 3.700 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCNC(=O)C(C)(C)C)cc1OC ZINC001314173968 1069695458 /nfs/dbraw/zinc/69/54/58/1069695458.db2.gz AUEVAAQMHBMWPQ-UHFFFAOYSA-N 1 0 498.672 3.579 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCO[C@@](C)(CC)C3)n2CCC[NH+]2CCCC2)cc1OC ZINC001314175130 1069700349 /nfs/dbraw/zinc/70/03/49/1069700349.db2.gz RHPJJCUFJVLGGG-VWLOTQADSA-N 1 0 457.619 3.844 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCO[C@@H](c4nccs4)C3)n2CC[N@H+](C)C(C)C)cc1OC ZINC001314175426 1069702091 /nfs/dbraw/zinc/70/20/91/1069702091.db2.gz UJDMNWORJLQNSD-OAQYLSRUSA-N 1 0 486.642 3.727 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC001314175790 1069704044 /nfs/dbraw/zinc/70/40/44/1069704044.db2.gz FAEJKAFKBUNZNZ-FQEVSTJZSA-N 1 0 498.672 3.578 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCCOC2)cc1OC ZINC001314176491 1069706853 /nfs/dbraw/zinc/70/68/53/1069706853.db2.gz LTXZWJLMRXTFPC-HXUWFJFHSA-N 1 0 457.619 3.557 20 0 JHADRO CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001307010134 1069709157 /nfs/dbraw/zinc/70/91/57/1069709157.db2.gz LFAVKBUABGHBFO-UHFFFAOYSA-N 1 0 452.628 3.983 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@@H]3CSC)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001314177675 1069711807 /nfs/dbraw/zinc/71/18/07/1069711807.db2.gz VNKZJSPGQYUEGA-HXUWFJFHSA-N 1 0 457.644 3.946 20 0 JHADRO CCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001307013329 1069718294 /nfs/dbraw/zinc/71/82/94/1069718294.db2.gz CINNNNQZMCCXAU-FQEVSTJZSA-N 1 0 467.618 3.673 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2C[C@@H](OC)C(C)(C)C)cc1OC ZINC001314179703 1069719558 /nfs/dbraw/zinc/71/95/58/1069719558.db2.gz QHRYPRZMQASNFS-XMSQKQJNSA-N 1 0 459.635 3.944 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCCC2)cc1OC ZINC001314179847 1069720202 /nfs/dbraw/zinc/72/02/02/1069720202.db2.gz UOWRBYOCBOKZJY-HXUWFJFHSA-N 1 0 497.562 3.994 20 0 JHADRO CCOc1ccc([C@@H]2CCCN2c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](CC)C(C)C)cc1 ZINC001314179984 1069721387 /nfs/dbraw/zinc/72/13/87/1069721387.db2.gz ASJKTRFIDMOOGU-GGAORHGYSA-N 1 0 489.686 3.651 20 0 JHADRO CCCN(CCn1c(-c2cccnc2)nnc1N1CCC([NH2+]C(C)C)CC1)C(=O)OC(C)(C)C ZINC001307016188 1069723952 /nfs/dbraw/zinc/72/39/52/1069723952.db2.gz MLULVCXNPLEVGN-UHFFFAOYSA-N 1 0 471.650 3.954 20 0 JHADRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001312107583 1069723817 /nfs/dbraw/zinc/72/38/17/1069723817.db2.gz QOZBHTHOIAPHTK-DQEYMECFSA-N 1 0 451.611 3.789 20 0 JHADRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001312107585 1069723919 /nfs/dbraw/zinc/72/39/19/1069723919.db2.gz QOZBHTHOIAPHTK-LOSJGSFVSA-N 1 0 451.611 3.789 20 0 JHADRO CCOc1ccc([C@@H]2CCCN2c2nnc(CN3CCCC3=O)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001314181391 1069725099 /nfs/dbraw/zinc/72/50/99/1069725099.db2.gz YRXQXBRMPQSVPM-QFIPXVFZSA-N 1 0 468.646 3.729 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(-c3cccnc3)n2CC2([NH+](C)C)CCC2)cc1OC ZINC001314181846 1069726457 /nfs/dbraw/zinc/72/64/57/1069726457.db2.gz UMUFVRHAHQFSSR-UHFFFAOYSA-N 1 0 450.587 3.868 20 0 JHADRO O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001312119170 1069730959 /nfs/dbraw/zinc/73/09/59/1069730959.db2.gz TZJXMYJPLPJMOC-GOSISDBHSA-N 1 0 454.518 3.881 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001314184650 1069735966 /nfs/dbraw/zinc/73/59/66/1069735966.db2.gz XKHVCISRJNZKSG-QFIPXVFZSA-N 1 0 468.646 3.670 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001312128829 1069736104 /nfs/dbraw/zinc/73/61/04/1069736104.db2.gz KVAHVCUQGAAINL-IFMALSPDSA-N 1 0 456.631 3.940 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001312128831 1069736176 /nfs/dbraw/zinc/73/61/76/1069736176.db2.gz KVAHVCUQGAAINL-RBBKRZOGSA-N 1 0 456.631 3.940 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(CC)CCc2cccs2)CC1 ZINC001307029205 1069736453 /nfs/dbraw/zinc/73/64/53/1069736453.db2.gz JLSZYZWDLQMBNZ-UHFFFAOYSA-N 1 0 458.676 3.767 20 0 JHADRO CCOc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001314185622 1069738286 /nfs/dbraw/zinc/73/82/86/1069738286.db2.gz VHGPELPAQGRLRL-ZEQRLZLVSA-N 1 0 471.646 3.912 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC001307029620 1069737349 /nfs/dbraw/zinc/73/73/49/1069737349.db2.gz OESWBWMVCRQRRF-DEOSSOPVSA-N 1 0 481.689 3.644 20 0 JHADRO Cc1ccc([C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001312133345 1069739176 /nfs/dbraw/zinc/73/91/76/1069739176.db2.gz UBDFMWNGBCALBL-INXDJGNKSA-N 1 0 455.624 3.755 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)C1 ZINC001307030790 1069739306 /nfs/dbraw/zinc/73/93/06/1069739306.db2.gz DYRBSYJHVZGKAI-LEWJYISDSA-N 1 0 456.635 3.567 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H](C)OCCOC)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001307030651 1069739427 /nfs/dbraw/zinc/73/94/27/1069739427.db2.gz APYZWKUXJXWGKG-IEBWSBKVSA-N 1 0 461.573 3.903 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001307032486 1069744449 /nfs/dbraw/zinc/74/44/49/1069744449.db2.gz UCLGNASXGXVVLV-WOJBJXKFSA-N 1 0 489.064 3.692 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[C@@H](CNC(C)=O)C2)C1 ZINC001307032485 1069744554 /nfs/dbraw/zinc/74/45/54/1069744554.db2.gz UCLGNASXGXVVLV-VQTJNVASSA-N 1 0 489.064 3.692 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)CC[C@@H]2C)C1 ZINC001307032561 1069745366 /nfs/dbraw/zinc/74/53/66/1069745366.db2.gz DRMHMVJNCXQSCA-UFYCRDLUSA-N 1 0 459.660 3.705 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001307032821 1069746207 /nfs/dbraw/zinc/74/62/07/1069746207.db2.gz XUISAQCQOCCZHK-AEFFLSMTSA-N 1 0 498.981 3.835 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCSC[C@@H]2C)C1 ZINC001307033069 1069746974 /nfs/dbraw/zinc/74/69/74/1069746974.db2.gz MGNFDEGOJVWYOR-JKSUJKDBSA-N 1 0 467.481 3.720 20 0 JHADRO CCOc1ccc(CN2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCC[N@@H+]3CC)CC2)cc1 ZINC001314189346 1069747337 /nfs/dbraw/zinc/74/73/37/1069747337.db2.gz SHDJSIKSSADUMN-QFIPXVFZSA-N 1 0 454.663 3.781 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(OC)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001307034286 1069750635 /nfs/dbraw/zinc/75/06/35/1069750635.db2.gz OSLPMWVSFFRNCZ-OAQYLSRUSA-N 1 0 482.673 3.769 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001307034317 1069750995 /nfs/dbraw/zinc/75/09/95/1069750995.db2.gz PLDGYEQZNHLYDF-LJQANCHMSA-N 1 0 493.743 3.878 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCS(=O)CC2)C1 ZINC001307034746 1069751382 /nfs/dbraw/zinc/75/13/82/1069751382.db2.gz RDVWWQSMCGNMNU-UXHICEINSA-N 1 0 494.105 3.989 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001307033375 1069748252 /nfs/dbraw/zinc/74/82/52/1069748252.db2.gz KIYJZMLCZOLBCW-UHFFFAOYSA-N 1 0 452.647 3.691 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@](C)(O)C2CC2)cc1 ZINC001314192021 1069754859 /nfs/dbraw/zinc/75/48/59/1069754859.db2.gz RQWUGKJVLWLAAM-FDTRYVBHSA-N 1 0 471.646 3.897 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N(C)C3CCCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001314192076 1069755446 /nfs/dbraw/zinc/75/54/46/1069755446.db2.gz AJVJAESCCAMRTA-UQBPGWFLSA-N 1 0 457.619 3.652 20 0 JHADRO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC001312157341 1069756056 /nfs/dbraw/zinc/75/60/56/1069756056.db2.gz HULZRYYKBIEUNN-SFHVURJKSA-N 1 0 453.425 3.592 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H](C)CC)nnc2N2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001307037763 1069759797 /nfs/dbraw/zinc/75/97/97/1069759797.db2.gz XHHIFOUGXUAGJX-NRFANRHFSA-N 1 0 452.647 3.876 20 0 JHADRO COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)NC[C@@]1([NH+](C)C)CCSC1)CC2 ZINC001312165769 1069760324 /nfs/dbraw/zinc/76/03/24/1069760324.db2.gz GFALRVWUYRHJTE-NOZRDPDXSA-N 1 0 455.624 3.798 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001307039187 1069763652 /nfs/dbraw/zinc/76/36/52/1069763652.db2.gz SFCHODHMOSYEMZ-HBFSDRIKSA-N 1 0 482.094 3.512 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccn3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001307039186 1069762692 /nfs/dbraw/zinc/76/26/92/1069762692.db2.gz OSIXXYIPDGQJEI-FQEVSTJZSA-N 1 0 469.634 3.566 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001307039156 1069762987 /nfs/dbraw/zinc/76/29/87/1069762987.db2.gz RNUGJPJHFSIKMF-UYAOXDASSA-N 1 0 482.570 3.813 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001307039155 1069763047 /nfs/dbraw/zinc/76/30/47/1069763047.db2.gz RNUGJPJHFSIKMF-QUCCMNQESA-N 1 0 482.570 3.813 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001307039698 1069764993 /nfs/dbraw/zinc/76/49/93/1069764993.db2.gz ZIZJBQGLFYYMBO-YADHBBJMSA-N 1 0 473.065 3.607 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001307039902 1069765062 /nfs/dbraw/zinc/76/50/62/1069765062.db2.gz GHMVVLPNYXYTHX-OAQYLSRUSA-N 1 0 481.563 3.767 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001307040143 1069765869 /nfs/dbraw/zinc/76/58/69/1069765869.db2.gz JYWCCJNCQQHQGR-HSZRJFAPSA-N 1 0 481.689 3.517 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 ZINC001307040125 1069766060 /nfs/dbraw/zinc/76/60/60/1069766060.db2.gz WICHYCBZCAYUHR-HXUWFJFHSA-N 1 0 456.610 3.511 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001307041512 1069769229 /nfs/dbraw/zinc/76/92/29/1069769229.db2.gz ULXBEAGLKOJKBQ-HSZRJFAPSA-N 1 0 497.688 3.832 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccn3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC001307040792 1069767696 /nfs/dbraw/zinc/76/76/96/1069767696.db2.gz XPIGPCHKOXOUFM-NRFANRHFSA-N 1 0 481.689 3.839 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccn3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001307040800 1069767814 /nfs/dbraw/zinc/76/78/14/1069767814.db2.gz XUBFOHCGDXBRAH-NRFANRHFSA-N 1 0 483.661 3.956 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC001307041717 1069769976 /nfs/dbraw/zinc/76/99/76/1069769976.db2.gz HPOHYOQZSYQXKI-ICSRJNTNSA-N 1 0 472.600 3.715 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001307041952 1069770514 /nfs/dbraw/zinc/77/05/14/1069770514.db2.gz NFVWEPVHUKLPEE-VXKWHMMOSA-N 1 0 482.673 3.688 20 0 JHADRO C[N@H+](CCNC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)Cc1ccc(F)cc1 ZINC001312185758 1069770569 /nfs/dbraw/zinc/77/05/69/1069770569.db2.gz XAJVIKWBLSWSDO-UHFFFAOYSA-N 1 0 452.496 3.804 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001307042188 1069771355 /nfs/dbraw/zinc/77/13/55/1069771355.db2.gz DSUVEENSNXAGNZ-GJZGRUSLSA-N 1 0 458.554 3.626 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001307042193 1069771613 /nfs/dbraw/zinc/77/16/13/1069771613.db2.gz DSUVEENSNXAGNZ-LSDHHAIUSA-N 1 0 458.554 3.626 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001307043386 1069774167 /nfs/dbraw/zinc/77/41/67/1069774167.db2.gz JWCFFYHYMQYMPZ-OALUTQOASA-N 1 0 499.603 3.567 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cc(OC)cc(OC)c2)C1 ZINC001307043837 1069775858 /nfs/dbraw/zinc/77/58/58/1069775858.db2.gz UAMBSTOCFATHJI-FPOVZHCZSA-N 1 0 457.619 3.558 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2sc(CC)nc2C)CC1 ZINC001307043948 1069776381 /nfs/dbraw/zinc/77/63/81/1069776381.db2.gz VZQIFWIAECHSIX-PKOBYXMFSA-N 1 0 473.691 3.876 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CCC(F)(F)F)C1 ZINC001307044009 1069776648 /nfs/dbraw/zinc/77/66/48/1069776648.db2.gz NYLDGQBBHYYATM-SFHVURJKSA-N 1 0 480.583 3.573 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001307044395 1069777325 /nfs/dbraw/zinc/77/73/25/1069777325.db2.gz ZQJBDCKBPPSGSF-QHCPKHFHSA-N 1 0 489.686 3.682 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCOC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001307044588 1069778334 /nfs/dbraw/zinc/77/83/34/1069778334.db2.gz RNDPXSMUHXZEST-QFIPXVFZSA-N 1 0 490.693 3.645 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001314197058 1069778449 /nfs/dbraw/zinc/77/84/49/1069778449.db2.gz LZJIQFYFMYEUFV-IAGOWNOFSA-N 1 0 485.551 3.661 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC001307044646 1069778895 /nfs/dbraw/zinc/77/88/95/1069778895.db2.gz HTIHCPPTINMXJE-UHFFFAOYSA-N 1 0 489.064 3.552 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccc(OC)cc3)nnc2N2CCS[C@H](C)C2)CC1 ZINC001307045536 1069782541 /nfs/dbraw/zinc/78/25/41/1069782541.db2.gz MGSUGLIAUINPAI-LJQANCHMSA-N 1 0 459.660 3.929 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccn(C)n2)CC1 ZINC001307046109 1069783910 /nfs/dbraw/zinc/78/39/10/1069783910.db2.gz RGEGHLJLCKQONR-UHFFFAOYSA-N 1 0 458.010 3.700 20 0 JHADRO O=C(NCCc1c(F)cccc1Cl)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001312212499 1069785352 /nfs/dbraw/zinc/78/53/52/1069785352.db2.gz GSILSDFWHHZAFC-IBGZPJMESA-N 1 0 459.997 3.660 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2cnn(C)c2C)C1 ZINC001307046580 1069786144 /nfs/dbraw/zinc/78/61/44/1069786144.db2.gz QYMXIPINNHUYML-IBGZPJMESA-N 1 0 472.037 3.921 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(F)(F)C3)n2C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC001314199033 1069786514 /nfs/dbraw/zinc/78/65/14/1069786514.db2.gz RADFVFWYFHTEFI-PMACEKPBSA-N 1 0 492.615 3.688 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Nc3ccn(C)n3)nnc2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001307047159 1069788436 /nfs/dbraw/zinc/78/84/36/1069788436.db2.gz QLTAHQBHSINNEF-ROUUACIJSA-N 1 0 458.611 3.559 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC001307047317 1069789111 /nfs/dbraw/zinc/78/91/11/1069789111.db2.gz YBKJWQINSSDQIK-AWEZNQCLSA-N 1 0 457.463 3.868 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CC(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC001307048828 1069795190 /nfs/dbraw/zinc/79/51/90/1069795190.db2.gz ZJJYCINKHUTYBE-UHFFFAOYSA-N 1 0 458.626 3.665 20 0 JHADRO O=C(NCCc1nc2cc(Cl)ccc2s1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001312226681 1069793101 /nfs/dbraw/zinc/79/31/01/1069793101.db2.gz LJDCMACWKIDHKH-MJGOQNOKSA-N 1 0 459.015 3.674 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3OC)n2Cc2nccn2C(F)F)CC1 ZINC001307048162 1069793204 /nfs/dbraw/zinc/79/32/04/1069793204.db2.gz OYWABXPVACFWBJ-UHFFFAOYSA-N 1 0 473.572 3.828 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001314201063 1069793952 /nfs/dbraw/zinc/79/39/52/1069793952.db2.gz MXGQIOSQHGHKAV-RBBKRZOGSA-N 1 0 498.672 3.796 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[C@H](NC(C)=O)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001314201064 1069793961 /nfs/dbraw/zinc/79/39/61/1069793961.db2.gz MXGQIOSQHGHKAV-UNMCSNQZSA-N 1 0 498.672 3.796 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2CCc2csc(C(C)C)n2)CC1 ZINC001307048714 1069794587 /nfs/dbraw/zinc/79/45/87/1069794587.db2.gz DJIMNWPIGZKZDP-UHFFFAOYSA-N 1 0 461.680 3.550 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)cc3)n2Cc2c(C)nn(C)c2C)CC1 ZINC001307050383 1069799985 /nfs/dbraw/zinc/79/99/85/1069799985.db2.gz VPFLAEKPLXAIHC-UHFFFAOYSA-N 1 0 451.619 3.663 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(F)cc2C)CC1 ZINC001307049288 1069796786 /nfs/dbraw/zinc/79/67/86/1069796786.db2.gz IFFXGUQXISHNPK-AREMUKBSSA-N 1 0 473.637 3.931 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C)c(C)c3)n2Cc2snnc2C)CC1 ZINC001307051508 1069804364 /nfs/dbraw/zinc/80/43/64/1069804364.db2.gz PUUPPGIQISBILD-UHFFFAOYSA-N 1 0 469.659 3.993 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(F)cc(OC)c2)CC1 ZINC001307051494 1069804549 /nfs/dbraw/zinc/80/45/49/1069804549.db2.gz PFKDCEWYMZVGLW-CVDCTZTESA-N 1 0 475.609 3.509 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@H](OC)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001314202822 1069804550 /nfs/dbraw/zinc/80/45/50/1069804550.db2.gz VHQQDKNBVXJLIG-TXTKFYIRSA-N 1 0 457.619 3.774 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC)c(OC)c2OC)CC1 ZINC001307051047 1069802123 /nfs/dbraw/zinc/80/21/23/1069802123.db2.gz DOPOXYOADADPCQ-UHFFFAOYSA-N 1 0 468.602 3.658 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001307052580 1069808729 /nfs/dbraw/zinc/80/87/29/1069808729.db2.gz CNTAAJSKGFJYJH-FCHUYYIVSA-N 1 0 489.064 3.912 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 ZINC001307051782 1069805752 /nfs/dbraw/zinc/80/57/52/1069805752.db2.gz NANSAPWCZPKBNL-UHFFFAOYSA-N 1 0 499.063 3.980 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)CCC(C)C)CC1 ZINC001307051918 1069805827 /nfs/dbraw/zinc/80/58/27/1069805827.db2.gz OAGAERGVCHRZSG-VWLOTQADSA-N 1 0 474.650 3.504 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3cccc(C)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001307052660 1069809037 /nfs/dbraw/zinc/80/90/37/1069809037.db2.gz CBXYNSLMZUEWLX-UHFFFAOYSA-N 1 0 491.640 3.878 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)cc2F)CC1 ZINC001307052107 1069807136 /nfs/dbraw/zinc/80/71/36/1069807136.db2.gz YPPHXACRIUOTRM-REWPJTCUSA-N 1 0 459.610 3.809 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001307052843 1069809427 /nfs/dbraw/zinc/80/94/27/1069809427.db2.gz GLVHCLPIQHWOAQ-VWLOTQADSA-N 1 0 488.702 3.521 20 0 JHADRO Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(N2CCOCC2)c1 ZINC001312252074 1069810381 /nfs/dbraw/zinc/81/03/81/1069810381.db2.gz UEWIIGMDRRQVNM-XMMPIXPASA-N 1 0 450.627 3.933 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001307053210 1069811288 /nfs/dbraw/zinc/81/12/88/1069811288.db2.gz BHDABTXUIYNSII-ROUUACIJSA-N 1 0 489.462 3.639 20 0 JHADRO CCOc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)c1 ZINC001314205335 1069815008 /nfs/dbraw/zinc/81/50/08/1069815008.db2.gz DYBFBXGAFOYHCJ-GGAORHGYSA-N 1 0 457.619 3.514 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001307054884 1069818591 /nfs/dbraw/zinc/81/85/91/1069818591.db2.gz NZNWNYNNOGYMCL-UYAOXDASSA-N 1 0 477.053 3.878 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(CC)CCS(C)(=O)=O ZINC001307054740 1069817617 /nfs/dbraw/zinc/81/76/17/1069817617.db2.gz LEVAFNISEXJNMC-OAQYLSRUSA-N 1 0 484.670 3.629 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1CC ZINC001307055261 1069821351 /nfs/dbraw/zinc/82/13/51/1069821351.db2.gz ORPIKZPVJLLWOL-LEWJYISDSA-N 1 0 459.660 3.992 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(=O)NCC)c2)CC1 ZINC001307055112 1069819185 /nfs/dbraw/zinc/81/91/85/1069819185.db2.gz KCMBOZGLPFRGPC-QHCPKHFHSA-N 1 0 468.646 3.628 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)c(OCC)c2)CC1 ZINC001307055087 1069819419 /nfs/dbraw/zinc/81/94/19/1069819419.db2.gz JLVUNSRWZVIJKY-OAQYLSRUSA-N 1 0 471.646 3.938 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001307055393 1069820470 /nfs/dbraw/zinc/82/04/70/1069820470.db2.gz PGPPZGKXAISHKI-FDFHNCONSA-N 1 0 498.672 3.748 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C1 ZINC001307056008 1069825416 /nfs/dbraw/zinc/82/54/16/1069825416.db2.gz SGOJXZPLCGERAJ-WIYYLYMNSA-N 1 0 459.038 3.972 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001307056151 1069825478 /nfs/dbraw/zinc/82/54/78/1069825478.db2.gz CFGDAFOSEOAOCZ-PZJWPPBQSA-N 1 0 480.078 3.735 20 0 JHADRO CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccco1 ZINC001312269318 1069826225 /nfs/dbraw/zinc/82/62/25/1069826225.db2.gz CSUIGVPNAXGPIX-MLHJIOFPSA-N 1 0 452.596 3.769 20 0 JHADRO C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC001312274536 1069829257 /nfs/dbraw/zinc/82/92/57/1069829257.db2.gz FKAGSAVSARCANQ-AWEZNQCLSA-N 1 0 450.381 3.933 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001307057233 1069833134 /nfs/dbraw/zinc/83/31/34/1069833134.db2.gz XBSMWUZMYSIPFE-AKHDSKFASA-N 1 0 461.573 3.901 20 0 JHADRO C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC001312275537 1069829932 /nfs/dbraw/zinc/82/99/32/1069829932.db2.gz IVUFFSSWESAIOG-AWEZNQCLSA-N 1 0 450.381 3.981 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001307056991 1069830735 /nfs/dbraw/zinc/83/07/35/1069830735.db2.gz UKLNBEFLEQESCD-DHIUTWEWSA-N 1 0 498.672 3.940 20 0 JHADRO 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ZINC001307486379 1070012377 /nfs/dbraw/zinc/01/23/77/1070012377.db2.gz GXDGUABQIRVYJT-OAQYLSRUSA-N 1 0 452.574 3.501 20 0 JHADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC001312557266 1070012836 /nfs/dbraw/zinc/01/28/36/1070012836.db2.gz VMVZCAUVPGJTKR-NLJOTIRTSA-N 1 0 451.611 3.649 20 0 JHADRO CCCC[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC001307487722 1070013114 /nfs/dbraw/zinc/01/31/14/1070013114.db2.gz OVVNLSBOQTYICK-FQEVSTJZSA-N 1 0 459.612 3.509 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCCN(C(=O)c2ccccc2F)CC1)C1CC1 ZINC001312558821 1070013392 /nfs/dbraw/zinc/01/33/92/1070013392.db2.gz KCWXGWLLQAHOJO-XMMPIXPASA-N 1 0 452.574 3.594 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001314265841 1070014458 /nfs/dbraw/zinc/01/44/58/1070014458.db2.gz LJQRRFHRMONHSD-BJKOFHAPSA-N 1 0 482.673 3.724 20 0 JHADRO COc1cc(N2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)CC2)ccc1F ZINC001312572047 1070022088 /nfs/dbraw/zinc/02/20/88/1070022088.db2.gz CXAXDTGYNDTEGW-XMMPIXPASA-N 1 0 454.590 3.967 20 0 JHADRO COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CC(c4ccc(C)c(C)c4)=NO3)CC2)cc1 ZINC001312571298 1070021060 /nfs/dbraw/zinc/02/10/60/1070021060.db2.gz CKVMXFVPQRGAIE-XMMPIXPASA-N 1 0 450.583 3.723 20 0 JHADRO C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001312571516 1070021274 /nfs/dbraw/zinc/02/12/74/1070021274.db2.gz BVRKQFRROMXHJP-YTQUADARSA-N 1 0 454.537 3.528 20 0 JHADRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)C12CCCCC2 ZINC001307503353 1070021612 /nfs/dbraw/zinc/02/16/12/1070021612.db2.gz MTAXRYVVZQETLH-VXKWHMMOSA-N 1 0 457.663 3.617 20 0 JHADRO O=C(NCCc1cccc(OCC(F)(F)F)c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001312566517 1070017719 /nfs/dbraw/zinc/01/77/19/1070017719.db2.gz HTNHLNQKFMTRLL-UHFFFAOYSA-N 1 0 457.537 3.704 20 0 JHADRO CCO[C@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001314270139 1070024065 /nfs/dbraw/zinc/02/40/65/1070024065.db2.gz ZYPFNDZYDXVEBC-RXVVDRJESA-N 1 0 463.623 3.611 20 0 JHADRO CO[C@@H](C)c1nc(CN2CCC[N@H+](C[C@H](O)COc3cc(C)ccc3Cl)CC2)cs1 ZINC001307509230 1070025636 /nfs/dbraw/zinc/02/56/36/1070025636.db2.gz CXNKUMMMLODVJT-HKUYNNGSSA-N 1 0 454.036 3.760 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314271904 1070027169 /nfs/dbraw/zinc/02/71/69/1070027169.db2.gz RRVKTETWFHJSNA-CTNGQTDRSA-N 1 0 457.619 3.700 20 0 JHADRO O=C(NCc1ccc(F)cc1)C1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC001312580206 1070025911 /nfs/dbraw/zinc/02/59/11/1070025911.db2.gz MMOHWSYDJCNEIX-UHFFFAOYSA-N 1 0 458.622 3.910 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001314273524 1070028976 /nfs/dbraw/zinc/02/89/76/1070028976.db2.gz KITQVMYBDPIOES-HSZRJFAPSA-N 1 0 484.693 3.576 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314276062 1070033823 /nfs/dbraw/zinc/03/38/23/1070033823.db2.gz QMDXQOMKFXQAGO-MZKRTTBSSA-N 1 0 471.694 3.902 20 0 JHADRO C[NH+](C)C[C@@H](NC(=O)NCc1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)cc1 ZINC001312596187 1070036270 /nfs/dbraw/zinc/03/62/70/1070036270.db2.gz XIHXCGPCSDWFFX-HXUWFJFHSA-N 1 0 451.398 3.932 20 0 JHADRO CC(=O)Nc1ccc(CNC(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cn1 ZINC001312603949 1070040613 /nfs/dbraw/zinc/04/06/13/1070040613.db2.gz CLCCGVCTAJBNLB-RPLLCQBOSA-N 1 0 457.578 3.898 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001314277611 1070038486 /nfs/dbraw/zinc/03/84/86/1070038486.db2.gz ZKBOAQINGKMXHE-CQOQZXRMSA-N 1 0 485.673 3.793 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)CC1 ZINC001307540926 1070042688 /nfs/dbraw/zinc/04/26/88/1070042688.db2.gz BZDSUZUKMOAGCN-UHFFFAOYSA-N 1 0 455.603 3.891 20 0 JHADRO CCOCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001314281806 1070048027 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/nfs/dbraw/zinc/06/47/64/1070064764.db2.gz HJFSCFSWGBVSKM-HXUWFJFHSA-N 1 0 452.414 3.940 20 0 JHADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@H]3C[C@H](O)c3cnn(C)c3)ccc2c1 ZINC001307587046 1070065816 /nfs/dbraw/zinc/06/58/16/1070065816.db2.gz JAQDQEVCCKOYRR-WYRQLCSISA-N 1 0 450.583 3.517 20 0 JHADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC001307590870 1070069816 /nfs/dbraw/zinc/06/98/16/1070069816.db2.gz YGRZUWMVHLGIBA-MCFFVMPBSA-N 1 0 459.516 3.812 20 0 JHADRO C[C@H](NC(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC001312658066 1070067064 /nfs/dbraw/zinc/06/70/64/1070067064.db2.gz CBUFTNZQVPGAEX-WMQCIHAUSA-N 1 0 451.575 3.788 20 0 JHADRO CCOCC(C)(C)Cn1c(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001314289383 1070067410 /nfs/dbraw/zinc/06/74/10/1070067410.db2.gz BBQUXLSYXZKBOY-PZJWPPBQSA-N 1 0 459.683 3.891 20 0 JHADRO CCOCc1ccccc1Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001314294389 1070077281 /nfs/dbraw/zinc/07/72/81/1070077281.db2.gz BFHMIGAJXVGQLN-DRLORSAXSA-N 1 0 496.700 3.755 20 0 JHADRO Cc1nc(-c2ccc([C@@H](C)[NH2+]CC(=O)NCC(=O)N[C@H](C)c3ccc(F)cc3)cc2)cs1 ZINC001307621360 1070084334 /nfs/dbraw/zinc/08/43/34/1070084334.db2.gz QYLYQMYMUXXIFZ-HZPDHXFCSA-N 1 0 454.571 3.902 20 0 JHADRO CCOCc1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314302727 1070087850 /nfs/dbraw/zinc/08/78/50/1070087850.db2.gz XEXLGOPUFVIORV-XMMPIXPASA-N 1 0 465.646 3.947 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccc2ccccc2c1 ZINC001307630118 1070089265 /nfs/dbraw/zinc/08/92/65/1070089265.db2.gz SAKSDFDFPNCXGR-HXUWFJFHSA-N 1 0 454.571 3.716 20 0 JHADRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 ZINC001307631899 1070090349 /nfs/dbraw/zinc/09/03/49/1070090349.db2.gz XEJNREQTDBRBSA-SFHVURJKSA-N 1 0 453.564 3.810 20 0 JHADRO Cc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC001307635407 1070093988 /nfs/dbraw/zinc/09/39/88/1070093988.db2.gz TTYXQEXIFHPFLK-NVQXNPDNSA-N 1 0 450.583 3.646 20 0 JHADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001307634000 1070092644 /nfs/dbraw/zinc/09/26/44/1070092644.db2.gz ACHRHSRWXWVXAF-CQSZACIVSA-N 1 0 454.328 3.781 20 0 JHADRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC001307635406 1070092890 /nfs/dbraw/zinc/09/28/90/1070092890.db2.gz TTYXQEXIFHPFLK-GJZUVCINSA-N 1 0 450.583 3.646 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)N3CC[C@H](Cc4nc(C)cs4)C3)CC2)cc1 ZINC001312718119 1070092956 /nfs/dbraw/zinc/09/29/56/1070092956.db2.gz CAHALCZPGWCLBJ-HXUWFJFHSA-N 1 0 455.628 3.649 20 0 JHADRO COc1ccc(NC(=O)C[NH2+][C@@H](CC2CCCC2)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC001307634897 1070093120 /nfs/dbraw/zinc/09/31/20/1070093120.db2.gz MFVYHQBTVJHENR-NRFANRHFSA-N 1 0 459.612 3.795 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001312732066 1070096361 /nfs/dbraw/zinc/09/63/61/1070096361.db2.gz CJOSCXIWSVHMRQ-CEMLEFRQSA-N 1 0 462.610 3.950 20 0 JHADRO CCOCc1nnc(N(C)CCc2ccc(Br)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001314309518 1070096465 /nfs/dbraw/zinc/09/64/65/1070096465.db2.gz FDNDSOSLSBHXOY-SFHVURJKSA-N 1 0 462.436 3.740 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)c1nc(C)cs1 ZINC001314310687 1070098576 /nfs/dbraw/zinc/09/85/76/1070098576.db2.gz QMNSZXYRHDOGTC-ZWCUEREDSA-N 1 0 486.690 3.636 20 0 JHADRO CCOCc1nnc(N2Cc3ccccc3O[C@H](C)C2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001314323590 1070108831 /nfs/dbraw/zinc/10/88/31/1070108831.db2.gz GOISEIQNABEXOT-NFBKMPQASA-N 1 0 471.646 3.739 20 0 JHADRO CCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307656713 1070106296 /nfs/dbraw/zinc/10/62/96/1070106296.db2.gz FTZVAWZIEPEJBP-BJKOFHAPSA-N 1 0 451.611 3.964 20 0 JHADRO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1=O ZINC001312758009 1070107602 /nfs/dbraw/zinc/10/76/02/1070107602.db2.gz RCWWTEUXJBGHJM-FDDCHVKYSA-N 1 0 458.553 3.790 20 0 JHADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001312758295 1070107660 /nfs/dbraw/zinc/10/76/60/1070107660.db2.gz UQXWDXKNUCLDNU-HYBUGGRVSA-N 1 0 454.590 3.960 20 0 JHADRO C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1=O ZINC001312758012 1070107847 /nfs/dbraw/zinc/10/78/47/1070107847.db2.gz RCWWTEUXJBGHJM-WZONZLPQSA-N 1 0 458.553 3.790 20 0 JHADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)oc21 ZINC001307661237 1070108254 /nfs/dbraw/zinc/10/82/54/1070108254.db2.gz BEMRFCTVPAFJBR-INIZCTEOSA-N 1 0 459.568 3.680 20 0 JHADRO CCCN(C(=O)N[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001312782041 1070118433 /nfs/dbraw/zinc/11/84/33/1070118433.db2.gz KBBGFDQRVQKNHV-MYDTUXCISA-N 1 0 456.631 3.938 20 0 JHADRO CCOCc1nnc(N2C[C@@H](C)S[C@H](C)C2)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001314329606 1070120786 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WECREKMLMGZMNW-DENIHFKCSA-N 1 0 487.542 3.786 20 0 JHADRO COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001307702113 1070135127 /nfs/dbraw/zinc/13/51/27/1070135127.db2.gz GAQYAVBBVNMMDA-QFIPXVFZSA-N 1 0 450.501 3.972 20 0 JHADRO O=C1[C@@H]([N@@H+](Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)CCN1CC(F)(F)F ZINC001307698289 1070134132 /nfs/dbraw/zinc/13/41/32/1070134132.db2.gz CHQIGRGPDRCEGQ-OALUTQOASA-N 1 0 458.427 3.987 20 0 JHADRO CCOCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@](C)(O)c1ccco1 ZINC001314341062 1070140271 /nfs/dbraw/zinc/14/02/71/1070140271.db2.gz FKHXOEWVFCJGFJ-NLFFAJNJSA-N 1 0 459.635 3.796 20 0 JHADRO O=C(NCc1ccncc1OC[C@H]1CCOC1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001312817121 1070139721 /nfs/dbraw/zinc/13/97/21/1070139721.db2.gz SYIGGOBVMDMYEY-GOTSBHOMSA-N 1 0 452.599 3.598 20 0 JHADRO C[N@H+](CCCOCc1ccccc1)C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001307714422 1070140681 /nfs/dbraw/zinc/14/06/81/1070140681.db2.gz BIMYCHXFMFMCPR-JOCHJYFZSA-N 1 0 450.501 3.706 20 0 JHADRO COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c2ncccc12 ZINC001307712870 1070140714 /nfs/dbraw/zinc/14/07/14/1070140714.db2.gz LDLYDOLRUYOEND-QGZVFWFLSA-N 1 0 453.564 3.754 20 0 JHADRO Cc1cc(C(=O)N2CCN(C(=O)NC[C@H](c3ccc(CC(C)C)cc3)[NH+](C)C)CC2)c(C)o1 ZINC001312818850 1070140784 /nfs/dbraw/zinc/14/07/84/1070140784.db2.gz POLUGODIRKRMDL-XMMPIXPASA-N 1 0 454.615 3.865 20 0 JHADRO CCOCc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001314342473 1070143421 /nfs/dbraw/zinc/14/34/21/1070143421.db2.gz FSRCFKCYKATDCX-LEWJYISDSA-N 1 0 478.682 3.630 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)C(C)(C)C ZINC001307718923 1070144350 /nfs/dbraw/zinc/14/43/50/1070144350.db2.gz FGCAUHRAXFIGLY-NXMSCROESA-N 1 0 455.640 3.932 20 0 JHADRO CCOCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 ZINC001314342703 1070145061 /nfs/dbraw/zinc/14/50/61/1070145061.db2.gz XNIZUFTVBGGPGK-ZJSXRUAMSA-N 1 0 474.694 3.554 20 0 JHADRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCC(=O)Nc2ccc(OCc3ccccc3)cc2)O1 ZINC001307719914 1070145285 /nfs/dbraw/zinc/14/52/85/1070145285.db2.gz QVBSFTDWGSBXOS-LKDDOFHYSA-N 1 0 452.551 3.778 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001314343565 1070146726 /nfs/dbraw/zinc/14/67/26/1070146726.db2.gz GTGWTFDYTBHBOP-JOCHJYFZSA-N 1 0 499.660 3.572 20 0 JHADRO CCOCc1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001314345021 1070149857 /nfs/dbraw/zinc/14/98/57/1070149857.db2.gz FACCQBCZIDDDKG-UHFFFAOYSA-N 1 0 455.647 3.511 20 0 JHADRO CCOCc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314344988 1070149863 /nfs/dbraw/zinc/14/98/63/1070149863.db2.gz DKIUJOMQUKEGLQ-WOJBJXKFSA-N 1 0 478.682 3.676 20 0 JHADRO C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC001307730774 1070153926 /nfs/dbraw/zinc/15/39/26/1070153926.db2.gz WZNMJHMHHUOZJF-GOSISDBHSA-N 1 0 459.537 3.650 20 0 JHADRO CCOCc1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001314347981 1070156648 /nfs/dbraw/zinc/15/66/48/1070156648.db2.gz YLNZMBJKSCYYPM-IBGZPJMESA-N 1 0 467.536 3.869 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)c2ccccc2)cc1 ZINC001307742338 1070161209 /nfs/dbraw/zinc/16/12/09/1070161209.db2.gz PJYFODFKFPETGA-RPWUZVMVSA-N 1 0 451.592 3.563 20 0 JHADRO C[NH+]1CCC(CNC(=O)N2CCC(c3ccc(C(C)(C)C)cc3)CC2)(N2CCOCC2)CC1 ZINC001312860734 1070158296 /nfs/dbraw/zinc/15/82/96/1070158296.db2.gz KXNLHXQDDBKJNU-UHFFFAOYSA-N 1 0 456.675 3.670 20 0 JHADRO CCOCc1ccc(CNC(=O)C[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC001307748701 1070164060 /nfs/dbraw/zinc/16/40/60/1070164060.db2.gz PAWIECOZCINJHI-HSZRJFAPSA-N 1 0 450.501 3.850 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001312883556 1070166369 /nfs/dbraw/zinc/16/63/69/1070166369.db2.gz BEYKGHGFUXWGQA-CEMLEFRQSA-N 1 0 465.516 3.575 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(CC[NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)CC1 ZINC001307744213 1070162232 /nfs/dbraw/zinc/16/22/32/1070162232.db2.gz ITZAIKIJGKKXBX-UHFFFAOYSA-N 1 0 457.537 3.542 20 0 JHADRO C[C@@H]([NH2+]C1(CNC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CCOCC1)c1ccccc1 ZINC001312894025 1070169676 /nfs/dbraw/zinc/16/96/76/1070169676.db2.gz JCLHABYFDNXIPP-KCZVDYSFSA-N 1 0 474.646 3.974 20 0 JHADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001307762582 1070172669 /nfs/dbraw/zinc/17/26/69/1070172669.db2.gz XTTIRGQPDAUWOV-IBGZPJMESA-N 1 0 459.432 3.526 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(OC)cc3C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314354610 1070175344 /nfs/dbraw/zinc/17/53/44/1070175344.db2.gz ITEHNUNRVJHMPN-JOCHJYFZSA-N 1 0 471.646 3.905 20 0 JHADRO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C[NH2+][C@@H]1CCOC1(C)C ZINC001307779014 1070179430 /nfs/dbraw/zinc/17/94/30/1070179430.db2.gz NIFIPFLCSJVXAR-JOCHJYFZSA-N 1 0 455.555 3.832 20 0 JHADRO C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312925857 1070183444 /nfs/dbraw/zinc/18/34/44/1070183444.db2.gz KERLXWKCTTXOEL-VTSJOCERSA-N 1 0 473.658 3.561 20 0 JHADRO C[C@@H]1CN(C(=O)CN(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001307796732 1070186222 /nfs/dbraw/zinc/18/62/22/1070186222.db2.gz QCTPUTRZFTWXRN-RDGATRHJSA-N 1 0 450.627 3.574 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001314362490 1070186720 /nfs/dbraw/zinc/18/67/20/1070186720.db2.gz ZBENVMYBVMUKGG-HXUWFJFHSA-N 1 0 480.579 3.806 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001314365956 1070196502 /nfs/dbraw/zinc/19/65/02/1070196502.db2.gz NHZKQXTYZOVNMS-NRFANRHFSA-N 1 0 478.682 3.630 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001314365949 1070196690 /nfs/dbraw/zinc/19/66/90/1070196690.db2.gz NGWOJUASWZVJRI-JOAJOQFESA-N 1 0 487.714 3.832 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314366043 1070197213 /nfs/dbraw/zinc/19/72/13/1070197213.db2.gz FCXFARPYAVYVCZ-HXUWFJFHSA-N 1 0 464.655 3.525 20 0 JHADRO CC(C)(C)OC(=O)NCc1cn([C@H]2CCC[N@H+](CCOc3ccc(F)c(Cl)c3)C2)nn1 ZINC001307818549 1070198584 /nfs/dbraw/zinc/19/85/84/1070198584.db2.gz HTGTWNJLWWAWRR-INIZCTEOSA-N 1 0 453.946 3.811 20 0 JHADRO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001307827710 1070202629 /nfs/dbraw/zinc/20/26/29/1070202629.db2.gz UGUHXFDFFJQLOL-IBGZPJMESA-N 1 0 458.603 3.514 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCCN1CCCCCC1=O ZINC001314368988 1070204926 /nfs/dbraw/zinc/20/49/26/1070204926.db2.gz YKAPDUYPIAWISQ-GOTSBHOMSA-N 1 0 474.694 3.698 20 0 JHADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1F ZINC001307831227 1070205107 /nfs/dbraw/zinc/20/51/07/1070205107.db2.gz LJITWLMLNIJWFZ-IQMFZBJNSA-N 1 0 450.501 3.905 20 0 JHADRO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001312972413 1070205174 /nfs/dbraw/zinc/20/51/74/1070205174.db2.gz WYWXEBRCHYCOAG-JOCHJYFZSA-N 1 0 459.635 3.725 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314372278 1070208946 /nfs/dbraw/zinc/20/89/46/1070208946.db2.gz OZOJGBJMXNMTLV-HOTGVXAUSA-N 1 0 461.554 3.727 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001314372732 1070209763 /nfs/dbraw/zinc/20/97/63/1070209763.db2.gz ZNTAXBVPYDSHAO-UNMCSNQZSA-N 1 0 468.577 3.699 20 0 JHADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)NCC1(c2ccc(Br)cc2)CC1 ZINC001312990794 1070213257 /nfs/dbraw/zinc/21/32/57/1070213257.db2.gz BZMXNTBMXNODTG-UHFFFAOYSA-N 1 0 450.421 3.671 20 0 JHADRO CCN(C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001312989230 1070212070 /nfs/dbraw/zinc/21/20/70/1070212070.db2.gz XBXCIGBLIDJDRV-LSWJPFSZSA-N 1 0 450.583 3.668 20 0 JHADRO CCOCc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001314376727 1070217429 /nfs/dbraw/zinc/21/74/29/1070217429.db2.gz MQMZLLRCKBTDLO-DEOSSOPVSA-N 1 0 488.721 3.802 20 0 JHADRO CCOCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314377183 1070218085 /nfs/dbraw/zinc/21/80/85/1070218085.db2.gz BQDRTXBTIWWWHB-UHFFFAOYSA-N 1 0 494.606 3.726 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001313007969 1070219246 /nfs/dbraw/zinc/21/92/46/1070219246.db2.gz OWFVHBACFRKZEW-IRLDBZIGSA-N 1 0 458.603 3.964 20 0 JHADRO CCOCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001314377562 1070219553 /nfs/dbraw/zinc/21/95/53/1070219553.db2.gz FCSBPGMYPYZILC-FQEVSTJZSA-N 1 0 478.682 3.772 20 0 JHADRO CCOCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1(c2ccccc2)CCOCC1 ZINC001314377485 1070219885 /nfs/dbraw/zinc/21/98/85/1070219885.db2.gz URLFEUIMSSEUMT-UHFFFAOYSA-N 1 0 455.647 3.874 20 0 JHADRO 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COc1ccc([C@@H](C)NC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1C ZINC001313358432 1070336792 /nfs/dbraw/zinc/33/67/92/1070336792.db2.gz IUENKLUYYUZOEZ-FGZHOGPDSA-N 1 0 451.615 3.703 20 0 JHADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1OC ZINC001308178763 1070337714 /nfs/dbraw/zinc/33/77/14/1070337714.db2.gz YQZVZSBDAWTIDI-SNOBZRMMSA-N 1 0 473.614 3.889 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]CC(=O)NCCOc3ccc(C(F)(F)F)cc3)CCC[C@@H]12 ZINC001308178231 1070337881 /nfs/dbraw/zinc/33/78/81/1070337881.db2.gz RMZIMCRTJBXQDC-GCJKJVERSA-N 1 0 471.520 3.722 20 0 JHADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]C[C@H](c3ccccc3)N3CCOCC3)sc2C1 ZINC001308191196 1070338363 /nfs/dbraw/zinc/33/83/63/1070338363.db2.gz VHEOCGRSAQWBSV-HXUWFJFHSA-N 1 0 458.628 3.599 20 0 JHADRO CC1([NH+]2CCC2)CCC(NC(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)CC1 ZINC001313374818 1070339539 /nfs/dbraw/zinc/33/95/39/1070339539.db2.gz KLNRZJBAGQJOSD-JVVKFSLBSA-N 1 0 466.548 3.640 20 0 JHADRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(I)c(Br)cc1F ZINC001308234435 1070343855 /nfs/dbraw/zinc/34/38/55/1070343855.db2.gz TZYBFZLCZATVSO-SECBINFHSA-N 1 0 457.125 3.587 20 0 JHADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC[C@@](O)(c1nccn1C)C(F)(F)F ZINC001308218673 1070341677 /nfs/dbraw/zinc/34/16/77/1070341677.db2.gz KETLNCJJVFJAOR-HXUWFJFHSA-N 1 0 455.912 3.865 20 0 JHADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(C(F)(F)F)nc3N(C)C)cc2)C[C@H](C)O1 ZINC001308221575 1070342629 /nfs/dbraw/zinc/34/26/29/1070342629.db2.gz KLYADKXJRFWRNC-IYBDPMFKSA-N 1 0 450.505 3.706 20 0 JHADRO CCC[C@H]1CN(C(=O)N[C@@H]2CCSC3(CC(C(=O)OC)C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001313385891 1070343405 /nfs/dbraw/zinc/34/34/05/1070343405.db2.gz KNKFOZXEOGQGSN-LQDNNDEMSA-N 1 0 459.656 3.900 20 0 JHADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCSC2(CC(C(=O)OC)C2)C1 ZINC001313385777 1070343485 /nfs/dbraw/zinc/34/34/85/1070343485.db2.gz JGGRXQWNFAFXPN-ORHQAHCRSA-N 1 0 459.656 3.757 20 0 JHADRO C[NH+]1CCN(C[C@@H](NCc2cccc(F)c2I)c2ccccc2)CC1 ZINC001308243609 1070344719 /nfs/dbraw/zinc/34/47/19/1070344719.db2.gz ANYLAIFGESIUAA-LJQANCHMSA-N 1 0 453.343 3.509 20 0 JHADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCc2ncc(Br)n2C1 ZINC001313418864 1070354010 /nfs/dbraw/zinc/35/40/10/1070354010.db2.gz MXTVWZAHDGLNPV-OAHLLOKOSA-N 1 0 454.438 3.576 20 0 JHADRO C[C@H]1CN(C(=O)N[C@H](c2nccn2C)c2ccc(F)c(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001313413189 1070351753 /nfs/dbraw/zinc/35/17/53/1070351753.db2.gz DPPWUWSMRZFLJM-JPYJTQIMSA-N 1 0 453.537 3.951 20 0 JHADRO O=C1[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCN1CCCc1ccccc1 ZINC001308302758 1070354162 /nfs/dbraw/zinc/35/41/62/1070354162.db2.gz HUJRVNZCPPEOAW-FQEVSTJZSA-N 1 0 459.384 3.934 20 0 JHADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCNC(=O)C(C)(C)C)cc1OC ZINC001308295194 1070353279 /nfs/dbraw/zinc/35/32/79/1070353279.db2.gz NXZAQINBEHAZPV-UHFFFAOYSA-N 1 0 450.583 3.868 20 0 JHADRO COc1cc(CN2CC[C@@H]([NH2+]C3CCN(C(=O)c4ccccc4Cl)CC3)C2)cc(OC)c1 ZINC001308308460 1070354397 /nfs/dbraw/zinc/35/43/97/1070354397.db2.gz RITVEJLJKVFZNC-HXUWFJFHSA-N 1 0 458.002 3.826 20 0 JHADRO COCCC(=O)N1CCC([NH2+]Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)CC1 ZINC001308326321 1070357212 /nfs/dbraw/zinc/35/72/12/1070357212.db2.gz CROHMEPLXGPYMH-UHFFFAOYSA-N 1 0 458.912 3.970 20 0 JHADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2cccc(Oc3ccc(F)cc3)c2)cc1 ZINC001308326900 1070357478 /nfs/dbraw/zinc/35/74/78/1070357478.db2.gz BZEIVLJPDLQCEI-UHFFFAOYSA-N 1 0 457.523 3.996 20 0 JHADRO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]CCN(C)S(=O)(=O)c3cccs3)n2c1 ZINC001308336950 1070358878 /nfs/dbraw/zinc/35/88/78/1070358878.db2.gz GRNRTADJUAMCAJ-UHFFFAOYSA-N 1 0 458.584 3.921 20 0 JHADRO O=C(OCc1ccccc1)c1cc(C[NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)c[nH]1 ZINC001308306066 1070354589 /nfs/dbraw/zinc/35/45/89/1070354589.db2.gz UEBXCPXHELFPHR-UHFFFAOYSA-N 1 0 452.986 3.937 20 0 JHADRO CC[NH+](CC)CC[C@H](C)NC(=O)N1CCC[C@H]([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC001313433543 1070358910 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CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001313449613 1070374542 /nfs/dbraw/zinc/37/45/42/1070374542.db2.gz XGQDLDMVZNRCEE-PMACEKPBSA-N 1 0 489.064 3.977 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3OCC(=O)NCC3CC3)C[C@H]2C1 ZINC001308432728 1070374875 /nfs/dbraw/zinc/37/48/75/1070374875.db2.gz NEENRPNQKHOBMT-FDFHNCONSA-N 1 0 457.615 3.717 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC001308412120 1070372031 /nfs/dbraw/zinc/37/20/31/1070372031.db2.gz PJFXWIPNTWTZJQ-KKLQWCBXSA-N 1 0 473.593 3.584 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313448867 1070372378 /nfs/dbraw/zinc/37/23/78/1070372378.db2.gz SKIDQYDDEXANNJ-NRFANRHFSA-N 1 0 469.634 3.519 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001313448860 1070372451 /nfs/dbraw/zinc/37/24/51/1070372451.db2.gz SJYAMKPRGPZOTL-LEWJYISDSA-N 1 0 480.078 3.876 20 0 JHADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC001308418985 1070372925 /nfs/dbraw/zinc/37/29/25/1070372925.db2.gz ZRTVZAAQIUADFF-UHFFFAOYSA-N 1 0 454.434 3.945 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(c2ccc(CNc3cccc(C[N@@H+]4CC[C@H](O)C4)c3)o2)CC1 ZINC001308418416 1070373278 /nfs/dbraw/zinc/37/32/78/1070373278.db2.gz UQUQXVYVHRPGHP-NRFANRHFSA-N 1 0 456.587 3.515 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)C[C@H]1CC ZINC001313449236 1070373746 /nfs/dbraw/zinc/37/37/46/1070373746.db2.gz WHFMNTBLEBHCGN-FCEUIQTBSA-N 1 0 488.702 3.695 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001313449237 1070373775 /nfs/dbraw/zinc/37/37/75/1070373775.db2.gz WHFMNTBLEBHCGN-HJNYFJLDSA-N 1 0 488.702 3.695 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308442860 1070375844 /nfs/dbraw/zinc/37/58/44/1070375844.db2.gz YGDGRDBRTSLDLF-DFQSSKMNSA-N 1 0 478.638 3.776 20 0 JHADRO 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CCC[N@@H+]1CCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313451664 1070379889 /nfs/dbraw/zinc/37/98/89/1070379889.db2.gz AXTZQLHDLSEVPA-DEOSSOPVSA-N 1 0 466.674 3.632 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001313452151 1070381594 /nfs/dbraw/zinc/38/15/94/1070381594.db2.gz DQZDFHGDUDLCKZ-IBGZPJMESA-N 1 0 492.093 3.560 20 0 JHADRO Cn1cc(C[NH2+][C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)c(-c2cc3ccccc3o2)n1 ZINC001308498344 1070381731 /nfs/dbraw/zinc/38/17/31/1070381731.db2.gz TYPIJSPGFACHBF-LJQANCHMSA-N 1 0 452.555 3.646 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001313452579 1070383098 /nfs/dbraw/zinc/38/30/98/1070383098.db2.gz MGGIEOQJTDDJND-FQEVSTJZSA-N 1 0 470.643 3.859 20 0 JHADRO Cn1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c(-c2ccc3c(c2)OCCCO3)n1 ZINC001308536109 1070387177 /nfs/dbraw/zinc/38/71/77/1070387177.db2.gz DQJPBRYLLQGNMA-OAQYLSRUSA-N 1 0 456.587 3.984 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1cnn(C)c1 ZINC001313454066 1070387678 /nfs/dbraw/zinc/38/76/78/1070387678.db2.gz ZQPYJMUXXNTGPL-BHDDXSALSA-N 1 0 457.667 3.831 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc(C)ccc1F ZINC001313453872 1070387745 /nfs/dbraw/zinc/38/77/45/1070387745.db2.gz XOQYWKQGNSVQRP-RRPUWOKSSA-N 1 0 459.610 3.960 20 0 JHADRO CCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001314478296 1070388941 /nfs/dbraw/zinc/38/89/41/1070388941.db2.gz DXWFDWPZWNCKQP-QGZVFWFLSA-N 1 0 450.425 3.912 20 0 JHADRO CC[N@@H+](Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1)C[C@H]1COc2ccccc2O1 ZINC001308570283 1070391507 /nfs/dbraw/zinc/39/15/07/1070391507.db2.gz LTELWXJRTTXUKJ-FQEVSTJZSA-N 1 0 457.571 3.999 20 0 JHADRO COCC[C@@H](C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)NC(=O)OC(C)(C)C ZINC001308571262 1070392862 /nfs/dbraw/zinc/39/28/62/1070392862.db2.gz RSINZAPHSKJIID-QFIPXVFZSA-N 1 0 459.631 3.819 20 0 JHADRO CCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001314481170 1070393359 /nfs/dbraw/zinc/39/33/59/1070393359.db2.gz QAXAKYRGPANQQN-SZPZYZBQSA-N 1 0 454.663 3.539 20 0 JHADRO CCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001314486525 1070398706 /nfs/dbraw/zinc/39/87/06/1070398706.db2.gz NSDZJGYSHIBFPP-VXKWHMMOSA-N 1 0 490.693 3.741 20 0 JHADRO CN(Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001308613703 1070401845 /nfs/dbraw/zinc/40/18/45/1070401845.db2.gz MDXKUGXPBVIATN-UHFFFAOYSA-N 1 0 457.619 3.968 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001313458338 1070402245 /nfs/dbraw/zinc/40/22/45/1070402245.db2.gz BBWKGDMBZLKAAO-HXUWFJFHSA-N 1 0 459.038 3.827 20 0 JHADRO C[NH+](C)CCOc1ccccc1N1CCN(Cc2cc(Br)cnc2Cl)CC1 ZINC001308624293 1070404142 /nfs/dbraw/zinc/40/41/42/1070404142.db2.gz QDLGJDJCECLIMP-UHFFFAOYSA-N 1 0 453.812 3.760 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001313459246 1070405881 /nfs/dbraw/zinc/40/58/81/1070405881.db2.gz GNRUEOMRQLOCSJ-VXKWHMMOSA-N 1 0 468.646 3.571 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)c2cccc(F)c2)C[C@@H]1CC ZINC001314494837 1070410709 /nfs/dbraw/zinc/41/07/09/1070410709.db2.gz BOEHSTIQWRIQNH-QFIPXVFZSA-N 1 0 481.620 3.789 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCC3)nc2)C[C@H]1CC ZINC001314494560 1070410739 /nfs/dbraw/zinc/41/07/39/1070410739.db2.gz SMIKUTQJWKBZGM-HSZRJFAPSA-N 1 0 483.705 3.946 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccn(Cc3ccccc3)n2)C[C@@H]1CC ZINC001314493662 1070408271 /nfs/dbraw/zinc/40/82/71/1070408271.db2.gz KPCZLXUABAKGBX-DEOSSOPVSA-N 1 0 479.673 3.806 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@@H]1CC ZINC001314494131 1070409363 /nfs/dbraw/zinc/40/93/63/1070409363.db2.gz NOIPPJGWWMFFIE-NBGIEHNGSA-N 1 0 461.651 3.630 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)cnn1C ZINC001308668571 1070414073 /nfs/dbraw/zinc/41/40/73/1070414073.db2.gz KJSIUNMBBTYLJG-APTRMMRNSA-N 1 0 455.647 3.522 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001313461117 1070414220 /nfs/dbraw/zinc/41/42/20/1070414220.db2.gz URTBFIQXJHIBIG-NJYVYQBISA-N 1 0 486.636 3.784 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@](C)(O)c2ccsc2)C[C@@H]1CC ZINC001314495595 1070414549 /nfs/dbraw/zinc/41/45/49/1070414549.db2.gz IYBKJNOXBLPELW-DHLKQENFSA-N 1 0 469.655 3.851 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001313461301 1070415770 /nfs/dbraw/zinc/41/57/70/1070415770.db2.gz RBHCBAVOHHGTRR-RBUKOAKNSA-N 1 0 470.643 3.954 20 0 JHADRO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001308681446 1070416538 /nfs/dbraw/zinc/41/65/38/1070416538.db2.gz AELVWKCXEIGRAD-PXNSSMCTSA-N 1 0 454.571 3.858 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3OC)n2CC2(O)CCCCC2)C[C@H]1CC ZINC001314496989 1070418849 /nfs/dbraw/zinc/41/88/49/1070418849.db2.gz VBBCSWYHTPJECG-OAQYLSRUSA-N 1 0 471.646 3.586 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C)cc2OC)C[C@@H]1CC ZINC001314496794 1070418998 /nfs/dbraw/zinc/41/89/98/1070418998.db2.gz URGLWIMAPMYQPM-QHCPKHFHSA-N 1 0 478.641 3.951 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC001308693201 1070420199 /nfs/dbraw/zinc/42/01/99/1070420199.db2.gz ATDUSTWANYEOLA-YKGACUOXSA-N 1 0 450.542 3.864 20 0 JHADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC001308707911 1070422869 /nfs/dbraw/zinc/42/28/69/1070422869.db2.gz REABRVWYRKDXSL-SLFFLAALSA-N 1 0 454.592 3.744 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C3CCC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001313464138 1070428176 /nfs/dbraw/zinc/42/81/76/1070428176.db2.gz RPKYGHCJIJGLPC-XZOQPEGZSA-N 1 0 452.647 3.900 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCCCCC2)C[C@H]1CC ZINC001314498606 1070424720 /nfs/dbraw/zinc/42/47/20/1070424720.db2.gz IWJHNGSDPOHATA-YADHBBJMSA-N 1 0 463.667 3.542 20 0 JHADRO CCOCCN1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314498965 1070426420 /nfs/dbraw/zinc/42/64/20/1070426420.db2.gz HURJGLOPHXJPQY-QHCPKHFHSA-N 1 0 482.717 3.846 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1(C)C ZINC001308727383 1070426577 /nfs/dbraw/zinc/42/65/77/1070426577.db2.gz TWTYPFRYIZLKTE-HZPDHXFCSA-N 1 0 450.523 3.890 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001313463905 1070427531 /nfs/dbraw/zinc/42/75/31/1070427531.db2.gz HSAKMBFIUFTNNL-HXUWFJFHSA-N 1 0 472.703 3.729 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(C)coc2C)C[C@@H]1CC ZINC001314499708 1070427986 /nfs/dbraw/zinc/42/79/86/1070427986.db2.gz MBVXFEFYHLCRNM-NRFANRHFSA-N 1 0 472.659 3.829 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(C)coc2C)C[C@H]1CC ZINC001314499709 1070428114 /nfs/dbraw/zinc/42/81/14/1070428114.db2.gz MBVXFEFYHLCRNM-OAQYLSRUSA-N 1 0 472.659 3.829 20 0 JHADRO Cn1ncc(CNC(=O)OC(C)(C)C)c1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001308745441 1070429223 /nfs/dbraw/zinc/42/92/23/1070429223.db2.gz XDUKYSILLCIAJP-SFHVURJKSA-N 1 0 451.575 3.610 20 0 JHADRO COC(=O)CCC[NH+]1CCC(N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)CC1 ZINC001308740189 1070429277 /nfs/dbraw/zinc/42/92/77/1070429277.db2.gz VEZKMXXHOCJFNT-AWEZNQCLSA-N 1 0 451.365 3.567 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)c2ccccc2F)C[C@H]1CC ZINC001314500504 1070430681 /nfs/dbraw/zinc/43/06/81/1070430681.db2.gz IPIZPJMNOYVWAE-NHCUHLMSSA-N 1 0 473.637 3.836 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2Cc2c(C)noc2C)C[C@@H]1CC ZINC001314500352 1070430735 /nfs/dbraw/zinc/43/07/35/1070430735.db2.gz UJBPEMYXGFVUSX-QHCPKHFHSA-N 1 0 466.630 3.768 20 0 JHADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CCO1 ZINC001308766214 1070433534 /nfs/dbraw/zinc/43/35/34/1070433534.db2.gz QUUVDFUBWSMADV-SJLPKXTDSA-N 1 0 451.380 3.754 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3c[nH]c4ccccc34)n2CCC[N@H+](C)C(C)C)C1 ZINC001313465569 1070434010 /nfs/dbraw/zinc/43/40/10/1070434010.db2.gz ZNITWCJVSYPNOY-FQEVSTJZSA-N 1 0 465.646 3.899 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nc(C(C)C)cs2)C[C@@H]1CC ZINC001314501861 1070434602 /nfs/dbraw/zinc/43/46/02/1070434602.db2.gz SOXSQOGPHIJPQX-UXHICEINSA-N 1 0 476.691 3.737 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001313466771 1070440601 /nfs/dbraw/zinc/44/06/01/1070440601.db2.gz UHOLVRCPHMDDOS-GOTSBHOMSA-N 1 0 484.664 3.871 20 0 JHADRO COC(=O)[C@H]1CN(Cc2cc(F)ccc2Oc2ccc(Br)cc2)CC[N@H+](C)C1 ZINC001308822887 1070443474 /nfs/dbraw/zinc/44/34/74/1070443474.db2.gz MQQBJOGOYDKXNJ-MRXNPFEDSA-N 1 0 451.336 3.917 20 0 JHADRO OC[C@H](C[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)Cc1cc(F)cc(Br)c1 ZINC001308811506 1070442129 /nfs/dbraw/zinc/44/21/29/1070442129.db2.gz PLHRIXKXXWIMGW-INIZCTEOSA-N 1 0 459.363 3.987 20 0 JHADRO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC001308848992 1070448485 /nfs/dbraw/zinc/44/84/85/1070448485.db2.gz KVSWFJFLSKPKFN-UXHICEINSA-N 1 0 454.571 3.975 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001313467729 1070444529 /nfs/dbraw/zinc/44/45/29/1070444529.db2.gz RRKLBMNOKUUPOQ-HSZRJFAPSA-N 1 0 481.689 3.841 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001313468272 1070446775 /nfs/dbraw/zinc/44/67/75/1070446775.db2.gz KVMJRRMDRHLAKI-DHIUTWEWSA-N 1 0 495.716 3.745 20 0 JHADRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]CC1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)CO2 ZINC001308858959 1070449891 /nfs/dbraw/zinc/44/98/91/1070449891.db2.gz IHVRWPFATDXIJZ-HRVKUGKESA-N 1 0 451.608 3.533 20 0 JHADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC001308861645 1070450748 /nfs/dbraw/zinc/45/07/48/1070450748.db2.gz CDPZPBCOWYUQEB-IYJAJMOOSA-N 1 0 456.370 3.621 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(NC(=O)OC(C)(C)C)nn3)C2)ccn1 ZINC001308877763 1070453174 /nfs/dbraw/zinc/45/31/74/1070453174.db2.gz VZVNGTYSFYIDBV-OAQYLSRUSA-N 1 0 456.591 3.712 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC001313470119 1070455779 /nfs/dbraw/zinc/45/57/79/1070455779.db2.gz ZHILNVQBLUZVKR-UHFFFAOYSA-N 1 0 488.721 3.601 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]C[C@H]3COCCN3C(=O)OC(C)(C)C)CC[C@H]21 ZINC001308895339 1070455907 /nfs/dbraw/zinc/45/59/07/1070455907.db2.gz OKENSRYTSOKTHH-YSTOQKLRSA-N 1 0 453.624 3.780 20 0 JHADRO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1 ZINC001308925788 1070460444 /nfs/dbraw/zinc/46/04/44/1070460444.db2.gz JLODRMFAXUAKGX-WQMHRJNTSA-N 1 0 456.608 3.943 20 0 JHADRO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001308906963 1070457706 /nfs/dbraw/zinc/45/77/06/1070457706.db2.gz HSQGTSXGJVBBNS-SJORKVTESA-N 1 0 452.555 3.635 20 0 JHADRO C[C@H]1CN(c2ccccc2C[N@@H+]2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001308952566 1070465454 /nfs/dbraw/zinc/46/54/54/1070465454.db2.gz AZGFHITZJVLYCI-NBPOQWHHSA-N 1 0 459.631 3.950 20 0 JHADRO COCC[C@H](C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)NC(=O)OC(C)(C)C ZINC001308961158 1070466176 /nfs/dbraw/zinc/46/61/76/1070466176.db2.gz RBAGLWSVBCUWCL-WIYYLYMNSA-N 1 0 457.409 3.662 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001314509489 1070462791 /nfs/dbraw/zinc/46/27/91/1070462791.db2.gz DWQHWDUCKYOEGI-JOCHJYFZSA-N 1 0 481.707 3.578 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCCCc2ccccc21 ZINC001308961511 1070466776 /nfs/dbraw/zinc/46/67/76/1070466776.db2.gz WHEXBQQFZPBERZ-QNWVGRARSA-N 1 0 457.615 3.750 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(C[C@@H](C[NH2+][C@H]3CCCN(Cc4ccccc4)C3)OC2=O)CC1 ZINC001308946298 1070464418 /nfs/dbraw/zinc/46/44/18/1070464418.db2.gz MHMSAKOCSNFDEX-VXKWHMMOSA-N 1 0 457.615 3.573 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001314511129 1070468458 /nfs/dbraw/zinc/46/84/58/1070468458.db2.gz JCEYXIFCJYLHJI-FQEVSTJZSA-N 1 0 493.743 3.989 20 0 JHADRO Cn1c(C[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)cc(=O)n1-c1ccccc1 ZINC001308967033 1070468562 /nfs/dbraw/zinc/46/85/62/1070468562.db2.gz INUHPGJTOMOXCI-KNQAVFIVSA-N 1 0 455.400 3.864 20 0 JHADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)cnn1C ZINC001308975080 1070469557 /nfs/dbraw/zinc/46/95/57/1070469557.db2.gz YVBSKZVBJYKSAF-IBGZPJMESA-N 1 0 452.603 3.934 20 0 JHADRO CC(C)(C)OC(=O)CN(C[C@@H]1CCC[N@H+](Cc2cnc3cnccn23)C1)C(=O)OC(C)(C)C ZINC001308985479 1070470902 /nfs/dbraw/zinc/47/09/02/1070470902.db2.gz BUFAPIIBCVUMJZ-GOSISDBHSA-N 1 0 459.591 3.520 20 0 JHADRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)cc1 ZINC001309021882 1070489022 /nfs/dbraw/zinc/48/90/22/1070489022.db2.gz UBYSIVCUKIIPNU-UHFFFAOYSA-N 1 0 458.502 3.812 20 0 JHADRO CCCNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001313478636 1070489523 /nfs/dbraw/zinc/48/95/23/1070489523.db2.gz KFQYKXRADMQHBK-UHFFFAOYSA-N 1 0 468.646 3.572 20 0 JHADRO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1ccc(Br)cc1F)Cc1ccccc1 ZINC001309032366 1070496931 /nfs/dbraw/zinc/49/69/31/1070496931.db2.gz QOQGTQRYAQXBGX-IBGZPJMESA-N 1 0 457.409 3.961 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC[N@H+](C)C1CCCCC1 ZINC001314522128 1070509449 /nfs/dbraw/zinc/50/94/49/1070509449.db2.gz DYRGYLHKDLZSOS-UHFFFAOYSA-N 1 0 468.067 3.734 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2)C1 ZINC001309064906 1070518009 /nfs/dbraw/zinc/51/80/09/1070518009.db2.gz ZPZDCCQMVWBDHQ-NHCUHLMSSA-N 1 0 452.624 3.888 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3ncccc3Br)cc2)C1 ZINC001309063067 1070516300 /nfs/dbraw/zinc/51/63/00/1070516300.db2.gz FGCDQZJMFJAAID-HZPDHXFCSA-N 1 0 452.418 3.801 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001313501404 1070525269 /nfs/dbraw/zinc/52/52/69/1070525269.db2.gz DXJGDOBRSIANMY-LEWJYISDSA-N 1 0 498.672 3.530 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2Cc2cc(C)nn2C)cc1OC ZINC001313501743 1070526029 /nfs/dbraw/zinc/52/60/29/1070526029.db2.gz HGSCBMMIYSKFQA-PMACEKPBSA-N 1 0 481.645 3.752 20 0 JHADRO C[C@@H]1Cc2cccc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccc(Br)cc3)c2O1 ZINC001309091037 1070534227 /nfs/dbraw/zinc/53/42/27/1070534227.db2.gz PWRCPBIQQGGYTM-OAHLLOKOSA-N 1 0 453.402 3.525 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC001313504602 1070539408 /nfs/dbraw/zinc/53/94/08/1070539408.db2.gz NNTSAIXOAIIBOH-IERDGZPVSA-N 1 0 497.562 3.993 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC001313505135 1070541458 /nfs/dbraw/zinc/54/14/58/1070541458.db2.gz YNQVTMNRXFWOQN-HKBOAZHASA-N 1 0 471.646 3.946 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(=O)NC2CCCCC2)cc1OC ZINC001313506414 1070548303 /nfs/dbraw/zinc/54/83/03/1070548303.db2.gz QBHJBAASZXTALF-UHFFFAOYSA-N 1 0 498.672 3.722 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CC2([NH+](C)C)CCCC2)cc1OC ZINC001313506962 1070551026 /nfs/dbraw/zinc/55/10/26/1070551026.db2.gz VQLAESDWGNTTOS-HXUWFJFHSA-N 1 0 498.672 3.674 20 0 JHADRO CC[S@@](=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001314559820 1070561221 /nfs/dbraw/zinc/56/12/21/1070561221.db2.gz OMTBNDYQIYWSJZ-DUTUXMCTSA-N 1 0 477.650 3.781 20 0 JHADRO CC[S@@](=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001314560753 1070562486 /nfs/dbraw/zinc/56/24/86/1070562486.db2.gz UUWUJGMORAGNPC-HYHKQLJDSA-N 1 0 480.078 3.905 20 0 JHADRO CCCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cn1 ZINC001313512772 1070564996 /nfs/dbraw/zinc/56/49/96/1070564996.db2.gz TWOPZSLBEURNRF-UHFFFAOYSA-N 1 0 480.661 3.682 20 0 JHADRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 ZINC001309152017 1070570959 /nfs/dbraw/zinc/57/09/59/1070570959.db2.gz NYEMBLRDGBSSDZ-GOSISDBHSA-N 1 0 452.580 3.742 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCOCC3)n2CCC[NH+]2CCC(C)CC2)cc1OC ZINC001313515312 1070573570 /nfs/dbraw/zinc/57/35/70/1070573570.db2.gz WRZKJWMEQNPMHN-UHFFFAOYSA-N 1 0 457.619 3.701 20 0 JHADRO COC(=O)c1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1C ZINC001309163934 1070580176 /nfs/dbraw/zinc/58/01/76/1070580176.db2.gz PZVXGOFZKGCNKM-UHFFFAOYSA-N 1 0 450.988 3.626 20 0 JHADRO CC[S@](=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001314577552 1070587213 /nfs/dbraw/zinc/58/72/13/1070587213.db2.gz JTTUSPIREQMRDT-JAQCPCKZSA-N 1 0 473.687 3.635 20 0 JHADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)C1 ZINC001309182359 1070589453 /nfs/dbraw/zinc/58/94/53/1070589453.db2.gz MWXLCZKMGRKGPU-AWEZNQCLSA-N 1 0 450.523 3.671 20 0 JHADRO CCCOc1ncccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313521761 1070589506 /nfs/dbraw/zinc/58/95/06/1070589506.db2.gz OPXJXSGINZGFIK-UHFFFAOYSA-N 1 0 494.688 3.930 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(-c3cccnc3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001314581843 1070594168 /nfs/dbraw/zinc/59/41/68/1070594168.db2.gz ISAROSLLIGSKPB-IAGOWNOFSA-N 1 0 456.620 3.658 20 0 JHADRO CC[S@](=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001314579628 1070590222 /nfs/dbraw/zinc/59/02/22/1070590222.db2.gz PEKSYBZMAXYNGP-PMERELPUSA-N 1 0 470.108 3.959 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[NH+]2CCCC2)CC1 ZINC001313524925 1070597159 /nfs/dbraw/zinc/59/71/59/1070597159.db2.gz HBJRQBIAPPWTHR-OAQYLSRUSA-N 1 0 457.619 3.844 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CC[N@H+](CC)C2)n1 ZINC001314583043 1070597780 /nfs/dbraw/zinc/59/77/80/1070597780.db2.gz OENBFZUUPAMONW-DLBZAZTESA-N 1 0 456.620 3.515 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(C3CCC3)n2CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC001314585002 1070604018 /nfs/dbraw/zinc/60/40/18/1070604018.db2.gz WEXDNZQEVRPTCG-QGZVFWFLSA-N 1 0 477.679 3.614 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001313526183 1070600569 /nfs/dbraw/zinc/60/05/69/1070600569.db2.gz NVKLUAXUPPHQSE-VXKWHMMOSA-N 1 0 462.683 3.712 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001313528548 1070607505 /nfs/dbraw/zinc/60/75/05/1070607505.db2.gz PROAFJDYTVQFJI-NRFANRHFSA-N 1 0 471.646 3.850 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@@H](O)c2ccccc2C)cc1 ZINC001309209846 1070609649 /nfs/dbraw/zinc/60/96/49/1070609649.db2.gz GNTYJZIEEINHFX-OYUWMTPXSA-N 1 0 464.631 3.924 20 0 JHADRO O=S(=O)(CCc1ccccc1Cl)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001309213295 1070611594 /nfs/dbraw/zinc/61/15/94/1070611594.db2.gz DWTWYQIOCBYYPZ-UHFFFAOYSA-N 1 0 457.423 3.999 20 0 JHADRO CCSc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001314588008 1070612303 /nfs/dbraw/zinc/61/23/03/1070612303.db2.gz AGIRQLCBCHKFGX-OAQYLSRUSA-N 1 0 470.687 3.948 20 0 JHADRO COc1c(C)cc(C)cc1S(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001309214104 1070613029 /nfs/dbraw/zinc/61/30/29/1070613029.db2.gz PNXRJAAPQPGSRS-UHFFFAOYSA-N 1 0 453.004 3.787 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001314588895 1070614103 /nfs/dbraw/zinc/61/41/03/1070614103.db2.gz NFQBTHUITDWFMV-FCHUYYIVSA-N 1 0 488.677 3.896 20 0 JHADRO CCCOCc1ccccc1Cn1c(C)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001313531826 1070616120 /nfs/dbraw/zinc/61/61/20/1070616120.db2.gz PNCLXNSCYPPKHA-UHFFFAOYSA-N 1 0 454.663 3.556 20 0 JHADRO CCS[C@H]1CC[C@H](N(C)c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001314589260 1070615502 /nfs/dbraw/zinc/61/55/02/1070615502.db2.gz PSRZJXZOVJLBGP-VXKWHMMOSA-N 1 0 470.687 3.734 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001314590429 1070619200 /nfs/dbraw/zinc/61/92/00/1070619200.db2.gz XVBGPLNSWJYEOW-ZCNNSNEGSA-N 1 0 474.675 3.957 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314592235 1070624673 /nfs/dbraw/zinc/62/46/73/1070624673.db2.gz CTHALAAYDRMYNJ-CLAROIROSA-N 1 0 465.708 3.639 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001314593795 1070629641 /nfs/dbraw/zinc/62/96/41/1070629641.db2.gz GZBMAJFDNCQKLI-STZQEDGTSA-N 1 0 491.775 3.770 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(C3CCCC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001314595558 1070635860 /nfs/dbraw/zinc/63/58/60/1070635860.db2.gz NUJRNGPLKYNPPK-VSKRKVRLSA-N 1 0 476.735 3.989 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001314599951 1070648558 /nfs/dbraw/zinc/64/85/58/1070648558.db2.gz ONWDMQPYFPYUFO-TZIWHRDSSA-N 1 0 475.707 3.678 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001313545186 1070648645 /nfs/dbraw/zinc/64/86/45/1070648645.db2.gz DUUFTGZOWVJENR-HXUWFJFHSA-N 1 0 498.676 3.835 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314602394 1070655829 /nfs/dbraw/zinc/65/58/29/1070655829.db2.gz WIJXSIDSBUFCGK-RJGXRXQPSA-N 1 0 489.734 3.607 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314601847 1070653467 /nfs/dbraw/zinc/65/34/67/1070653467.db2.gz VNQBWLKUWOSLNO-VNTMZGSJSA-N 1 0 462.708 3.850 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2CCC2CC[NH+](CC)CC2)C1 ZINC001314601984 1070654244 /nfs/dbraw/zinc/65/42/44/1070654244.db2.gz UMBYPJWFGRKXAJ-FQEVSTJZSA-N 1 0 450.697 3.650 20 0 JHADRO CCS[C@H]1CC[C@H](N(C)c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314603151 1070657105 /nfs/dbraw/zinc/65/71/05/1070657105.db2.gz ZKBAQHAGCWNFFC-OALUTQOASA-N 1 0 497.713 3.890 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C(=O)OC(C)C ZINC001309283815 1070668430 /nfs/dbraw/zinc/66/84/30/1070668430.db2.gz WCJLOUOUZUKEJD-GZOXUSKESA-N 1 0 458.624 3.995 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001314606693 1070664550 /nfs/dbraw/zinc/66/45/50/1070664550.db2.gz GVXMXOLQAKJSCE-LEWJYISDSA-N 1 0 462.708 3.633 20 0 JHADRO CCN(C)C(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001313555541 1070672352 /nfs/dbraw/zinc/67/23/52/1070672352.db2.gz FWSCBAWUMCAXLE-JOCHJYFZSA-N 1 0 487.092 3.949 20 0 JHADRO CCN(C)C(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001313558953 1070677191 /nfs/dbraw/zinc/67/71/91/1070677191.db2.gz YJZNPINSMAOZSC-OAQYLSRUSA-N 1 0 486.636 3.567 20 0 JHADRO CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001313562318 1070679804 /nfs/dbraw/zinc/67/98/04/1070679804.db2.gz UQYRDPKSJRLZSW-UHFFFAOYSA-N 1 0 477.078 3.679 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC001313573319 1070687541 /nfs/dbraw/zinc/68/75/41/1070687541.db2.gz FDAXGBTWWUGZMY-GHTZIAJQSA-N 1 0 480.579 3.702 20 0 JHADRO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[NH+]1CCCCC1)[C@H](C)C1CCC1 ZINC001313582490 1070704103 /nfs/dbraw/zinc/70/41/03/1070704103.db2.gz QBLKJQKWENEPNN-HXUWFJFHSA-N 1 0 488.702 3.696 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccn3)n2CC[NH+]2CCCCCC2)C1 ZINC001314624173 1070708623 /nfs/dbraw/zinc/70/86/23/1070708623.db2.gz NWWBSJXPKNPTCT-FQEVSTJZSA-N 1 0 469.634 3.662 20 0 JHADRO CCOCCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001309341905 1070710656 /nfs/dbraw/zinc/71/06/56/1070710656.db2.gz ICEFBJPYFGQTJL-FTBPSBKWSA-N 1 0 458.624 3.681 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCC(c2nccs2)CC1 ZINC001314627578 1070721149 /nfs/dbraw/zinc/72/11/49/1070721149.db2.gz AMRACYVKISCHDC-HXUWFJFHSA-N 1 0 487.718 3.650 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N2CC[C@@H](COCc3ccccc3)C2)nnc1C(C)(C)C ZINC001314628191 1070723280 /nfs/dbraw/zinc/72/32/80/1070723280.db2.gz GVJRJNNAZHBWKB-RPWUZVMVSA-N 1 0 496.700 3.561 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(C2CCCC2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001314630338 1070730483 /nfs/dbraw/zinc/73/04/83/1070730483.db2.gz XQWWSYHSQIKDGZ-FCHUYYIVSA-N 1 0 474.694 3.662 20 0 JHADRO CN(C)C(=O)C1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC001314628867 1070725521 /nfs/dbraw/zinc/72/55/21/1070725521.db2.gz SRUIAQPYKONBPT-UHFFFAOYSA-N 1 0 458.695 3.970 20 0 JHADRO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CCCCC1 ZINC001313603068 1070726502 /nfs/dbraw/zinc/72/65/02/1070726502.db2.gz FABSGFVSNZVBFQ-YOSAUDMPSA-N 1 0 465.708 3.850 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(C2CCCC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001314630339 1070730733 /nfs/dbraw/zinc/73/07/33/1070730733.db2.gz XQWWSYHSQIKDGZ-FGZHOGPDSA-N 1 0 474.694 3.662 20 0 JHADRO CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC001313603806 1070727090 /nfs/dbraw/zinc/72/70/90/1070727090.db2.gz UZZXFUWZAQFQND-FGZHOGPDSA-N 1 0 492.709 3.984 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N(C)[C@@H]2CCc3ccccc32)nnc1C(C)(C)C ZINC001314629422 1070727252 /nfs/dbraw/zinc/72/72/52/1070727252.db2.gz PDFNGTDOWWWWSB-YADHBBJMSA-N 1 0 452.647 3.642 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N(Cc2ccccc2)C[C@@H]2CCCO2)nnc1C(C)(C)C ZINC001314630024 1070729493 /nfs/dbraw/zinc/72/94/93/1070729493.db2.gz VBHPNKRENNUKEB-ZEQRLZLVSA-N 1 0 496.700 3.704 20 0 JHADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(Br)c(C(F)(F)F)c3)C2)CC1 ZINC001309375009 1070732114 /nfs/dbraw/zinc/73/21/14/1070732114.db2.gz BEQOICALNOKNFJ-CYBMUJFWSA-N 1 0 455.340 3.820 20 0 JHADRO CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccco1)[NH+](C)C)C1CC1 ZINC001313621463 1070748763 /nfs/dbraw/zinc/74/87/63/1070748763.db2.gz LQVYZQSQFNBIPQ-ZIFCJYIRSA-N 1 0 458.607 3.933 20 0 JHADRO CCN(c1nnc(Cn2nc(C)cc2C)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H](C)C1CCC1 ZINC001313617605 1070741568 /nfs/dbraw/zinc/74/15/68/1070741568.db2.gz NOYQHBGTIFGYRF-FKBYEOEOSA-N 1 0 457.667 3.654 20 0 JHADRO C[C@@H]1C[C@@H](CCNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CCO1 ZINC001309395462 1070744787 /nfs/dbraw/zinc/74/47/87/1070744787.db2.gz TXRKHQARAKFQLD-CYMHYUIHSA-N 1 0 460.615 3.918 20 0 JHADRO CN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CCSC1 ZINC001314647261 1070749538 /nfs/dbraw/zinc/74/95/38/1070749538.db2.gz OZFATFQPAPUQES-WBVHZDCISA-N 1 0 479.448 3.884 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccsc1 ZINC001314647902 1070751308 /nfs/dbraw/zinc/75/13/08/1070751308.db2.gz FZBUNFZHWLYASI-WIYYLYMNSA-N 1 0 466.655 3.919 20 0 JHADRO CN(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1c(F)cccc1F ZINC001314648222 1070751780 /nfs/dbraw/zinc/75/17/80/1070751780.db2.gz FFPPNPFOHXCZLP-FQEVSTJZSA-N 1 0 457.573 3.775 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC001314648909 1070753586 /nfs/dbraw/zinc/75/35/86/1070753586.db2.gz QABONEICDDRICX-PXNSSMCTSA-N 1 0 488.080 3.712 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2cccn2C)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001313625379 1070754670 /nfs/dbraw/zinc/75/46/70/1070754670.db2.gz RPXKAGJZWRJCCA-UHFFFAOYSA-N 1 0 450.631 3.771 20 0 JHADRO Cn1cc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cn1 ZINC001314649176 1070754687 /nfs/dbraw/zinc/75/46/87/1070754687.db2.gz LHYRAPVSBWUXTR-MBSDFSHPSA-N 1 0 457.648 3.684 20 0 JHADRO CCN(CC(C)C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001313627909 1070758423 /nfs/dbraw/zinc/75/84/23/1070758423.db2.gz VVHJWCNDWUIHJL-UHFFFAOYSA-N 1 0 462.602 3.719 20 0 JHADRO CN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1cccc(F)c1)[NH+](C)C)C1CC1 ZINC001314649429 1070756148 /nfs/dbraw/zinc/75/61/48/1070756148.db2.gz BDTJVCPTAXSHTR-SFTDATJTSA-N 1 0 488.608 3.627 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001313627410 1070757308 /nfs/dbraw/zinc/75/73/08/1070757308.db2.gz WARQDFUAKPAPRB-FQEVSTJZSA-N 1 0 465.631 3.768 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001313627411 1070757405 /nfs/dbraw/zinc/75/74/05/1070757405.db2.gz WARQDFUAKPAPRB-HXUWFJFHSA-N 1 0 465.631 3.768 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCC(CO)CC1)c1ccco1 ZINC001314650321 1070758844 /nfs/dbraw/zinc/75/88/44/1070758844.db2.gz ZUZGAASYZHVSDA-LJQANCHMSA-N 1 0 474.403 3.812 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1cccs1 ZINC001314650711 1070759552 /nfs/dbraw/zinc/75/95/52/1070759552.db2.gz LLMVBRHZZFOPOP-SLFFLAALSA-N 1 0 488.702 3.525 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCC2=O)CC1)c1ccccc1 ZINC001314650938 1070760033 /nfs/dbraw/zinc/76/00/33/1070760033.db2.gz NLRMBMPJWGRGDI-JOCHJYFZSA-N 1 0 452.647 3.761 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC(CCC(N)=O)CC1)C1CCCCC1 ZINC001314653718 1070766702 /nfs/dbraw/zinc/76/67/02/1070766702.db2.gz DVSCWDWPGBMTEA-QFIPXVFZSA-N 1 0 472.703 3.923 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CCCC1 ZINC001314653952 1070767262 /nfs/dbraw/zinc/76/72/62/1070767262.db2.gz SEIZUZPQKXVPHE-FQEVSTJZSA-N 1 0 452.647 3.819 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC001314652126 1070762617 /nfs/dbraw/zinc/76/26/17/1070762617.db2.gz DIVPXDNRDWPZGX-QPPBQGQZSA-N 1 0 496.700 3.977 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001314652634 1070763515 /nfs/dbraw/zinc/76/35/15/1070763515.db2.gz ACEWBZVCFMZCAC-HSZRJFAPSA-N 1 0 491.640 3.624 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)CCOCC1 ZINC001314654080 1070767855 /nfs/dbraw/zinc/76/78/55/1070767855.db2.gz VLKNTMOVZDMGBK-UHFFFAOYSA-N 1 0 455.500 3.974 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1)c1cccc(F)c1 ZINC001314654811 1070770045 /nfs/dbraw/zinc/77/00/45/1070770045.db2.gz HZLXLICIIKWSJR-FCHUYYIVSA-N 1 0 470.637 3.900 20 0 JHADRO Cn1cc(Nc2nnc(-c3cc(Br)cn3C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)cn1 ZINC001314654844 1070770109 /nfs/dbraw/zinc/77/01/09/1070770109.db2.gz XAQHIOCKZIMGBY-LJQANCHMSA-N 1 0 487.381 3.965 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC2CC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC001314655377 1070772164 /nfs/dbraw/zinc/77/21/64/1070772164.db2.gz POSYHBWLZATCDM-QUCCMNQESA-N 1 0 474.675 3.946 20 0 JHADRO C[NH+](C)C1(Cn2c(C3CCCC3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)CCCC1 ZINC001314657282 1070776169 /nfs/dbraw/zinc/77/61/69/1070776169.db2.gz WBCHOFPPKVEJEL-UHFFFAOYSA-N 1 0 470.584 3.705 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313636433 1070772809 /nfs/dbraw/zinc/77/28/09/1070772809.db2.gz MDKFTAXNBCTBST-WMTXJRDZSA-N 1 0 488.721 3.767 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 ZINC001314656129 1070774390 /nfs/dbraw/zinc/77/43/90/1070774390.db2.gz PQHKEEXODFWUHH-NRFANRHFSA-N 1 0 484.599 3.564 20 0 JHADRO C[NH+](C)C1(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCCCC1 ZINC001314657777 1070777408 /nfs/dbraw/zinc/77/74/08/1070777408.db2.gz FWJQYHRFQRIGLY-HSZRJFAPSA-N 1 0 466.674 3.810 20 0 JHADRO C[NH+](C)C1(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)Cc3ccccc3F)CC2)CCCC1 ZINC001314658920 1070780525 /nfs/dbraw/zinc/78/05/25/1070780525.db2.gz ILUVQPAUNWAWGO-UHFFFAOYSA-N 1 0 484.664 3.772 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3F)CC2)CCSC1 ZINC001314660175 1070783372 /nfs/dbraw/zinc/78/33/72/1070783372.db2.gz SCBGDJQQHJSXII-DEOSSOPVSA-N 1 0 460.667 3.770 20 0 JHADRO CN(C)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001314662248 1070788888 /nfs/dbraw/zinc/78/88/88/1070788888.db2.gz HVBNBHYVDFDQHV-JOCHJYFZSA-N 1 0 454.663 3.845 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001314663357 1070791810 /nfs/dbraw/zinc/79/18/10/1070791810.db2.gz SBLUBRYSPJTQBI-UHFFFAOYSA-N 1 0 468.646 3.909 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001314663342 1070791944 /nfs/dbraw/zinc/79/19/44/1070791944.db2.gz RQUMXTAJEVOKTL-VWLOTQADSA-N 1 0 491.702 3.578 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001314663708 1070792957 /nfs/dbraw/zinc/79/29/57/1070792957.db2.gz YEBVOBOZFLCKCJ-SFHVURJKSA-N 1 0 490.096 3.960 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001314665420 1070797233 /nfs/dbraw/zinc/79/72/33/1070797233.db2.gz BKADDCLYWOMDDX-HHHXNRCGSA-N 1 0 498.672 3.773 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001314665637 1070797918 /nfs/dbraw/zinc/79/79/18/1070797918.db2.gz GUENDGJKBHMVIJ-QZTJIDSGSA-N 1 0 498.411 3.866 20 0 JHADRO CN(C[C@H]1COc2ccccc2O1)c1nnc(Cc2ccsc2)n1CC(C)(C)C[NH+](C)C ZINC001314666060 1070798314 /nfs/dbraw/zinc/79/83/14/1070798314.db2.gz QNPWFNNMVZMXFR-IBGZPJMESA-N 1 0 455.628 3.794 20 0 JHADRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001309483685 1070799025 /nfs/dbraw/zinc/79/90/25/1070799025.db2.gz JAAVAKUSJWRPES-SFHVURJKSA-N 1 0 454.423 3.574 20 0 JHADRO Cn1cc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2ccc(OCCC[NH+](C)C)cc2)cn1 ZINC001314667499 1070801802 /nfs/dbraw/zinc/80/18/02/1070801802.db2.gz MVPJRFPNBPNJGD-MHZLTWQESA-N 1 0 495.672 3.699 20 0 JHADRO CN(Cc1cc(Br)cs1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)C[NH+](C)C ZINC001314667464 1070801635 /nfs/dbraw/zinc/80/16/35/1070801635.db2.gz IMTIFMCTYOYLRE-CQSZACIVSA-N 1 0 456.454 3.830 20 0 JHADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313645756 1070803416 /nfs/dbraw/zinc/80/34/16/1070803416.db2.gz OMVNOUCQCXOKGF-QHCPKHFHSA-N 1 0 489.753 3.512 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001314669769 1070809086 /nfs/dbraw/zinc/80/90/86/1070809086.db2.gz KVKNBCOCBRVVKA-UHFFFAOYSA-N 1 0 492.716 3.886 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC001314668701 1070805388 /nfs/dbraw/zinc/80/53/88/1070805388.db2.gz LRPULACLMRROPC-UHFFFAOYSA-N 1 0 496.700 3.694 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001314669063 1070806573 /nfs/dbraw/zinc/80/65/73/1070806573.db2.gz VJFJQSHOMQQUPS-UHFFFAOYSA-N 1 0 479.629 3.508 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(Cc3ccsc3)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001314669478 1070808568 /nfs/dbraw/zinc/80/85/68/1070808568.db2.gz HKDHZXYTZAOXHL-NRFANRHFSA-N 1 0 456.704 3.997 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC(C)(C)C2)cc1 ZINC001314670058 1070810167 /nfs/dbraw/zinc/81/01/67/1070810167.db2.gz AJEWCRIDAGNYHA-UHFFFAOYSA-N 1 0 477.613 3.541 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001314670318 1070810979 /nfs/dbraw/zinc/81/09/79/1070810979.db2.gz JSLFBRPKGMLDRX-HXUWFJFHSA-N 1 0 492.462 3.539 20 0 JHADRO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc([C@H]2CCCO2)n1CCOCC[NH+](C)C ZINC001314670552 1070811914 /nfs/dbraw/zinc/81/19/14/1070811914.db2.gz CFKMOEULJVNKNE-GOSISDBHSA-N 1 0 459.488 3.502 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(N3CC[C@H]4OCCC[C@H]4C3)nnc2C(C)(C)C)cc1 ZINC001314671128 1070813927 /nfs/dbraw/zinc/81/39/27/1070813927.db2.gz KZDBJUQZGAVBJF-JTHBVZDNSA-N 1 0 455.647 3.764 20 0 JHADRO CN(C[C@@H]1CCOC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001314672003 1070816500 /nfs/dbraw/zinc/81/65/00/1070816500.db2.gz OLNQZGHMPSJHSB-QPTUXGOLSA-N 1 0 485.673 3.658 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CC[C@H](C(C)(C)C)C2)cc1 ZINC001314672095 1070816970 /nfs/dbraw/zinc/81/69/70/1070816970.db2.gz POMRNYSMUWNXIA-YADHBBJMSA-N 1 0 455.647 3.838 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001314672592 1070817175 /nfs/dbraw/zinc/81/71/75/1070817175.db2.gz UOLPAYYAVRTBIX-VWLOTQADSA-N 1 0 482.717 3.588 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CCNC(=O)C(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314676426 1070820911 /nfs/dbraw/zinc/82/09/11/1070820911.db2.gz GTEOURVIDQEWLM-UHFFFAOYSA-N 1 0 454.663 3.839 20 0 JHADRO CN(c1nnc(-c2cc(F)ccc2Br)n1CCCC[NH+]1CCOCC1)C1CC1 ZINC001314679201 1070827839 /nfs/dbraw/zinc/82/78/39/1070827839.db2.gz PVZYQSQLJYIUCL-UHFFFAOYSA-N 1 0 452.372 3.558 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001313650720 1070823668 /nfs/dbraw/zinc/82/36/68/1070823668.db2.gz QFXYHODAJLXZCR-UHFFFAOYSA-N 1 0 490.096 3.694 20 0 JHADRO CC1(CS(=O)(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC001309523147 1070825619 /nfs/dbraw/zinc/82/56/19/1070825619.db2.gz BULQWRMNBMIPCW-DEOSSOPVSA-N 1 0 457.640 3.695 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC001313651743 1070827388 /nfs/dbraw/zinc/82/73/88/1070827388.db2.gz KJHIMFALAYFEIG-GMAHTHKFSA-N 1 0 491.640 3.930 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001313651812 1070827470 /nfs/dbraw/zinc/82/74/70/1070827470.db2.gz AAMFRJLJTJCGAS-OAQYLSRUSA-N 1 0 482.633 3.533 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001313652230 1070828903 /nfs/dbraw/zinc/82/89/03/1070828903.db2.gz QVCNBGGNIFYBQI-WIYYLYMNSA-N 1 0 491.080 3.843 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001313654397 1070837600 /nfs/dbraw/zinc/83/76/00/1070837600.db2.gz KQENVKNPJFZMDQ-FQEVSTJZSA-N 1 0 488.080 3.914 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001313655545 1070845267 /nfs/dbraw/zinc/84/52/67/1070845267.db2.gz ZOWSQWRMEJLPPE-FQEVSTJZSA-N 1 0 471.650 3.551 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313654508 1070839271 /nfs/dbraw/zinc/83/92/71/1070839271.db2.gz PQNGXDCIIZKZNG-OYRHEFFESA-N 1 0 475.726 3.916 20 0 JHADRO CN(c1nnc(C2CCCC2)n1CC(=O)NCC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314690185 1070849818 /nfs/dbraw/zinc/84/98/18/1070849818.db2.gz TXEZDFBFKRHKRK-UHFFFAOYSA-N 1 0 478.563 3.715 20 0 JHADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001309550629 1070850028 /nfs/dbraw/zinc/85/00/28/1070850028.db2.gz SMVGOTBRZZPXBN-UHFFFAOYSA-N 1 0 451.898 3.563 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001313656646 1070850997 /nfs/dbraw/zinc/85/09/97/1070850997.db2.gz DTJPLWZOEHAAHG-VIZSFHNOSA-N 1 0 466.674 3.935 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313656999 1070853594 /nfs/dbraw/zinc/85/35/94/1070853594.db2.gz NIILFBGPUVQTDY-HMXCVIKNSA-N 1 0 457.619 3.765 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001313657001 1070854122 /nfs/dbraw/zinc/85/41/22/1070854122.db2.gz NKQIHGCXECMHKP-FQEVSTJZSA-N 1 0 481.620 3.935 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC=C(COC)CC1 ZINC001313657169 1070854583 /nfs/dbraw/zinc/85/45/83/1070854583.db2.gz OSGDACNRNRLNQP-INIZCTEOSA-N 1 0 465.440 3.559 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313657739 1070857169 /nfs/dbraw/zinc/85/71/69/1070857169.db2.gz UDXLECIAIYPTEP-QZTJIDSGSA-N 1 0 498.594 3.765 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001313658421 1070858816 /nfs/dbraw/zinc/85/88/16/1070858816.db2.gz DNQBQLLHSRCRQO-IBGZPJMESA-N 1 0 464.614 3.693 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313659350 1070863250 /nfs/dbraw/zinc/86/32/50/1070863250.db2.gz IZTIYYFMVZZXCD-SJORKVTESA-N 1 0 456.532 3.887 20 0 JHADRO CN(c1nnc([C@H]2CCCO2)n1CCNC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314700296 1070865513 /nfs/dbraw/zinc/86/55/13/1070865513.db2.gz MYGCJWHMHRMHGG-JOCHJYFZSA-N 1 0 484.645 3.755 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001313660677 1070866453 /nfs/dbraw/zinc/86/64/53/1070866453.db2.gz SMPBERSCRASICG-OALUTQOASA-N 1 0 451.623 3.524 20 0 JHADRO CCN(C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)[NH+](CC)CC)CC1)S(C)(=O)=O ZINC001313660914 1070866878 /nfs/dbraw/zinc/86/68/78/1070866878.db2.gz UVUNHVNBEPLEQN-GOSISDBHSA-N 1 0 497.109 3.579 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(CC)(CC)C1 ZINC001313661157 1070867480 /nfs/dbraw/zinc/86/74/80/1070867480.db2.gz DDEJZERFEKAHBV-IBGZPJMESA-N 1 0 465.646 3.939 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313661859 1070869378 /nfs/dbraw/zinc/86/93/78/1070869378.db2.gz JRMNTFIAJRXPID-QFUCXCTJSA-N 1 0 471.650 3.728 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001313662154 1070870039 /nfs/dbraw/zinc/87/00/39/1070870039.db2.gz OTUAXCPAEKTZDK-WOJBJXKFSA-N 1 0 475.707 3.841 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)OC(C)(C)C1)c1ccccc1 ZINC001313663502 1070872162 /nfs/dbraw/zinc/87/21/62/1070872162.db2.gz DUFZFULMMLHOKQ-NRFANRHFSA-N 1 0 470.662 3.893 20 0 JHADRO CN(c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCCC(F)(F)F)C1CCC1 ZINC001314703052 1070870929 /nfs/dbraw/zinc/87/09/29/1070870929.db2.gz TXTMLNMIXNBXAE-UHFFFAOYSA-N 1 0 450.553 3.974 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001313662564 1070871003 /nfs/dbraw/zinc/87/10/03/1070871003.db2.gz UUHIFWFBTMFEBN-OALUTQOASA-N 1 0 484.599 3.627 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001313663821 1070873057 /nfs/dbraw/zinc/87/30/57/1070873057.db2.gz KSTXNEPDZYAMGZ-DENIHFKCSA-N 1 0 486.636 3.571 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1)c1ccco1 ZINC001313664218 1070874959 /nfs/dbraw/zinc/87/49/59/1070874959.db2.gz LILWZTUMNIRYGQ-AZUAARDMSA-N 1 0 470.622 3.652 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001313664151 1070875492 /nfs/dbraw/zinc/87/54/92/1070875492.db2.gz MUUMTFJQSNSSSQ-MOPGFXCFSA-N 1 0 477.600 3.669 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001313664313 1070876143 /nfs/dbraw/zinc/87/61/43/1070876143.db2.gz APWFEZJITPFHAN-KIFXHHALSA-N 1 0 455.647 3.808 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313664426 1070876932 /nfs/dbraw/zinc/87/69/32/1070876932.db2.gz NDYKGTCXAKQSLH-KNKQGSTJSA-N 1 0 477.675 3.851 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313664940 1070878724 /nfs/dbraw/zinc/87/87/24/1070878724.db2.gz AZKLAHAGAMXSOK-FNAHDJPLSA-N 1 0 476.710 3.668 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC2(CCC2)C1 ZINC001313665253 1070879060 /nfs/dbraw/zinc/87/90/60/1070879060.db2.gz QFKWTXRAXZZBOU-LEWJYISDSA-N 1 0 490.693 3.882 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 ZINC001313665868 1070881489 /nfs/dbraw/zinc/88/14/89/1070881489.db2.gz SJVNQOADOOJHPK-REWPJTCUSA-N 1 0 456.635 3.585 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(F)cc1)c1ccco1 ZINC001313666426 1070883739 /nfs/dbraw/zinc/88/37/39/1070883739.db2.gz WNABBWPHAHHIJC-NRFANRHFSA-N 1 0 468.577 3.966 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC1CC(F)C1)c1ccccc1 ZINC001313666405 1070884074 /nfs/dbraw/zinc/88/40/74/1070884074.db2.gz WBWLGAJIRIMVOA-VTLFHKLASA-N 1 0 456.610 3.782 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(C(C)(C)C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314710858 1070889796 /nfs/dbraw/zinc/88/97/96/1070889796.db2.gz ACRGBAXLQMKSJS-HXUWFJFHSA-N 1 0 477.053 3.541 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(C2CCC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001314710079 1070886763 /nfs/dbraw/zinc/88/67/63/1070886763.db2.gz LMXXECBYHIWVRS-UHFFFAOYSA-N 1 0 458.676 3.870 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(C)c2C)CC1 ZINC001313667791 1070890092 /nfs/dbraw/zinc/89/00/92/1070890092.db2.gz MVZXUMTZFMZRQE-HSZRJFAPSA-N 1 0 478.689 3.813 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001313667162 1070887875 /nfs/dbraw/zinc/88/78/75/1070887875.db2.gz JOQZOYFKODUYSN-LJQANCHMSA-N 1 0 466.609 3.609 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001314710168 1070887952 /nfs/dbraw/zinc/88/79/52/1070887952.db2.gz NMGZXPSVHQQVIW-PZJWPPBQSA-N 1 0 472.634 3.691 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001313667161 1070888339 /nfs/dbraw/zinc/88/83/39/1070888339.db2.gz JOQZOYFKODUYSN-IBGZPJMESA-N 1 0 466.609 3.609 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](Oc2ccccc2)C1 ZINC001313668020 1070891099 /nfs/dbraw/zinc/89/10/99/1070891099.db2.gz NNIGLSDZAXYVQA-LADGPHEKSA-N 1 0 465.646 3.918 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001313668219 1070891466 /nfs/dbraw/zinc/89/14/66/1070891466.db2.gz OKUZWFFOHVELOY-MJGOQNOKSA-N 1 0 471.581 3.802 20 0 JHADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)CC(C)(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001314711696 1070892819 /nfs/dbraw/zinc/89/28/19/1070892819.db2.gz WIQMYHQNMQRPCX-FQEVSTJZSA-N 1 0 488.658 3.574 20 0 JHADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001309645650 1070899360 /nfs/dbraw/zinc/89/93/60/1070899360.db2.gz CEPAYEQSHRZWKD-UZLBHIALSA-N 1 0 463.987 3.612 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C(C)C)C1)c1ccsc1 ZINC001313671393 1070899497 /nfs/dbraw/zinc/89/94/97/1070899497.db2.gz IJKXLVKJGMUJTB-RTWAWAEBSA-N 1 0 455.632 3.741 20 0 JHADRO C[NH+](C)C[C@H](CNS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccc(Cl)cc1 ZINC001309640995 1070896720 /nfs/dbraw/zinc/89/67/20/1070896720.db2.gz GERGDIMTCIQGKL-KRWDZBQOSA-N 1 0 452.020 3.948 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313670714 1070897693 /nfs/dbraw/zinc/89/76/93/1070897693.db2.gz LFYZGOLKLRMCSL-UNMCSNQZSA-N 1 0 485.677 3.687 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001313671518 1070900243 /nfs/dbraw/zinc/90/02/43/1070900243.db2.gz QZBKIKMCAZRSLI-HXUWFJFHSA-N 1 0 485.677 3.878 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001313671815 1070900809 /nfs/dbraw/zinc/90/08/09/1070900809.db2.gz SOKRVQMJWWKRAV-INIZCTEOSA-N 1 0 488.731 3.764 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCOCC1)c1ccccc1 ZINC001313671629 1070901027 /nfs/dbraw/zinc/90/10/27/1070901027.db2.gz BBQSVRLCEWWTIC-NRFANRHFSA-N 1 0 487.446 3.966 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 ZINC001313672925 1070905734 /nfs/dbraw/zinc/90/57/34/1070905734.db2.gz QBTPZEGRLCRBDA-DNQXCXABSA-N 1 0 482.673 3.608 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2CCC(N3CCNC3=O)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001313673598 1070907113 /nfs/dbraw/zinc/90/71/13/1070907113.db2.gz FEWIAWBYROUVBX-JOCHJYFZSA-N 1 0 467.662 3.653 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314716802 1070907567 /nfs/dbraw/zinc/90/75/67/1070907567.db2.gz JJHSOCUQQMXYOS-UHFFFAOYSA-N 1 0 476.494 3.571 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 ZINC001313673630 1070907941 /nfs/dbraw/zinc/90/79/41/1070907941.db2.gz KJORKEXOOBLAHZ-OAQYLSRUSA-N 1 0 482.032 3.778 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOCC1)c1ccsc1 ZINC001313673714 1070908533 /nfs/dbraw/zinc/90/85/33/1070908533.db2.gz KXTLLFQAGKTIME-QFIPXVFZSA-N 1 0 471.627 3.944 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 ZINC001313675597 1070917460 /nfs/dbraw/zinc/91/74/60/1070917460.db2.gz UONKCDGJXWUFOV-RXVVDRJESA-N 1 0 450.587 3.597 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccsc1 ZINC001313675869 1070918788 /nfs/dbraw/zinc/91/87/88/1070918788.db2.gz SABZOHQPCGULDX-NZQKXSOJSA-N 1 0 496.681 3.977 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001313676307 1070920297 /nfs/dbraw/zinc/92/02/97/1070920297.db2.gz VMVJSHGTRQFQHJ-QPTUXGOLSA-N 1 0 468.690 3.816 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(Cc2ccccc2F)n1CCCC[NH+]1CCOCC1 ZINC001314722218 1070920500 /nfs/dbraw/zinc/92/05/00/1070920500.db2.gz FGWBQLKTPFNAJE-UHFFFAOYSA-N 1 0 472.996 3.805 20 0 JHADRO CCN(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccco1 ZINC001313676474 1070921019 /nfs/dbraw/zinc/92/10/19/1070921019.db2.gz DSBOPNFUUGGYQH-XZOQPEGZSA-N 1 0 499.681 3.867 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(COc2ccccc2F)n1CCC[NH+]1CCC(O)CC1 ZINC001314722425 1070921209 /nfs/dbraw/zinc/92/12/09/1070921209.db2.gz LPXUPEFMZOABNT-UHFFFAOYSA-N 1 0 488.995 3.528 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccccc1 ZINC001313676648 1070922223 /nfs/dbraw/zinc/92/22/23/1070922223.db2.gz YMXCSCOKXIHFNQ-YFNKSVMNSA-N 1 0 482.673 3.906 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](OC)C(C)(C)C1)c1ccco1 ZINC001313676897 1070922560 /nfs/dbraw/zinc/92/25/60/1070922560.db2.gz GSNIPSUNKBDPSF-IFMALSPDSA-N 1 0 452.603 3.801 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCCCO2)n1CC1([NH+](C)C)CCOCC1 ZINC001314725547 1070930468 /nfs/dbraw/zinc/93/04/68/1070930468.db2.gz OZJSAGCJDCLZRP-QGZVFWFLSA-N 1 0 482.423 3.622 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@](C)(OC)C1)c1ccco1 ZINC001313678910 1070933259 /nfs/dbraw/zinc/93/32/59/1070933259.db2.gz PGFWMLISZCANAF-BWKNWUBXSA-N 1 0 452.603 3.945 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(CO)CC1)c1ccsc1 ZINC001313680192 1070937757 /nfs/dbraw/zinc/93/77/57/1070937757.db2.gz RSSKSKHLRJSKLL-JOCHJYFZSA-N 1 0 454.644 3.617 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccsc1 ZINC001313681778 1070941973 /nfs/dbraw/zinc/94/19/73/1070941973.db2.gz ZSFCEQRHWIDCIE-SIKLNZKXSA-N 1 0 496.681 3.689 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCC1 ZINC001314728769 1070942137 /nfs/dbraw/zinc/94/21/37/1070942137.db2.gz BQABYFMBRNGHRN-INIZCTEOSA-N 1 0 481.464 3.564 20 0 JHADRO CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001313687759 1070947612 /nfs/dbraw/zinc/94/76/12/1070947612.db2.gz XHTHXAVXZXEXSJ-IBGZPJMESA-N 1 0 451.619 3.786 20 0 JHADRO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc(CN2CCCC2=O)n1CCC[NH+]1CCCC1 ZINC001314731156 1070949676 /nfs/dbraw/zinc/94/96/76/1070949676.db2.gz MOKYHLZUBOHWQE-UHFFFAOYSA-N 1 0 464.536 3.542 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCSC2)CC1 ZINC001313691211 1070950808 /nfs/dbraw/zinc/95/08/08/1070950808.db2.gz DPNFUVCKGKPBQJ-UUOWRZLLSA-N 1 0 477.650 3.736 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(C)=O)cc2)CC1 ZINC001313691247 1070950864 /nfs/dbraw/zinc/95/08/64/1070950864.db2.gz FMQCPCOFLABZGB-HHHXNRCGSA-N 1 0 498.672 3.636 20 0 JHADRO COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001309747485 1070951133 /nfs/dbraw/zinc/95/11/33/1070951133.db2.gz FNQXPGPBSIBAFP-UHFFFAOYSA-N 1 0 456.608 3.849 20 0 JHADRO CCc1ncc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)s1 ZINC001309749617 1070952628 /nfs/dbraw/zinc/95/26/28/1070952628.db2.gz PPRXAWCIBHNPJM-LEWJYISDSA-N 1 0 457.621 3.661 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314731908 1070951743 /nfs/dbraw/zinc/95/17/43/1070951743.db2.gz VVWGEGTZSNNPFZ-HZPDHXFCSA-N 1 0 465.048 3.945 20 0 JHADRO CN(Cc1ccc(F)c(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCC[NH+]1CCCCC1 ZINC001314732576 1070953028 /nfs/dbraw/zinc/95/30/28/1070953028.db2.gz GAJNFGHRVLNCGV-FQEVSTJZSA-N 1 0 495.640 3.751 20 0 JHADRO CN(Cc1ccc(F)c(F)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314732835 1070953715 /nfs/dbraw/zinc/95/37/15/1070953715.db2.gz IHYZHQXLIRXKPN-MOPGFXCFSA-N 1 0 460.554 3.508 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2ccc(C)cc2)CC1 ZINC001313693440 1070954779 /nfs/dbraw/zinc/95/47/79/1070954779.db2.gz KLOLETHEJWJLFZ-UHFFFAOYSA-N 1 0 495.697 3.683 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(O)(CC)CC)CC1 ZINC001313695250 1070959314 /nfs/dbraw/zinc/95/93/14/1070959314.db2.gz KWLSTINPTSHIGE-UHFFFAOYSA-N 1 0 465.646 3.993 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)C2CC2)CC1 ZINC001313695555 1070960763 /nfs/dbraw/zinc/96/07/63/1070960763.db2.gz HDZNMMXQHBLWIJ-QHCPKHFHSA-N 1 0 452.647 3.921 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnc(C)s2)CC1 ZINC001313696759 1070963922 /nfs/dbraw/zinc/96/39/22/1070963922.db2.gz IDSVPOUOYRHKLC-UHFFFAOYSA-N 1 0 470.643 3.990 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2COC)CC1 ZINC001313697338 1070965950 /nfs/dbraw/zinc/96/59/50/1070965950.db2.gz MLGQKUATOOPXPU-UHFFFAOYSA-N 1 0 465.646 3.645 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)N(C)C)CC1 ZINC001313697689 1070967582 /nfs/dbraw/zinc/96/75/82/1070967582.db2.gz OIPZHWQJDKWJCJ-UHFFFAOYSA-N 1 0 453.418 3.651 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001313698040 1070967691 /nfs/dbraw/zinc/96/76/91/1070967691.db2.gz PJMRZWVRYCTEDK-YTTGMZPUSA-N 1 0 461.676 3.812 20 0 JHADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 ZINC001309789846 1070968927 /nfs/dbraw/zinc/96/89/27/1070968927.db2.gz GAGZSQYHEPUOMT-HXUWFJFHSA-N 1 0 455.624 3.982 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](COC)OC)CC1 ZINC001313698060 1070969605 /nfs/dbraw/zinc/96/96/05/1070969605.db2.gz PULUYQOGDITFKW-SFHVURJKSA-N 1 0 498.441 3.819 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[C@H](C)C2)CC1 ZINC001313698867 1070971641 /nfs/dbraw/zinc/97/16/41/1070971641.db2.gz OHFKNOXABOKMTR-VQTJNVASSA-N 1 0 488.627 3.574 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2[C@H]2C[C@H](c3ccccc3C)C2)CC1 ZINC001313698894 1070971856 /nfs/dbraw/zinc/97/18/56/1070971856.db2.gz OWASKIGJQBTBLF-YHBQERECSA-N 1 0 466.674 3.894 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc(-c2cccnc2)n1CCCC[NH+]1CCOCC1 ZINC001314739471 1070972275 /nfs/dbraw/zinc/97/22/75/1070972275.db2.gz SFNCJLOJAXGHDT-UHFFFAOYSA-N 1 0 485.430 3.851 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)c1 ZINC001313699302 1070973181 /nfs/dbraw/zinc/97/31/81/1070973181.db2.gz AQKNJLLGRZDFSA-OAQYLSRUSA-N 1 0 474.531 3.998 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C(F)(F)F)C2)c1 ZINC001313699301 1070973185 /nfs/dbraw/zinc/97/31/85/1070973185.db2.gz AQKNJLLGRZDFSA-NRFANRHFSA-N 1 0 474.531 3.998 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc([C@H]2CCOC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314740419 1070975895 /nfs/dbraw/zinc/97/58/95/1070975895.db2.gz UTPLAXNXIFZGRK-LAUBAEHRSA-N 1 0 480.476 3.618 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(N3CCCN(Cc4noc(C)n4)CC3)nnc2C(C)(C)C)cc1 ZINC001313699652 1070974815 /nfs/dbraw/zinc/97/48/15/1070974815.db2.gz FUQCOWKBAJYGSH-UHFFFAOYSA-N 1 0 494.688 3.869 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC(=O)NC(C)(C)C)c1 ZINC001313699632 1070974853 /nfs/dbraw/zinc/97/48/53/1070974853.db2.gz FCCBZJZZYMMXPY-UHFFFAOYSA-N 1 0 477.657 3.890 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001313700995 1070978704 /nfs/dbraw/zinc/97/87/04/1070978704.db2.gz ALIVMIHZXVRNMH-NRFANRHFSA-N 1 0 484.645 3.600 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNC(=O)C(C)(C)C)C1 ZINC001313701071 1070978745 /nfs/dbraw/zinc/97/87/45/1070978745.db2.gz AYHZSOFNKMNEDH-HXUWFJFHSA-N 1 0 477.657 3.824 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(C)CCC2)CC1 ZINC001313701017 1070978794 /nfs/dbraw/zinc/97/87/94/1070978794.db2.gz PMECUTOQNYRGJR-UHFFFAOYSA-N 1 0 459.038 3.779 20 0 JHADRO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1CCC(O)CC1 ZINC001314742488 1070981584 /nfs/dbraw/zinc/98/15/84/1070981584.db2.gz YAPPUOSNGOOJOW-LJQANCHMSA-N 1 0 481.563 3.674 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CC(=O)N[C@@H]4CCCC[C@H]43)nnc2C(C)(C)C)c1 ZINC001313701658 1070980722 /nfs/dbraw/zinc/98/07/22/1070980722.db2.gz BWUSODITTPEAAO-FGZHOGPDSA-N 1 0 452.647 3.713 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc([C@H]2CCCO2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314740609 1070976563 /nfs/dbraw/zinc/97/65/63/1070976563.db2.gz XWDKAYJOBUAPDW-NHCUHLMSSA-N 1 0 492.462 3.765 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](F)COC)C1 ZINC001313701729 1070981288 /nfs/dbraw/zinc/98/12/88/1070981288.db2.gz KAYSCZCPYVTEGG-CABCVRRESA-N 1 0 474.444 3.922 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CC(C)C)nnc2N2CCC[C@H]2c2nncn2C)c1 ZINC001313702353 1070982895 /nfs/dbraw/zinc/98/28/95/1070982895.db2.gz GKKIYSLSCKPLKB-QFIPXVFZSA-N 1 0 450.635 3.837 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H](C)c2cccc(C)c2)CC1 ZINC001313702163 1070983439 /nfs/dbraw/zinc/98/34/39/1070983439.db2.gz ALGKLRYPMPDUPK-NRFANRHFSA-N 1 0 452.647 3.648 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2OC(F)F)CC1 ZINC001313702666 1070985561 /nfs/dbraw/zinc/98/55/61/1070985561.db2.gz DFKBRTAQZGONOD-UHFFFAOYSA-N 1 0 490.599 3.576 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)C(C)(C)C)C1 ZINC001313703114 1070986084 /nfs/dbraw/zinc/98/60/84/1070986084.db2.gz WCTZNHJGAOMJGW-GOSISDBHSA-N 1 0 461.054 3.929 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001313705063 1070992552 /nfs/dbraw/zinc/99/25/52/1070992552.db2.gz QEVFRXKVRVUYJR-UHFFFAOYSA-N 1 0 466.674 3.815 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCCN(CC(F)(F)F)CC2)cc1 ZINC001313704293 1070990393 /nfs/dbraw/zinc/99/03/93/1070990393.db2.gz KIDGTQWJDOOCIY-QFIPXVFZSA-N 1 0 494.606 3.747 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCOC[C@H]2C)C1 ZINC001313705111 1070993113 /nfs/dbraw/zinc/99/31/13/1070993113.db2.gz ALWPBNOZSYBKAR-VJBWXMMDSA-N 1 0 482.673 3.988 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C)nnc2N2CCN(C(C)=O)C3(CCCCC3)C2)cc1 ZINC001313705255 1070992505 /nfs/dbraw/zinc/99/25/05/1070992505.db2.gz PGWZMQMVQHCADE-UHFFFAOYSA-N 1 0 452.647 3.848 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(Br)s2)C1 ZINC001313705114 1070993206 /nfs/dbraw/zinc/99/32/06/1070993206.db2.gz AQZRXJGKMKGBKF-MRXNPFEDSA-N 1 0 497.507 3.651 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001313705624 1070994292 /nfs/dbraw/zinc/99/42/92/1070994292.db2.gz VUFLBODAGQJBLO-UHFFFAOYSA-N 1 0 489.064 3.659 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(C)C)nnc2N2CCN(c3ncc(F)cn3)CC2)cc1 ZINC001313705749 1070994397 /nfs/dbraw/zinc/99/43/97/1070994397.db2.gz UKGJPHXQERKIRV-UHFFFAOYSA-N 1 0 466.609 3.547 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(F)ccc2SC)C1 ZINC001313706241 1070995521 /nfs/dbraw/zinc/99/55/21/1070995521.db2.gz AVTGWDKUSLQUIU-KRWDZBQOSA-N 1 0 457.623 3.756 20 0 JHADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001309852493 1070995801 /nfs/dbraw/zinc/99/58/01/1070995801.db2.gz JDFNMGRVASBOMM-QWHZDKJVSA-N 1 0 455.805 3.820 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)c2ccco2)C1 ZINC001313706296 1070996369 /nfs/dbraw/zinc/99/63/69/1070996369.db2.gz HBUFVLQMUQWVKM-KDYSTLNUSA-N 1 0 494.640 3.816 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)C2CCC(NC(C)=O)CC2)cc1 ZINC001313706939 1070996854 /nfs/dbraw/zinc/99/68/54/1070996854.db2.gz ZFMAAWDQAGLNBO-IHSPPPAMSA-N 1 0 496.700 3.946 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)C2CCC(NC(C)=O)CC2)cc1 ZINC001313706940 1070997616 /nfs/dbraw/zinc/99/76/16/1070997616.db2.gz ZFMAAWDQAGLNBO-JDSVYEKJSA-N 1 0 496.700 3.946 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCn2cc(Cl)cn2)C1 ZINC001313707022 1070997628 /nfs/dbraw/zinc/99/76/28/1070997628.db2.gz IPIUARZYBPMOSO-SFHVURJKSA-N 1 0 458.010 3.672 20 0 JHADRO CN(Cc1ccccc1Br)c1nnc(C(=O)N2CCCC2)n1CC[N@H+](C)C1CCCC1 ZINC001314749091 1070998814 /nfs/dbraw/zinc/99/88/14/1070998814.db2.gz MOWKAVINMHRTAI-UHFFFAOYSA-N 1 0 489.462 3.787 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001313708167 1070999790 /nfs/dbraw/zinc/99/97/90/1070999790.db2.gz YDEBULGJZATCID-MOPGFXCFSA-N 1 0 459.639 3.602 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCS2)C1 ZINC001313708373 1071000261 /nfs/dbraw/zinc/00/02/61/1071000261.db2.gz UYPSOFUYAJRPCW-CTNGQTDRSA-N 1 0 491.105 3.925 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CCOCC2)C1 ZINC001313708280 1071000388 /nfs/dbraw/zinc/00/03/88/1071000388.db2.gz SEMHSEPZNCTQNH-XZOQPEGZSA-N 1 0 485.673 3.745 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)c(C)c2)C1 ZINC001313708769 1071000496 /nfs/dbraw/zinc/00/04/96/1071000496.db2.gz ZDMXUQPDAJCFCY-HXUWFJFHSA-N 1 0 465.577 3.589 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2ncccc2F)C1 ZINC001313708696 1071000631 /nfs/dbraw/zinc/00/06/31/1071000631.db2.gz AWTYRLBBSUYJNA-KCZVDYSFSA-N 1 0 488.652 3.978 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ncnn2C(C)(C)C)C1 ZINC001314750567 1071002282 /nfs/dbraw/zinc/00/22/82/1071002282.db2.gz UNYDIEPXYZUKJT-HXUWFJFHSA-N 1 0 450.635 3.681 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001313709775 1071002766 /nfs/dbraw/zinc/00/27/66/1071002766.db2.gz QCYCTLOQMYMKHQ-RBUKOAKNSA-N 1 0 464.655 3.601 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2cc(C)oc2C)C1 ZINC001313710661 1071005227 /nfs/dbraw/zinc/00/52/27/1071005227.db2.gz BKBRIBMSRYYWQL-RLWLMLJZSA-N 1 0 466.630 3.550 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001313710964 1071005513 /nfs/dbraw/zinc/00/55/13/1071005513.db2.gz DOSABWCMJAHHDP-FQEVSTJZSA-N 1 0 488.702 3.965 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001313710971 1071005638 /nfs/dbraw/zinc/00/56/38/1071005638.db2.gz DTZOFQQWWHXLAS-QFIPXVFZSA-N 1 0 486.636 3.655 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)OC)C1 ZINC001313710993 1071005870 /nfs/dbraw/zinc/00/58/70/1071005870.db2.gz LCOCGXLNAIZROM-NHCUHLMSSA-N 1 0 492.709 3.986 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001313711804 1071007097 /nfs/dbraw/zinc/00/70/97/1071007097.db2.gz HIYZDIHEWWHRCV-UHFFFAOYSA-N 1 0 463.634 3.835 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313711777 1071007215 /nfs/dbraw/zinc/00/72/15/1071007215.db2.gz GKNSFBYRNRRZQJ-INIZCTEOSA-N 1 0 450.990 3.527 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC(F)(F)F)C1 ZINC001313713025 1071010036 /nfs/dbraw/zinc/01/00/36/1071010036.db2.gz SKFQCXLCSCYERN-IBGZPJMESA-N 1 0 494.610 3.963 20 0 JHADRO CCOC(=O)c1ccc(C)c(S(=O)(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC001309904987 1071011339 /nfs/dbraw/zinc/01/13/39/1071011339.db2.gz OAZXPOLQHRVOOE-UHFFFAOYSA-N 1 0 456.608 3.948 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 ZINC001313715622 1071014523 /nfs/dbraw/zinc/01/45/23/1071014523.db2.gz KMIOEONKKTWYHD-QHCPKHFHSA-N 1 0 450.587 3.659 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C1 ZINC001313714543 1071012367 /nfs/dbraw/zinc/01/23/67/1071012367.db2.gz YZOZKGSXACOHHR-HXUWFJFHSA-N 1 0 456.038 3.781 20 0 JHADRO CN(Cc1cccs1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001314759122 1071013960 /nfs/dbraw/zinc/01/39/60/1071013960.db2.gz SBXGKPMJKSCSNG-FQEVSTJZSA-N 1 0 490.674 3.770 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001313715955 1071015534 /nfs/dbraw/zinc/01/55/34/1071015534.db2.gz MDBTYMWTQGVDNS-HXUWFJFHSA-N 1 0 456.664 3.613 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(COc2ccccc2F)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314760079 1071016167 /nfs/dbraw/zinc/01/61/67/1071016167.db2.gz FWTUNPJVBOWKPL-HXUWFJFHSA-N 1 0 469.590 3.731 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314760362 1071016764 /nfs/dbraw/zinc/01/67/64/1071016764.db2.gz JPCUGGQGGLVAIN-OAQYLSRUSA-N 1 0 453.591 3.742 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001313717375 1071017139 /nfs/dbraw/zinc/01/71/39/1071017139.db2.gz OVXICGWQGDJLGR-JOCHJYFZSA-N 1 0 451.619 3.985 20 0 JHADRO CC[NH+](CC)CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001313718800 1071019133 /nfs/dbraw/zinc/01/91/33/1071019133.db2.gz VNUGCAIFLOISOL-RTWAWAEBSA-N 1 0 492.709 3.986 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC(C)(C)C1 ZINC001313719261 1071020390 /nfs/dbraw/zinc/02/03/90/1071020390.db2.gz ZQRQRUUPJLHODK-UHFFFAOYSA-N 1 0 457.619 3.701 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001313719801 1071020704 /nfs/dbraw/zinc/02/07/04/1071020704.db2.gz WRNVQWVNQPNDJH-BNIKKZEQSA-N 1 0 468.646 3.624 20 0 JHADRO CC[NH+](CC)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2oncc2C1 ZINC001313720143 1071021286 /nfs/dbraw/zinc/02/12/86/1071021286.db2.gz URJKNWBBHZNXNO-UHFFFAOYSA-N 1 0 487.649 3.675 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001313721915 1071025797 /nfs/dbraw/zinc/02/57/97/1071025797.db2.gz NEHWRICIZFJBJR-XLIONFOSSA-N 1 0 456.616 3.718 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCOCC1 ZINC001313720909 1071022085 /nfs/dbraw/zinc/02/20/85/1071022085.db2.gz UQYOXDKYUKSOIY-UHFFFAOYSA-N 1 0 461.676 3.861 20 0 JHADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1c2ccccc2CC[C@@H]1Cc1ccccc1 ZINC001309937846 1071022714 /nfs/dbraw/zinc/02/27/14/1071022714.db2.gz IQBBGCURQILYRI-HSZRJFAPSA-N 1 0 452.624 3.814 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001313721171 1071023256 /nfs/dbraw/zinc/02/32/56/1071023256.db2.gz HPDLDXPCTMZIFR-SZNDQCEHSA-N 1 0 453.418 3.684 20 0 JHADRO CN(Cc1cnccn1)c1nnc(-c2ccc(Br)cc2)n1CC1([NH+](C)C)CCC1 ZINC001314763947 1071023788 /nfs/dbraw/zinc/02/37/88/1071023788.db2.gz MEJMEJVFJLEOFS-UHFFFAOYSA-N 1 0 456.392 3.618 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccc2F)CC1 ZINC001313721412 1071024035 /nfs/dbraw/zinc/02/40/35/1071024035.db2.gz AMWSXAYNSUATIS-LJQANCHMSA-N 1 0 467.593 3.545 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001313721816 1071025043 /nfs/dbraw/zinc/02/50/43/1071025043.db2.gz RRNJVSIAOKIBJE-WIYYLYMNSA-N 1 0 481.645 3.940 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001313723762 1071029274 /nfs/dbraw/zinc/02/92/74/1071029274.db2.gz MNORWPDHRBKUFF-RYRKJORJSA-N 1 0 498.441 3.817 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001313724858 1071031451 /nfs/dbraw/zinc/03/14/51/1071031451.db2.gz SJZMCBKKHFVFQF-GOSISDBHSA-N 1 0 497.109 3.579 20 0 JHADRO CCn1cc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+](CC)CC)cn1 ZINC001313724316 1071030631 /nfs/dbraw/zinc/03/06/31/1071030631.db2.gz PUKWJHHKFVAYHT-OAHLLOKOSA-N 1 0 463.428 3.619 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313722415 1071026843 /nfs/dbraw/zinc/02/68/43/1071026843.db2.gz ZCEHTMOXNOAROT-VSKRKVRLSA-N 1 0 479.673 3.769 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001313723184 1071028319 /nfs/dbraw/zinc/02/83/19/1071028319.db2.gz CJOMGVHZVAIVCK-QGZVFWFLSA-N 1 0 481.563 3.956 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC001313725222 1071032030 /nfs/dbraw/zinc/03/20/30/1071032030.db2.gz HLUKZNWBKNUNTJ-ISKFKSNPSA-N 1 0 469.674 3.724 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001313725483 1071032500 /nfs/dbraw/zinc/03/25/00/1071032500.db2.gz KETSAXATZWBUPK-GOSISDBHSA-N 1 0 494.610 3.961 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001313725382 1071032578 /nfs/dbraw/zinc/03/25/78/1071032578.db2.gz YFPWGPSQUVJSTG-MDZRGWNJSA-N 1 0 465.440 3.771 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccccc1 ZINC001313726147 1071034154 /nfs/dbraw/zinc/03/41/54/1071034154.db2.gz ZVEIUHUPYIZHJG-OAQYLSRUSA-N 1 0 462.646 3.819 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCC1CCOCC1 ZINC001313725901 1071034186 /nfs/dbraw/zinc/03/41/86/1071034186.db2.gz ULUBEASXNMEFJZ-AUSIDOKSSA-N 1 0 457.619 3.774 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001313727188 1071036702 /nfs/dbraw/zinc/03/67/02/1071036702.db2.gz MFQRNESWUPMWLP-LJQANCHMSA-N 1 0 459.660 3.999 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCC(NC(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001313727118 1071036119 /nfs/dbraw/zinc/03/61/19/1071036119.db2.gz XEGYPJIPKACNAJ-HXUWFJFHSA-N 1 0 452.647 3.583 20 0 JHADRO CN(Cc1cscn1)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCC1 ZINC001314771419 1071036201 /nfs/dbraw/zinc/03/62/01/1071036201.db2.gz OTYMLOHBEOJZJM-UHFFFAOYSA-N 1 0 450.410 3.613 20 0 JHADRO CN(Cc1cscn1)c1nnc(COc2ccc(F)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314771471 1071036223 /nfs/dbraw/zinc/03/62/23/1071036223.db2.gz TYBYLSDOZUFJDP-LJQANCHMSA-N 1 0 456.547 3.985 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(CN2CCCC2=O)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314771941 1071037232 /nfs/dbraw/zinc/03/72/32/1071037232.db2.gz OMSVBEKAKGHASX-UHFFFAOYSA-N 1 0 499.607 3.634 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C1CC1)[NH+](C)C ZINC001314772698 1071039729 /nfs/dbraw/zinc/03/97/29/1071039729.db2.gz AZBGYBXEZPQNHX-MBOZVWFJSA-N 1 0 464.058 3.560 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(COc2ccc(F)cc2)n1CC[NH+]1CCCCCC1 ZINC001314772891 1071040212 /nfs/dbraw/zinc/04/02/12/1071040212.db2.gz FMWJZAGWMQXUND-UHFFFAOYSA-N 1 0 476.000 3.896 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001313731848 1071047978 /nfs/dbraw/zinc/04/79/78/1071047978.db2.gz WITNDPSOTURCTQ-HMFYCAOWSA-N 1 0 474.600 3.902 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001313730567 1071045003 /nfs/dbraw/zinc/04/50/03/1071045003.db2.gz IXNUOHHJXONRTE-SFHVURJKSA-N 1 0 495.640 3.749 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314775910 1071047204 /nfs/dbraw/zinc/04/72/04/1071047204.db2.gz WTSZYKJKCOFNMH-SFHVURJKSA-N 1 0 462.429 3.886 20 0 JHADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001309997890 1071047506 /nfs/dbraw/zinc/04/75/06/1071047506.db2.gz RYCJNIYCZSPWHN-QFIPXVFZSA-N 1 0 456.612 3.647 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(CC(C)(C)C)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001314775940 1071047770 /nfs/dbraw/zinc/04/77/70/1071047770.db2.gz XOMXZIKZODEUGM-UHFFFAOYSA-N 1 0 470.065 3.989 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001313731869 1071048644 /nfs/dbraw/zinc/04/86/44/1071048644.db2.gz WNPGZXVTFTYKOA-MOPGFXCFSA-N 1 0 495.640 3.605 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001313732639 1071050186 /nfs/dbraw/zinc/05/01/86/1071050186.db2.gz IRVRFXUTHZRPGK-KRWDZBQOSA-N 1 0 465.067 3.874 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001313732880 1071050689 /nfs/dbraw/zinc/05/06/89/1071050689.db2.gz IKUUMBHOKXUOCW-QHCPKHFHSA-N 1 0 452.578 3.863 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(CN2CCCC2=O)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001313732934 1071051107 /nfs/dbraw/zinc/05/11/07/1071051107.db2.gz KUBHYHVVIAYTDJ-SFHVURJKSA-N 1 0 495.093 3.643 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccccc2Cl)n1CCC[NH+]1CCCCC1 ZINC001314777882 1071051363 /nfs/dbraw/zinc/05/13/63/1071051363.db2.gz XQJXRSKVYOLNDU-UHFFFAOYSA-N 1 0 478.979 3.968 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCOC2)n1CC1([NH+](C)C)CCCCC1 ZINC001313735212 1071056125 /nfs/dbraw/zinc/05/61/25/1071056125.db2.gz UOTRAQUACWALAA-HSZRJFAPSA-N 1 0 482.673 3.775 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001313736405 1071058020 /nfs/dbraw/zinc/05/80/20/1071058020.db2.gz XDSUEVTUAVWACI-FQEVSTJZSA-N 1 0 451.619 3.836 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001313736335 1071058078 /nfs/dbraw/zinc/05/80/78/1071058078.db2.gz WBSKUWSVCBHRGU-DENIHFKCSA-N 1 0 454.619 3.529 20 0 JHADRO CN(CC1CC(F)C1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314782737 1071058415 /nfs/dbraw/zinc/05/84/15/1071058415.db2.gz IRABVPCDDCJCQX-WDQDQHCCSA-N 1 0 478.657 3.917 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001313740232 1071064920 /nfs/dbraw/zinc/06/49/20/1071064920.db2.gz GGVMJJSIOSVJFL-IBGZPJMESA-N 1 0 452.628 3.780 20 0 JHADRO CN(C[C@@H]1CC=CCC1)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314788296 1071065387 /nfs/dbraw/zinc/06/53/87/1071065387.db2.gz FQMYKFHNEVRFKN-HXUWFJFHSA-N 1 0 451.619 3.840 20 0 JHADRO CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC001310022309 1071066429 /nfs/dbraw/zinc/06/64/29/1071066429.db2.gz BQGZRCQXXWWBOD-OALUTQOASA-N 1 0 450.649 3.882 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313741837 1071067839 /nfs/dbraw/zinc/06/78/39/1071067839.db2.gz SREWANCDYHSFNJ-VXKWHMMOSA-N 1 0 482.673 3.623 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+](C)C(C)C ZINC001313745555 1071074123 /nfs/dbraw/zinc/07/41/23/1071074123.db2.gz HQQIDKAONFKLJY-UHFFFAOYSA-N 1 0 487.649 3.744 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccncc2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001313755709 1071096417 /nfs/dbraw/zinc/09/64/17/1071096417.db2.gz YRTGKIPAXZJHNL-SFTDATJTSA-N 1 0 464.662 3.780 20 0 JHADRO Cc1ccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC001310070813 1071096494 /nfs/dbraw/zinc/09/64/94/1071096494.db2.gz DOJRRXKNFPMBGL-UHFFFAOYSA-N 1 0 450.649 3.755 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCCC1 ZINC001314808052 1071097768 /nfs/dbraw/zinc/09/77/68/1071097768.db2.gz GSBOBNIYSYNGPB-OAQYLSRUSA-N 1 0 490.693 3.741 20 0 JHADRO CCN(CC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313763997 1071110664 /nfs/dbraw/zinc/11/06/64/1071110664.db2.gz DVSTWQKFQFPTKW-CZAYHTPWSA-N 1 0 490.693 3.784 20 0 JHADRO C[C@@H]1CN(Cc2csc(NC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)n2)C[C@H](C)O1 ZINC001310087909 1071111592 /nfs/dbraw/zinc/11/15/92/1071111592.db2.gz PMHOQRIJMKWYOM-KDURUIRLSA-N 1 0 457.644 3.881 20 0 JHADRO CCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001313764423 1071111653 /nfs/dbraw/zinc/11/16/53/1071111653.db2.gz HLKOHPBLAADMSE-IRLDBZIGSA-N 1 0 490.693 3.945 20 0 JHADRO CCN(CC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313764601 1071111758 /nfs/dbraw/zinc/11/17/58/1071111758.db2.gz UKJWZAQRFJZLJV-OYRHEFFESA-N 1 0 490.693 3.520 20 0 JHADRO CCN(CC1CCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001313768559 1071117089 /nfs/dbraw/zinc/11/70/89/1071117089.db2.gz RIHPIUMGXDAVFZ-KNQAVFIVSA-N 1 0 473.687 3.936 20 0 JHADRO CN(CC1CCN(c2nnc(-c3ccc[nH]3)n2CC[NH+]2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC001314813472 1071114131 /nfs/dbraw/zinc/11/41/31/1071114131.db2.gz RAJFCJIDHMYGES-UHFFFAOYSA-N 1 0 471.650 3.842 20 0 JHADRO CN(C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1)C(=O)OC(C)(C)C ZINC001314813511 1071114794 /nfs/dbraw/zinc/11/47/94/1071114794.db2.gz SIUFVAQARZKWMY-NHCUHLMSSA-N 1 0 490.693 3.597 20 0 JHADRO CN(C[C@@H]1CCOC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314815527 1071121705 /nfs/dbraw/zinc/12/17/05/1071121705.db2.gz NILMHFYLBITRJJ-PCCBWWKXSA-N 1 0 490.693 3.786 20 0 JHADRO COC(=O)c1ccc(F)c(NC(=O)NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)c1 ZINC001310125477 1071136204 /nfs/dbraw/zinc/13/62/04/1071136204.db2.gz XUOSELXCVXIJSG-QZTJIDSGSA-N 1 0 457.546 3.943 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(Cc2ccncc2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001314821381 1071138418 /nfs/dbraw/zinc/13/84/18/1071138418.db2.gz LIPFASSXFRUHEG-UHFFFAOYSA-N 1 0 466.552 3.688 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(Cc2ccccc2F)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314821771 1071138982 /nfs/dbraw/zinc/13/89/82/1071138982.db2.gz QZBSXKPZABDNHZ-QFIPXVFZSA-N 1 0 473.637 3.964 20 0 JHADRO Cc1cc(N2CCC(NC(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)CC2)nc(C)n1 ZINC001310130142 1071141026 /nfs/dbraw/zinc/14/10/26/1071141026.db2.gz DUOYQEPDHXJRPV-CALCHBBNSA-N 1 0 456.566 3.637 20 0 JHADRO CN(CCC(F)F)c1nnc(-c2ccc(Br)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001314822964 1071142919 /nfs/dbraw/zinc/14/29/19/1071142919.db2.gz BTVBWBBNKIBUKM-UHFFFAOYSA-N 1 0 472.378 3.646 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC1([NH+](C)C)CCCCC1 ZINC001314823222 1071144317 /nfs/dbraw/zinc/14/43/17/1071144317.db2.gz BAQPHINDIXYJRQ-UHFFFAOYSA-N 1 0 491.562 3.845 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001313780441 1071144695 /nfs/dbraw/zinc/14/46/95/1071144695.db2.gz MRGUYTSKHCKNQT-BHIFYINESA-N 1 0 490.693 3.738 20 0 JHADRO CCN(C[C@@H]1COc2ccccc2O1)c1nnc([C@@H]2CCCCO2)n1CC[N@H+](CC)C(C)C ZINC001313784679 1071156928 /nfs/dbraw/zinc/15/69/28/1071156928.db2.gz GGEHCHPWOBGCET-OFNKIYASSA-N 1 0 457.619 3.916 20 0 JHADRO CN(CCc1ccc(Cl)cc1)c1nnc(Cc2ccncc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314829144 1071157607 /nfs/dbraw/zinc/15/76/07/1071157607.db2.gz DMIOBAOSPUAFFK-UHFFFAOYSA-N 1 0 482.076 3.622 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccco2)[NH+](C)C)C1)CC(F)(F)F ZINC001313788149 1071173014 /nfs/dbraw/zinc/17/30/14/1071173014.db2.gz JHRGFDUHAQQTOD-AZUAARDMSA-N 1 0 493.578 3.890 20 0 JHADRO CN(CCc1cnccn1)c1nnc(Cc2ccsc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314834802 1071175019 /nfs/dbraw/zinc/17/50/19/1071175019.db2.gz AVNDFTDDFFYNMZ-JOCHJYFZSA-N 1 0 453.660 3.910 20 0 JHADRO CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001313790439 1071182776 /nfs/dbraw/zinc/18/27/76/1071182776.db2.gz CJZFORPWLRHGNE-ZEQRLZLVSA-N 1 0 487.714 3.760 20 0 JHADRO CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001313790437 1071182853 /nfs/dbraw/zinc/18/28/53/1071182853.db2.gz CJZFORPWLRHGNE-DNQXCXABSA-N 1 0 487.714 3.760 20 0 JHADRO C[C@H]1CN(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001310180996 1071186390 /nfs/dbraw/zinc/18/63/90/1071186390.db2.gz SEOHDKXBOFBYHQ-OXJNMPFZSA-N 1 0 459.978 3.675 20 0 JHADRO CN(CCCc1ccccn1)c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001314840202 1071186794 /nfs/dbraw/zinc/18/67/94/1071186794.db2.gz SYQLEPUEXRDUMM-DEOSSOPVSA-N 1 0 462.642 3.655 20 0 JHADRO CN(CCCc1ccccn1)c1nnc(-c2ccccc2F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314843820 1071196967 /nfs/dbraw/zinc/19/69/67/1071196967.db2.gz PWDUNCVBKFJROF-XMMPIXPASA-N 1 0 454.619 3.986 20 0 JHADRO CN(CCCCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314844670 1071198833 /nfs/dbraw/zinc/19/88/33/1071198833.db2.gz HBVKRXKGEWTKNT-DEOSSOPVSA-N 1 0 451.644 3.632 20 0 JHADRO CN(CCCCCO)c1nnc([C@H]2CCCOC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314844886 1071199688 /nfs/dbraw/zinc/19/96/88/1071199688.db2.gz CERBMOKVZHAODM-QHCPKHFHSA-N 1 0 455.647 3.608 20 0 JHADRO COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001310210743 1071208591 /nfs/dbraw/zinc/20/85/91/1071208591.db2.gz FTYGLLGBFIKSCQ-OAQYLSRUSA-N 1 0 456.562 3.657 20 0 JHADRO CC[N@H+](CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001313801942 1071206511 /nfs/dbraw/zinc/20/65/11/1071206511.db2.gz LTOWJXKPKZDZJP-KNQAVFIVSA-N 1 0 495.665 3.691 20 0 JHADRO 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20 0 JHADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)[C@H](C)C1 ZINC001310460809 1071403357 /nfs/dbraw/zinc/40/33/57/1071403357.db2.gz WOQWSTCXTWGBLX-CVEARBPZSA-N 1 0 455.946 3.994 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314948358 1071410891 /nfs/dbraw/zinc/41/08/91/1071410891.db2.gz NGDSZDXIEUOVRX-HXOBKFHXSA-N 1 0 491.665 3.984 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2[C@@H]2C[C@H]2CF)C[C@H]1C ZINC001313868765 1071406608 /nfs/dbraw/zinc/40/66/08/1071406608.db2.gz NSQMOCALAKWCGQ-IZBJGVDFSA-N 1 0 464.630 3.842 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(C)cc2OCCOC)C[C@@H]1C ZINC001313869295 1071408414 /nfs/dbraw/zinc/40/84/14/1071408414.db2.gz CHSAMTYDESMNDV-LEWJYISDSA-N 1 0 464.614 3.641 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(SC)CCOCC2)C[C@@H]1C ZINC001313869384 1071408426 /nfs/dbraw/zinc/40/84/26/1071408426.db2.gz PDBLHOHUIBGSBW-SFTDATJTSA-N 1 0 487.714 3.903 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313869430 1071409158 /nfs/dbraw/zinc/40/91/58/1071409158.db2.gz PTABRAZMNJWWQL-NHCUHLMSSA-N 1 0 470.662 3.897 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccsc3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313870113 1071412638 /nfs/dbraw/zinc/41/26/38/1071412638.db2.gz SCVPPFPQTDGABX-SJORKVTESA-N 1 0 458.598 3.734 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001313870482 1071413077 /nfs/dbraw/zinc/41/30/77/1071413077.db2.gz SYEURFRRWXXESU-RTBURBONSA-N 1 0 486.462 3.641 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnc(C)s2)C[C@H]1C ZINC001313870573 1071413300 /nfs/dbraw/zinc/41/33/00/1071413300.db2.gz UXQFNNNOCGTWMP-MSOLQXFVSA-N 1 0 454.644 3.804 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313870580 1071413415 /nfs/dbraw/zinc/41/34/15/1071413415.db2.gz DNALEFPQAGYMLL-QZTJIDSGSA-N 1 0 489.546 3.676 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313870606 1071414322 /nfs/dbraw/zinc/41/43/22/1071414322.db2.gz FBSNDDFCZIBDIC-WOJBJXKFSA-N 1 0 466.596 3.980 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314949849 1071416069 /nfs/dbraw/zinc/41/60/69/1071416069.db2.gz JMGPSRVZGADOLD-NRFANRHFSA-N 1 0 466.674 3.688 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2nnc(C)s2)C[C@@H]1C ZINC001313871576 1071417293 /nfs/dbraw/zinc/41/72/93/1071417293.db2.gz URSKZIZWGRVZSL-DLBZAZTESA-N 1 0 485.658 3.674 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2nnc(C)s2)C[C@H]1C ZINC001313871577 1071417554 /nfs/dbraw/zinc/41/75/54/1071417554.db2.gz URSKZIZWGRVZSL-IAGOWNOFSA-N 1 0 485.658 3.674 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2scnc2C)C[C@@H]1C ZINC001313873077 1071423591 /nfs/dbraw/zinc/42/35/91/1071423591.db2.gz YQQKSWXKJVFDOH-IRXDYDNUSA-N 1 0 470.643 3.889 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313873791 1071426454 /nfs/dbraw/zinc/42/64/54/1071426454.db2.gz DJAYWDDWULSZKR-QHAWAJNXSA-N 1 0 494.606 3.969 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313874376 1071428716 /nfs/dbraw/zinc/42/87/16/1071428716.db2.gz NQZJEVAQUZBYRH-NJYVYQBISA-N 1 0 485.677 3.686 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2ccnc2C)C[C@H]1C ZINC001313874414 1071428790 /nfs/dbraw/zinc/42/87/90/1071428790.db2.gz NVGCSYNDNLJVIX-QZTJIDSGSA-N 1 0 457.573 3.661 20 0 JHADRO CCN1C[C@H](CN(C)c2nnc(-c3ccccn3)n2CCC[N@H+](C)C(C)C)Oc2ccccc21 ZINC001313874642 1071429558 /nfs/dbraw/zinc/42/95/58/1071429558.db2.gz BRTMKFZAAWPMOI-NRFANRHFSA-N 1 0 463.630 3.794 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001310491890 1071431384 /nfs/dbraw/zinc/43/13/84/1071431384.db2.gz XPOSRONNRCCFPY-SIKLNZKXSA-N 1 0 453.649 3.753 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C(C)C)cs2)C[C@@H]1C ZINC001313877049 1071440040 /nfs/dbraw/zinc/44/00/40/1071440040.db2.gz QXMSOHNMXQAINA-OALUTQOASA-N 1 0 456.664 3.687 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)cc2)C[C@@H]1C ZINC001313876969 1071440080 /nfs/dbraw/zinc/44/00/80/1071440080.db2.gz PSSXOEIMWZCARD-ROUUACIJSA-N 1 0 470.618 3.570 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cc(Cl)cn2)C[C@H]1C ZINC001313877017 1071440096 /nfs/dbraw/zinc/44/00/96/1071440096.db2.gz QFPPABMIZZKHTN-UXHICEINSA-N 1 0 472.037 3.943 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313876511 1071438246 /nfs/dbraw/zinc/43/82/46/1071438246.db2.gz PBRVDGLJCIHKKR-NHCUHLMSSA-N 1 0 486.661 3.918 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001313876671 1071439137 /nfs/dbraw/zinc/43/91/37/1071439137.db2.gz VKOYANVHZYLSJZ-MSOLQXFVSA-N 1 0 453.591 3.610 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC001313877346 1071441631 /nfs/dbraw/zinc/44/16/31/1071441631.db2.gz XDHVMXBMVSAGAI-MOPGFXCFSA-N 1 0 480.613 3.528 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)C(=O)NC)C[C@H]1C ZINC001313877580 1071442493 /nfs/dbraw/zinc/44/24/93/1071442493.db2.gz RHJJDFRHZJWQBI-UXHICEINSA-N 1 0 484.689 3.846 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Cl)cc3OC)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001313877823 1071443220 /nfs/dbraw/zinc/44/32/20/1071443220.db2.gz YBNDDJAMWMFRRM-QGZVFWFLSA-N 1 0 477.053 3.547 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCCCCC1 ZINC001314964635 1071443696 /nfs/dbraw/zinc/44/36/96/1071443696.db2.gz PXGJTHGDFDHZTO-OAQYLSRUSA-N 1 0 484.689 3.849 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001313878140 1071443994 /nfs/dbraw/zinc/44/39/94/1071443994.db2.gz VJKVCZDRFMGETE-MSOLQXFVSA-N 1 0 489.546 3.567 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C[C@H]1C ZINC001313878261 1071444587 /nfs/dbraw/zinc/44/45/87/1071444587.db2.gz WDIZOCUYKWCQIK-RZUBCFFCSA-N 1 0 485.677 3.732 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001313877218 1071440871 /nfs/dbraw/zinc/44/08/71/1071440871.db2.gz RLROLIUQAYWBMS-HSZRJFAPSA-N 1 0 489.462 3.531 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314965578 1071447084 /nfs/dbraw/zinc/44/70/84/1071447084.db2.gz VOAFWCSVDOYQIO-IBGZPJMESA-N 1 0 490.743 3.525 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313879241 1071448418 /nfs/dbraw/zinc/44/84/18/1071448418.db2.gz ZEKXZGNFVSTCDQ-WOJBJXKFSA-N 1 0 456.635 3.621 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CC[NH+](CC)CC1 ZINC001313879351 1071449238 /nfs/dbraw/zinc/44/92/38/1071449238.db2.gz AXKRMVMFTWEUMT-HSZRJFAPSA-N 1 0 473.687 3.637 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccn3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001313879704 1071450651 /nfs/dbraw/zinc/45/06/51/1071450651.db2.gz ARXUVYIRPCALQE-SIKLNZKXSA-N 1 0 483.661 3.812 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001314966812 1071450846 /nfs/dbraw/zinc/45/08/46/1071450846.db2.gz VDBHNIHOCWZZAZ-HSZRJFAPSA-N 1 0 491.478 3.789 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2CCCc2cnn(C)c2)C[C@@H]1C ZINC001313882421 1071458477 /nfs/dbraw/zinc/45/84/77/1071458477.db2.gz FTIUQKKPKBUYIV-VQTJNVASSA-N 1 0 483.686 3.864 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H]2CSCCS2)C[C@H]1C ZINC001313882696 1071458922 /nfs/dbraw/zinc/45/89/22/1071458922.db2.gz GFRGMSLXIOSNSX-CEXWTWQISA-N 1 0 477.700 3.633 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313883123 1071460492 /nfs/dbraw/zinc/46/04/92/1071460492.db2.gz IHOKTKXAIQKCMR-YMQHIKHWSA-N 1 0 476.666 3.694 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313883121 1071460556 /nfs/dbraw/zinc/46/05/56/1071460556.db2.gz IHOKTKXAIQKCMR-QGLKVJOYSA-N 1 0 476.666 3.694 20 0 JHADRO CC[NH+]1CCC(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313883304 1071461385 /nfs/dbraw/zinc/46/13/85/1071461385.db2.gz RMRPHUSLSDYFKU-RUZDIDTESA-N 1 0 488.702 3.787 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](c3ccc(Cl)s3)C2)C1 ZINC001313883527 1071462045 /nfs/dbraw/zinc/46/20/45/1071462045.db2.gz IOQRUZYOCMBIRI-OKZBNKHCSA-N 1 0 484.066 3.637 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001313883492 1071462070 /nfs/dbraw/zinc/46/20/70/1071462070.db2.gz IDVYUYHYWBAMBK-QUCCMNQESA-N 1 0 489.064 3.766 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccccn3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313883546 1071462115 /nfs/dbraw/zinc/46/21/15/1071462115.db2.gz SYAMMSRRLYKGPT-OAQYLSRUSA-N 1 0 480.579 3.934 20 0 JHADRO 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JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCOC2CCCCCC2)C[C@@H]1C ZINC001313889408 1071479860 /nfs/dbraw/zinc/47/98/60/1071479860.db2.gz YBORVWUJEFAQKB-KGSLCBSSSA-N 1 0 463.667 3.660 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314980171 1071481262 /nfs/dbraw/zinc/48/12/62/1071481262.db2.gz ZHMSKZFQRBJALQ-JTPXSGRQSA-N 1 0 482.673 3.557 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(CC(C)C)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001314980418 1071482051 /nfs/dbraw/zinc/48/20/51/1071482051.db2.gz UOVOYGYDZOHQBM-FQEVSTJZSA-N 1 0 454.644 3.837 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H]2CCOC2)C1 ZINC001313890566 1071483259 /nfs/dbraw/zinc/48/32/59/1071483259.db2.gz NPSARRDLJBRVLM-SJORKVTESA-N 1 0 468.429 3.978 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(N(C)[C@H](C)c3cccc(O)c3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001313891153 1071484745 /nfs/dbraw/zinc/48/47/45/1071484745.db2.gz SZPLZJDNGCMVGA-OHUGHZGNSA-N 1 0 457.619 3.564 20 0 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20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001313893505 1071490248 /nfs/dbraw/zinc/49/02/48/1071490248.db2.gz NVEQBHOSUXMMBQ-GMKZXUHWSA-N 1 0 482.673 3.824 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001313893641 1071490773 /nfs/dbraw/zinc/49/07/73/1071490773.db2.gz PGWMMBQNYQBZFF-JUXOCIIHSA-N 1 0 496.027 3.857 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001313893644 1071491067 /nfs/dbraw/zinc/49/10/67/1071491067.db2.gz PGWMMBQNYQBZFF-SFGWALBWSA-N 1 0 496.027 3.857 20 0 JHADRO CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCCCC3)C2)n1 ZINC001314984542 1071491209 /nfs/dbraw/zinc/49/12/09/1071491209.db2.gz GCQBJIRBKABVPA-HXUWFJFHSA-N 1 0 484.693 3.529 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314986917 1071497340 /nfs/dbraw/zinc/49/73/40/1071497340.db2.gz DNNUKCIFNNSBJA-UYAOXDASSA-N 1 0 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496.578 3.519 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001313896636 1071500232 /nfs/dbraw/zinc/50/02/32/1071500232.db2.gz PGTHEENDGWAIFO-TZIWHRDSSA-N 1 0 457.619 3.698 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](COC)C1 ZINC001313897533 1071502808 /nfs/dbraw/zinc/50/28/08/1071502808.db2.gz XZLBKXYYBXCZNH-PZJWPPBQSA-N 1 0 457.619 3.698 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001313899724 1071508473 /nfs/dbraw/zinc/50/84/73/1071508473.db2.gz KBVSOLJCEIFNML-HXUWFJFHSA-N 1 0 456.635 3.523 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001313897981 1071504289 /nfs/dbraw/zinc/50/42/89/1071504289.db2.gz ZOHZNNJHQACLTL-MJGOQNOKSA-N 1 0 451.537 3.998 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](C)C1 ZINC001313898282 1071505208 /nfs/dbraw/zinc/50/52/08/1071505208.db2.gz PLEALDKTUDWHBJ-NQIIRXRSSA-N 1 0 459.038 3.972 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1 ZINC001313898315 1071505231 /nfs/dbraw/zinc/50/52/31/1071505231.db2.gz QJGMCKJKRIXTBI-UWHLTILDSA-N 1 0 476.666 3.601 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001313898824 1071505648 /nfs/dbraw/zinc/50/56/48/1071505648.db2.gz FOQCYOMNUDFZOD-HXUWFJFHSA-N 1 0 456.541 3.986 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001313898469 1071505946 /nfs/dbraw/zinc/50/59/46/1071505946.db2.gz DIJMCWODHJEABI-HSZRJFAPSA-N 1 0 497.688 3.974 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 ZINC001313898977 1071506704 /nfs/dbraw/zinc/50/67/04/1071506704.db2.gz FMHYNUWSXJYHTB-HBMCJLEFSA-N 1 0 476.666 3.697 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2cccc(Br)c2)C1 ZINC001313899671 1071507964 /nfs/dbraw/zinc/50/79/64/1071507964.db2.gz XCQRAHIGYDKDIN-DYXWJJEUSA-N 1 0 492.462 3.743 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313901691 1071511692 /nfs/dbraw/zinc/51/16/92/1071511692.db2.gz SRRBHLULGDVMOE-IFMALSPDSA-N 1 0 484.664 3.871 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001314995860 1071512897 /nfs/dbraw/zinc/51/28/97/1071512897.db2.gz CEUIDOIZIUOCBW-IFMALSPDSA-N 1 0 484.714 3.962 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001314995862 1071513030 /nfs/dbraw/zinc/51/30/30/1071513030.db2.gz CEUIDOIZIUOCBW-RBBKRZOGSA-N 1 0 484.714 3.962 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001313902514 1071514040 /nfs/dbraw/zinc/51/40/40/1071514040.db2.gz ZHPIFRCOGZLLOF-HXUWFJFHSA-N 1 0 493.574 3.904 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1nccs1 ZINC001313903638 1071515578 /nfs/dbraw/zinc/51/55/78/1071515578.db2.gz FDSBUKXEHCIEPG-FGTMMUONSA-N 1 0 475.663 3.626 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001313903784 1071516622 /nfs/dbraw/zinc/51/66/22/1071516622.db2.gz RYFWDPNFQJWFNS-ZWKOTPCHSA-N 1 0 452.525 3.681 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314998878 1071519268 /nfs/dbraw/zinc/51/92/68/1071519268.db2.gz XJIUFQCCCJDRMF-ISKFKSNPSA-N 1 0 466.674 3.680 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001313904686 1071519321 /nfs/dbraw/zinc/51/93/21/1071519321.db2.gz KNIAXAHTVPYQPJ-AHRSYUTCSA-N 1 0 462.436 3.789 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313906498 1071524166 /nfs/dbraw/zinc/52/41/66/1071524166.db2.gz ZNRYIQWGFMAZSV-FGZHOGPDSA-N 1 0 498.672 3.830 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313906249 1071524187 /nfs/dbraw/zinc/52/41/87/1071524187.db2.gz VRLCKOZLLLDAQV-XUVXKRRUSA-N 1 0 488.608 3.709 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001313906841 1071525851 /nfs/dbraw/zinc/52/58/51/1071525851.db2.gz SAEARAMCXSBWHB-IBGZPJMESA-N 1 0 466.552 3.946 20 0 JHADRO CNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001315000875 1071523440 /nfs/dbraw/zinc/52/34/40/1071523440.db2.gz SUWQNWFJMVDQKB-IBGZPJMESA-N 1 0 489.064 3.766 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001315002087 1071526529 /nfs/dbraw/zinc/52/65/29/1071526529.db2.gz RSCGQKJNQZDFPE-GOTSBHOMSA-N 1 0 480.701 3.784 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313907512 1071528114 /nfs/dbraw/zinc/52/81/14/1071528114.db2.gz HBPZMKJCUVZDQE-IEBWSBKVSA-N 1 0 489.462 3.639 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001313908664 1071531094 /nfs/dbraw/zinc/53/10/94/1071531094.db2.gz AOJOZYLMDXWJAK-NJDAHSKKSA-N 1 0 460.667 3.525 20 0 JHADRO CCn1cc(CN(C)c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCC[N@@H+]2CC)cn1 ZINC001313909034 1071531150 /nfs/dbraw/zinc/53/11/50/1071531150.db2.gz LZZHFOUCMOTTND-QFIPXVFZSA-N 1 0 451.619 3.893 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001313908381 1071530263 /nfs/dbraw/zinc/53/02/63/1071530263.db2.gz NFCYCYSXSYOGOZ-NRFANRHFSA-N 1 0 481.645 3.823 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCC2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 ZINC001313909988 1071533668 /nfs/dbraw/zinc/53/36/68/1071533668.db2.gz JBNLQMILVOHIQJ-OAQYLSRUSA-N 1 0 458.676 3.933 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313911107 1071536609 /nfs/dbraw/zinc/53/66/09/1071536609.db2.gz HNOVPCCEPMKGKB-VXKWHMMOSA-N 1 0 470.637 3.623 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313910755 1071536629 /nfs/dbraw/zinc/53/66/29/1071536629.db2.gz GRQVGMRJVJWFHM-FGZHOGPDSA-N 1 0 459.610 3.513 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313910221 1071534426 /nfs/dbraw/zinc/53/44/26/1071534426.db2.gz VXUKAJFRKVWOED-DHIUTWEWSA-N 1 0 497.688 3.974 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCNC(=O)C(C)C ZINC001313910124 1071534446 /nfs/dbraw/zinc/53/44/46/1071534446.db2.gz VDXVHFOXMYPLRN-LJQANCHMSA-N 1 0 477.053 3.690 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313910323 1071535123 /nfs/dbraw/zinc/53/51/23/1071535123.db2.gz VXUKAJFRKVWOED-PKTZIBPZSA-N 1 0 497.688 3.974 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001313911492 1071537742 /nfs/dbraw/zinc/53/77/42/1071537742.db2.gz CHLSRIBOPHIKRH-OALUTQOASA-N 1 0 458.611 3.702 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912214 1071539531 /nfs/dbraw/zinc/53/95/31/1071539531.db2.gz MXCDWDDDNVUCTO-NJYVYQBISA-N 1 0 476.666 3.745 20 0 JHADRO CCN1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](CC(C)C)[NH+](C)C)CC1=O ZINC001313913132 1071542357 /nfs/dbraw/zinc/54/23/57/1071542357.db2.gz IZXJUXFOLRANAT-FPOVZHCZSA-N 1 0 474.625 3.592 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(OC)cc1 ZINC001313914901 1071549204 /nfs/dbraw/zinc/54/92/04/1071549204.db2.gz OWCRMYIDGBADBF-XJUOHMSHSA-N 1 0 457.619 3.522 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313915238 1071549893 /nfs/dbraw/zinc/54/98/93/1071549893.db2.gz XBIRONJWBAACBI-DEOSSOPVSA-N 1 0 466.674 3.746 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccc3OC)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1=O ZINC001313915778 1071550925 /nfs/dbraw/zinc/55/09/25/1071550925.db2.gz LIUUVMCNGFYVHL-FGZHOGPDSA-N 1 0 482.673 3.770 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313915819 1071551389 /nfs/dbraw/zinc/55/13/89/1071551389.db2.gz TZTMYPHOQJZHRF-FNZWTVRRSA-N 1 0 487.645 3.978 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001315027956 1071554925 /nfs/dbraw/zinc/55/49/25/1071554925.db2.gz ZMHSOVUFAGWHCL-XMMPIXPASA-N 1 0 466.674 3.536 20 0 JHADRO CCN1CCCN(c2nnc(C(C)C)n2CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1=O ZINC001313918163 1071555685 /nfs/dbraw/zinc/55/56/85/1071555685.db2.gz YRLHDETXLVLQKY-JTHBVZDNSA-N 1 0 452.647 3.761 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315029191 1071558008 /nfs/dbraw/zinc/55/80/08/1071558008.db2.gz QIZQMDYRODHKLO-UHFFFAOYSA-N 1 0 452.603 3.776 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315029637 1071558332 /nfs/dbraw/zinc/55/83/32/1071558332.db2.gz DWKTWAFZGPATDA-CLOONOSVSA-N 1 0 475.081 3.995 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313921001 1071560594 /nfs/dbraw/zinc/56/05/94/1071560594.db2.gz NJWDTUCTUGKSEJ-GOSISDBHSA-N 1 0 478.563 3.679 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001315031447 1071560995 /nfs/dbraw/zinc/56/09/95/1071560995.db2.gz MYIWSDGKYXLAOE-GOSISDBHSA-N 1 0 491.478 3.648 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315031663 1071561645 /nfs/dbraw/zinc/56/16/45/1071561645.db2.gz UCAWSNMQWBYCIZ-PPHZAIPVSA-N 1 0 477.657 3.885 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001315032217 1071562669 /nfs/dbraw/zinc/56/26/69/1071562669.db2.gz CIPVLFYXEMEQMH-UHFFFAOYSA-N 1 0 497.471 3.714 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2cccs2)CC1 ZINC001313922388 1071564454 /nfs/dbraw/zinc/56/44/54/1071564454.db2.gz CYHKJGZHJGEAQC-NRFANRHFSA-N 1 0 495.697 3.871 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC=C(C)C2)CC1 ZINC001313922962 1071565737 /nfs/dbraw/zinc/56/57/37/1071565737.db2.gz ZAAHUMWSXJUNNU-RTWAWAEBSA-N 1 0 456.610 3.740 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001315034027 1071566019 /nfs/dbraw/zinc/56/60/19/1071566019.db2.gz XOFQKRWXPQBUHO-HNNXBMFYSA-N 1 0 453.418 3.556 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313924395 1071570201 /nfs/dbraw/zinc/57/02/01/1071570201.db2.gz DSSWZXGBFSSKLN-RTBURBONSA-N 1 0 498.569 3.658 20 0 JHADRO CCN1CCCN(c2nnc(CCCc3ccccc3)n2CCC[NH+]2CCC(C)CC2)CC1=O ZINC001313923068 1071566344 /nfs/dbraw/zinc/56/63/44/1071566344.db2.gz YBHXOHDIOLYIPM-UHFFFAOYSA-N 1 0 466.674 3.634 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315035677 1071568636 /nfs/dbraw/zinc/56/86/36/1071568636.db2.gz SYHXWJGDYSTRRL-UZUQRXQVSA-N 1 0 491.478 3.790 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001313924073 1071569031 /nfs/dbraw/zinc/56/90/31/1071569031.db2.gz YDTLWZSSYHHSLQ-RTWAWAEBSA-N 1 0 483.661 3.582 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313925372 1071573368 /nfs/dbraw/zinc/57/33/68/1071573368.db2.gz PFBJDODXQAFUPB-NHCUHLMSSA-N 1 0 484.689 3.861 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313925373 1071573399 /nfs/dbraw/zinc/57/33/99/1071573399.db2.gz PFBJDODXQAFUPB-RTWAWAEBSA-N 1 0 484.689 3.861 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313925371 1071573422 /nfs/dbraw/zinc/57/34/22/1071573422.db2.gz PFBJDODXQAFUPB-LEWJYISDSA-N 1 0 484.689 3.861 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313926351 1071576301 /nfs/dbraw/zinc/57/63/01/1071576301.db2.gz FECSUFLJDNDUDS-GOSISDBHSA-N 1 0 465.484 3.526 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001315056124 1071581042 /nfs/dbraw/zinc/58/10/42/1071581042.db2.gz AXSBUWCPRGPQKD-JOCHJYFZSA-N 1 0 497.688 3.563 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001315056132 1071581074 /nfs/dbraw/zinc/58/10/74/1071581074.db2.gz BAXILGKHFFNULI-KRWDZBQOSA-N 1 0 482.460 3.690 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001313926822 1071578096 /nfs/dbraw/zinc/57/80/96/1071578096.db2.gz YOSIDNOVBFUKMF-MRXNPFEDSA-N 1 0 476.000 3.696 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313926964 1071578134 /nfs/dbraw/zinc/57/81/34/1071578134.db2.gz GOUGLMFMUUUXPM-REWPJTCUSA-N 1 0 490.693 3.600 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC001313927185 1071579262 /nfs/dbraw/zinc/57/92/62/1071579262.db2.gz HLEGFJKPNJWCEK-OFNKIYASSA-N 1 0 472.653 3.610 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313927618 1071580584 /nfs/dbraw/zinc/58/05/84/1071580584.db2.gz KSHJRSMNZIVUJK-NFBKMPQASA-N 1 0 475.081 3.734 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCCC2)CC1 ZINC001313927538 1071580665 /nfs/dbraw/zinc/58/06/65/1071580665.db2.gz LXGQFRWGASLNES-JOCHJYFZSA-N 1 0 454.663 3.915 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313929085 1071586037 /nfs/dbraw/zinc/58/60/37/1071586037.db2.gz XLLVMFWZFTUHND-HSZRJFAPSA-N 1 0 477.657 3.531 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001315076376 1071587934 /nfs/dbraw/zinc/58/79/34/1071587934.db2.gz GMAAPCNWKVRHOZ-OAQYLSRUSA-N 1 0 483.657 3.743 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001313930092 1071588049 /nfs/dbraw/zinc/58/80/49/1071588049.db2.gz VBECXUWHJOHEBT-GOSISDBHSA-N 1 0 488.105 3.950 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCn2cccn2)C[C@@H]1C ZINC001313930393 1071589413 /nfs/dbraw/zinc/58/94/13/1071589413.db2.gz MFLKLTAJUYYSJY-RBUKOAKNSA-N 1 0 458.010 3.889 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)C[C@H]1C ZINC001313930930 1071591192 /nfs/dbraw/zinc/59/11/92/1071591192.db2.gz OHIDDHAUIJVCPS-RTBURBONSA-N 1 0 467.593 3.597 20 0 JHADRO COC(=O)[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001315088103 1071593123 /nfs/dbraw/zinc/59/31/23/1071593123.db2.gz LEPLMKWWJQOCTL-KBXCAEBGSA-N 1 0 496.837 3.701 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(C)nnc3N(C)Cc3ccccc3C(F)(F)F)cn2)CC1 ZINC001313931981 1071594064 /nfs/dbraw/zinc/59/40/64/1071594064.db2.gz FLGTXMLUICSJKA-UHFFFAOYSA-N 1 0 473.547 3.827 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2=CCCOC2)C[C@@H]1C ZINC001313933384 1071597802 /nfs/dbraw/zinc/59/78/02/1071597802.db2.gz LIWCXBQBNLJIKA-HNNXBMFYSA-N 1 0 464.383 3.724 20 0 JHADRO CCn1cnnc1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313933400 1071597820 /nfs/dbraw/zinc/59/78/20/1071597820.db2.gz OIRCKKXDOIIYJD-CQSZACIVSA-N 1 0 493.841 3.551 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCC[C@@H]2C)C[C@@H]1C ZINC001313932646 1071595761 /nfs/dbraw/zinc/59/57/61/1071595761.db2.gz IOGLMEFRSWBYQS-PONJGIIJSA-N 1 0 480.426 3.928 20 0 JHADRO CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1)C(C)C ZINC001313934170 1071601102 /nfs/dbraw/zinc/60/11/02/1071601102.db2.gz PUTHGFZDGFXZNP-UHFFFAOYSA-N 1 0 465.621 3.828 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCOCC(F)F)C[C@H]1C ZINC001313934304 1071601860 /nfs/dbraw/zinc/60/18/60/1071601860.db2.gz RCRPWFZMJKEEHZ-CYBMUJFWSA-N 1 0 476.341 3.659 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](OC)C(C)(C)C)C[C@@H]1C ZINC001313935434 1071604822 /nfs/dbraw/zinc/60/48/22/1071604822.db2.gz WIFOHOYYOLFEMH-MAUKXSAKSA-N 1 0 467.456 3.638 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(CC)CCCC2)C[C@H]1C ZINC001313935146 1071604905 /nfs/dbraw/zinc/60/49/05/1071604905.db2.gz XNXSJBLOMFENEL-HXUWFJFHSA-N 1 0 488.702 3.696 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCO[C@H]2C(C)C)C[C@H]1C ZINC001313935187 1071605491 /nfs/dbraw/zinc/60/54/91/1071605491.db2.gz FJXRTIJMJXVDGN-NMMYMHLASA-N 1 0 471.646 3.944 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2nccs2)C[C@H]1C ZINC001313935238 1071605548 /nfs/dbraw/zinc/60/55/48/1071605548.db2.gz GHZZLEWINFYJCU-CQSZACIVSA-N 1 0 477.432 3.751 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCO[C@@H]2C(C)C)C[C@@H]1C ZINC001313935874 1071607400 /nfs/dbraw/zinc/60/74/00/1071607400.db2.gz JYQOWSIQFKPVCX-SFYKDHMMSA-N 1 0 457.619 3.554 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2sc(C)nc2C)C[C@H]1C ZINC001313937495 1071611436 /nfs/dbraw/zinc/61/14/36/1071611436.db2.gz VKNPXMNGDMVXJR-MRXNPFEDSA-N 1 0 470.643 3.809 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC(=O)NC(C)(C)C)C[C@H]1C ZINC001313937511 1071611510 /nfs/dbraw/zinc/61/15/10/1071611510.db2.gz VPEUKJGYODFRDX-LJQANCHMSA-N 1 0 486.661 3.576 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2nccc(C(F)(F)F)n2)C[C@H]1C ZINC001313938315 1071612032 /nfs/dbraw/zinc/61/20/32/1071612032.db2.gz ZCGHLGHCWSXQQO-MRXNPFEDSA-N 1 0 475.519 3.536 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC2(COC)CCC2)C[C@@H]1C ZINC001313938258 1071612112 /nfs/dbraw/zinc/61/21/12/1071612112.db2.gz YHORJSHNGJKBGE-IBGZPJMESA-N 1 0 457.619 3.700 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313940344 1071614741 /nfs/dbraw/zinc/61/47/41/1071614741.db2.gz WCZGRACUBPUNFH-VQTJNVASSA-N 1 0 469.634 3.518 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313941434 1071617469 /nfs/dbraw/zinc/61/74/69/1071617469.db2.gz CYRIVVWZUNPISA-GOSISDBHSA-N 1 0 485.430 3.902 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313941435 1071617605 /nfs/dbraw/zinc/61/76/05/1071617605.db2.gz CYRIVVWZUNPISA-SFHVURJKSA-N 1 0 485.430 3.902 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313941841 1071618251 /nfs/dbraw/zinc/61/82/51/1071618251.db2.gz YBYQVWZJUPGFHG-RTBURBONSA-N 1 0 476.691 3.964 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccncc2Cl)C[C@H]1C ZINC001313942214 1071619615 /nfs/dbraw/zinc/61/96/15/1071619615.db2.gz GBOLSMVIYROPTO-QRQLOZEOSA-N 1 0 490.052 3.676 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCCC[C@H]3C)CC2)C1=O ZINC001313942170 1071619657 /nfs/dbraw/zinc/61/96/57/1071619657.db2.gz FEFVQOCZZDWKFE-OAQYLSRUSA-N 1 0 473.710 3.957 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001313942593 1071620828 /nfs/dbraw/zinc/62/08/28/1071620828.db2.gz KSDDBHXEDHLDDF-HXUWFJFHSA-N 1 0 466.655 3.774 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCCn2ccnc2C)C[C@@H]1C ZINC001313943468 1071622619 /nfs/dbraw/zinc/62/26/19/1071622619.db2.gz RYNDPMHUHANYJC-QFIPXVFZSA-N 1 0 465.646 3.990 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CCCCOc2ccc(F)cc2)C[C@H]1C ZINC001313945980 1071627796 /nfs/dbraw/zinc/62/77/96/1071627796.db2.gz MUWHFNFHOLWOEV-HXUWFJFHSA-N 1 0 452.578 3.793 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCCOC(C)C)C[C@@H]1C ZINC001313943460 1071623360 /nfs/dbraw/zinc/62/33/60/1071623360.db2.gz SQZYJBAAHJPWKG-NRFANRHFSA-N 1 0 451.619 3.866 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC(O)(CC)CC)C2)CC1 ZINC001313944800 1071625039 /nfs/dbraw/zinc/62/50/39/1071625039.db2.gz GNCTZIHCCPHOCM-ZEQRLZLVSA-N 1 0 498.716 3.802 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)C[NH+]3CCCCC3)CC2)C1=O ZINC001313947414 1071631683 /nfs/dbraw/zinc/63/16/83/1071631683.db2.gz LIJZNLLFCXFBKQ-OAQYLSRUSA-N 1 0 473.710 3.715 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001313947598 1071632282 /nfs/dbraw/zinc/63/22/82/1071632282.db2.gz IRVSTAHUKPKFGK-MRXNPFEDSA-N 1 0 483.444 3.609 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4OC)n3CC(C)(C)C(C)C)C2)CC1 ZINC001313947855 1071632956 /nfs/dbraw/zinc/63/29/56/1071632956.db2.gz CYGJKPFPLUSSOM-HSZRJFAPSA-N 1 0 468.690 3.776 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCC2(C)C)CC1 ZINC001313948677 1071634536 /nfs/dbraw/zinc/63/45/36/1071634536.db2.gz FOJOAZPZTYBDQP-QGZVFWFLSA-N 1 0 478.483 3.688 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC[C@@](C)(CC)O2)C[C@H]1C ZINC001313948950 1071635225 /nfs/dbraw/zinc/63/52/25/1071635225.db2.gz MPQMZPMSVVZKTD-RZTXVSJASA-N 1 0 457.619 3.744 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CO)CC2)CC1 ZINC001313949527 1071636306 /nfs/dbraw/zinc/63/63/06/1071636306.db2.gz JNMHGZCXPDQHQO-SFHVURJKSA-N 1 0 495.499 3.734 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313949529 1071636975 /nfs/dbraw/zinc/63/69/75/1071636975.db2.gz JOCFSLOQOQFPEW-IBGZPJMESA-N 1 0 473.463 3.708 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001313949727 1071637074 /nfs/dbraw/zinc/63/70/74/1071637074.db2.gz QVSQCJMPAQNLGC-IBGZPJMESA-N 1 0 458.676 3.572 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4csc(C)n4)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313950554 1071638882 /nfs/dbraw/zinc/63/88/82/1071638882.db2.gz VNVPZFHWMWOIBN-LEWJYISDSA-N 1 0 491.775 3.628 20 0 JHADRO CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001313952011 1071643826 /nfs/dbraw/zinc/64/38/26/1071643826.db2.gz CLZZZPUCYKYHOR-OAQYLSRUSA-N 1 0 491.725 3.512 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCCO[C@H](c4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313952527 1071645761 /nfs/dbraw/zinc/64/57/61/1071645761.db2.gz RJRQOGDGHNKMQM-VWNXMTODSA-N 1 0 468.690 3.817 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001313952443 1071645774 /nfs/dbraw/zinc/64/57/74/1071645774.db2.gz QEDBXBJZVCWPCD-VJBWXMMDSA-N 1 0 484.689 3.764 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3Cl)nnc2N2CCSC[C@@H]2C)CC1 ZINC001313953631 1071648887 /nfs/dbraw/zinc/64/88/87/1071648887.db2.gz JSAYRUJGSPSSBB-IBGZPJMESA-N 1 0 463.095 3.958 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3C)nnc2N(C)CC(F)(F)F)CC1 ZINC001313953669 1071649485 /nfs/dbraw/zinc/64/94/85/1071649485.db2.gz HJNDAQIYDDUEAM-UHFFFAOYSA-N 1 0 452.569 3.594 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001313955926 1071656852 /nfs/dbraw/zinc/65/68/52/1071656852.db2.gz WEKCRGUPQIFGNV-PZJWPPBQSA-N 1 0 494.606 3.711 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccnc3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313956211 1071657323 /nfs/dbraw/zinc/65/73/23/1071657323.db2.gz XTNXRSNGPGXWQU-GOTSBHOMSA-N 1 0 461.658 3.854 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3F)nnc2N(C)Cc2nccs2)CC1 ZINC001313955058 1071654132 /nfs/dbraw/zinc/65/41/32/1071654132.db2.gz RVHNXLYVKDMDHH-UHFFFAOYSA-N 1 0 457.623 3.595 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313955056 1071654166 /nfs/dbraw/zinc/65/41/66/1071654166.db2.gz DWHRZPDXSSXEMY-NRFANRHFSA-N 1 0 464.658 3.989 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313956155 1071657474 /nfs/dbraw/zinc/65/74/74/1071657474.db2.gz BJCNAKLOJRCAQS-NRFANRHFSA-N 1 0 480.579 3.601 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC001313956862 1071658859 /nfs/dbraw/zinc/65/88/59/1071658859.db2.gz NZVGRRMIWWBOCP-HSZRJFAPSA-N 1 0 481.733 3.694 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313957797 1071661342 /nfs/dbraw/zinc/66/13/42/1071661342.db2.gz IVXRDENQKDUHEH-NRFANRHFSA-N 1 0 463.095 3.958 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313957935 1071661881 /nfs/dbraw/zinc/66/18/81/1071661881.db2.gz SKKQYDTUBHQTDX-AQNXPRMDSA-N 1 0 460.617 3.513 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](COC)C2)CC1 ZINC001313956006 1071657381 /nfs/dbraw/zinc/65/73/81/1071657381.db2.gz XAGUZFKSJMOCRK-SFTDATJTSA-N 1 0 475.081 3.735 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313958469 1071664070 /nfs/dbraw/zinc/66/40/70/1071664070.db2.gz XCIKGDCSGURNBY-CYFREDJKSA-N 1 0 459.708 3.534 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313958842 1071665062 /nfs/dbraw/zinc/66/50/62/1071665062.db2.gz YIHQRABJXGPRMC-RTWAWAEBSA-N 1 0 467.687 3.796 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(C)CC2)CC1 ZINC001313958990 1071665686 /nfs/dbraw/zinc/66/56/86/1071665686.db2.gz ZRMADMQIKYLXBH-UHFFFAOYSA-N 1 0 461.054 3.871 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313962338 1071674577 /nfs/dbraw/zinc/67/45/77/1071674577.db2.gz ITKIYTYCOABNFF-SLFFLAALSA-N 1 0 465.646 3.743 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001313961510 1071672871 /nfs/dbraw/zinc/67/28/71/1071672871.db2.gz UPOFIOPBFFVETF-RLWLMLJZSA-N 1 0 488.652 3.590 20 0 JHADRO CCn1nc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313966693 1071687294 /nfs/dbraw/zinc/68/72/94/1071687294.db2.gz KPVLXDVLBCSDKN-MHZLTWQESA-N 1 0 495.672 3.801 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001313968223 1071691418 /nfs/dbraw/zinc/69/14/18/1071691418.db2.gz XNAQLQJSTXOUPC-UHFFFAOYSA-N 1 0 468.646 3.571 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001313968981 1071693205 /nfs/dbraw/zinc/69/32/05/1071693205.db2.gz HAXAWJYYVNZYQA-FQEVSTJZSA-N 1 0 452.647 3.809 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313976675 1071709034 /nfs/dbraw/zinc/70/90/34/1071709034.db2.gz HPJJVTBTCOFHEO-YMPZKCBVSA-N 1 0 482.673 3.781 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313999729 1071737027 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CCc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001305948100 1068267716 /nfs/dbraw/zinc/26/77/16/1068267716.db2.gz QHONORCRDGYEME-NRFANRHFSA-N 1 0 452.647 3.544 20 0 JHADRO CCc1ccc(-c2nnc(N3CCO[C@]4(CCOC4)C3)n2CC[N@@H+](CC)CCC(F)(F)F)cc1 ZINC001305950269 1068273379 /nfs/dbraw/zinc/27/33/79/1068273379.db2.gz JIULRWHHJNOJSN-HSZRJFAPSA-N 1 0 481.563 3.778 20 0 JHADRO CCc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC001305950526 1068274246 /nfs/dbraw/zinc/27/42/46/1068274246.db2.gz SQQIGKMQASOPNJ-YKSBVNFPSA-N 1 0 455.647 3.870 20 0 JHADRO CCc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001305954841 1068280940 /nfs/dbraw/zinc/28/09/40/1068280940.db2.gz KLRXAKYTBXPBLW-XZOQPEGZSA-N 1 0 457.688 3.932 20 0 JHADRO CN(CC[C@@H]1CCCCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C(=O)OC(C)(C)C ZINC001305963873 1068296812 /nfs/dbraw/zinc/29/68/12/1068296812.db2.gz FFRUHFYCPHOGLJ-QHCPKHFHSA-N 1 0 458.647 3.686 20 0 JHADRO CCc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)s1 ZINC001305967010 1068300658 /nfs/dbraw/zinc/30/06/58/1068300658.db2.gz TYJNJHICONPWPL-AUSIDOKSSA-N 1 0 486.730 3.918 20 0 JHADRO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2ccc(C)o2)n1CC1([NH+](C)C)CCC1 ZINC001305971411 1068306512 /nfs/dbraw/zinc/30/65/12/1068306512.db2.gz PDZSGAINBYXVEZ-UHFFFAOYSA-N 1 0 450.587 3.968 20 0 JHADRO CCc1ccccc1NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001305974504 1068310403 /nfs/dbraw/zinc/31/04/03/1068310403.db2.gz MHVIRLVSIBHMHI-QHCPKHFHSA-N 1 0 495.716 3.845 20 0 JHADRO CCc1ccccc1NC(=O)CN(C)c1nnc(C2CCC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001305974554 1068311023 /nfs/dbraw/zinc/31/10/23/1068311023.db2.gz LGWKDVKIPWXEEL-QFIPXVFZSA-N 1 0 468.646 3.540 20 0 JHADRO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2cccc(C)n2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305975991 1068314608 /nfs/dbraw/zinc/31/46/08/1068314608.db2.gz ZMLRJPLEDSJWBS-SANMLTNESA-N 1 0 493.681 3.723 20 0 JHADRO CCc1ccccc1OCc1nnc(N(C)Cc2ccccn2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305977126 1068316993 /nfs/dbraw/zinc/31/69/93/1068316993.db2.gz VVHVLALJJNCDLD-RUZDIDTESA-N 1 0 466.655 3.888 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001305979991 1068323404 /nfs/dbraw/zinc/32/34/04/1068323404.db2.gz SENNGRYSWDKFIJ-LYZGTLIUSA-N 1 0 496.700 3.892 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1CC(C)(C)C[NH+](C)C ZINC001305981027 1068324953 /nfs/dbraw/zinc/32/49/53/1068324953.db2.gz FJMCCTUQMCKQLS-FYQCMVGJSA-N 1 0 485.673 3.780 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305981514 1068325684 /nfs/dbraw/zinc/32/56/84/1068325684.db2.gz NZLLNPHYQRINAA-URXFXBBRSA-N 1 0 485.673 3.516 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305981513 1068325710 /nfs/dbraw/zinc/32/57/10/1068325710.db2.gz NZLLNPHYQRINAA-QPPBQGQZSA-N 1 0 485.673 3.516 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@@H](CC)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305981359 1068325773 /nfs/dbraw/zinc/32/57/73/1068325773.db2.gz GLGSZTOACTWLIO-QYXIYQDXSA-N 1 0 473.687 3.861 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305982709 1068327999 /nfs/dbraw/zinc/32/79/99/1068327999.db2.gz MPNSZRQLNUMPAU-FUPPJEDESA-N 1 0 455.647 3.749 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCC(CO)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305982901 1068328904 /nfs/dbraw/zinc/32/89/04/1068328904.db2.gz KNMFEZFTPWVLHN-RTWAWAEBSA-N 1 0 455.647 3.749 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCC[C@@H]2CC)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305984406 1068331822 /nfs/dbraw/zinc/33/18/22/1068331822.db2.gz FRXNJWSLRLOGQU-QFIPXVFZSA-N 1 0 454.663 3.824 20 0 JHADRO CCc1noc(C)c1Cn1c(COc2ccccc2CC)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001305984665 1068332423 /nfs/dbraw/zinc/33/24/23/1068332423.db2.gz AADAIESKTNYOEY-GOSISDBHSA-N 1 0 452.603 3.857 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305984947 1068333170 /nfs/dbraw/zinc/33/31/70/1068333170.db2.gz UIXVKZRFWMHTSS-WFXMLNOXSA-N 1 0 481.563 3.917 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305984942 1068333327 /nfs/dbraw/zinc/33/33/27/1068333327.db2.gz UIXVKZRFWMHTSS-UEXGIBASSA-N 1 0 481.563 3.917 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305984944 1068333544 /nfs/dbraw/zinc/33/35/44/1068333544.db2.gz UIXVKZRFWMHTSS-WAOWUJCRSA-N 1 0 481.563 3.917 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCC[NH+]1CCCC1 ZINC001305988151 1068343518 /nfs/dbraw/zinc/34/35/18/1068343518.db2.gz YRAQVZRTPUBLAO-FQEVSTJZSA-N 1 0 494.606 3.978 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305988489 1068345544 /nfs/dbraw/zinc/34/55/44/1068345544.db2.gz AXTGOWYAHXPJAT-LEWJYISDSA-N 1 0 487.714 3.985 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCSC[C@@H]2C)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001305989586 1068348157 /nfs/dbraw/zinc/34/81/57/1068348157.db2.gz IOIMMMQKSQRQBJ-YADHBBJMSA-N 1 0 486.730 3.635 20 0 JHADRO CCc1cnc(CN(C)c2nnc(Cc3ccc(F)cc3)n2CC2([NH+](C)C)CCOCC2)s1 ZINC001305995720 1068359594 /nfs/dbraw/zinc/35/95/94/1068359594.db2.gz MPLQVBOFSDHNOO-UHFFFAOYSA-N 1 0 472.634 3.774 20 0 JHADRO CCc1cnc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)s1 ZINC001305997371 1068364485 /nfs/dbraw/zinc/36/44/85/1068364485.db2.gz OKYSQUCHYFNMJB-INIZCTEOSA-N 1 0 456.616 3.560 20 0 JHADRO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCCCC2)s1 ZINC001306002671 1068376876 /nfs/dbraw/zinc/37/68/76/1068376876.db2.gz MWMQESBGKYGTHE-NEWSRXKRSA-N 1 0 473.691 3.876 20 0 JHADRO CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3cccn3C)n2CC[NH+]2CCSCC2)s1 ZINC001306002721 1068376891 /nfs/dbraw/zinc/37/68/91/1068376891.db2.gz NBFIDZMKWSYEEH-KRWDZBQOSA-N 1 0 459.689 3.857 20 0 JHADRO CCc1nc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cs1 ZINC001306011617 1068394060 /nfs/dbraw/zinc/39/40/60/1068394060.db2.gz LDXPCLNCSKMZGL-UHFFFAOYSA-N 1 0 496.685 3.745 20 0 JHADRO CCc1nc(CCn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)no1 ZINC001306017835 1068403284 /nfs/dbraw/zinc/40/32/84/1068403284.db2.gz KARODPHXBHLWFP-JKSUJKDBSA-N 1 0 474.009 3.714 20 0 JHADRO CCc1nc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cs1 ZINC001306026162 1068420957 /nfs/dbraw/zinc/42/09/57/1068420957.db2.gz SNWDAGBRVTYXLP-IBGZPJMESA-N 1 0 482.658 3.701 20 0 JHADRO CCc1nn(C)c(CC)c1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001306042462 1068458728 /nfs/dbraw/zinc/45/87/28/1068458728.db2.gz BPEUMORUQOOOPQ-UHFFFAOYSA-N 1 0 495.672 3.789 20 0 JHADRO CCc1nn(C)c(CC)c1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001306044221 1068463445 /nfs/dbraw/zinc/46/34/45/1068463445.db2.gz YRVCDSNQZQMPTQ-RTBURBONSA-N 1 0 465.646 3.779 20 0 JHADRO CC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 ZINC001306057360 1068494325 /nfs/dbraw/zinc/49/43/25/1068494325.db2.gz PRDNVOXRQUATIG-UWJYYQICSA-N 1 0 454.409 3.742 20 0 JHADRO CCc1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001306063298 1068502595 /nfs/dbraw/zinc/50/25/95/1068502595.db2.gz IOVPWNMXNHIBFC-FXAWDEMLSA-N 1 0 488.683 3.584 20 0 JHADRO CCc1nnc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001306063566 1068503038 /nfs/dbraw/zinc/50/30/38/1068503038.db2.gz JMMMZKRHXHSAFT-MYGHRHJXSA-N 1 0 457.669 3.895 20 0 JHADRO CCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001306070996 1068505680 /nfs/dbraw/zinc/50/56/80/1068505680.db2.gz OEUUQSASURVSDM-PZJWPPBQSA-N 1 0 456.635 3.712 20 0 JHADRO CCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001306092770 1068516602 /nfs/dbraw/zinc/51/66/02/1068516602.db2.gz QCRIFNNQWPXVMT-XYURVEJXSA-N 1 0 486.064 3.654 20 0 JHADRO CCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001306118463 1068525559 /nfs/dbraw/zinc/52/55/59/1068525559.db2.gz HXHRLANZSIAWQS-FQEVSTJZSA-N 1 0 453.635 3.664 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001306120733 1068529153 /nfs/dbraw/zinc/52/91/53/1068529153.db2.gz SSKBQNAUCDEHPP-QGZVFWFLSA-N 1 0 480.579 3.865 20 0 JHADRO CCc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001306121106 1068529966 /nfs/dbraw/zinc/52/99/66/1068529966.db2.gz OHFCLEAHCLXCOU-QGZVFWFLSA-N 1 0 491.480 3.777 20 0 JHADRO CCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001306133711 1068536495 /nfs/dbraw/zinc/53/64/95/1068536495.db2.gz HMBQXDPMYXXANA-FQEVSTJZSA-N 1 0 474.625 3.805 20 0 JHADRO CCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CC(=O)N(C)Cc1ccccc1 ZINC001306134110 1068536877 /nfs/dbraw/zinc/53/68/77/1068536877.db2.gz JOOVZPJBQIMYDX-JOCHJYFZSA-N 1 0 466.674 3.980 20 0 JHADRO CCc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001306140909 1068541790 /nfs/dbraw/zinc/54/17/90/1068541790.db2.gz BBSUXKWONLQXKG-JOCHJYFZSA-N 1 0 494.606 3.572 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001306140989 1068542343 /nfs/dbraw/zinc/54/23/43/1068542343.db2.gz AUZICPOZKWXRIR-GOSISDBHSA-N 1 0 458.676 3.874 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001306143744 1068545834 /nfs/dbraw/zinc/54/58/34/1068545834.db2.gz LGDAYEQPFLJKGH-HXUWFJFHSA-N 1 0 467.643 3.995 20 0 JHADRO CCc1nnc(N2CCC(Nc3cc(OC)cc(OC)c3)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001306144453 1068546947 /nfs/dbraw/zinc/54/69/47/1068546947.db2.gz SPVKDPSVVVASSW-UHFFFAOYSA-N 1 0 456.635 3.813 20 0 JHADRO CCc1nnc(N2CCC(Oc3c(OC)cccc3OC)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001306145848 1068548682 /nfs/dbraw/zinc/54/86/82/1068548682.db2.gz BKWQGJMNLMQRAT-LJQANCHMSA-N 1 0 457.619 3.637 20 0 JHADRO CCc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001306163888 1068559023 /nfs/dbraw/zinc/55/90/23/1068559023.db2.gz DBSBWRQVYHWEPL-UGKGYDQZSA-N 1 0 466.655 3.851 20 0 JHADRO CCc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001306172117 1068566890 /nfs/dbraw/zinc/56/68/90/1068566890.db2.gz WZKGMAXTPXHKPI-DNQXCXABSA-N 1 0 466.674 3.884 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306179986 1068570547 /nfs/dbraw/zinc/57/05/47/1068570547.db2.gz KOFXDSBJHLUCRT-ZEQRLZLVSA-N 1 0 480.701 3.880 20 0 JHADRO CCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001306180243 1068571130 /nfs/dbraw/zinc/57/11/30/1068571130.db2.gz HJJUOIZHEMYSHW-HXUWFJFHSA-N 1 0 480.579 3.761 20 0 JHADRO CCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1c(C)sc(C)c1Br ZINC001306182078 1068573140 /nfs/dbraw/zinc/57/31/40/1068573140.db2.gz DJTZTPMWFWMOLY-QGZVFWFLSA-N 1 0 482.492 3.878 20 0 JHADRO CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001306184463 1068574871 /nfs/dbraw/zinc/57/48/71/1068574871.db2.gz CBDQKESOJBNNCZ-FQEVSTJZSA-N 1 0 458.676 3.824 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306186129 1068577392 /nfs/dbraw/zinc/57/73/92/1068577392.db2.gz PFSDWPVNBZTCMJ-DFBJGRDBSA-N 1 0 473.065 3.967 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001306187867 1068579821 /nfs/dbraw/zinc/57/98/21/1068579821.db2.gz OQORPZWATSXBJY-HSZRJFAPSA-N 1 0 468.646 3.667 20 0 JHADRO CCc1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001306196143 1068588308 /nfs/dbraw/zinc/58/83/08/1068588308.db2.gz OPUGFYFZCOGWSG-UHFFFAOYSA-N 1 0 454.663 3.673 20 0 JHADRO CCc1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001306201210 1068592271 /nfs/dbraw/zinc/59/22/71/1068592271.db2.gz UWMOARQJFFYRGK-UHFFFAOYSA-N 1 0 452.647 3.712 20 0 JHADRO CCc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1Cc1ccc(Cl)s1 ZINC001306207039 1068598351 /nfs/dbraw/zinc/59/83/51/1068598351.db2.gz HRALVLFXDWZGNY-UHFFFAOYSA-N 1 0 451.946 3.695 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1C[C@@H](C)[NH+](CC)CC ZINC001306213625 1068602057 /nfs/dbraw/zinc/60/20/57/1068602057.db2.gz CVHDLHDXPAXLCU-APWZRJJASA-N 1 0 450.425 3.911 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001306214175 1068602850 /nfs/dbraw/zinc/60/28/50/1068602850.db2.gz GODKLWISMCIEMQ-OPYAIIAOSA-N 1 0 492.462 3.680 20 0 JHADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001306226811 1068611879 /nfs/dbraw/zinc/61/18/79/1068611879.db2.gz ZKZZCHNPKAXSNK-UNMCSNQZSA-N 1 0 484.645 3.790 20 0 JHADRO CCc1noc([C@H](C)N2CCN(c3nnc([C@@H](C)CC)n3C[C@@H](C(C)C)[NH+]3CCCC3)CC2)n1 ZINC001306230304 1068616356 /nfs/dbraw/zinc/61/63/56/1068616356.db2.gz QERKSJIQCWPAHK-ACRUOGEOSA-N 1 0 472.682 3.741 20 0 JHADRO CCc1noc([C@@H](C)N2CCN(c3nnc([C@@H](C)CC)n3CC[N@@H+]3CCCC(C)(C)C3)CC2)n1 ZINC001306230962 1068616909 /nfs/dbraw/zinc/61/69/09/1068616909.db2.gz XCZVXQQAVSAGNU-VQTJNVASSA-N 1 0 472.682 3.742 20 0 JHADRO CCc1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3[N@H+](C)CCCC3(C)C)CC2)n1 ZINC001306231029 1068617609 /nfs/dbraw/zinc/61/76/09/1068617609.db2.gz XXNQUAVMRMMRHX-RTBURBONSA-N 1 0 472.682 3.525 20 0 JHADRO CCc1noc([C@@H](C)N2CCN(c3nnc(-c4ccccc4C)n3CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001306231552 1068619179 /nfs/dbraw/zinc/61/91/79/1068619179.db2.gz IHGUCGGALMDTDR-HXUWFJFHSA-N 1 0 480.661 3.670 20 0 JHADRO CCc1noc([C@@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@H](C3CCCCC3)[NH+](C)C)CC2)n1 ZINC001306232066 1068620752 /nfs/dbraw/zinc/62/07/52/1068620752.db2.gz OYCNORLNYBTMDX-IFMALSPDSA-N 1 0 486.709 3.816 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)C[NH+](C)C ZINC001306246646 1068654691 /nfs/dbraw/zinc/65/46/91/1068654691.db2.gz UZBGNLHHOFTQRS-AZUAARDMSA-N 1 0 491.080 3.991 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001306246816 1068654708 /nfs/dbraw/zinc/65/47/08/1068654708.db2.gz IUFJNPBJMWFTNN-YLJYHZDGSA-N 1 0 476.572 3.526 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306257248 1068663945 /nfs/dbraw/zinc/66/39/45/1068663945.db2.gz LGCAAICGEZNCDE-MQSCRBSSSA-N 1 0 496.700 3.945 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCC[NH+]1CCC(C)CC1 ZINC001306257288 1068664624 /nfs/dbraw/zinc/66/46/24/1068664624.db2.gz MDXLAPFOQDOOOV-XMMPIXPASA-N 1 0 482.673 3.701 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001306258318 1068665858 /nfs/dbraw/zinc/66/58/58/1068665858.db2.gz AGJFBKWNDNPCMN-PMACEKPBSA-N 1 0 486.686 3.558 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H](C)OCCOC)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001306260070 1068669373 /nfs/dbraw/zinc/66/93/73/1068669373.db2.gz JZNJKZCQJUVSSE-QHAWAJNXSA-N 1 0 465.708 3.989 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H](C)OCCOC)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001306260067 1068669479 /nfs/dbraw/zinc/66/94/79/1068669479.db2.gz JZNJKZCQJUVSSE-NJDAHSKKSA-N 1 0 465.708 3.989 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001306260753 1068669975 /nfs/dbraw/zinc/66/99/75/1068669975.db2.gz QIBOEMOPMBENDB-NFBKMPQASA-N 1 0 468.646 3.564 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306261564 1068671970 /nfs/dbraw/zinc/67/19/70/1068671970.db2.gz SQDVAJMMTWYIGJ-RZUBCFFCSA-N 1 0 470.687 3.714 20 0 JHADRO CC[C@H]1[C@@H](C)CCN1c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+](C)CCOC ZINC001306265519 1068679418 /nfs/dbraw/zinc/67/94/18/1068679418.db2.gz WHNNMUUIIMSVFM-WMZOPIPTSA-N 1 0 467.456 3.639 20 0 JHADRO CC[C@H]1[C@@H](C)CCN1c1nnc(-c2ccccc2Br)n1CCOCC[NH+](C)C ZINC001306268863 1068682592 /nfs/dbraw/zinc/68/25/92/1068682592.db2.gz JLFOBKVQFQYXRZ-LPHOPBHVSA-N 1 0 450.425 3.911 20 0 JHADRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc(OC)c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001306286072 1068704231 /nfs/dbraw/zinc/70/42/31/1068704231.db2.gz KATAWWLXKPOWRJ-XKCSPQBFSA-N 1 0 468.646 3.521 20 0 JHADRO CC[C@H]1C[C@H](C)CN1c1nnc(-c2ccc(Br)cc2)n1CC[N@H+](C)CCOC ZINC001306287315 1068705424 /nfs/dbraw/zinc/70/54/24/1068705424.db2.gz OGBRHVVHRBSCHZ-LPHOPBHVSA-N 1 0 450.425 3.911 20 0 JHADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(OC)cc2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001306292733 1068709666 /nfs/dbraw/zinc/70/96/66/1068709666.db2.gz WZYUGQRBCIFIGO-FYYLOGMGSA-N 1 0 454.663 3.996 20 0 JHADRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCSCC1 ZINC001306296524 1068713849 /nfs/dbraw/zinc/71/38/49/1068713849.db2.gz RZZYKBJWXLIYOP-GOEBONIOSA-N 1 0 453.454 3.709 20 0 JHADRO CC[C@@H]1C[C@H](C)CN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)(C)C ZINC001306301239 1068717935 /nfs/dbraw/zinc/71/79/35/1068717935.db2.gz VBUBJEXMCJLHCR-XZOQPEGZSA-N 1 0 495.716 3.572 20 0 JHADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001306304950 1068722033 /nfs/dbraw/zinc/72/20/33/1068722033.db2.gz XRFFLDDRQSFSQI-PCCBWWKXSA-N 1 0 480.723 3.559 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306316268 1068735747 /nfs/dbraw/zinc/73/57/47/1068735747.db2.gz DHQAZPLMABBUOE-AZUAARDMSA-N 1 0 490.446 3.971 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(OC)c2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001306318757 1068742874 /nfs/dbraw/zinc/74/28/74/1068742874.db2.gz PNQCVBSXLMBPLT-QHCPKHFHSA-N 1 0 468.646 3.571 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001306318820 1068743505 /nfs/dbraw/zinc/74/35/05/1068743505.db2.gz IHONJFUCCJPWBS-NRFANRHFSA-N 1 0 498.672 3.674 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306319146 1068744180 /nfs/dbraw/zinc/74/41/80/1068744180.db2.gz JMJMEPFGDKQABJ-IEBWSBKVSA-N 1 0 498.093 3.741 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001306319729 1068746621 /nfs/dbraw/zinc/74/66/21/1068746621.db2.gz VQYZJFDLZOZLGQ-HBMCJLEFSA-N 1 0 460.667 3.969 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CCc1ccccc1 ZINC001306321584 1068751620 /nfs/dbraw/zinc/75/16/20/1068751620.db2.gz FRSKVSRPCJNFFR-GOTSBHOMSA-N 1 0 473.687 3.514 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001306323095 1068755869 /nfs/dbraw/zinc/75/58/69/1068755869.db2.gz KIPSGVKHHDQSMT-FGZHOGPDSA-N 1 0 457.667 3.656 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306325233 1068762010 /nfs/dbraw/zinc/76/20/10/1068762010.db2.gz SZDDGASCYSOBDY-XZOQPEGZSA-N 1 0 497.688 3.974 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCC[C@@](C)(OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001306326576 1068764917 /nfs/dbraw/zinc/76/49/17/1068764917.db2.gz ZUGOTWCJTBZBEA-NQHRYMMQSA-N 1 0 463.667 3.589 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCC[C@@](C)(OC)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306326577 1068765001 /nfs/dbraw/zinc/76/50/01/1068765001.db2.gz ZUGOTWCJTBZBEA-SDUSCBPUSA-N 1 0 463.667 3.589 20 0 JHADRO CC[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCC[NH+]2CCOCC2)C1 ZINC001306328140 1068767020 /nfs/dbraw/zinc/76/70/20/1068767020.db2.gz IERSKYCAVPUHIH-HXUWFJFHSA-N 1 0 457.619 3.701 20 0 JHADRO CC[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCC[NH+](C)C)C1 ZINC001306334836 1068771585 /nfs/dbraw/zinc/77/15/85/1068771585.db2.gz CWYZBEFZXUTVNE-RTWAWAEBSA-N 1 0 478.682 3.597 20 0 JHADRO CC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001306337544 1068774169 /nfs/dbraw/zinc/77/41/69/1068774169.db2.gz QQPOLQFIBIILNS-XJUOHMSHSA-N 1 0 473.687 3.717 20 0 JHADRO CC[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001306338238 1068775322 /nfs/dbraw/zinc/77/53/22/1068775322.db2.gz MUWVFNADKWQTKL-JOCHJYFZSA-N 1 0 454.663 3.552 20 0 JHADRO CC[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001306363063 1068798951 /nfs/dbraw/zinc/79/89/51/1068798951.db2.gz QFHVCDDPWHOKOO-OALUTQOASA-N 1 0 475.479 3.970 20 0 JHADRO CC[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001306363761 1068799825 /nfs/dbraw/zinc/79/98/25/1068799825.db2.gz YPIMPZBYCOPDGZ-UXHICEINSA-N 1 0 487.645 3.708 20 0 JHADRO CC[C@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001306365759 1068801434 /nfs/dbraw/zinc/80/14/34/1068801434.db2.gz APPJFPOMBVHDDQ-FQEVSTJZSA-N 1 0 471.646 3.824 20 0 JHADRO CC[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC[N@H+](CC)CCC(F)(F)F)C1 ZINC001306370957 1068804728 /nfs/dbraw/zinc/80/47/28/1068804728.db2.gz HSSSBVSKPABUPP-HNNXBMFYSA-N 1 0 456.513 3.516 20 0 JHADRO CC[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001306372047 1068805315 /nfs/dbraw/zinc/80/53/15/1068805315.db2.gz PZYBPCYQUHGYPD-LJQANCHMSA-N 1 0 451.619 3.547 20 0 JHADRO CC[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001306372039 1068805338 /nfs/dbraw/zinc/80/53/38/1068805338.db2.gz PYBHQJUNXOIUMU-VQTJNVASSA-N 1 0 465.646 3.888 20 0 JHADRO CC[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](CC)C(C)C)C1 ZINC001306372805 1068805714 /nfs/dbraw/zinc/80/57/14/1068805714.db2.gz DJHLJDBVZVCFLI-PMACEKPBSA-N 1 0 464.655 3.553 20 0 JHADRO CC[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](CC)C(C)C)C1 ZINC001306372807 1068805959 /nfs/dbraw/zinc/80/59/59/1068805959.db2.gz DJHLJDBVZVCFLI-VQTJNVASSA-N 1 0 464.655 3.553 20 0 JHADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC)CC1 ZINC001306373952 1068807257 /nfs/dbraw/zinc/80/72/57/1068807257.db2.gz LRAGBWXRXLCQEE-FPOVZHCZSA-N 1 0 478.682 3.943 20 0 JHADRO CCC1CCN(c2nnc(COc3ccccc3F)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001306382014 1068813529 /nfs/dbraw/zinc/81/35/29/1068813529.db2.gz UCFGTZDRMMBOTC-UHFFFAOYSA-N 1 0 458.626 3.650 20 0 JHADRO 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CC/C=C/Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001306490841 1069029247 /nfs/dbraw/zinc/02/92/47/1069029247.db2.gz UWGFMERMCXTCFB-SNAWJCMRSA-N 1 0 470.021 3.923 20 0 JHADRO CC[NH+]1CCN(c2cccc(NC(=O)NCCC3=CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 ZINC001310596468 1069040108 /nfs/dbraw/zinc/04/01/08/1069040108.db2.gz KUOGVWTYIMASEL-UHFFFAOYSA-N 1 0 457.619 3.907 20 0 JHADRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3=O)c2)CC1 ZINC001310597469 1069041122 /nfs/dbraw/zinc/04/11/22/1069041122.db2.gz RVCKNELGTACPFZ-FQEVSTJZSA-N 1 0 459.953 3.548 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001306499728 1069057061 /nfs/dbraw/zinc/05/70/61/1069057061.db2.gz DLYOQRQPWOHEDG-MQSCRBSSSA-N 1 0 467.662 3.593 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306499962 1069057795 /nfs/dbraw/zinc/05/77/95/1069057795.db2.gz YJBRPLUHUODKHP-NRFANRHFSA-N 1 0 470.687 3.658 20 0 JHADRO Cc1ccnc(-n2nccc2NC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001310617641 1069061369 /nfs/dbraw/zinc/06/13/69/1069061369.db2.gz KHRYJYHKBCIQMP-UHFFFAOYSA-N 1 0 453.978 3.563 20 0 JHADRO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001310620263 1069063080 /nfs/dbraw/zinc/06/30/80/1069063080.db2.gz BKTAKJDDJNLVCV-UHFFFAOYSA-N 1 0 455.578 3.944 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001306501600 1069065578 /nfs/dbraw/zinc/06/55/78/1069065578.db2.gz GOGIJQPEDYMSSF-YTFSRNRJSA-N 1 0 474.694 3.568 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001306501639 1069066270 /nfs/dbraw/zinc/06/62/70/1069066270.db2.gz GSYQBFGIVHVGNB-ISKFKSNPSA-N 1 0 493.631 3.976 20 0 JHADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)C1 ZINC001310627554 1069069048 /nfs/dbraw/zinc/06/90/48/1069069048.db2.gz QHMVUUAUZNVWNN-LJQANCHMSA-N 1 0 456.635 3.501 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+](CC)C2CC2)C1 ZINC001306503122 1069072727 /nfs/dbraw/zinc/07/27/27/1069072727.db2.gz YBZJRJNVGWKGGN-SFHVURJKSA-N 1 0 459.038 3.968 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC001306504155 1069075794 /nfs/dbraw/zinc/07/57/94/1069075794.db2.gz CUEHCICOJNLCKD-GGAORHGYSA-N 1 0 470.637 3.625 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001306504128 1069075815 /nfs/dbraw/zinc/07/58/15/1069075815.db2.gz CPAVRFFEGIZXED-YADHBBJMSA-N 1 0 458.626 3.804 20 0 JHADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Nc3ccc(N4CCC4=O)cc3)CC2)c1C ZINC001310645882 1069080662 /nfs/dbraw/zinc/08/06/62/1069080662.db2.gz DYAQAAALAVEGLF-UHFFFAOYSA-N 1 0 451.571 3.572 20 0 JHADRO Cc1nc2ccc(NC(=O)N(Cc3ccccc3Br)C3CC[NH+](C)CC3)cn2n1 ZINC001310651435 1069085272 /nfs/dbraw/zinc/08/52/72/1069085272.db2.gz OLPCSYDBUXBHOH-UHFFFAOYSA-N 1 0 457.376 3.929 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001306506470 1069086430 /nfs/dbraw/zinc/08/64/30/1069086430.db2.gz NHFCLDFNHUVKFJ-VXKWHMMOSA-N 1 0 473.065 3.748 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001306506898 1069088132 /nfs/dbraw/zinc/08/81/32/1069088132.db2.gz UUDLBBICLUNPQK-VXKWHMMOSA-N 1 0 468.646 3.535 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC001310661162 1069094093 /nfs/dbraw/zinc/09/40/93/1069094093.db2.gz XGYWMTMYHXRIEJ-UHFFFAOYSA-N 1 0 457.481 3.953 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc([C@H](C)CC)n2CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC001306508698 1069096369 /nfs/dbraw/zinc/09/63/69/1069096369.db2.gz HVWOOSFWWVLZNF-HXUWFJFHSA-N 1 0 452.647 3.735 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001306509082 1069097538 /nfs/dbraw/zinc/09/75/38/1069097538.db2.gz KCCUHYDHEWWKMX-UHFFFAOYSA-N 1 0 494.482 3.651 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001306513531 1069112389 /nfs/dbraw/zinc/11/23/89/1069112389.db2.gz ZJRSSKGMERSOIS-UHFFFAOYSA-N 1 0 467.662 3.798 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001306516085 1069120682 /nfs/dbraw/zinc/12/06/82/1069120682.db2.gz IQMAKMWYEHEEHW-UHFFFAOYSA-N 1 0 482.673 3.845 20 0 JHADRO Cc1c(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nnn1CCOc1ccc(F)cc1 ZINC001310724996 1069136902 /nfs/dbraw/zinc/13/69/02/1069136902.db2.gz BUESQVZPJSMHNN-NRFANRHFSA-N 1 0 452.534 3.591 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306520091 1069138568 /nfs/dbraw/zinc/13/85/68/1069138568.db2.gz SMTCGLCFGFSAHX-FPOVZHCZSA-N 1 0 456.635 3.711 20 0 JHADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3c(Br)c(C)nn3C)CC2)cc1 ZINC001310787878 1069162760 /nfs/dbraw/zinc/16/27/60/1069162760.db2.gz SPQZJHNAXHWQAR-UHFFFAOYSA-N 1 0 450.381 3.533 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001306531746 1069172280 /nfs/dbraw/zinc/17/22/80/1069172280.db2.gz UNXBGCVGNDHSSI-VWLOTQADSA-N 1 0 459.635 3.824 20 0 JHADRO CCC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001306540496 1069188590 /nfs/dbraw/zinc/18/85/90/1069188590.db2.gz IHIMOSUAZKWCOP-VWLOTQADSA-N 1 0 476.065 3.622 20 0 JHADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)CC1 ZINC001310843361 1069189376 /nfs/dbraw/zinc/18/93/76/1069189376.db2.gz AOFQSJSAOJOQRU-INIZCTEOSA-N 1 0 452.546 3.938 20 0 JHADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001310878080 1069205180 /nfs/dbraw/zinc/20/51/80/1069205180.db2.gz SBGLUFPFCWETHT-MRXNPFEDSA-N 1 0 457.522 3.722 20 0 JHADRO COC(=O)[C@@H]1CCc2sc(NC(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)nc2C1 ZINC001310902091 1069215426 /nfs/dbraw/zinc/21/54/26/1069215426.db2.gz CSPOFHIXVXFKKQ-OAHLLOKOSA-N 1 0 450.992 3.670 20 0 JHADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1 ZINC001310942810 1069230182 /nfs/dbraw/zinc/23/01/82/1069230182.db2.gz RTYAYPALEOYNKN-UHFFFAOYSA-N 1 0 455.559 3.831 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[NH+]1CCCCCC1 ZINC001306570212 1069237710 /nfs/dbraw/zinc/23/77/10/1069237710.db2.gz SAXVVWGNOPDOCR-HXUWFJFHSA-N 1 0 465.646 3.940 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001306578794 1069243628 /nfs/dbraw/zinc/24/36/28/1069243628.db2.gz WBQBWCSCRIAORI-RTWAWAEBSA-N 1 0 495.672 3.657 20 0 JHADRO COC(=O)[C@@H](C)Oc1ccc(NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1F ZINC001311010007 1069247389 /nfs/dbraw/zinc/24/73/89/1069247389.db2.gz PMECDJHIYAYJQL-MRXNPFEDSA-N 1 0 459.518 3.561 20 0 JHADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)Nc1cnc(Oc2ccccc2)nc1 ZINC001311051843 1069259413 /nfs/dbraw/zinc/25/94/13/1069259413.db2.gz FQRBZPAGWNNLHW-UHFFFAOYSA-N 1 0 452.603 3.929 20 0 JHADRO C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CCN(C)CC3)cc21 ZINC001311065871 1069263350 /nfs/dbraw/zinc/26/33/50/1069263350.db2.gz SKZLLWNVLXZTGP-PUZWTLIVSA-N 1 0 455.647 3.958 20 0 JHADRO CCCC(O)(CCC)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001306594357 1069265969 /nfs/dbraw/zinc/26/59/69/1069265969.db2.gz JRQIZSLRONNLJT-UHFFFAOYSA-N 1 0 459.635 3.726 20 0 JHADRO COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC001311084714 1069268506 /nfs/dbraw/zinc/26/85/06/1069268506.db2.gz QSYUACNBCQVUCG-BJKOFHAPSA-N 1 0 451.567 3.802 20 0 JHADRO COc1cccc(OC(F)(F)F)c1NC(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC001311119614 1069278279 /nfs/dbraw/zinc/27/82/79/1069278279.db2.gz SFSQXKLGFAXOGR-NRFANRHFSA-N 1 0 453.461 3.742 20 0 JHADRO COC(=O)CCc1cccc(NC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001311165429 1069288362 /nfs/dbraw/zinc/28/83/62/1069288362.db2.gz RDEXWYIQONEFOP-UHFFFAOYSA-N 1 0 458.990 3.779 20 0 JHADRO CCCc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)o1 ZINC001306611348 1069288283 /nfs/dbraw/zinc/28/82/83/1069288283.db2.gz GNIIDVIUUBKWOJ-SFHVURJKSA-N 1 0 458.651 3.853 20 0 JHADRO CCCc1nc(C)c(Cn2c(COCC)nnc2N2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC001306611797 1069288958 /nfs/dbraw/zinc/28/89/58/1069288958.db2.gz BYMQJJBQTWHJJV-UHFFFAOYSA-N 1 0 452.603 3.742 20 0 JHADRO COC(=O)c1cc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(Cl)cc1NC(C)=O ZINC001311190397 1069293445 /nfs/dbraw/zinc/29/34/45/1069293445.db2.gz BFLQKNIAGAMWEO-UHFFFAOYSA-N 1 0 458.946 3.871 20 0 JHADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(Cl)cc1NC(C)=O ZINC001311191813 1069294029 /nfs/dbraw/zinc/29/40/29/1069294029.db2.gz ZDBORTJSSQPYDG-LHSJRXKWSA-N 1 0 458.946 3.727 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001306614913 1069294826 /nfs/dbraw/zinc/29/48/26/1069294826.db2.gz CFYSBHCCAKAQQX-OFNKIYASSA-N 1 0 489.636 3.798 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)[C@H](C)CC)CCO1 ZINC001306616484 1069298319 /nfs/dbraw/zinc/29/83/19/1069298319.db2.gz HBFYNRHOHPRRTR-NVXWUHKLSA-N 1 0 453.429 3.771 20 0 JHADRO CN(C)c1cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc(C(F)(F)F)c1 ZINC001311230238 1069302622 /nfs/dbraw/zinc/30/26/22/1069302622.db2.gz ZDDWXXLXDUSXCO-DYESRHJHSA-N 1 0 450.505 3.776 20 0 JHADRO Cc1c(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc(Br)cc1C(F)(F)F ZINC001311232204 1069303772 /nfs/dbraw/zinc/30/37/72/1069303772.db2.gz SOWIUZAPIURGGW-HOTGVXAUSA-N 1 0 450.299 3.839 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1CCOC ZINC001306619700 1069304424 /nfs/dbraw/zinc/30/44/24/1069304424.db2.gz ZOWQMPRMYTWEHV-RUZDIDTESA-N 1 0 454.663 3.558 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2ccccc2Cl)CC[N@@H+]1CCOC ZINC001306620421 1069306246 /nfs/dbraw/zinc/30/62/46/1069306246.db2.gz GMTYMGSUIDSKMF-QFQXNSOFSA-N 1 0 499.059 3.838 20 0 JHADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCC4(CC([NH3+])C4)CC3)c2c1C ZINC001164388091 718802328 /nfs/dbraw/zinc/80/23/28/718802328.db2.gz RYDDRSPBJIUVNR-UHFFFAOYSA-N 1 0 457.644 3.870 20 0 JHADRO FC(F)(F)[C@H]1N(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CCC12CC[NH2+]CC2 ZINC001164388015 718815170 /nfs/dbraw/zinc/81/51/70/718815170.db2.gz MAAAKWYOLHRSTI-QFIPXVFZSA-N 1 0 495.615 3.913 20 0 JHADRO CC(C)(C)C(=O)Nc1ccnc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1CN1CC[C@@H](CO)C1 ZINC001164415082 718880861 /nfs/dbraw/zinc/88/08/61/718880861.db2.gz ZYEAWJQHBDOACR-YLJYHZDGSA-N 1 0 497.606 3.534 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164614938 719010078 /nfs/dbraw/zinc/01/00/78/719010078.db2.gz GXUYAUKCWSUWBN-ORAYPTAESA-N 1 0 463.356 3.564 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)CC2)CC1 ZINC001164617542 719031622 /nfs/dbraw/zinc/03/16/22/719031622.db2.gz ODVKWQZPQICLAF-UHFFFAOYSA-N 1 0 479.959 3.981 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cncc(OCc4cccc(Cl)c4)n3)CC2)CC1 ZINC001164617238 719034330 /nfs/dbraw/zinc/03/43/30/719034330.db2.gz KHBRXXIJKVYTKG-UHFFFAOYSA-N 1 0 458.990 3.953 20 0 JHADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC001164622288 719094138 /nfs/dbraw/zinc/09/41/38/719094138.db2.gz BQHUOOLXWRICGR-ISKFKSNPSA-N 1 0 473.602 3.769 20 0 JHADRO C[N@H+](Cc1ccc(N2CC[C@@]3(C2)c2ccccc2S(=O)(=O)N3Cc2ccccc2)nc1)C1CC1 ZINC001164654930 719322689 /nfs/dbraw/zinc/32/26/89/719322689.db2.gz TTYWGDKOCWTXBQ-HHHXNRCGSA-N 1 0 474.630 3.986 20 0 JHADRO O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C[C@H]2CCCO[C@H]21 ZINC001164655934 719326636 /nfs/dbraw/zinc/32/66/36/719326636.db2.gz RWQWWRXLIPFPRT-NQSCKRDGSA-N 1 0 480.987 3.557 20 0 JHADRO COC(=O)c1c(Cl)ccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685349 719658462 /nfs/dbraw/zinc/65/84/62/719658462.db2.gz ZGXUJSNXZLBGPT-SFHVURJKSA-N 1 0 485.028 3.615 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4cccnc43)CC2)c2ccccc21 ZINC001164680241 719662423 /nfs/dbraw/zinc/66/24/23/719662423.db2.gz DKBPFLAOOMYUDH-SFHVURJKSA-N 1 0 479.028 3.772 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4cnccc43)CC2)c2ccccc21 ZINC001164680810 719663775 /nfs/dbraw/zinc/66/37/75/719663775.db2.gz IZKNYZPWBDPWSU-SFHVURJKSA-N 1 0 479.028 3.772 20 0 JHADRO COc1ccc(Cl)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681541 719668745 /nfs/dbraw/zinc/66/87/45/719668745.db2.gz MROIXODSTALFCD-GOSISDBHSA-N 1 0 457.018 3.837 20 0 JHADRO CSc1nc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2s1 ZINC001164680825 719674194 /nfs/dbraw/zinc/67/41/94/719674194.db2.gz HUOYXSGLBCTUGG-QGZVFWFLSA-N 1 0 496.706 3.902 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(-c4ncc[nH]4)ccn3)CC2)c2ccccc21 ZINC001164680379 719674437 /nfs/dbraw/zinc/67/44/37/719674437.db2.gz DEYMBAQJRZKCSG-NRFANRHFSA-N 1 0 458.610 3.565 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc4ccc(Cl)nc4[nH]3)CC2)c2ccccc21 ZINC001164680406 719675273 /nfs/dbraw/zinc/67/52/73/719675273.db2.gz DQZHCDKQAYVXHL-QGZVFWFLSA-N 1 0 467.017 3.705 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(C4CC4)nc4[nH]ccc43)CC2)c2ccccc21 ZINC001164687225 719681735 /nfs/dbraw/zinc/68/17/35/719681735.db2.gz REJJWPJUGSBYTF-HXUWFJFHSA-N 1 0 472.637 3.929 20 0 JHADRO C[C@H]1CCc2nnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)cc2C1 ZINC001164686637 719681891 /nfs/dbraw/zinc/68/18/91/719681891.db2.gz PDGJUGPKIHJTRF-UNMCSNQZSA-N 1 0 461.654 3.695 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1ccn3COCC[Si](C)(C)C)CC2 ZINC001164683722 719729511 /nfs/dbraw/zinc/72/95/11/719729511.db2.gz DKDWQWGDQJCACR-UHFFFAOYSA-N 1 0 493.128 3.578 20 0 JHADRO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)cc2C1 ZINC001164697165 719816922 /nfs/dbraw/zinc/81/69/22/719816922.db2.gz AEWDDHMDSPLDMR-SFHVURJKSA-N 1 0 455.628 3.545 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nnn(C)c3[C@H](COCc3cccnc3)C2)nc1 ZINC001164697899 719835703 /nfs/dbraw/zinc/83/57/03/719835703.db2.gz ZLOVYTWSDPUIAO-LADGPHEKSA-N 1 0 461.614 3.863 20 0 JHADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c21 ZINC001164700349 719886040 /nfs/dbraw/zinc/88/60/40/719886040.db2.gz KHBVLMPJEUMYBG-UHFFFAOYSA-N 1 0 491.617 3.992 20 0 JHADRO CC[C@H]1C(=O)Nc2cnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2N1C1CCCC1 ZINC001164698159 719891881 /nfs/dbraw/zinc/89/18/81/719891881.db2.gz PBKTXHFIGURWBV-QFIPXVFZSA-N 1 0 496.681 3.889 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164810996 720094236 /nfs/dbraw/zinc/09/42/36/720094236.db2.gz MRFJTFHXFPNWIR-RLWLMLJZSA-N 1 0 468.045 3.831 20 0 JHADRO CCOC(=O)c1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ncc1Cl ZINC001164711586 720097948 /nfs/dbraw/zinc/09/79/48/720097948.db2.gz REMPCCMWKHLMHJ-LJQANCHMSA-N 1 0 458.990 3.814 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(OC)c(OC)cc31)CC2 ZINC001164710769 720102759 /nfs/dbraw/zinc/10/27/59/720102759.db2.gz MHZJUZDHRQLECX-FQEVSTJZSA-N 1 0 463.582 3.550 20 0 JHADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164814393 720108661 /nfs/dbraw/zinc/10/86/61/720108661.db2.gz SDVYZXXEGLBDCD-XDHUDOTRSA-N 1 0 458.990 3.645 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3ccc(C(=O)OC)cc31)CC2 ZINC001164715520 720112444 /nfs/dbraw/zinc/11/24/44/720112444.db2.gz GXPQOMKHMBRVTD-HSZRJFAPSA-N 1 0 460.578 3.924 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(N3CCC(C)CC3)nn1)CC2 ZINC001164711690 720143312 /nfs/dbraw/zinc/14/33/12/720143312.db2.gz HXKGGEMVDKLMQR-HSZRJFAPSA-N 1 0 450.631 3.615 20 0 JHADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164717597 720189689 /nfs/dbraw/zinc/18/96/89/720189689.db2.gz VALMXYQDKAVVDP-GOSISDBHSA-N 1 0 491.423 3.895 20 0 JHADRO Cn1nnc2c1CCN(C(F)(F)c1cccc3c(Cl)nccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164713834 720191487 /nfs/dbraw/zinc/19/14/87/720191487.db2.gz FBJGAIRZXUWXSL-FQEVSTJZSA-N 1 0 476.959 3.778 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)c(Cc3ccc(OC)cc3)c(C)n1)C2 ZINC001164817232 720192920 /nfs/dbraw/zinc/19/29/20/720192920.db2.gz PBEGCBUNGBUEDW-YIXXDRMTSA-N 1 0 450.627 3.878 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(Cc3ccc(OC)cc3)c(C)n1)C2 ZINC001164817229 720193966 /nfs/dbraw/zinc/19/39/66/720193966.db2.gz PBEGCBUNGBUEDW-HOFKKMOUSA-N 1 0 450.627 3.878 20 0 JHADRO Cn1nnc2c1CCN(c1cc(SCc3ccccc3)ccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717696 720199849 /nfs/dbraw/zinc/19/98/49/720199849.db2.gz WDUFUNQNTQXSTO-QHCPKHFHSA-N 1 0 464.639 3.719 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)C2 ZINC001164814142 720206732 /nfs/dbraw/zinc/20/67/32/720206732.db2.gz SYBLWLSXIXFZKJ-VGSWGCGISA-N 1 0 454.446 3.958 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(Cl)(Cl)Oc1ccc(Cl)nc1)CCC2 ZINC001164816094 720248308 /nfs/dbraw/zinc/24/83/08/720248308.db2.gz GPFYGBHFLDLHPX-UHFFFAOYSA-N 1 0 460.793 3.506 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3ncc(Cl)nc3c2)CC1 ZINC001164818926 720303437 /nfs/dbraw/zinc/30/34/37/720303437.db2.gz BSFLUOJJZJHOOT-VQTJNVASSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc([Si](C)(C)C)c(Cl)n2)CC1 ZINC001164830296 720329663 /nfs/dbraw/zinc/32/96/63/720329663.db2.gz PNEWVELHQUSMNO-ZWKOTPCHSA-N 1 0 485.095 3.737 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)Oc2ccc3c(Cl)ncnc3c2)CC1 ZINC001164831966 720331049 /nfs/dbraw/zinc/33/10/49/720331049.db2.gz SMRWFMLXUUEDOP-WOJBJXKFSA-N 1 0 479.959 3.619 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CC1 ZINC001164831706 720339270 /nfs/dbraw/zinc/33/92/70/720339270.db2.gz ZSDNMRZMSNWAIO-GOTSBHOMSA-N 1 0 482.028 3.899 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nc(-c3ccc(F)cc3)n2)CC1 ZINC001164827507 720343838 /nfs/dbraw/zinc/34/38/38/720343838.db2.gz MLIBXXQSEDLJKB-UXHICEINSA-N 1 0 457.981 3.848 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(-c3nc(-c4cccs4)no3)ccn2)CC1 ZINC001164825249 720346331 /nfs/dbraw/zinc/34/63/31/720346331.db2.gz JCUHQMKTHUGYLD-WOJBJXKFSA-N 1 0 478.622 3.772 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(SCc3ccccc3)ncn2)CC1 ZINC001164824264 720346997 /nfs/dbraw/zinc/34/69/97/720346997.db2.gz HTQXHNYVJNWEFV-FCHUYYIVSA-N 1 0 451.640 3.680 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(C(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001164822175 720350698 /nfs/dbraw/zinc/35/06/98/720350698.db2.gz CCKFCSHCPQJGKA-UXHICEINSA-N 1 0 463.022 3.602 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc3c2CCC3)CC1 ZINC001164828799 720355960 /nfs/dbraw/zinc/35/59/60/720355960.db2.gz PXGMNOIXNPXYDK-WOJBJXKFSA-N 1 0 452.977 3.680 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2c(Cl)nnc(Cl)c2N2CCCCC2)CC1 ZINC001164821475 720356737 /nfs/dbraw/zinc/35/67/37/720356737.db2.gz ALZXBIKXACJFCN-QZTJIDSGSA-N 1 0 481.472 3.685 20 0 JHADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735894 720415948 /nfs/dbraw/zinc/41/59/48/720415948.db2.gz ZBQPRDJNDXHTMN-SFTDATJTSA-N 1 0 453.587 3.606 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832480 720518484 /nfs/dbraw/zinc/51/84/84/720518484.db2.gz AYVFQHXJKAPFKO-GBESFXJTSA-N 1 0 480.007 3.849 20 0 JHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001164733008 720524431 /nfs/dbraw/zinc/52/44/31/720524431.db2.gz IFJYUVRXEDLEJN-IBGZPJMESA-N 1 0 479.698 3.951 20 0 JHADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)n1 ZINC001164840838 720539331 /nfs/dbraw/zinc/53/93/31/720539331.db2.gz UDYNKUUGZLGWGS-JTDSTZFVSA-N 1 0 467.948 3.641 20 0 JHADRO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2N1C1CCCC1 ZINC001164833818 720543819 /nfs/dbraw/zinc/54/38/19/720543819.db2.gz BTGLEYRNJANZLB-NAMDQGSHSA-N 1 0 492.672 3.531 20 0 JHADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164841389 720557346 /nfs/dbraw/zinc/55/73/46/720557346.db2.gz USSOEQGQBWIAHY-QHAWAJNXSA-N 1 0 459.038 3.791 20 0 JHADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843134 720576929 /nfs/dbraw/zinc/57/69/29/720576929.db2.gz WSPYOTJEDPNNTK-TZBSWOFLSA-N 1 0 475.641 3.590 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164840947 720671394 /nfs/dbraw/zinc/67/13/94/720671394.db2.gz OENVBSZMXRDYLK-NRFANRHFSA-N 1 0 479.650 3.788 20 0 JHADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)C1 ZINC001164836482 720713209 /nfs/dbraw/zinc/71/32/09/720713209.db2.gz BHQNDJBKSSEMLU-DNQXCXABSA-N 1 0 493.652 3.516 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164836983 720723577 /nfs/dbraw/zinc/72/35/77/720723577.db2.gz CKGMSJFLRWEHQZ-INIZCTEOSA-N 1 0 459.381 3.987 20 0 JHADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739872 720730064 /nfs/dbraw/zinc/73/00/64/720730064.db2.gz JBYQSEYMKWEUJL-ROUUACIJSA-N 1 0 497.958 3.850 20 0 JHADRO Cc1nc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc(Cl)c1C ZINC001164843099 720742830 /nfs/dbraw/zinc/74/28/30/720742830.db2.gz ILDDOEFGXOBGJU-UHFFFAOYSA-N 1 0 459.932 3.649 20 0 JHADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741149 720765125 /nfs/dbraw/zinc/76/51/25/720765125.db2.gz MKMQIAQQZWRDRM-CVEARBPZSA-N 1 0 450.593 3.860 20 0 JHADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742659 720817887 /nfs/dbraw/zinc/81/78/87/720817887.db2.gz QJOGRQDNTYMIMI-DJPFJPOOSA-N 1 0 473.959 3.799 20 0 JHADRO 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Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)c(F)cc4C(=O)NCc4cccs4)C[C@H]3C2)cn1 ZINC001164771350 721161970 /nfs/dbraw/zinc/16/19/70/721161970.db2.gz SGSXEYNLTHZKSZ-DLBZAZTESA-N 1 0 489.020 3.557 20 0 JHADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164766055 721198734 /nfs/dbraw/zinc/19/87/34/721198734.db2.gz IVSSPVQHKNSHKL-DNQXCXABSA-N 1 0 455.610 3.788 20 0 JHADRO COc1cccc(-c2nc3ccccc3c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)c1 ZINC001164771499 721218830 /nfs/dbraw/zinc/21/88/30/721218830.db2.gz QPWHSFCZZWWMBL-FGZHOGPDSA-N 1 0 454.578 3.997 20 0 JHADRO COc1cccc(-c2nc3ccccc3c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)c1 ZINC001164771498 721219951 /nfs/dbraw/zinc/21/99/51/721219951.db2.gz QPWHSFCZZWWMBL-FCHUYYIVSA-N 1 0 454.578 3.997 20 0 JHADRO c1ncn2c1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C[C@H](COc1cccnc1)C2 ZINC001164768459 721273429 /nfs/dbraw/zinc/27/34/29/721273429.db2.gz USEPRVQUQQDHIH-QHCPKHFHSA-N 1 0 466.589 3.947 20 0 JHADRO 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Cc1nc2sc3c(c2c(N2CC[C@@]4(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O4)n1)CCCC3 ZINC001164894958 721432539 /nfs/dbraw/zinc/43/25/39/721432539.db2.gz NUSQGIWZTQTSPJ-KBMIEXCESA-N 1 0 455.672 3.644 20 0 JHADRO CCc1nc2sc3c(c2c(N2CC[C@]4(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O4)n1)CCC3 ZINC001164890757 721433377 /nfs/dbraw/zinc/43/33/77/721433377.db2.gz FEKIXHWDAHHFSZ-BVZFJXPGSA-N 1 0 455.672 3.508 20 0 JHADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164899487 721434900 /nfs/dbraw/zinc/43/49/00/721434900.db2.gz YNOWILUDGJNVBB-SVEHJYQDSA-N 1 0 488.680 3.862 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c(-c6ccccc6)nsc54)C3)O2)CC1 ZINC001164893829 721436265 /nfs/dbraw/zinc/43/62/65/721436265.db2.gz KUXAGWRJWRYRRC-CPJSRVTESA-N 1 0 464.639 3.519 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C3)O2)CC1 ZINC001164894888 721436317 /nfs/dbraw/zinc/43/63/17/721436317.db2.gz MYGWAORSRWUAEX-VGSWGCGISA-N 1 0 481.975 3.700 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc(Cl)c2c1 ZINC001164890289 721438601 /nfs/dbraw/zinc/43/86/01/721438601.db2.gz DDLVNWOORLDCSK-JPYJTQIMSA-N 1 0 496.002 3.602 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(SCc5ccccc5)ncn4)C3)O2)CC1 ZINC001164895796 721442898 /nfs/dbraw/zinc/44/28/98/721442898.db2.gz POAOXTYAGYRBSA-DHLKQENFSA-N 1 0 453.656 3.534 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccncc5)nc5sccc54)C3)O2)CC1 ZINC001164897576 721444842 /nfs/dbraw/zinc/44/48/42/721444842.db2.gz UFEJGGXPJGLRFH-NBGIEHNGSA-N 1 0 464.639 3.519 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5cc(OCc6ccccc6)ccc54)C3)O2)CC1 ZINC001164884285 721447091 /nfs/dbraw/zinc/44/70/91/721447091.db2.gz ANGJRZMVVWBGHI-SVEHJYQDSA-N 1 0 487.648 3.974 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164789469 721455285 /nfs/dbraw/zinc/45/52/85/721455285.db2.gz WPDMFLUZVFGWRS-GOSISDBHSA-N 1 0 465.038 3.629 20 0 JHADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1C ZINC001164787552 721459503 /nfs/dbraw/zinc/45/95/03/721459503.db2.gz RJZSAAYHRPUQKD-FQEVSTJZSA-N 1 0 480.049 3.954 20 0 JHADRO CCOC(=O)c1cc2cccnc2nc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164788670 721459640 /nfs/dbraw/zinc/45/96/40/721459640.db2.gz VMBPZGSHOCSUGQ-JOCHJYFZSA-N 1 0 482.625 3.540 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164789372 721464028 /nfs/dbraw/zinc/46/40/28/721464028.db2.gz XMMYWBZNQXLMLY-XMMPIXPASA-N 1 0 462.638 3.976 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc([C@@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164788735 721465173 /nfs/dbraw/zinc/46/51/73/721465173.db2.gz JESNVJZOQWQRHQ-RPBOFIJWSA-N 1 0 485.669 3.872 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3ccncc3)nc(C)n1)CC2 ZINC001164791821 721468499 /nfs/dbraw/zinc/46/84/99/721468499.db2.gz ZRMUUAZLXKGDGC-QHCPKHFHSA-N 1 0 451.615 3.581 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164787239 721473812 /nfs/dbraw/zinc/47/38/12/721473812.db2.gz DMZVMTCWMRCDAW-HXUWFJFHSA-N 1 0 467.589 3.984 20 0 JHADRO O=C(C[C@@H]1COC[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21)N1CCC(F)CC1 ZINC001164894994 721477546 /nfs/dbraw/zinc/47/75/46/721477546.db2.gz QDHOWXLSEQESSQ-USZFVNFHSA-N 1 0 492.639 3.689 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)nc1 ZINC001164898830 721495615 /nfs/dbraw/zinc/49/56/15/721495615.db2.gz IIKVKILHDNDDFH-SSGKUCQKSA-N 1 0 478.670 3.851 20 0 JHADRO CCOC(=O)C1CCN(c2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nn2)CC1 ZINC001164796674 721498134 /nfs/dbraw/zinc/49/81/34/721498134.db2.gz VCCZDKWNVKSDKL-UHFFFAOYSA-N 1 0 478.641 3.532 20 0 JHADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CCC[C@H](OCC4CC4)[C@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164900371 721498356 /nfs/dbraw/zinc/49/83/56/721498356.db2.gz OJBVZEIXJFHNIL-UEOMBKFZSA-N 1 0 484.685 3.912 20 0 JHADRO O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164897574 721505515 /nfs/dbraw/zinc/50/55/15/721505515.db2.gz NIBKUXSYTLBITG-FQEVSTJZSA-N 1 0 473.955 3.694 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(-c4ccccc4)nc(-c4cccs4)n2)CC3)CC1 ZINC001164794584 721520366 /nfs/dbraw/zinc/52/03/66/721520366.db2.gz GEWURVJAMHUFFS-UHFFFAOYSA-N 1 0 471.634 3.836 20 0 JHADRO O=C(c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)N1CCCCC1 ZINC001164899755 721520690 /nfs/dbraw/zinc/52/06/90/721520690.db2.gz MINUQRPLKPBPRO-CTNGQTDRSA-N 1 0 458.965 3.842 20 0 JHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)CC[N@@H+]3C2)c1 ZINC001164897600 721523191 /nfs/dbraw/zinc/52/31/91/721523191.db2.gz GACGCYBFUYACJT-DGCLKSJQSA-N 1 0 469.735 3.861 20 0 JHADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164910882 721531033 /nfs/dbraw/zinc/53/10/33/721531033.db2.gz USHSCOPZLXXXRD-GOEBONIOSA-N 1 0 455.864 3.548 20 0 JHADRO O=C(NCCSCc1ccco1)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909897 721543098 /nfs/dbraw/zinc/54/30/98/721543098.db2.gz SHWUJHVOMJGUCE-OFNKIYASSA-N 1 0 496.608 3.819 20 0 JHADRO O=C(c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164906494 721555917 /nfs/dbraw/zinc/55/59/17/721555917.db2.gz JRHRZDVSJDNWEV-TZIWHRDSSA-N 1 0 458.965 3.842 20 0 JHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[N@@H+]3C2)c1 ZINC001164905898 721558108 /nfs/dbraw/zinc/55/81/08/721558108.db2.gz HXRGBDUUSSXIGD-RBBKRZOGSA-N 1 0 462.525 3.786 20 0 JHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2cccc(F)c2)[C@H]2CCCO[C@@H]12 ZINC001164800444 721559192 /nfs/dbraw/zinc/55/91/92/721559192.db2.gz FNDHLOVNGCQRKH-ISJGIBHGSA-N 1 0 472.568 3.882 20 0 JHADRO COc1cccc(CN2C[C@H]3CC[N@@H+](C(C)(C)c4ccnc(Cl)c4)CC[C@H]3S2(=O)=O)c1 ZINC001164802585 721592803 /nfs/dbraw/zinc/59/28/03/721592803.db2.gz GVZJWAALXPWQEP-WIYYLYMNSA-N 1 0 464.031 3.905 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@@H]3C2)nc1 ZINC001164803301 721603233 /nfs/dbraw/zinc/60/32/33/721603233.db2.gz VEGPHQUSNMRLER-TWJOJJKGSA-N 1 0 477.653 3.976 20 0 JHADRO COC(=O)c1c(Cl)cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1OC ZINC001164904843 721719997 /nfs/dbraw/zinc/71/99/97/721719997.db2.gz DHKQTKNOWVPAOW-OAQYLSRUSA-N 1 0 466.916 3.663 20 0 JHADRO CCC(CC)NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912600 721727627 /nfs/dbraw/zinc/72/76/27/721727627.db2.gz OKPGCMPIZMCZDI-HSZRJFAPSA-N 1 0 493.624 3.681 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccsc4c(N4CCOCC4)n3)C[C@H]21 ZINC001165021405 721804189 /nfs/dbraw/zinc/80/41/89/721804189.db2.gz GRRBCWPGTSDEBQ-CZTZKLFOSA-N 1 0 464.639 3.660 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C[C@H]21 ZINC001165017759 721805085 /nfs/dbraw/zinc/80/50/85/721805085.db2.gz AKNPGQLKKOIYEE-DFQSSKMNSA-N 1 0 493.002 3.643 20 0 JHADRO 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CCOC(=O)c1cnc(C2CC2)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022292 721840830 /nfs/dbraw/zinc/84/08/30/721840830.db2.gz QXIFGKDEOTYRSP-UHFFFAOYSA-N 1 0 454.571 3.649 20 0 JHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3cc(C)sc3c(N3CCOCC3)n2)CC1 ZINC001165020551 721841970 /nfs/dbraw/zinc/84/19/70/721841970.db2.gz FUTXBGMJWLTUHI-UHFFFAOYSA-N 1 0 497.665 3.954 20 0 JHADRO CCOC(=O)c1cc2ccc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)[nH]c-2n1 ZINC001165020446 721842686 /nfs/dbraw/zinc/84/26/86/721842686.db2.gz DOYABCJHXJHGHV-UHFFFAOYSA-N 1 0 452.555 3.858 20 0 JHADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1ccn2COCC[Si](C)(C)C ZINC001164926262 721871660 /nfs/dbraw/zinc/87/16/60/721871660.db2.gz QZLOMVHFKCEHKB-RBUKOAKNSA-N 1 0 465.118 3.612 20 0 JHADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164932557 721880131 /nfs/dbraw/zinc/88/01/31/721880131.db2.gz JBAPEYXIRBVTLD-WOJBJXKFSA-N 1 0 479.650 3.592 20 0 JHADRO 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O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164960195 722035778 /nfs/dbraw/zinc/03/57/78/722035778.db2.gz UHCIAJURPHHGLO-NZQKXSOJSA-N 1 0 473.955 3.584 20 0 JHADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963765 722062526 /nfs/dbraw/zinc/06/25/26/722062526.db2.gz CYVCSCYRLYGMHC-UHFFFAOYSA-N 1 0 495.958 3.886 20 0 JHADRO C[Si](C)(C)CCOCn1ccc2c1nc(Cl)nc2N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967497 722073689 /nfs/dbraw/zinc/07/36/89/722073689.db2.gz RZMPQUJFYMAPKK-HDICACEKSA-N 1 0 464.086 3.696 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975691 722111035 /nfs/dbraw/zinc/11/10/35/722111035.db2.gz KJMSKGGSXSLBIE-FPOVZHCZSA-N 1 0 479.606 3.504 20 0 JHADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164979849 722124439 /nfs/dbraw/zinc/12/44/39/722124439.db2.gz QMEACMGEJUHGJZ-RDGATRHJSA-N 1 0 472.568 3.741 20 0 JHADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164982306 722129998 /nfs/dbraw/zinc/12/99/98/722129998.db2.gz RPINIGIGNGJZOT-FXAWDEMLSA-N 1 0 470.936 3.579 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978889 722138245 /nfs/dbraw/zinc/13/82/45/722138245.db2.gz KJRYGQZOSDDLKV-WOJBJXKFSA-N 1 0 486.954 3.859 20 0 JHADRO c1ccc(-c2nsc3c2ncnc3N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164982809 722143423 /nfs/dbraw/zinc/14/34/23/722143423.db2.gz SSBQIAXLVFLTFF-RTWAWAEBSA-N 1 0 458.591 3.876 20 0 JHADRO c1cc2c(nc(-c3ccncc3)nc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164982696 722151613 /nfs/dbraw/zinc/15/16/13/722151613.db2.gz SEFAHLBGWCYMLE-IFMALSPDSA-N 1 0 458.591 3.876 20 0 JHADRO Clc1cccc(COc2cncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164976241 722154013 /nfs/dbraw/zinc/15/40/13/722154013.db2.gz VSWYMMQFGGYQMI-FYYLOGMGSA-N 1 0 465.985 3.831 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CCC2 ZINC001165000440 722252632 /nfs/dbraw/zinc/25/26/32/722252632.db2.gz PKVWVLZEMNXVPQ-UHFFFAOYSA-N 1 0 450.921 3.513 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CCC2 ZINC001165000310 722252821 /nfs/dbraw/zinc/25/28/21/722252821.db2.gz NWWDWKUUHQPIDK-UHFFFAOYSA-N 1 0 450.921 3.513 20 0 JHADRO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004067 722256214 /nfs/dbraw/zinc/25/62/14/722256214.db2.gz MLKGZMMHIMJODW-FQEVSTJZSA-N 1 0 463.630 3.694 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)CCC2 ZINC001165004421 722256471 /nfs/dbraw/zinc/25/64/71/722256471.db2.gz ROVCTOZNKHANQM-UHFFFAOYSA-N 1 0 468.989 3.672 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1 ZINC001165004424 722270377 /nfs/dbraw/zinc/27/03/77/722270377.db2.gz ASUIBJNNBAZEPK-BVAGGSTKSA-N 1 0 451.590 3.695 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1 ZINC001165004441 722270478 /nfs/dbraw/zinc/27/04/78/722270478.db2.gz ASUIBJNNBAZEPK-ZEQKJWHPSA-N 1 0 451.590 3.695 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)OC)CC[N@@H+]1CCOC ZINC001306621644 1069310793 /nfs/dbraw/zinc/31/07/93/1069310793.db2.gz DDBYXCHBMTXJBG-SJLPKXTDSA-N 1 0 498.441 3.819 20 0 JHADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)Nc1c(F)ccc(Br)c1F ZINC001311261905 1069311418 /nfs/dbraw/zinc/31/14/18/1069311418.db2.gz YHNGHEICMBXOPP-UHFFFAOYSA-N 1 0 454.315 3.876 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2F)CC[N@@H+]1CCOC ZINC001306623194 1069314133 /nfs/dbraw/zinc/31/41/33/1069314133.db2.gz HMLMNDKNGZSNSZ-NRFANRHFSA-N 1 0 452.578 3.773 20 0 JHADRO Cn1cc(Br)c(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1=O ZINC001311284833 1069316017 /nfs/dbraw/zinc/31/60/17/1069316017.db2.gz YNTBDXDTPNCIOS-KRWDZBQOSA-N 1 0 459.388 3.572 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001306625347 1069319494 /nfs/dbraw/zinc/31/94/94/1069319494.db2.gz WKTYTZLUYCJMIM-OAQYLSRUSA-N 1 0 495.672 3.706 20 0 JHADRO COc1ccc([C@@H](CNC(=O)NC[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)[NH+]2CCCC2)cc1 ZINC001311348025 1069334168 /nfs/dbraw/zinc/33/41/68/1069334168.db2.gz XUTCTNIKFFEJMY-UKILVPOCSA-N 1 0 450.583 3.941 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306634865 1069340958 /nfs/dbraw/zinc/34/09/58/1069340958.db2.gz PELRRRAYDRVBNL-OAQYLSRUSA-N 1 0 467.662 3.737 20 0 JHADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC001311356223 1069340309 /nfs/dbraw/zinc/34/03/09/1069340309.db2.gz RBMZJCBPKBLIOU-UHFFFAOYSA-N 1 0 457.546 3.601 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)C1 ZINC001311357731 1069341221 /nfs/dbraw/zinc/34/12/21/1069341221.db2.gz HHZNBBRIOZWRGA-YDIMBITNSA-N 1 0 452.574 3.686 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC001311357873 1069341268 /nfs/dbraw/zinc/34/12/68/1069341268.db2.gz NRBCLMCSVAVIEX-ATIYNZHBSA-N 1 0 450.627 3.791 20 0 JHADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)C1 ZINC001311363280 1069346018 /nfs/dbraw/zinc/34/60/18/1069346018.db2.gz RUXPFKMTUQXWHT-OPYAIIAOSA-N 1 0 455.018 3.518 20 0 JHADRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(NC(=O)CCCOc4ccccc4)cc3)CC[C@H]21 ZINC001311364022 1069346409 /nfs/dbraw/zinc/34/64/09/1069346409.db2.gz XEGSDZZHZTVBSI-XUZZJYLKSA-N 1 0 450.583 3.720 20 0 JHADRO Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC001311364037 1069346811 /nfs/dbraw/zinc/34/68/11/1069346811.db2.gz XUFBQPCEKCIZKL-AMGIVPHBSA-N 1 0 464.610 3.886 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NCC3(C)CCC4(CC3)OCCO4)CC2)c1 ZINC001311379461 1069353229 /nfs/dbraw/zinc/35/32/29/1069353229.db2.gz CIXOLAUWBNDKPX-UHFFFAOYSA-N 1 0 458.647 3.520 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCCC[C@H]3[C@@H](O)c3ccccc3)CC2)c1 ZINC001311380325 1069353617 /nfs/dbraw/zinc/35/36/17/1069353617.db2.gz KPZPNSDGXWDMOZ-UIOOFZCWSA-N 1 0 450.627 3.805 20 0 JHADRO Cc1cccc([C@@H](CNC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)N2CCOCC2)c1 ZINC001311389765 1069357471 /nfs/dbraw/zinc/35/74/71/1069357471.db2.gz AKLKFWATCHHOIK-CLJLJLNGSA-N 1 0 452.643 3.824 20 0 JHADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC001311390696 1069358122 /nfs/dbraw/zinc/35/81/22/1069358122.db2.gz QBOMLDVZOJJHLF-HSZRJFAPSA-N 1 0 459.034 3.923 20 0 JHADRO CC(C)[C@@H](CNC(=O)N[C@](C)(CO)Cc1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC001311392104 1069359034 /nfs/dbraw/zinc/35/90/34/1069359034.db2.gz JVKWNKFCMOCHAJ-IRLDBZIGSA-N 1 0 454.453 3.798 20 0 JHADRO CC[C@@H](CNC(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC001311392904 1069359564 /nfs/dbraw/zinc/35/95/64/1069359564.db2.gz XEQUIJFHLSZNGD-UIOOFZCWSA-N 1 0 450.627 3.504 20 0 JHADRO CC[C@H](CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC001311394375 1069360019 /nfs/dbraw/zinc/36/00/19/1069360019.db2.gz BIWLXSCPRBFAOI-CLJLJLNGSA-N 1 0 450.627 3.504 20 0 JHADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCN(CCOc2ccccc2Cl)CC1 ZINC001311406012 1069364677 /nfs/dbraw/zinc/36/46/77/1069364677.db2.gz QKCMGDMOVHNXQL-HSZRJFAPSA-N 1 0 457.018 3.883 20 0 JHADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001311419268 1069368036 /nfs/dbraw/zinc/36/80/36/1069368036.db2.gz SKRMTOZMOHKVNV-OAQYLSRUSA-N 1 0 451.398 3.944 20 0 JHADRO CCCCCn1cc(Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c(C)n1 ZINC001306657422 1069371172 /nfs/dbraw/zinc/37/11/72/1069371172.db2.gz ZQTMJSAURCUMMU-WOJBJXKFSA-N 1 0 452.651 3.946 20 0 JHADRO CCCCCn1cc(Cn2c([C@H]3CCCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)c(C)n1 ZINC001306657981 1069372602 /nfs/dbraw/zinc/37/26/02/1069372602.db2.gz MPDYEDPAZYDSLX-NRFANRHFSA-N 1 0 457.667 3.836 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001306659277 1069376041 /nfs/dbraw/zinc/37/60/41/1069376041.db2.gz HWJLDQCUXYJMMU-HSZRJFAPSA-N 1 0 488.721 3.959 20 0 JHADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC001311431212 1069376769 /nfs/dbraw/zinc/37/67/69/1069376769.db2.gz BNYUDERITZTVIC-SFTDATJTSA-N 1 0 451.055 3.804 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001306664437 1069388901 /nfs/dbraw/zinc/38/89/01/1069388901.db2.gz PRQYJUKKMZACLU-JOCHJYFZSA-N 1 0 483.705 3.881 20 0 JHADRO CCCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[N@@H+]1CCC ZINC001306666784 1069395055 /nfs/dbraw/zinc/39/50/55/1069395055.db2.gz CPIPGZSHMVZOAZ-IBGZPJMESA-N 1 0 461.680 3.657 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001306666089 1069393741 /nfs/dbraw/zinc/39/37/41/1069393741.db2.gz SRUBZNWATJWVNP-FYYLOGMGSA-N 1 0 486.661 3.891 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(OC)c1 ZINC001311470598 1069393783 /nfs/dbraw/zinc/39/37/83/1069393783.db2.gz REYLDUBFNCDHQD-VXKWHMMOSA-N 1 0 458.990 3.836 20 0 JHADRO CCCCN(C)c1nnc(-c2ccc(Br)s2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001306669147 1069396373 /nfs/dbraw/zinc/39/63/73/1069396373.db2.gz HAOJINHROCDWJE-MRXNPFEDSA-N 1 0 497.507 3.948 20 0 JHADRO CCOC(=O)C1(CC(F)F)CCN(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC001311481629 1069398165 /nfs/dbraw/zinc/39/81/65/1069398165.db2.gz KTPHRDZZHMDVKZ-UHFFFAOYSA-N 1 0 451.558 3.970 20 0 JHADRO CCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001306674959 1069399363 /nfs/dbraw/zinc/39/93/63/1069399363.db2.gz MXAGEBRWELAIEO-JOCHJYFZSA-N 1 0 486.661 3.933 20 0 JHADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCN(Cc4ccc(Cl)nc4)CC3)cc2)CC1 ZINC001311492555 1069403662 /nfs/dbraw/zinc/40/36/62/1069403662.db2.gz SAPNSXULTUWLBM-UHFFFAOYSA-N 1 0 456.034 3.994 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001306677731 1069401656 /nfs/dbraw/zinc/40/16/56/1069401656.db2.gz BPURAIHTDGOZAM-DNQXCXABSA-N 1 0 474.694 3.727 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(Cl)c(OC)c2)CC1 ZINC001306677884 1069402458 /nfs/dbraw/zinc/40/24/58/1069402458.db2.gz DJNFIOOIFJFMSM-OAQYLSRUSA-N 1 0 489.064 3.888 20 0 JHADRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCc3cc(F)c(Br)cc3C2)cc1 ZINC001311495008 1069404990 /nfs/dbraw/zinc/40/49/90/1069404990.db2.gz KCYVKMAMSCNURC-UHFFFAOYSA-N 1 0 450.352 3.797 20 0 JHADRO CCc1cc(N2CCC[C@H](NC(=O)NCc3ccccc3C[N@@H+]3CCCC[C@H]3C)C2)ncn1 ZINC001311496605 1069406378 /nfs/dbraw/zinc/40/63/78/1069406378.db2.gz XAEURSCATKKVEK-YKSBVNFPSA-N 1 0 450.631 3.882 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2Cc2cccnc2OC)CC1 ZINC001306680231 1069407252 /nfs/dbraw/zinc/40/72/52/1069407252.db2.gz VNCZQKIOECXBDJ-UHFFFAOYSA-N 1 0 451.619 3.684 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@H]1CC ZINC001306681404 1069410600 /nfs/dbraw/zinc/41/06/00/1069410600.db2.gz LUMXYGRVFAMFLP-UYAOXDASSA-N 1 0 475.707 3.903 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001306680958 1069408996 /nfs/dbraw/zinc/40/89/96/1069408996.db2.gz WQKAJGFYFCOWJO-RLWLMLJZSA-N 1 0 473.637 3.777 20 0 JHADRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCc3cc(F)cc(Br)c3C2)c1 ZINC001311499964 1069409101 /nfs/dbraw/zinc/40/91/01/1069409101.db2.gz JZIZSLSVLVZLGR-UHFFFAOYSA-N 1 0 450.352 3.797 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001306681189 1069410011 /nfs/dbraw/zinc/41/00/11/1069410011.db2.gz YZXMRWOPWIROGX-OAQYLSRUSA-N 1 0 493.027 3.616 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1Cc2cccc(Br)c2C1 ZINC001306683743 1069418119 /nfs/dbraw/zinc/41/81/19/1069418119.db2.gz CAJCUEFJJFEECP-UHFFFAOYSA-N 1 0 456.392 3.750 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001306683451 1069416691 /nfs/dbraw/zinc/41/66/91/1069416691.db2.gz UWXTWVSMEGONNU-UHFFFAOYSA-N 1 0 484.542 3.711 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001306682434 1069413318 /nfs/dbraw/zinc/41/33/18/1069413318.db2.gz HFLLRFXSOWDKRQ-JOCHJYFZSA-N 1 0 488.036 3.650 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001306682624 1069413864 /nfs/dbraw/zinc/41/38/64/1069413864.db2.gz JXLYQKXVMAFAPQ-UHFFFAOYSA-N 1 0 495.716 3.510 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001306682615 1069413895 /nfs/dbraw/zinc/41/38/95/1069413895.db2.gz JQCBNVSMWURCFY-UHFFFAOYSA-N 1 0 460.598 3.873 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001306682707 1069414706 /nfs/dbraw/zinc/41/47/06/1069414706.db2.gz MPESYJWJQXSZJA-UHFFFAOYSA-N 1 0 492.043 3.854 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001306682918 1069415251 /nfs/dbraw/zinc/41/52/51/1069415251.db2.gz MJCABEXSSAVJAM-MRXNPFEDSA-N 1 0 473.975 3.798 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001306683768 1069417978 /nfs/dbraw/zinc/41/79/78/1069417978.db2.gz AEWJLGVMESJFLC-BGYRXZFFSA-N 1 0 481.645 3.581 20 0 JHADRO C[C@@H]1CN(C(C)(C)CNC(=O)N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)C[C@H](C)O1 ZINC001311510301 1069415853 /nfs/dbraw/zinc/41/58/53/1069415853.db2.gz FXZLVNHBCNCRLH-BGYRXZFFSA-N 1 0 453.631 3.854 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001306682999 1069416012 /nfs/dbraw/zinc/41/60/12/1069416012.db2.gz SRVXYVGJEFABED-HXUWFJFHSA-N 1 0 456.616 3.720 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001306684938 1069420210 /nfs/dbraw/zinc/42/02/10/1069420210.db2.gz UJNRFFSYQJZZFY-UHFFFAOYSA-N 1 0 469.584 3.985 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)[C@@H]1CCSC1 ZINC001306685190 1069420802 /nfs/dbraw/zinc/42/08/02/1069420802.db2.gz XOMACPTZLWDCRH-LJQANCHMSA-N 1 0 483.686 3.910 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001306685217 1069420832 /nfs/dbraw/zinc/42/08/32/1069420832.db2.gz YBPGVJZOVNCFOJ-HXUWFJFHSA-N 1 0 467.593 3.962 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](CC)C1 ZINC001306685933 1069422037 /nfs/dbraw/zinc/42/20/37/1069422037.db2.gz NMQJLDYMJCOIMK-NHCUHLMSSA-N 1 0 478.682 3.740 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC001311529921 1069425251 /nfs/dbraw/zinc/42/52/51/1069425251.db2.gz BVYILMWBOSAYPJ-IFMALSPDSA-N 1 0 465.516 3.964 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001306688507 1069425757 /nfs/dbraw/zinc/42/57/57/1069425757.db2.gz PJDCRENURHNBIU-SFHVURJKSA-N 1 0 470.559 3.813 20 0 JHADRO CCCCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001306690866 1069428279 /nfs/dbraw/zinc/42/82/79/1069428279.db2.gz KDSDICQSFVWPSC-OAQYLSRUSA-N 1 0 450.425 3.709 20 0 JHADRO CCC(CC)[C@H](CNC(=O)NCC1(c2ccc(Br)cc2)CC1)[NH+]1CCOCC1 ZINC001311537146 1069429650 /nfs/dbraw/zinc/42/96/50/1069429650.db2.gz ZNYCTBJPNDIZOJ-FQEVSTJZSA-N 1 0 452.437 3.917 20 0 JHADRO CCC(CC)[C@H](CNC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCOCC1)[NH+]1CCCC1 ZINC001311538344 1069430276 /nfs/dbraw/zinc/43/02/76/1069430276.db2.gz WJIPBRZCBVAVLL-FQEVSTJZSA-N 1 0 454.656 3.602 20 0 JHADRO C[C@@H]1C[C@H](CCNC(=O)NCc2ccccc2CN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC001311546884 1069433107 /nfs/dbraw/zinc/43/31/07/1069433107.db2.gz YBBIXARGWPAKDD-VWNXMTODSA-N 1 0 450.627 3.619 20 0 JHADRO CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001306701519 1069436716 /nfs/dbraw/zinc/43/67/16/1069436716.db2.gz YLFWDIYRXYEFDB-OALUTQOASA-N 1 0 492.510 3.841 20 0 JHADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC001311569510 1069441929 /nfs/dbraw/zinc/44/19/29/1069441929.db2.gz GAZMFLBFWSAESU-DHIUTWEWSA-N 1 0 455.672 3.515 20 0 JHADRO Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)C2)cc1 ZINC001311569418 1069441988 /nfs/dbraw/zinc/44/19/88/1069441988.db2.gz WBBGUORCMQRNPC-LADGPHEKSA-N 1 0 451.615 3.711 20 0 JHADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001311565063 1069440108 /nfs/dbraw/zinc/44/01/08/1069440108.db2.gz WAGRMEKSIIRAJV-QHCPKHFHSA-N 1 0 457.018 3.711 20 0 JHADRO CC1CC[NH+]([C@H](CNC(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)c2cccs2)CC1 ZINC001311568117 1069441336 /nfs/dbraw/zinc/44/13/36/1069441336.db2.gz BWTQWRIXXJRCTQ-GHTZIAJQSA-N 1 0 451.583 3.950 20 0 JHADRO CCN(C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC001311568345 1069441385 /nfs/dbraw/zinc/44/13/85/1069441385.db2.gz CIFVCWRUAFRNKV-PKTZIBPZSA-N 1 0 450.583 3.669 20 0 JHADRO CCN(C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC001311568343 1069441393 /nfs/dbraw/zinc/44/13/93/1069441393.db2.gz CIFVCWRUAFRNKV-DHIUTWEWSA-N 1 0 450.583 3.669 20 0 JHADRO COc1ccc(Cl)cc1NC(=O)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC001311578174 1069446862 /nfs/dbraw/zinc/44/68/62/1069446862.db2.gz YISZVPJFLHOEMY-QGZVFWFLSA-N 1 0 450.992 3.875 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1Cl ZINC001311570101 1069442693 /nfs/dbraw/zinc/44/26/93/1069442693.db2.gz XKOKVBHVFWPNSA-HTAPYJJXSA-N 1 0 455.990 3.821 20 0 JHADRO COc1ccc(Cl)cc1NC(=O)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001311578173 1069447037 /nfs/dbraw/zinc/44/70/37/1069447037.db2.gz YISZVPJFLHOEMY-KRWDZBQOSA-N 1 0 450.992 3.875 20 0 JHADRO CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001306710692 1069443713 /nfs/dbraw/zinc/44/37/13/1069443713.db2.gz KZPGZHIWJIHYME-UHFFFAOYSA-N 1 0 460.617 3.942 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1)c1cccc(F)c1 ZINC001311572441 1069443974 /nfs/dbraw/zinc/44/39/74/1069443974.db2.gz SLXRPEIHPHAZDJ-LEWJYISDSA-N 1 0 452.530 3.779 20 0 JHADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC001311573220 1069444541 /nfs/dbraw/zinc/44/45/41/1069444541.db2.gz USRNLCJFZFQGKN-OFNKIYASSA-N 1 0 455.672 3.561 20 0 JHADRO CC(C)COC(=O)N1CCCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC001311582154 1069449280 /nfs/dbraw/zinc/44/92/80/1069449280.db2.gz WXBFKCOPIKGMMQ-NRFANRHFSA-N 1 0 451.011 3.987 20 0 JHADRO COc1cccc([C@@H](CNC(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)[NH+]2CCCC2)c1 ZINC001311582945 1069449321 /nfs/dbraw/zinc/44/93/21/1069449321.db2.gz ZJOQQRQHVNUEFZ-DNQXCXABSA-N 1 0 453.583 3.808 20 0 JHADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC001311583576 1069450116 /nfs/dbraw/zinc/45/01/16/1069450116.db2.gz KOGKTBKSIVJIKF-RBUKOAKNSA-N 1 0 454.681 3.683 20 0 JHADRO Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)n2)c1 ZINC001311588557 1069452279 /nfs/dbraw/zinc/45/22/79/1069452279.db2.gz OCQVVNHLIXUFLR-INIZCTEOSA-N 1 0 453.978 3.853 20 0 JHADRO COc1cc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1OCc1ccccc1 ZINC001311584057 1069450649 /nfs/dbraw/zinc/45/06/49/1069450649.db2.gz REDGFTVKSWNYPF-QFIPXVFZSA-N 1 0 453.583 3.574 20 0 JHADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC001311595128 1069456857 /nfs/dbraw/zinc/45/68/57/1069456857.db2.gz NVCBFYOZAKQFGH-IAGOWNOFSA-N 1 0 458.632 3.549 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H]1c1ccccc1 ZINC001311589587 1069453586 /nfs/dbraw/zinc/45/35/86/1069453586.db2.gz WVIDZCWLDCHSFU-DHIUTWEWSA-N 1 0 455.986 3.903 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001306720218 1069454460 /nfs/dbraw/zinc/45/44/60/1069454460.db2.gz HJFCDNJJZRHGAT-OALUTQOASA-N 1 0 488.599 3.619 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001306720219 1069454565 /nfs/dbraw/zinc/45/45/65/1069454565.db2.gz HJFCDNJJZRHGAT-RBUKOAKNSA-N 1 0 488.599 3.619 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC001306723348 1069463421 /nfs/dbraw/zinc/46/34/21/1069463421.db2.gz RTGFWLFWHNMNFW-NHCUHLMSSA-N 1 0 472.682 3.885 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCNC(=O)CC1 ZINC001306724520 1069465321 /nfs/dbraw/zinc/46/53/21/1069465321.db2.gz YHPUHAXXHUQVBG-XZOQPEGZSA-N 1 0 452.647 3.801 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C)C(=O)C1 ZINC001306724753 1069465862 /nfs/dbraw/zinc/46/58/62/1069465862.db2.gz ZQRALRJGIAAWQV-LJQANCHMSA-N 1 0 475.037 3.540 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001306722743 1069461815 /nfs/dbraw/zinc/46/18/15/1069461815.db2.gz KRMGGKWKNKHZAX-RTWAWAEBSA-N 1 0 476.666 3.540 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[C@@H]1C(F)(F)F ZINC001311616691 1069468262 /nfs/dbraw/zinc/46/82/62/1069468262.db2.gz JWBHSACKHQCBLT-HOTGVXAUSA-N 1 0 450.546 3.736 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC(=O)NC)CC1 ZINC001306726415 1069469534 /nfs/dbraw/zinc/46/95/34/1069469534.db2.gz LVTUPEGPEVQEJQ-JOCHJYFZSA-N 1 0 487.718 3.641 20 0 JHADRO COc1ccccc1[C@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1)[NH+]1CCCCC1 ZINC001311622483 1069472828 /nfs/dbraw/zinc/47/28/28/1069472828.db2.gz LORHLFAYEIPYPZ-JCYRPKCISA-N 1 0 455.574 3.732 20 0 JHADRO COC(=O)c1ccc2c(c1)CCN(C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1)C2 ZINC001311624045 1069473811 /nfs/dbraw/zinc/47/38/11/1069473811.db2.gz YISXNZPCLLPYLP-HSZRJFAPSA-N 1 0 451.567 3.777 20 0 JHADRO O=C(NCc1cccc(CN2CCOCC2)c1)NCc1cc(Cl)ccc1Br ZINC001311624745 1069474324 /nfs/dbraw/zinc/47/43/24/1069474324.db2.gz IZLWUJGGPLVGED-UHFFFAOYSA-N 1 0 452.780 3.934 20 0 JHADRO CCCOc1ccccc1Oc1ncccc1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC001311629386 1069478343 /nfs/dbraw/zinc/47/83/43/1069478343.db2.gz XPVXFNQTDOAXND-UHFFFAOYSA-N 1 0 454.571 3.669 20 0 JHADRO CCCN(C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001311630852 1069478791 /nfs/dbraw/zinc/47/87/91/1069478791.db2.gz UUMAGQYCDMQFEK-SDHSZQHLSA-N 1 0 456.675 3.820 20 0 JHADRO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)N2CCOCC2)cc1 ZINC001311638362 1069483832 /nfs/dbraw/zinc/48/38/32/1069483832.db2.gz YIALLRDLQQUVJI-FIXSFTCYSA-N 1 0 456.656 3.812 20 0 JHADRO CC(C)N1C(=O)C[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001311639101 1069484387 /nfs/dbraw/zinc/48/43/87/1069484387.db2.gz VXEULIUBWXQGOE-BSLALVQMSA-N 1 0 453.002 3.951 20 0 JHADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC001311646234 1069487353 /nfs/dbraw/zinc/48/73/53/1069487353.db2.gz SKNXWZYJGCWNEI-OAQYLSRUSA-N 1 0 450.608 3.542 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CC[NH+]2CCCCC2)C1 ZINC001306732746 1069490710 /nfs/dbraw/zinc/49/07/10/1069490710.db2.gz ILWIUXBLACCFAM-CTNGQTDRSA-N 1 0 487.718 3.641 20 0 JHADRO C[C@@H]1CCC[C@@](CNC(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)([NH+](C)C)C1 ZINC001311657410 1069491250 /nfs/dbraw/zinc/49/12/50/1069491250.db2.gz SBATYAFJWFKBBY-QLVMHMETSA-N 1 0 458.416 3.549 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001306733383 1069492675 /nfs/dbraw/zinc/49/26/75/1069492675.db2.gz WEOZDFCUKRONBK-GBXCKJPGSA-N 1 0 452.647 3.556 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1c1ccc(F)cc1 ZINC001311664898 1069494045 /nfs/dbraw/zinc/49/40/45/1069494045.db2.gz NLBXPBJHWQGJJB-GOTSBHOMSA-N 1 0 450.514 3.593 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001306734750 1069497510 /nfs/dbraw/zinc/49/75/10/1069497510.db2.gz PVQXPEUSJDDULS-HBMCJLEFSA-N 1 0 455.651 3.669 20 0 JHADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC001311671894 1069497994 /nfs/dbraw/zinc/49/79/94/1069497994.db2.gz HSTNILUSYFXHEQ-BBWFWOEESA-N 1 0 455.430 3.827 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccn3C)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001306735392 1069499909 /nfs/dbraw/zinc/49/99/09/1069499909.db2.gz QSGTWSZZHZAWTE-DNVJHFABSA-N 1 0 483.705 3.927 20 0 JHADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001311687483 1069503173 /nfs/dbraw/zinc/50/31/73/1069503173.db2.gz DRYJGCBMRHUEPY-JZZBYWGLSA-N 1 0 462.610 3.948 20 0 JHADRO Cc1cccc(NC(=O)COc2ccc(CCNC(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2)c1 ZINC001311689540 1069504301 /nfs/dbraw/zinc/50/43/01/1069504301.db2.gz POGBMOFHPRBDEV-XZOQPEGZSA-N 1 0 452.599 3.727 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001306736915 1069504385 /nfs/dbraw/zinc/50/43/85/1069504385.db2.gz VJLDQNYCJXFRII-XUZZJYLKSA-N 1 0 481.689 3.983 20 0 JHADRO Cc1cccc(NC(=O)COc2ccc(CCNC(=O)NC[C@@H]3CCCC[N@@H+](C)C3)cc2)c1 ZINC001311692857 1069506117 /nfs/dbraw/zinc/50/61/17/1069506117.db2.gz ZABJSPCATSIGGL-QFIPXVFZSA-N 1 0 452.599 3.586 20 0 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C[C@@H](NC(=O)N1CCN(c2cccc(F)c2)C[C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819218 1069558961 /nfs/dbraw/zinc/55/89/61/1069558961.db2.gz GZMILNVRGPGCCI-RTBURBONSA-N 1 0 457.569 3.698 20 0 JHADRO C[C@@H](NC(=O)NC[C@H](c1ccccc1)C(C)(C)CO)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819813 1069558986 /nfs/dbraw/zinc/55/89/86/1069558986.db2.gz LZGYNPQBVGHOTP-AUSIDOKSSA-N 1 0 456.606 3.740 20 0 JHADRO COc1cccc2[nH]cc(CCNC(=O)N[C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)c21 ZINC001311820879 1069560410 /nfs/dbraw/zinc/56/04/10/1069560410.db2.gz APLJEFXQESOGNB-KRWDZBQOSA-N 1 0 453.562 3.670 20 0 JHADRO CCCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001306763108 1069563824 /nfs/dbraw/zinc/56/38/24/1069563824.db2.gz PDOSSFSOLWSIEG-NRFANRHFSA-N 1 0 492.462 3.825 20 0 JHADRO CCCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001306764075 1069565469 /nfs/dbraw/zinc/56/54/69/1069565469.db2.gz UGBJPGFJQLYDBX-RTWAWAEBSA-N 1 0 476.666 3.841 20 0 JHADRO C[C@@H]1[C@H](NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001311829776 1069567524 /nfs/dbraw/zinc/56/75/24/1069567524.db2.gz NLVYCOCKQWLYGL-FOVJLYNBSA-N 1 0 457.018 3.676 20 0 JHADRO COC(=O)N1CCC[C@@H](NC(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001311832734 1069569796 /nfs/dbraw/zinc/56/97/96/1069569796.db2.gz QSEWQLBLJUENIV-MVERNJQCSA-N 1 0 450.583 3.575 20 0 JHADRO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001306777907 1069573896 /nfs/dbraw/zinc/57/38/96/1069573896.db2.gz ASHJWLVUINEYTM-GOSISDBHSA-N 1 0 461.680 3.513 20 0 JHADRO C[C@@H](CCNC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[NH+]1CCCCC1 ZINC001311840702 1069574133 /nfs/dbraw/zinc/57/41/33/1069574133.db2.gz YVSPHQQWIMKGKC-RXVVDRJESA-N 1 0 456.553 3.642 20 0 JHADRO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001306773730 1069571463 /nfs/dbraw/zinc/57/14/63/1069571463.db2.gz AYIQEUPJEKGNEZ-MOPGFXCFSA-N 1 0 478.663 3.797 20 0 JHADRO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306777282 1069573376 /nfs/dbraw/zinc/57/33/76/1069573376.db2.gz ZUQSBRKKRLBZJZ-RNHFSVANSA-N 1 0 478.682 3.943 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)on2)C1 ZINC001306781132 1069578662 /nfs/dbraw/zinc/57/86/62/1069578662.db2.gz RXZYRKDZVMEKHW-MRXNPFEDSA-N 1 0 476.423 3.559 20 0 JHADRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001311846610 1069576834 /nfs/dbraw/zinc/57/68/34/1069576834.db2.gz NYPQNQQFHWQCMP-LFAGZIFBSA-N 1 0 463.626 3.649 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CC(F)(F)F)C1 ZINC001306780324 1069577388 /nfs/dbraw/zinc/57/73/88/1069577388.db2.gz AVBUCRCNBDNQEG-QGZVFWFLSA-N 1 0 491.562 3.966 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001306780878 1069578444 /nfs/dbraw/zinc/57/84/44/1069578444.db2.gz GBWWUHCBOHKGHV-NHCUHLMSSA-N 1 0 478.682 3.597 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)c2ccccc2)C1 ZINC001306781193 1069579020 /nfs/dbraw/zinc/57/90/20/1069579020.db2.gz HSDLPFVFOCXURU-QZNHQXDQSA-N 1 0 473.687 3.542 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2nc(C(C)(C)C)cs2)C1 ZINC001306782396 1069580386 /nfs/dbraw/zinc/58/03/86/1069580386.db2.gz DVJATXBDGYPJRP-KRWDZBQOSA-N 1 0 454.648 3.706 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001306782842 1069581669 /nfs/dbraw/zinc/58/16/69/1069581669.db2.gz GHCSBXJPFFOGHI-HXUWFJFHSA-N 1 0 479.595 3.783 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001306784128 1069584050 /nfs/dbraw/zinc/58/40/50/1069584050.db2.gz PEDUUTNLGUQFCV-LJQANCHMSA-N 1 0 494.562 3.629 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3C)CC2)C1 ZINC001306784179 1069584244 /nfs/dbraw/zinc/58/42/44/1069584244.db2.gz QFYAQLSVVYJHPK-OAQYLSRUSA-N 1 0 452.647 3.625 20 0 JHADRO 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CN(C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001311903087 1069606756 /nfs/dbraw/zinc/60/67/56/1069606756.db2.gz TXGNZYOBQQIGEH-BJKOFHAPSA-N 1 0 450.631 3.747 20 0 JHADRO CN(CCCC(=O)OC(C)(C)C)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001311904225 1069607171 /nfs/dbraw/zinc/60/71/71/1069607171.db2.gz LJQZBXYMQLCPRK-UHFFFAOYSA-N 1 0 453.027 3.615 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001306802569 1069609299 /nfs/dbraw/zinc/60/92/99/1069609299.db2.gz NDHBPPORFWHISN-QHCPKHFHSA-N 1 0 470.568 3.852 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001306802912 1069610823 /nfs/dbraw/zinc/61/08/23/1069610823.db2.gz RESTVPJSGSHTRE-LJQANCHMSA-N 1 0 489.462 3.559 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001306804927 1069614347 /nfs/dbraw/zinc/61/43/47/1069614347.db2.gz FFZIIOHQMGKOOT-UHFFFAOYSA-N 1 0 484.048 3.631 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@@H]1C ZINC001306803889 1069612976 /nfs/dbraw/zinc/61/29/76/1069612976.db2.gz GCMKTCLLKAUGEV-OALUTQOASA-N 1 0 451.619 3.642 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001306804219 1069613075 /nfs/dbraw/zinc/61/30/75/1069613075.db2.gz KSZSDSXQZGNWEV-UFYCRDLUSA-N 1 0 464.655 3.601 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H]2CCCCO2)nnc1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306804332 1069613699 /nfs/dbraw/zinc/61/36/99/1069613699.db2.gz MWOUHDFQGYSFRK-BHDDXSALSA-N 1 0 490.693 3.991 20 0 JHADRO CCC[N@H+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@@H](C)C1 ZINC001306805367 1069615599 /nfs/dbraw/zinc/61/55/99/1069615599.db2.gz ZEOYNUGAWYQKIT-OAQYLSRUSA-N 1 0 454.667 3.810 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306805869 1069617296 /nfs/dbraw/zinc/61/72/96/1069617296.db2.gz NQNHGLVBQCMFLI-NRFANRHFSA-N 1 0 471.650 3.908 20 0 JHADRO C[C@@H](CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)CN(C)C(=O)OC(C)(C)C ZINC001311931419 1069619253 /nfs/dbraw/zinc/61/92/53/1069619253.db2.gz YWLCWWDTVYIFSY-IBGZPJMESA-N 1 0 454.656 3.602 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC001306807341 1069621718 /nfs/dbraw/zinc/62/17/18/1069621718.db2.gz SSZZYSXXOGSCMK-UHFFFAOYSA-N 1 0 450.587 3.740 20 0 JHADRO CCC[N@H+](CC)CCn1c(N2CCc3cccc(F)c3[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 ZINC001306808028 1069623588 /nfs/dbraw/zinc/62/35/88/1069623588.db2.gz FQBHHYXSIIDYDW-UQBPGWFLSA-N 1 0 459.610 3.925 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001306808172 1069623641 /nfs/dbraw/zinc/62/36/41/1069623641.db2.gz GWWUTKHTIDXDRS-PMACEKPBSA-N 1 0 478.682 3.943 20 0 JHADRO CC(C)Oc1ccc([C@H](CNC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)[NH+](C)C)cc1 ZINC001311943245 1069623713 /nfs/dbraw/zinc/62/37/13/1069623713.db2.gz AYWPIMOELHXAIH-SFTDATJTSA-N 1 0 450.624 3.925 20 0 JHADRO CCOc1c(OC)cc(Cn2c([C@H]3CCCCO3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1OC ZINC001314156272 1069627142 /nfs/dbraw/zinc/62/71/42/1069627142.db2.gz FUXVYTVQFUKNKG-OAQYLSRUSA-N 1 0 487.645 3.951 20 0 JHADRO CCCN(Cc1ccc(F)cc1F)c1nnc(C(=O)NC(C)C)n1CC1CC[NH+](C2CC2)CC1 ZINC001306812189 1069632430 /nfs/dbraw/zinc/63/24/30/1069632430.db2.gz QAEYCQHHQSGAIW-UHFFFAOYSA-N 1 0 474.600 3.986 20 0 JHADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@](C)(CO)Cc2ccc(Br)cc2)C1 ZINC001311954300 1069633177 /nfs/dbraw/zinc/63/31/77/1069633177.db2.gz GRMMDFYXZCXWSP-HTAPYJJXSA-N 1 0 454.453 3.942 20 0 JHADRO C[NH+](C)CC[C@@H](NC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)C(C)(C)C ZINC001311954993 1069633954 /nfs/dbraw/zinc/63/39/54/1069633954.db2.gz UTOFLJYUNVKVPL-QRWLVFNGSA-N 1 0 452.562 3.984 20 0 JHADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccco1 ZINC001306839620 1069653021 /nfs/dbraw/zinc/65/30/21/1069653021.db2.gz KZYLKTBOQOYKAV-HNAYVOBHSA-N 1 0 452.532 3.516 20 0 JHADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)ccc21 ZINC001306845679 1069657143 /nfs/dbraw/zinc/65/71/43/1069657143.db2.gz GLOBCDRARAFHBU-REEUPSRWSA-N 1 0 453.608 3.887 20 0 JHADRO Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001312003603 1069663316 /nfs/dbraw/zinc/66/33/16/1069663316.db2.gz VBSPOBFTGNIFSG-DNQXCXABSA-N 1 0 454.590 3.693 20 0 JHADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N(Cc2cccs2)Cc2ccc3[nH]ccc3c2)C1 ZINC001312009697 1069666420 /nfs/dbraw/zinc/66/64/20/1069666420.db2.gz RXKSFHLGMMYDQK-HXUWFJFHSA-N 1 0 453.612 3.529 20 0 JHADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC001312005647 1069664643 /nfs/dbraw/zinc/66/46/43/1069664643.db2.gz RJWNQDFOUSBERD-QUCCMNQESA-N 1 0 459.660 3.880 20 0 JHADRO CC(C)(C)OC(=O)N1CCc2c(CC(=O)N3CCCN(c4cc[nH+]cc4)CC3)cccc2C1 ZINC001306864162 1069665637 /nfs/dbraw/zinc/66/56/37/1069665637.db2.gz KFMMMFPVRGGRAQ-UHFFFAOYSA-N 1 0 450.583 3.656 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)CCn3cccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001314166580 1069666034 /nfs/dbraw/zinc/66/60/34/1069666034.db2.gz NVSOXMCPZABCIO-QHCPKHFHSA-N 1 0 481.645 3.806 20 0 JHADRO C[C@H](NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001312010285 1069667044 /nfs/dbraw/zinc/66/70/44/1069667044.db2.gz VKWNQUYHZIDWTI-IBGZPJMESA-N 1 0 457.578 3.793 20 0 JHADRO COc1ccc([C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2OC)cc1 ZINC001312011015 1069668203 /nfs/dbraw/zinc/66/82/03/1069668203.db2.gz DMXOSRGPIPWZLR-RCZVLFRGSA-N 1 0 453.583 3.736 20 0 JHADRO COc1cc([C@H](C)NC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)ccc1S(C)(=O)=O ZINC001312011329 1069668375 /nfs/dbraw/zinc/66/83/75/1069668375.db2.gz HQFKKTZQUVRDAZ-GHTZIAJQSA-N 1 0 459.612 3.686 20 0 JHADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC(c2ccc(Br)cc2)CC1 ZINC001312012066 1069669045 /nfs/dbraw/zinc/66/90/45/1069669045.db2.gz KQCXSNGJEBXSDE-OAQYLSRUSA-N 1 0 450.421 3.982 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(CC(=O)NC)CC3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1OC ZINC001314169080 1069675578 /nfs/dbraw/zinc/67/55/78/1069675578.db2.gz ACTYDXREYQXJKU-QFIPXVFZSA-N 1 0 498.672 3.579 20 0 JHADRO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)[C@@H]1c1ccccc1 ZINC001306891129 1069675742 /nfs/dbraw/zinc/67/57/42/1069675742.db2.gz QXOOBMXFKYCXTO-FSSWDIPSSA-N 1 0 457.615 3.602 20 0 JHADRO CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001312023926 1069677113 /nfs/dbraw/zinc/67/71/13/1069677113.db2.gz DVMMUHOIHBYRJF-VQTJNVASSA-N 1 0 456.553 3.850 20 0 JHADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)N2CCC[C@@H](OCC3CC3)C2)CC1 ZINC001312025085 1069678895 /nfs/dbraw/zinc/67/88/95/1069678895.db2.gz JECRVZFETVMWSL-HXUWFJFHSA-N 1 0 454.537 3.558 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC=C(COC)CC3)n2CC[NH+]2CCC(C)CC2)cc1OC ZINC001314171196 1069684692 /nfs/dbraw/zinc/68/46/92/1069684692.db2.gz ZOMXURFKSRHVJS-UHFFFAOYSA-N 1 0 469.630 3.867 20 0 JHADRO CC[C@H](CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)Cc1cccc(Br)c1 ZINC001312033150 1069685588 /nfs/dbraw/zinc/68/55/88/1069685588.db2.gz KNGZZARKNFZYAH-UWJYYQICSA-N 1 0 452.437 3.960 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001312034459 1069686338 /nfs/dbraw/zinc/68/63/38/1069686338.db2.gz FMNYPTXTYBVVNV-JTSKRJEESA-N 1 0 458.603 3.821 20 0 JHADRO O=C(NCC1(c2ccccc2Br)CCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001312037030 1069686932 /nfs/dbraw/zinc/68/69/32/1069686932.db2.gz NBBGYXGGJNGWIE-KRWDZBQOSA-N 1 0 450.421 3.671 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001314172199 1069688729 /nfs/dbraw/zinc/68/87/29/1069688729.db2.gz DZAYKTYTQMFHDR-OAQYLSRUSA-N 1 0 498.672 3.531 20 0 JHADRO FC(F)(F)c1nc(NCCCC[NH+]2CCN(c3ncccn3)CC2)ccc1Br ZINC001306958660 1069689791 /nfs/dbraw/zinc/68/97/91/1069689791.db2.gz CRKXIOUSOLNANK-UHFFFAOYSA-N 1 0 459.314 3.667 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC001312056621 1069696684 /nfs/dbraw/zinc/69/66/84/1069696684.db2.gz WTCSRKCZQMEIBL-SGNDLWITSA-N 1 0 456.631 3.987 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC001314173378 1069693617 /nfs/dbraw/zinc/69/36/17/1069693617.db2.gz KVIJQSCDPRMPCD-HKBOAZHASA-N 1 0 471.646 3.803 20 0 JHADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)[C@H]1c1cccs1 ZINC001312071460 1069704942 /nfs/dbraw/zinc/70/49/42/1069704942.db2.gz JEDXKJVUJTXFCL-KNQAVFIVSA-N 1 0 458.603 3.828 20 0 JHADRO CCCN(CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001307009494 1069707477 /nfs/dbraw/zinc/70/74/77/1069707477.db2.gz TVMKXKLDHNOTKS-HXUWFJFHSA-N 1 0 471.650 3.985 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC001314177746 1069712424 /nfs/dbraw/zinc/71/24/24/1069712424.db2.gz AIGWBXSPSLVBSQ-JPYJTQIMSA-N 1 0 457.619 3.696 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC001314177493 1069711219 /nfs/dbraw/zinc/71/12/19/1069711219.db2.gz CVCGHDYTEKZKKV-RLLQIKCJSA-N 1 0 485.654 3.924 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC001314177446 1069711253 /nfs/dbraw/zinc/71/12/53/1069711253.db2.gz RVVGULYIANIYMG-HXUWFJFHSA-N 1 0 498.672 3.531 20 0 JHADRO CCCN(CCc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001307011725 1069713261 /nfs/dbraw/zinc/71/32/61/1069713261.db2.gz IXJDPOVAYBDVMJ-PZJWPPBQSA-N 1 0 458.676 3.870 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)COC)cc1OC ZINC001314178554 1069716241 /nfs/dbraw/zinc/71/62/41/1069716241.db2.gz YOSPTQOFUDUQSB-UHFFFAOYSA-N 1 0 459.635 3.946 20 0 JHADRO CCC(CC)c1cc(CNC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)on1 ZINC001312106620 1069722839 /nfs/dbraw/zinc/72/28/39/1069722839.db2.gz JXTGFZJIWUUHNC-HXUWFJFHSA-N 1 0 454.619 3.717 20 0 JHADRO CCOc1ccc(-c2nnc(Nc3cnn(C)c3)n2C[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC001314181076 1069724450 /nfs/dbraw/zinc/72/44/50/1069724450.db2.gz WHAYGLUBXKXTPV-GOSISDBHSA-N 1 0 453.591 3.952 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001314182161 1069727732 /nfs/dbraw/zinc/72/77/32/1069727732.db2.gz FUAYARLBCAEOFE-RTWAWAEBSA-N 1 0 468.646 3.670 20 0 JHADRO CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307022852 1069730536 /nfs/dbraw/zinc/73/05/36/1069730536.db2.gz AGRINECCTYXOPE-FCHUYYIVSA-N 1 0 484.645 3.707 20 0 JHADRO CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307023371 1069730996 /nfs/dbraw/zinc/73/09/96/1069730996.db2.gz FCASPUAEPKFSFL-DHIUTWEWSA-N 1 0 498.672 3.955 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(OCC)cc2)CC1 ZINC001307029924 1069737851 /nfs/dbraw/zinc/73/78/51/1069737851.db2.gz REELXJSQVWDIBS-UHFFFAOYSA-N 1 0 468.646 3.671 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(CC)CC)nnc2N2CCc3c(cccc3OC)C2)CC1 ZINC001307028708 1069735638 /nfs/dbraw/zinc/73/56/38/1069735638.db2.gz AMWOABKQJURVJH-UHFFFAOYSA-N 1 0 482.673 3.890 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(OC3CCC(C)CC3)CC2)C1 ZINC001307030464 1069739044 /nfs/dbraw/zinc/73/90/44/1069739044.db2.gz XWJWSLIGYAZGMP-ORFBVSJDSA-N 1 0 474.694 3.712 20 0 JHADRO C[N@@H+]1C[C@@H](CNC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)[C@H](c2ccccc2)C1 ZINC001312133801 1069739668 /nfs/dbraw/zinc/73/96/68/1069739668.db2.gz XCEUPKQAWKASJF-DMTNHVFBSA-N 1 0 477.630 3.824 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)C1 ZINC001307032223 1069742866 /nfs/dbraw/zinc/74/28/66/1069742866.db2.gz RGGQKLHAKZODSD-HXUWFJFHSA-N 1 0 450.587 3.574 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)cc3)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001307031554 1069741767 /nfs/dbraw/zinc/74/17/67/1069741767.db2.gz LQYDHHDZEYNITI-DEOSSOPVSA-N 1 0 471.646 3.706 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCS(=O)CC2)C1 ZINC001307031676 1069742295 /nfs/dbraw/zinc/74/22/95/1069742295.db2.gz MTXMPETXHQPQMX-OAHLLOKOSA-N 1 0 456.443 3.553 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC[C@H](OC)C2)C1 ZINC001307031958 1069742446 /nfs/dbraw/zinc/74/24/46/1069742446.db2.gz OOKLQONDNRSILQ-CTNGQTDRSA-N 1 0 457.619 3.698 20 0 JHADRO Cc1cccc(Oc2cc(CNC(=O)N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)ccn2)c1C ZINC001312146294 1069746294 /nfs/dbraw/zinc/74/62/94/1069746294.db2.gz HEZQQZGAODDZPW-NZQKXSOJSA-N 1 0 451.615 3.658 20 0 JHADRO Cc1cccc(Oc2cc(CNC(=O)N3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)ccn2)c1C ZINC001312146296 1069747033 /nfs/dbraw/zinc/74/70/33/1069747033.db2.gz HEZQQZGAODDZPW-REWPJTCUSA-N 1 0 451.615 3.658 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(CC)CCS(C)(=O)=O)C1 ZINC001307034834 1069752214 /nfs/dbraw/zinc/75/22/14/1069752214.db2.gz QNXQXFJORPRVIM-FQEVSTJZSA-N 1 0 475.703 3.845 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001307033852 1069748951 /nfs/dbraw/zinc/74/89/51/1069748951.db2.gz MYWVYSNKEPXFLQ-VQTJNVASSA-N 1 0 457.619 3.557 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2cscn2)C1 ZINC001307035963 1069753366 /nfs/dbraw/zinc/75/33/66/1069753366.db2.gz VVDRURRKQALZOA-KRWDZBQOSA-N 1 0 456.616 3.787 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H](C)CC)nnc2N2CCCN(c3nccc(OCC)n3)CC2)CC1 ZINC001307036263 1069756061 /nfs/dbraw/zinc/75/60/61/1069756061.db2.gz OAJUSZGBVIUNES-NRFANRHFSA-N 1 0 484.693 3.819 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1 ZINC001312163478 1069759093 /nfs/dbraw/zinc/75/90/93/1069759093.db2.gz DIAIQBIGMLIXNM-IBGZPJMESA-N 1 0 451.011 3.985 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1 ZINC001312163480 1069759228 /nfs/dbraw/zinc/75/92/28/1069759228.db2.gz DIAIQBIGMLIXNM-LJQANCHMSA-N 1 0 451.011 3.985 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccccc2F)CC1 ZINC001307037765 1069759904 /nfs/dbraw/zinc/75/99/04/1069759904.db2.gz XIESOTQLMLPLBU-UHFFFAOYSA-N 1 0 465.577 3.823 20 0 JHADRO CC(C)CC[NH+]1CCC(CNC(=O)N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC001312164402 1069759897 /nfs/dbraw/zinc/75/98/97/1069759897.db2.gz CPYRRPOSXHEYSE-LJQANCHMSA-N 1 0 459.553 3.845 20 0 JHADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC001312166414 1069760345 /nfs/dbraw/zinc/76/03/45/1069760345.db2.gz MTUGBZIFIJRCHK-QFIPXVFZSA-N 1 0 454.453 3.800 20 0 JHADRO COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)NC[C@]1([NH+](C)C)CCSC1)CC2 ZINC001312165767 1069760722 /nfs/dbraw/zinc/76/07/22/1069760722.db2.gz GFALRVWUYRHJTE-ILBGXUMGSA-N 1 0 455.624 3.798 20 0 JHADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001312166455 1069761362 /nfs/dbraw/zinc/76/13/62/1069761362.db2.gz NBSRFCLAROXBOW-LJQANCHMSA-N 1 0 454.537 3.868 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)C1 ZINC001307038546 1069761361 /nfs/dbraw/zinc/76/13/61/1069761361.db2.gz HHETUEZTNCAUFF-IRLDBZIGSA-N 1 0 487.092 3.947 20 0 JHADRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)CC1 ZINC001312168225 1069762528 /nfs/dbraw/zinc/76/25/28/1069762528.db2.gz TWVPZCBZDPXHDY-OAQYLSRUSA-N 1 0 457.623 3.855 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001307039094 1069763010 /nfs/dbraw/zinc/76/30/10/1069763010.db2.gz PZBGJESDWGMSRH-UHFFFAOYSA-N 1 0 473.065 3.736 20 0 JHADRO COc1ccccc1[C@H]1CCCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC001312171066 1069764294 /nfs/dbraw/zinc/76/42/94/1069764294.db2.gz KRAQWUJIDCBKMP-NRFANRHFSA-N 1 0 458.647 3.601 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CCc3ccc(OC)cc3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001307041434 1069769336 /nfs/dbraw/zinc/76/93/36/1069769336.db2.gz JGURJVFMLJJLJE-NRFANRHFSA-N 1 0 455.647 3.809 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(OC)cc2OC)C1 ZINC001307040113 1069765812 /nfs/dbraw/zinc/76/58/12/1069765812.db2.gz WFMHJNNWPSJVCE-IBGZPJMESA-N 1 0 450.587 3.726 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001307039958 1069765883 /nfs/dbraw/zinc/76/58/83/1069765883.db2.gz HVRXIZMRJMHEFE-OAQYLSRUSA-N 1 0 497.688 3.832 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001307039957 1069766027 /nfs/dbraw/zinc/76/60/27/1069766027.db2.gz HVRXIZMRJMHEFE-NRFANRHFSA-N 1 0 497.688 3.832 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001307041241 1069768632 /nfs/dbraw/zinc/76/86/32/1069768632.db2.gz HQYRRISQGINDDX-SFHVURJKSA-N 1 0 480.629 3.873 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001307041719 1069769917 /nfs/dbraw/zinc/76/99/17/1069769917.db2.gz HPOHYOQZSYQXKI-UYAOXDASSA-N 1 0 472.600 3.715 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001307041843 1069770051 /nfs/dbraw/zinc/77/00/51/1069770051.db2.gz VCQSCSMFBUZCHZ-WOJBJXKFSA-N 1 0 466.552 3.544 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(Br)s2)CC1 ZINC001307042207 1069771426 /nfs/dbraw/zinc/77/14/26/1069771426.db2.gz ITUJTEAJRIANQW-QGZVFWFLSA-N 1 0 495.491 3.812 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001307043388 1069774520 /nfs/dbraw/zinc/77/45/20/1069774520.db2.gz JWCFFYHYMQYMPZ-RTBURBONSA-N 1 0 499.603 3.567 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001314195663 1069771745 /nfs/dbraw/zinc/77/17/45/1069771745.db2.gz DXIRODGYZHEHTF-SFTDATJTSA-N 1 0 498.672 3.654 20 0 JHADRO C[C@@H](CCNC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC001312189190 1069771989 /nfs/dbraw/zinc/77/19/89/1069771989.db2.gz KKPWQMLRJQDETF-HFZDXXHNSA-N 1 0 452.599 3.997 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)C1 ZINC001307045050 1069779593 /nfs/dbraw/zinc/77/95/93/1069779593.db2.gz CEUGYTBTMZRZEC-VXKWHMMOSA-N 1 0 470.687 3.716 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001307044303 1069777367 /nfs/dbraw/zinc/77/73/67/1069777367.db2.gz PKUBZFKKLRVYHE-YADHBBJMSA-N 1 0 490.693 3.645 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)NCC[C@H]1COc2ccccc2O1 ZINC001312201802 1069777501 /nfs/dbraw/zinc/77/75/01/1069777501.db2.gz BSAXLDQJNJBSRO-QHCPKHFHSA-N 1 0 453.583 3.587 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)C1 ZINC001307044611 1069777998 /nfs/dbraw/zinc/77/79/98/1069777998.db2.gz GZRMXKXCNBQYMM-LEWJYISDSA-N 1 0 483.657 3.886 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001314197059 1069778446 /nfs/dbraw/zinc/77/84/46/1069778446.db2.gz LZJIQFYFMYEUFV-IRXDYDNUSA-N 1 0 485.551 3.661 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001307044597 1069778966 /nfs/dbraw/zinc/77/89/66/1069778966.db2.gz RRWUPFWTGTYOIK-JOCHJYFZSA-N 1 0 490.693 3.740 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@H](C(=O)OC)C3)n2C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC001314198355 1069782735 /nfs/dbraw/zinc/78/27/35/1069782735.db2.gz OMZXBIJITOAPSP-HKBOAZHASA-N 1 0 485.629 3.691 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001307044964 1069780155 /nfs/dbraw/zinc/78/01/55/1069780155.db2.gz BVRNHUCQBRUTEG-WZONZLPQSA-N 1 0 457.619 3.698 20 0 JHADRO CN(C[C@]1(O)CCc2ccccc21)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001312206013 1069781527 /nfs/dbraw/zinc/78/15/27/1069781527.db2.gz ZDSOVSOFZIODQV-HHHXNRCGSA-N 1 0 451.611 3.533 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Br)s3)n2CCc2n[nH]c(C)n2)CC1 ZINC001307045413 1069782435 /nfs/dbraw/zinc/78/24/35/1069782435.db2.gz IJSLGJWMASLMCX-UHFFFAOYSA-N 1 0 493.479 3.749 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CCC(N)=O)CC2)CC1 ZINC001307046438 1069785279 /nfs/dbraw/zinc/78/52/79/1069785279.db2.gz LADZMWQAHBDJRF-ISKFKSNPSA-N 1 0 488.721 3.801 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@H](OC)C3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001314198779 1069785427 /nfs/dbraw/zinc/78/54/27/1069785427.db2.gz KKBYDMMWMSUESJ-ZRCGQRJVSA-N 1 0 457.619 3.916 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CC[C@@H](COC)C2)C1 ZINC001307047049 1069787675 /nfs/dbraw/zinc/78/76/75/1069787675.db2.gz UKSFEDHYOLYVRZ-RBUKOAKNSA-N 1 0 492.462 3.824 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCCN(C(C)=O)CC3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001314199562 1069787853 /nfs/dbraw/zinc/78/78/53/1069787853.db2.gz JUNSGEHZODSXBG-OAQYLSRUSA-N 1 0 498.672 3.750 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCCN(C(C)=O)CC3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001314199561 1069788070 /nfs/dbraw/zinc/78/80/70/1069788070.db2.gz JUNSGEHZODSXBG-NRFANRHFSA-N 1 0 498.672 3.750 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001307047792 1069791457 /nfs/dbraw/zinc/79/14/57/1069791457.db2.gz ZZFQSLJVTDZPIL-SANMLTNESA-N 1 0 484.714 3.963 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2CCCn2ccnc2C)CC1 ZINC001307047918 1069792027 /nfs/dbraw/zinc/79/20/27/1069792027.db2.gz FINRJGOEXHRPER-UHFFFAOYSA-N 1 0 453.610 3.914 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(OC(C)(C)C)CC2)C1 ZINC001307048340 1069793252 /nfs/dbraw/zinc/79/32/52/1069793252.db2.gz AFEADIZMXWPFKD-URVUXULASA-N 1 0 463.667 3.518 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)C(C)C)CC1 ZINC001307048597 1069794027 /nfs/dbraw/zinc/79/40/27/1069794027.db2.gz FGIOBDFGIKYQJP-JOCHJYFZSA-N 1 0 481.483 3.764 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)cc3OC)n2C[C@](C)(O)c2ccco2)CC1 ZINC001307049804 1069798837 /nfs/dbraw/zinc/79/88/37/1069798837.db2.gz OJRWWSZGVOBCNY-SANMLTNESA-N 1 0 483.613 3.774 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccnc3)n2Cc2cccc(C(OC)OC)c2)CC1 ZINC001307050120 1069799454 /nfs/dbraw/zinc/79/94/54/1069799454.db2.gz SJXSGWQQQUEETI-UHFFFAOYSA-N 1 0 464.614 3.990 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)NC(C)C)CC1 ZINC001307050236 1069799522 /nfs/dbraw/zinc/79/95/22/1069799522.db2.gz BKBXQEPTVPRVOE-UHFFFAOYSA-N 1 0 497.471 3.999 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001307049475 1069797333 /nfs/dbraw/zinc/79/73/33/1069797333.db2.gz LMBDJWNAHOAGRD-VWLOTQADSA-N 1 0 452.578 3.698 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccn3)n2Cc2c(CC)nn(C)c2CC)CC1 ZINC001307050445 1069800900 /nfs/dbraw/zinc/80/09/00/1069800900.db2.gz WVHWSEJOBDKYFW-UHFFFAOYSA-N 1 0 450.635 3.557 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@H](NC(C)=O)C3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001314202375 1069801797 /nfs/dbraw/zinc/80/17/97/1069801797.db2.gz PXLHWWOSYFKSCU-GGAORHGYSA-N 1 0 498.672 3.654 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001307050995 1069802372 /nfs/dbraw/zinc/80/23/72/1069802372.db2.gz CIJHDYSONJFFPH-UHFFFAOYSA-N 1 0 490.443 3.860 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001307051649 1069804960 /nfs/dbraw/zinc/80/49/60/1069804960.db2.gz RBQZNXZGMZPKOK-DHIUTWEWSA-N 1 0 468.646 3.649 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2CC2=CCCOC2)cc1 ZINC001314202933 1069805331 /nfs/dbraw/zinc/80/53/31/1069805331.db2.gz ZZCXTTBYHOZWKY-UXHICEINSA-N 1 0 455.603 3.694 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1ccccc1F ZINC001307052128 1069807213 /nfs/dbraw/zinc/80/72/13/1069807213.db2.gz ZKTLGAXNILMQNS-NRFANRHFSA-N 1 0 456.610 3.597 20 0 JHADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C)cc1N1CCOCC1 ZINC001312251570 1069809775 /nfs/dbraw/zinc/80/97/75/1069809775.db2.gz OQARVUJYRCNBSX-DEOSSOPVSA-N 1 0 450.627 3.885 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cn4ccccc4n3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 ZINC001307052892 1069809933 /nfs/dbraw/zinc/80/99/33/1069809933.db2.gz IRDRFUDRAFQCDU-RXFWQSSRSA-N 1 0 467.662 3.624 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001307052920 1069809994 /nfs/dbraw/zinc/80/99/94/1069809994.db2.gz ABIWTPMWYYRRFL-PZJWPPBQSA-N 1 0 485.629 3.616 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@H]1c1ccc(Cl)cc1 ZINC001312252155 1069810951 /nfs/dbraw/zinc/81/09/51/1069810951.db2.gz JAPFUBMPRGUHQZ-VQROGVPDSA-N 1 0 455.986 3.901 20 0 JHADRO CCOc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)c1 ZINC001314205334 1069814770 /nfs/dbraw/zinc/81/47/70/1069814770.db2.gz DYBFBXGAFOYHCJ-FYYLOGMGSA-N 1 0 457.619 3.514 20 0 JHADRO C[C@H]1C[C@H](NC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C[N@@H+]1Cc1ccccc1 ZINC001312256534 1069815382 /nfs/dbraw/zinc/81/53/82/1069815382.db2.gz VPHBCNIODQHKIA-FBEWHJACSA-N 1 0 458.400 3.929 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001307055394 1069821458 /nfs/dbraw/zinc/82/14/58/1069821458.db2.gz PGPPZGKXAISHKI-YPAWHYETSA-N 1 0 498.672 3.748 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](COC)C1 ZINC001307055969 1069823721 /nfs/dbraw/zinc/82/37/21/1069823721.db2.gz RUTFHEGNUZFORM-MOPGFXCFSA-N 1 0 492.462 3.824 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 ZINC001307054963 1069819280 /nfs/dbraw/zinc/81/92/80/1069819280.db2.gz HZFARLRVNZDIQV-VQTJNVASSA-N 1 0 457.619 3.569 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001307055210 1069820030 /nfs/dbraw/zinc/82/00/30/1069820030.db2.gz NLFJJVQYYMVFMJ-YLJYHZDGSA-N 1 0 489.462 3.639 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001307055208 1069820381 /nfs/dbraw/zinc/82/03/81/1069820381.db2.gz NLFJJVQYYMVFMJ-PXNSSMCTSA-N 1 0 489.462 3.639 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001307056152 1069824729 /nfs/dbraw/zinc/82/47/29/1069824729.db2.gz CFGDAFOSEOAOCZ-TZIWHRDSSA-N 1 0 480.078 3.735 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001307056149 1069825607 /nfs/dbraw/zinc/82/56/07/1069825607.db2.gz CFGDAFOSEOAOCZ-CTNGQTDRSA-N 1 0 480.078 3.735 20 0 JHADRO CC(C)C[C@@H](CNC(=O)N1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2)[NH2+][C@H](C)c1ccccc1 ZINC001312269369 1069826633 /nfs/dbraw/zinc/82/66/33/1069826633.db2.gz HCAHSOJQEHTLJV-ZIUBFTGCSA-N 1 0 453.631 3.710 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)[C@H]1CC ZINC001307056608 1069828596 /nfs/dbraw/zinc/82/85/96/1069828596.db2.gz UTDLQBOFKLOPEB-WOJBJXKFSA-N 1 0 489.462 3.687 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001307056379 1069827092 /nfs/dbraw/zinc/82/70/92/1069827092.db2.gz SJMZWMGDTIERSV-QUCCMNQESA-N 1 0 452.603 3.774 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C)C1 ZINC001307056679 1069829394 /nfs/dbraw/zinc/82/93/94/1069829394.db2.gz WDRHNBVTDOSYHK-RDJZCZTQSA-N 1 0 451.413 3.525 20 0 JHADRO CCOc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[N@H+](CC)[C@H](C)C2)c1OC(F)F ZINC001314209846 1069830153 /nfs/dbraw/zinc/83/01/53/1069830153.db2.gz JWXFLFVBFXKXFI-MJGOQNOKSA-N 1 0 479.572 3.751 20 0 JHADRO CCOc1ccccc1C(=O)N1CCN(c2nnc(CC)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001314210619 1069832408 /nfs/dbraw/zinc/83/24/08/1069832408.db2.gz QLVWFPFUUOSTFR-SZPZYZBQSA-N 1 0 496.700 3.958 20 0 JHADRO COc1ccc(CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C2CCCCC2)cc1OC ZINC001312280466 1069834563 /nfs/dbraw/zinc/83/45/63/1069834563.db2.gz FCAXXCDCABKJDM-XZOQPEGZSA-N 1 0 459.631 3.926 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001307058788 1069840796 /nfs/dbraw/zinc/84/07/96/1069840796.db2.gz PYYYSJOALFOPSW-VXKWHMMOSA-N 1 0 458.695 3.874 20 0 JHADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)NC1(c2ccccc2Br)CCC1 ZINC001312289535 1069840914 /nfs/dbraw/zinc/84/09/14/1069840914.db2.gz VPFDJQRRMMNWDP-WOJBJXKFSA-N 1 0 450.421 3.895 20 0 JHADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001312289919 1069841061 /nfs/dbraw/zinc/84/10/61/1069841061.db2.gz XPGMUWUXGSZXDN-HMXCVIKNSA-N 1 0 452.437 3.837 20 0 JHADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001312289818 1069841231 /nfs/dbraw/zinc/84/12/31/1069841231.db2.gz WQGOUTNDVXIHBO-UODIDJSMSA-N 1 0 451.611 3.700 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001307058992 1069841338 /nfs/dbraw/zinc/84/13/38/1069841338.db2.gz RRHBKFXPJASJCZ-RBUKOAKNSA-N 1 0 471.568 3.784 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001307059485 1069845706 /nfs/dbraw/zinc/84/57/06/1069845706.db2.gz XGBRNTWLYYLRKC-FSSWDIPSSA-N 1 0 490.693 3.882 20 0 JHADRO CCCN1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2([NH+](C)C)CCCC2)CC1=O ZINC001307060496 1069848883 /nfs/dbraw/zinc/84/88/83/1069848883.db2.gz KNGCWHQLAPAMHW-FQEVSTJZSA-N 1 0 486.636 3.880 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2([NH+](C)C)CCCC2)CC1=O ZINC001307060497 1069849181 /nfs/dbraw/zinc/84/91/81/1069849181.db2.gz KNGCWHQLAPAMHW-HXUWFJFHSA-N 1 0 486.636 3.880 20 0 JHADRO CC(=O)N1CC[C@@H](NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c2ccccc21 ZINC001312305257 1069849907 /nfs/dbraw/zinc/84/99/07/1069849907.db2.gz OXWNPODKVVCUCH-AUSIDOKSSA-N 1 0 450.583 3.684 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC=C(C)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001314218067 1069857338 /nfs/dbraw/zinc/85/73/38/1069857338.db2.gz RWYKPLDHBKREAG-QFIPXVFZSA-N 1 0 469.630 3.913 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC[N@H+](C)C(C)C ZINC001314218180 1069857239 /nfs/dbraw/zinc/85/72/39/1069857239.db2.gz SGIZUQMHSQAKJW-PXNSSMCTSA-N 1 0 485.551 3.752 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCC[C@H]2C)CC1=O ZINC001307061868 1069855179 /nfs/dbraw/zinc/85/51/79/1069855179.db2.gz MGNIILKIGLJAHR-MRXNPFEDSA-N 1 0 495.491 3.702 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001307063232 1069861705 /nfs/dbraw/zinc/86/17/05/1069861705.db2.gz OBDITBBKAUUPLA-OALUTQOASA-N 1 0 472.659 3.560 20 0 JHADRO COC[C@]1(CNC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC001312314529 1069857471 /nfs/dbraw/zinc/85/74/71/1069857471.db2.gz OSCDBGKRFCQNIS-AIUHUKMKSA-N 1 0 451.611 3.701 20 0 JHADRO CCOC(=O)c1csc([C@H]2CCCN2C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)n1 ZINC001312335578 1069870779 /nfs/dbraw/zinc/87/07/79/1069870779.db2.gz DDFZFGBEXBANEC-OXQOHEQNSA-N 1 0 457.600 3.787 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1=O ZINC001307065846 1069872261 /nfs/dbraw/zinc/87/22/61/1069872261.db2.gz RMTCQJKYBIMUFN-KDYSTLNUSA-N 1 0 484.664 3.967 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2C[NH+](CC)CC)CC1=O ZINC001307067697 1069878490 /nfs/dbraw/zinc/87/84/90/1069878490.db2.gz YEBUNYCCHVQHEZ-DEOSSOPVSA-N 1 0 482.673 3.859 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N(C)[C@@H](C)CC(N)=O)nnc1C1(c2ccccc2)CCC1 ZINC001307070132 1069885174 /nfs/dbraw/zinc/88/51/74/1069885174.db2.gz XSWVENZQDRCBHR-RBBKRZOGSA-N 1 0 452.647 3.713 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001307070257 1069885697 /nfs/dbraw/zinc/88/56/97/1069885697.db2.gz ZYMMWCKIMBIKGW-FQEVSTJZSA-N 1 0 498.569 3.945 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CC(F)(F)F ZINC001314224642 1069886474 /nfs/dbraw/zinc/88/64/74/1069886474.db2.gz SLCRLRTWUYQMMS-KRWDZBQOSA-N 1 0 453.509 3.883 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001307070041 1069884163 /nfs/dbraw/zinc/88/41/63/1069884163.db2.gz VYLINNLTMWLPGS-UYAOXDASSA-N 1 0 476.021 3.774 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@H](C(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001314224338 1069884466 /nfs/dbraw/zinc/88/44/66/1069884466.db2.gz ALFRWNXLBMYCJZ-QHCPKHFHSA-N 1 0 457.619 3.603 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCSC[C@@H]2C)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001314225286 1069889909 /nfs/dbraw/zinc/88/99/09/1069889909.db2.gz GGPQAZODCHLCFA-PMACEKPBSA-N 1 0 459.660 3.929 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc(C(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)CC2)n1 ZINC001314225515 1069890473 /nfs/dbraw/zinc/89/04/73/1069890473.db2.gz HYDTUAPDVIFIBW-FQEVSTJZSA-N 1 0 484.674 3.671 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001314226712 1069896996 /nfs/dbraw/zinc/89/69/96/1069896996.db2.gz VLHLTHHCMBAZJU-VSKRKVRLSA-N 1 0 471.646 3.991 20 0 JHADRO C[C@@H](NC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312383148 1069898862 /nfs/dbraw/zinc/89/88/62/1069898862.db2.gz MVHYQTAHJAIVLF-QSAXNBNMSA-N 1 0 456.631 3.986 20 0 JHADRO C[C@H](NC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312383144 1069899351 /nfs/dbraw/zinc/89/93/51/1069899351.db2.gz MVHYQTAHJAIVLF-IYCJUYGXSA-N 1 0 456.631 3.986 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCOC[C@@H]2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314228774 1069908185 /nfs/dbraw/zinc/90/81/85/1069908185.db2.gz LWIYRGRJMKDBTF-ICSRJNTNSA-N 1 0 471.627 3.845 20 0 JHADRO CC[C@]1(CNC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)OCCc2ccccc21 ZINC001312395638 1069908331 /nfs/dbraw/zinc/90/83/31/1069908331.db2.gz ZAFDEOAAIUPYNP-HHHXNRCGSA-N 1 0 451.611 3.881 20 0 JHADRO CC[NH+](CC)CCCSc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1OC ZINC001307260877 1069917856 /nfs/dbraw/zinc/91/78/56/1069917856.db2.gz YQBIYUCREUPZTM-UHFFFAOYSA-N 1 0 451.596 3.925 20 0 JHADRO CCOc1ncccc1Cn1c(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC001314232786 1069923129 /nfs/dbraw/zinc/92/31/29/1069923129.db2.gz KPILTOSBKHAEHH-UHFFFAOYSA-N 1 0 491.684 3.672 20 0 JHADRO 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CCO[C@H]1C[C@H](N(C)c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1(C)C ZINC001314246932 1069965234 /nfs/dbraw/zinc/96/52/34/1069965234.db2.gz CEVSPSYHTGMSAY-HKBOAZHASA-N 1 0 463.667 3.659 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+](C)C)C12CCC2 ZINC001314248654 1069971595 /nfs/dbraw/zinc/97/15/95/1069971595.db2.gz YULMTNWHARWJKS-ZPMCFJSWSA-N 1 0 457.619 3.696 20 0 JHADRO O=C(NCc1cc(-c2ccc(F)cc2F)on1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001312501404 1069976426 /nfs/dbraw/zinc/97/64/26/1069976426.db2.gz UTJDDWYBIRJENF-FQEVSTJZSA-N 1 0 456.493 3.710 20 0 JHADRO CC(C)[C@@H](CNC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001312524923 1069990456 /nfs/dbraw/zinc/99/04/56/1069990456.db2.gz WEYNCYZVDGJPGG-HXUWFJFHSA-N 1 0 454.537 3.730 20 0 JHADRO CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@@H+]3CCC[C@H]3C3CCC3)C2=O)cc1 ZINC001307451469 1069992311 /nfs/dbraw/zinc/99/23/11/1069992311.db2.gz BOIWPFRPBWWPNW-GDUPUGJQSA-N 1 0 457.596 3.502 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001312533541 1069996567 /nfs/dbraw/zinc/99/65/67/1069996567.db2.gz RUKHAVKMGFQVPD-KAOXLYBCSA-N 1 0 456.631 3.986 20 0 JHADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)C(C)C)cc1 ZINC001307463090 1069999608 /nfs/dbraw/zinc/99/96/08/1069999608.db2.gz WXTNURDNLNHACG-NNWRFLSQSA-N 1 0 463.619 3.789 20 0 JHADRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001307478923 1070007158 /nfs/dbraw/zinc/00/71/58/1070007158.db2.gz MKCAAAWMUGQAKI-OALUTQOASA-N 1 0 451.633 3.709 20 0 JHADRO C[N@H+](CC1(c2ccc(Br)cc2)CC1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001307485218 1070011347 /nfs/dbraw/zinc/01/13/47/1070011347.db2.gz DGQWWVYIEUOJTG-LEWJYISDSA-N 1 0 459.384 3.794 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+](C)C(C)C)C1 ZINC001314265429 1070012581 /nfs/dbraw/zinc/01/25/81/1070012581.db2.gz IBPQDYPDUAXWQC-QFIPXVFZSA-N 1 0 456.635 3.883 20 0 JHADRO CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1CCC[C@H]1C(C)C ZINC001307492708 1070016288 /nfs/dbraw/zinc/01/62/88/1070016288.db2.gz DTDPMYIJRFBCEM-NRFANRHFSA-N 1 0 451.633 3.707 20 0 JHADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001312558988 1070013745 /nfs/dbraw/zinc/01/37/45/1070013745.db2.gz YIFHTBOKGDZLFN-ZCYQVOJMSA-N 1 0 450.627 3.995 20 0 JHADRO CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@@H+]3CC[C@@H](CC(C)C)C3)C2=O)cc1 ZINC001307505213 1070022288 /nfs/dbraw/zinc/02/22/88/1070022288.db2.gz CMHIRILCHDPLLL-ORTNRGLGSA-N 1 0 459.612 3.606 20 0 JHADRO CCC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001307505289 1070022332 /nfs/dbraw/zinc/02/23/32/1070022332.db2.gz YWQHWOQHOPUXJU-FCHUYYIVSA-N 1 0 459.587 3.946 20 0 JHADRO CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001312574272 1070023186 /nfs/dbraw/zinc/02/31/86/1070023186.db2.gz MDEKFJWYBFGCHS-PKTZIBPZSA-N 1 0 450.583 3.954 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314271906 1070027124 /nfs/dbraw/zinc/02/71/24/1070027124.db2.gz RRVKTETWFHJSNA-PZJWPPBQSA-N 1 0 457.619 3.700 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314271905 1070027483 /nfs/dbraw/zinc/02/74/83/1070027483.db2.gz RRVKTETWFHJSNA-FPOVZHCZSA-N 1 0 457.619 3.700 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC001312587519 1070032117 /nfs/dbraw/zinc/03/21/17/1070032117.db2.gz XZPNATLBINNLIR-HSZRJFAPSA-N 1 0 454.521 3.641 20 0 JHADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 ZINC001307518214 1070029703 /nfs/dbraw/zinc/02/97/03/1070029703.db2.gz AVJUQUQLKJPCHB-LJQANCHMSA-N 1 0 459.594 3.671 20 0 JHADRO O=C(C[N@@H+]1CC[C@@H]1Cc1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001307517478 1070029958 /nfs/dbraw/zinc/02/99/58/1070029958.db2.gz VGXFWASYXZYDLQ-GOSISDBHSA-N 1 0 452.908 3.719 20 0 JHADRO CC[N@H+](CC(=O)NCCOc1cccc(F)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001307528608 1070036524 /nfs/dbraw/zinc/03/65/24/1070036524.db2.gz IPTPLLNCRUZFJK-UHFFFAOYSA-N 1 0 457.594 3.533 20 0 JHADRO Cc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)CC2)nc1 ZINC001307535364 1070039841 /nfs/dbraw/zinc/03/98/41/1070039841.db2.gz MOENDGNLIVUSIA-LJQANCHMSA-N 1 0 457.372 3.757 20 0 JHADRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001312607086 1070041683 /nfs/dbraw/zinc/04/16/83/1070041683.db2.gz CHXUKQWGDFHAKY-IBGZPJMESA-N 1 0 453.425 3.564 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001314277831 1070038576 /nfs/dbraw/zinc/03/85/76/1070038576.db2.gz YLZKHOGUKNAZCD-HXUWFJFHSA-N 1 0 459.610 3.979 20 0 JHADRO C[C@@]1(CNC(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001312616384 1070046883 /nfs/dbraw/zinc/04/68/83/1070046883.db2.gz UQGCPKCCSSCFOZ-RDGATRHJSA-N 1 0 453.562 3.643 20 0 JHADRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1(CC)CC ZINC001307550656 1070047618 /nfs/dbraw/zinc/04/76/18/1070047618.db2.gz HXNDYJWPONFFDW-RTBURBONSA-N 1 0 457.446 3.953 20 0 JHADRO CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC001307563694 1070053697 /nfs/dbraw/zinc/05/36/97/1070053697.db2.gz UTXJBKWOLJSSOV-HXUWFJFHSA-N 1 0 456.562 3.587 20 0 JHADRO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001307571021 1070057077 /nfs/dbraw/zinc/05/70/77/1070057077.db2.gz BRIVDQKGWDHQMX-WMZOPIPTSA-N 1 0 453.974 3.614 20 0 JHADRO COc1cc(OC)c(NC(=O)CC[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC001307566133 1070055385 /nfs/dbraw/zinc/05/53/85/1070055385.db2.gz JLXKUDDOJBROSE-UHFFFAOYSA-N 1 0 459.974 3.922 20 0 JHADRO CCCNc1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001312646273 1070060389 /nfs/dbraw/zinc/06/03/89/1070060389.db2.gz JCPAPKZUESJAQH-HSZRJFAPSA-N 1 0 450.631 3.647 20 0 JHADRO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC001307574814 1070060575 /nfs/dbraw/zinc/06/05/75/1070060575.db2.gz RMQTUYXQTJZFPC-QGZVFWFLSA-N 1 0 459.974 3.622 20 0 JHADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cc(C(=O)OC)ccc2C)[C@H]2CCCC[C@H]12 ZINC001307576497 1070061384 /nfs/dbraw/zinc/06/13/84/1070061384.db2.gz MRADGZOHLWOHRW-BDIVZWSOSA-N 1 0 457.615 3.904 20 0 JHADRO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001307572181 1070058401 /nfs/dbraw/zinc/05/84/01/1070058401.db2.gz SOMRHASJLRHGAY-ZDUSSCGKSA-N 1 0 450.333 3.637 20 0 JHADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@@H]2CCCC[C@H]12 ZINC001307572665 1070059028 /nfs/dbraw/zinc/05/90/28/1070059028.db2.gz BBTDCDOTEDNRFC-YYTZKGGKSA-N 1 0 456.052 3.671 20 0 JHADRO C[C@@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC001312661894 1070069258 /nfs/dbraw/zinc/06/92/58/1070069258.db2.gz UBTPMNZOJUBUKZ-QRWLVFNGSA-N 1 0 452.368 3.784 20 0 JHADRO C[C@H](NC(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC001312658064 1070066987 /nfs/dbraw/zinc/06/69/87/1070066987.db2.gz CBUFTNZQVPGAEX-DZFGPLHGSA-N 1 0 451.575 3.788 20 0 JHADRO CCOCc1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314292075 1070072696 /nfs/dbraw/zinc/07/26/96/1070072696.db2.gz IULHZCKFKNEAOF-VQTJNVASSA-N 1 0 491.702 3.926 20 0 JHADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@@H](CO)c3cccc(Cl)c3Cl)cc2)CC1 ZINC001312672047 1070073616 /nfs/dbraw/zinc/07/36/16/1070073616.db2.gz QJHZSKATOQCZBU-FQEVSTJZSA-N 1 0 452.382 3.999 20 0 JHADRO Cc1ccc(NC(=O)C[NH2+][C@@]2(C)CCCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC001307607601 1070078963 /nfs/dbraw/zinc/07/89/63/1070078963.db2.gz KWLCBERXAZWPOY-VWLOTQADSA-N 1 0 455.624 3.949 20 0 JHADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1)c1ccco1 ZINC001312680760 1070079336 /nfs/dbraw/zinc/07/93/36/1070079336.db2.gz RBPMFSVPEBNIMH-SJORKVTESA-N 1 0 458.525 3.828 20 0 JHADRO CCC[C@@H]1CN([C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC[N@@H+]1Cc1ccccc1 ZINC001307607937 1070079749 /nfs/dbraw/zinc/07/97/49/1070079749.db2.gz PKXSBBXPJOGSMI-JRFVFWCSSA-N 1 0 451.611 3.660 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]21 ZINC001307604063 1070077097 /nfs/dbraw/zinc/07/70/97/1070077097.db2.gz RWGMHAAYCQYTQU-HLAWJBBLSA-N 1 0 457.619 3.636 20 0 JHADRO Cc1nc(-c2ccc([C@H](C)[NH2+]CC(=O)NCC(=O)N[C@@H](C)c3ccc(F)cc3)cc2)cs1 ZINC001307621359 1070084458 /nfs/dbraw/zinc/08/44/58/1070084458.db2.gz QYLYQMYMUXXIFZ-HOTGVXAUSA-N 1 0 454.571 3.902 20 0 JHADRO C[C@H]([NH2+][C@H]1CCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001307624424 1070086950 /nfs/dbraw/zinc/08/69/50/1070086950.db2.gz YLGNBQQCOBKMRT-KKSFZXQISA-N 1 0 455.530 3.671 20 0 JHADRO C[C@H]([NH2+][C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001307624421 1070087014 /nfs/dbraw/zinc/08/70/14/1070087014.db2.gz YLGNBQQCOBKMRT-HRAATJIYSA-N 1 0 455.530 3.671 20 0 JHADRO Cc1ccc(S(=O)(=O)NC[C@H]([NH2+]C[C@H]2COC3(CCCCC3)O2)c2ccccc2)c(C)c1 ZINC001307626356 1070087882 /nfs/dbraw/zinc/08/78/82/1070087882.db2.gz JGRBZASXFPCCLB-GOTSBHOMSA-N 1 0 458.624 3.988 20 0 JHADRO Cc1ccccc1[C@H]([NH2+]CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)C(C)(C)C ZINC001307626999 1070088502 /nfs/dbraw/zinc/08/85/02/1070088502.db2.gz PTQYQYPQYLDYBL-DEOSSOPVSA-N 1 0 457.640 3.902 20 0 JHADRO COc1cc([C@@H](C)[NH2+]CC(=O)N(C)Cc2cc(Br)cs2)cc(OC)c1OC ZINC001307629955 1070089874 /nfs/dbraw/zinc/08/98/74/1070089874.db2.gz HMWGNFJRYBXBHN-GFCCVEGCSA-N 1 0 457.390 3.846 20 0 JHADRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sccc2C(N)=O)ccc1OCc1ccncc1 ZINC001307631812 1070090463 /nfs/dbraw/zinc/09/04/63/1070090463.db2.gz MMHKQFKVLYQCIK-GJZGRUSLSA-N 1 0 454.552 3.507 20 0 JHADRO CCOCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@@H]1CCOC[C@@H]1C ZINC001314304523 1070091007 /nfs/dbraw/zinc/09/10/07/1070091007.db2.gz YTNYRBFVTRGELB-SGKWCMOWSA-N 1 0 455.647 3.977 20 0 JHADRO COc1cc([C@H](C)[NH2+]CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)ccc1OC(C)C ZINC001307632670 1070091860 /nfs/dbraw/zinc/09/18/60/1070091860.db2.gz SMIYKCQXDBNHHY-FQEVSTJZSA-N 1 0 459.631 3.774 20 0 JHADRO CCOCc1nnc(N(C)Cc2ccc(Br)o2)n1CC1CC[NH+](C2CC2)CC1 ZINC001314305585 1070092340 /nfs/dbraw/zinc/09/23/40/1070092340.db2.gz XNSFNZZJXYIFOL-UHFFFAOYSA-N 1 0 452.397 3.681 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)N3CCO[C@@](C)(c4ccccc4)C3)CC2)cc1 ZINC001312717253 1070092934 /nfs/dbraw/zinc/09/29/34/1070092934.db2.gz VURYBMOVOBEEKC-AREMUKBSSA-N 1 0 450.583 3.567 20 0 JHADRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)NCCc2cccc(Cl)c2Cl)cc1 ZINC001307640726 1070095994 /nfs/dbraw/zinc/09/59/94/1070095994.db2.gz QBKMYXBVWFSZEY-OAQYLSRUSA-N 1 0 450.410 3.624 20 0 JHADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C(=O)NCC(C)C)cnn1-c1ccc(F)cc1 ZINC001307641119 1070096934 /nfs/dbraw/zinc/09/69/34/1070096934.db2.gz DOXAMFQDHXWLQX-QGZVFWFLSA-N 1 0 451.546 3.995 20 0 JHADRO C[C@@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001307642475 1070098004 /nfs/dbraw/zinc/09/80/04/1070098004.db2.gz JERUYZPSTMWIEO-CVEARBPZSA-N 1 0 452.020 3.873 20 0 JHADRO CCOCc1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001314317031 1070101479 /nfs/dbraw/zinc/10/14/79/1070101479.db2.gz FQRRJAHRFWGNLW-UHFFFAOYSA-N 1 0 465.708 3.960 20 0 JHADRO CCOC(=O)CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H](C)c1ccccc1 ZINC001307650009 1070101953 /nfs/dbraw/zinc/10/19/53/1070101953.db2.gz QZTUDSBTSLWUSM-FQEVSTJZSA-N 1 0 455.624 3.800 20 0 JHADRO C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC001312750539 1070102577 /nfs/dbraw/zinc/10/25/77/1070102577.db2.gz XHLOONNNTLBKHH-BLFHIAQRSA-N 1 0 452.574 3.842 20 0 JHADRO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC001307653406 1070104469 /nfs/dbraw/zinc/10/44/69/1070104469.db2.gz GAPCESADBJUJLX-ICSRJNTNSA-N 1 0 458.986 3.949 20 0 JHADRO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC001307653403 1070104571 /nfs/dbraw/zinc/10/45/71/1070104571.db2.gz GAPCESADBJUJLX-AZUAARDMSA-N 1 0 458.986 3.949 20 0 JHADRO COc1cc(C)c([C@H](C)NC(=O)CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC001307657052 1070106382 /nfs/dbraw/zinc/10/63/82/1070106382.db2.gz GRWIXLXPCMBOGY-NJYVYQBISA-N 1 0 453.627 3.936 20 0 JHADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001312758299 1070107686 /nfs/dbraw/zinc/10/76/86/1070107686.db2.gz UQXWDXKNUCLDNU-RDPSFJRHSA-N 1 0 454.590 3.960 20 0 JHADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC001307660003 1070108116 /nfs/dbraw/zinc/10/81/16/1070108116.db2.gz XHSXFNJFCBPQDJ-AUUYWEPGSA-N 1 0 454.527 3.786 20 0 JHADRO CCOCc1nnc(N2CCC(=Cc3cccc(OC)c3)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001314323991 1070109557 /nfs/dbraw/zinc/10/95/57/1070109557.db2.gz AJIIBSWAOXZZKZ-JOCHJYFZSA-N 1 0 482.673 3.533 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314324029 1070110251 /nfs/dbraw/zinc/11/02/51/1070110251.db2.gz BLNHACAABJFUCE-KKSFZXQISA-N 1 0 459.557 3.673 20 0 JHADRO COC(=O)COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC001307665182 1070111808 /nfs/dbraw/zinc/11/18/08/1070111808.db2.gz RQQYXUUKGAMIMW-AUUYWEPGSA-N 1 0 452.429 3.593 20 0 JHADRO CC(C)(CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(Br)cc1Cl ZINC001312769575 1070112876 /nfs/dbraw/zinc/11/28/76/1070112876.db2.gz VLWMIIIJEQUIMJ-MRXNPFEDSA-N 1 0 458.828 3.621 20 0 JHADRO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC001307685707 1070124631 /nfs/dbraw/zinc/12/46/31/1070124631.db2.gz XYZPEBAHZCXZOP-CMJOXMDJSA-N 1 0 459.568 3.581 20 0 JHADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001312790746 1070121589 /nfs/dbraw/zinc/12/15/89/1070121589.db2.gz RPNIPSBUVOUAAX-UHFFFAOYSA-N 1 0 458.971 3.564 20 0 JHADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC001307686051 1070124761 /nfs/dbraw/zinc/12/47/61/1070124761.db2.gz ZZSVUDRYKBCPMB-HXUWFJFHSA-N 1 0 456.450 3.968 20 0 JHADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 ZINC001307682142 1070122963 /nfs/dbraw/zinc/12/29/63/1070122963.db2.gz HBKINUXSEIJKCY-JTHBVZDNSA-N 1 0 459.594 3.907 20 0 JHADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001312793431 1070124284 /nfs/dbraw/zinc/12/42/84/1070124284.db2.gz RCUCEWOZIJVFJS-JRGCBEDISA-N 1 0 450.599 3.948 20 0 JHADRO CCOCc1nnc(N2CCC(C(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001314333991 1070128822 /nfs/dbraw/zinc/12/88/22/1070128822.db2.gz LBUULMVXAXZUAO-XMMPIXPASA-N 1 0 455.647 3.692 20 0 JHADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001312799002 1070128993 /nfs/dbraw/zinc/12/89/93/1070128993.db2.gz XCSKUJJWAMUYGZ-IKGGRYGDSA-N 1 0 452.562 3.842 20 0 JHADRO CSC1(CNC(=O)N(C[C@H](O)COc2cccc3ccccc32)C(C)C)CC[NH+](C)CC1 ZINC001312799597 1070130069 /nfs/dbraw/zinc/13/00/69/1070130069.db2.gz GHZQBLVSNSMZSQ-NRFANRHFSA-N 1 0 459.656 3.827 20 0 JHADRO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)cc1F ZINC001312797873 1070127449 /nfs/dbraw/zinc/12/74/49/1070127449.db2.gz JCNWMYMIBSOYGY-KBXCAEBGSA-N 1 0 450.352 3.715 20 0 JHADRO CCOCc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001314332834 1070127813 /nfs/dbraw/zinc/12/78/13/1070127813.db2.gz CHKOXNUSZMZJHC-UZUQRXQVSA-N 1 0 462.038 3.901 20 0 JHADRO CC(C)(C)OC(=O)CN1CC[C@@H]([NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)C1=O ZINC001307695783 1070132656 /nfs/dbraw/zinc/13/26/56/1070132656.db2.gz PONWHOANQAADFP-GOSISDBHSA-N 1 0 456.505 3.739 20 0 JHADRO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]CC(=O)N2CCN(Cc3ccco3)CC2)cc1 ZINC001307700290 1070135145 /nfs/dbraw/zinc/13/51/45/1070135145.db2.gz QHSTYBVNLYBFFX-LOSJGSFVSA-N 1 0 455.599 3.692 20 0 JHADRO CC(C)Oc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2N2CCOCC2)[NH+](C)C)cc1 ZINC001312806400 1070133941 /nfs/dbraw/zinc/13/39/41/1070133941.db2.gz QBOBOWKVJXFPOS-RUZDIDTESA-N 1 0 454.615 3.755 20 0 JHADRO C[C@@H]1[C@@H](NC(=O)N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001312815625 1070138694 /nfs/dbraw/zinc/13/86/94/1070138694.db2.gz MLQRAXPCECRBMN-CZAAIQMYSA-N 1 0 451.489 3.971 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001314340684 1070138668 /nfs/dbraw/zinc/13/86/68/1070138668.db2.gz CHCYZGUVGZTWRB-SFTDATJTSA-N 1 0 478.682 3.772 20 0 JHADRO CCOCc1nnc(N2CCC(c3cnn(C)c3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314341306 1070140292 /nfs/dbraw/zinc/14/02/92/1070140292.db2.gz YUOPNKIMORTIPQ-BGYRXZFFSA-N 1 0 457.667 3.689 20 0 JHADRO O=C(C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307712737 1070139684 /nfs/dbraw/zinc/13/96/84/1070139684.db2.gz NAVOUGJAKRCVLX-VWLOTQADSA-N 1 0 455.986 3.942 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCc1csc(C(C)C)n1 ZINC001314342229 1070143463 /nfs/dbraw/zinc/14/34/63/1070143463.db2.gz AAKKBJAYWJNNSM-BGYRXZFFSA-N 1 0 490.718 3.963 20 0 JHADRO CCOCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001314342641 1070144041 /nfs/dbraw/zinc/14/40/41/1070144041.db2.gz WCNYQHWMTUTBIF-IRLDBZIGSA-N 1 0 486.661 3.811 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1cc(C)cc(OC)c1 ZINC001314343051 1070145730 /nfs/dbraw/zinc/14/57/30/1070145730.db2.gz RAAUSYPOIAACMX-OYRHEFFESA-N 1 0 471.646 3.506 20 0 JHADRO COc1ccccc1[C@@H](CO)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312838033 1070148143 /nfs/dbraw/zinc/14/81/43/1070148143.db2.gz DESGCSJSRKEXIZ-ISJGIBHGSA-N 1 0 463.553 3.835 20 0 JHADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC001307725741 1070150239 /nfs/dbraw/zinc/15/02/39/1070150239.db2.gz YLXGOYNPDIJPST-PGRDOPGGSA-N 1 0 471.411 3.580 20 0 JHADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001312841317 1070150477 /nfs/dbraw/zinc/15/04/77/1070150477.db2.gz OJVYMUBBVMPUQY-RJGXRXQPSA-N 1 0 458.647 3.838 20 0 JHADRO CCOCc1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001314347906 1070156644 /nfs/dbraw/zinc/15/66/44/1070156644.db2.gz VYUPIOXUOODDMR-QHCPKHFHSA-N 1 0 468.646 3.912 20 0 JHADRO CCOCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001314348020 1070156749 /nfs/dbraw/zinc/15/67/49/1070156749.db2.gz ZLVYPESBPDWJPA-UHFFFAOYSA-N 1 0 486.627 3.934 20 0 JHADRO C[C@@H]([NH2+]CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccc(Oc2cccnc2)cc1 ZINC001307744588 1070161969 /nfs/dbraw/zinc/16/19/69/1070161969.db2.gz BZWJALUAUCQHHG-MSOLQXFVSA-N 1 0 450.514 3.657 20 0 JHADRO CCOCc1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001314348791 1070160702 /nfs/dbraw/zinc/16/07/02/1070160702.db2.gz HXVNOSBRRIWEKQ-CPJSRVTESA-N 1 0 459.610 3.564 20 0 JHADRO CCOCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001314349551 1070164390 /nfs/dbraw/zinc/16/43/90/1070164390.db2.gz QNPYXFSYNNOFJF-UHFFFAOYSA-N 1 0 456.635 3.688 20 0 JHADRO CCOCc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001314351293 1070171033 /nfs/dbraw/zinc/17/10/33/1070171033.db2.gz BNZIQKMFWIXHMY-LJQANCHMSA-N 1 0 492.068 3.674 20 0 JHADRO CC[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC(C)C)C1 ZINC001307767661 1070175436 /nfs/dbraw/zinc/17/54/36/1070175436.db2.gz GGHDYAYVLWQJBS-RBUKOAKNSA-N 1 0 453.649 3.953 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](OCc3cccc(OC)c3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314353131 1070173165 /nfs/dbraw/zinc/17/31/65/1070173165.db2.gz VKDDIQDKFZQBGF-DHIUTWEWSA-N 1 0 471.646 3.739 20 0 JHADRO CCOCc1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001314354005 1070174586 /nfs/dbraw/zinc/17/45/86/1070174586.db2.gz CNCBDDLGPXZSKX-FQEVSTJZSA-N 1 0 456.616 3.623 20 0 JHADRO CCOC(=O)C1([S@@](C)=O)CCN(C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001307776813 1070179658 /nfs/dbraw/zinc/17/96/58/1070179658.db2.gz SOIZQERYKFOUMJ-GPNASLBKSA-N 1 0 456.652 3.678 20 0 JHADRO CCOCc1nnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001314358848 1070181316 /nfs/dbraw/zinc/18/13/16/1070181316.db2.gz OPZAGSJINCCHDJ-TZIWHRDSSA-N 1 0 476.666 3.525 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001314362489 1070186638 /nfs/dbraw/zinc/18/66/38/1070186638.db2.gz ZBENVMYBVMUKGG-FQEVSTJZSA-N 1 0 480.579 3.806 20 0 JHADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001312932790 1070187107 /nfs/dbraw/zinc/18/71/07/1070187107.db2.gz MTYZCJUUFIYZRO-UXHICEINSA-N 1 0 455.521 3.681 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001314362865 1070188145 /nfs/dbraw/zinc/18/81/45/1070188145.db2.gz AHLXBHLYEAGSSN-HBMCJLEFSA-N 1 0 486.627 3.790 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCC1CC[NH+](CC)CC1 ZINC001314364858 1070194169 /nfs/dbraw/zinc/19/41/69/1070194169.db2.gz KBTXYVABFVPEIW-NRFANRHFSA-N 1 0 478.682 3.678 20 0 JHADRO CC[N@H+](CCCNC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1)C1CCCCC1 ZINC001312963609 1070202116 /nfs/dbraw/zinc/20/21/16/1070202116.db2.gz HSJICNHPBVERMH-LEWJYISDSA-N 1 0 451.558 3.908 20 0 JHADRO CCN1C[C@@H](CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)[NH+](C)C)CC1=O ZINC001312967859 1070203844 /nfs/dbraw/zinc/20/38/44/1070203844.db2.gz YBSOJMPBTMCADJ-YLJYHZDGSA-N 1 0 457.446 3.960 20 0 JHADRO COc1cc(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c(Br)cc1O ZINC001312967265 1070203214 /nfs/dbraw/zinc/20/32/14/1070203214.db2.gz RHFZHQZQESODGV-UHFFFAOYSA-N 1 0 452.349 3.562 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC2(O)CCCCC2)CC[C@H]1c1ccc(F)cc1 ZINC001307829529 1070204156 /nfs/dbraw/zinc/20/41/56/1070204156.db2.gz UXWSDYSLNMQQOO-BHIFYINESA-N 1 0 450.595 3.955 20 0 JHADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001312971700 1070204457 /nfs/dbraw/zinc/20/44/57/1070204457.db2.gz AZSROJNIQTWHOI-DENIHFKCSA-N 1 0 459.635 3.628 20 0 JHADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001307831446 1070204752 /nfs/dbraw/zinc/20/47/52/1070204752.db2.gz VETZNZLDXYZVBF-NXCFDTQHSA-N 1 0 468.594 3.520 20 0 JHADRO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c1C ZINC001307836468 1070205956 /nfs/dbraw/zinc/20/59/56/1070205956.db2.gz GNQGAAHYQRWHBG-RYQLBKOJSA-N 1 0 451.489 3.609 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1(C)C ZINC001307843626 1070208889 /nfs/dbraw/zinc/20/88/89/1070208889.db2.gz HVRCPEFTNZYJLH-KRWDZBQOSA-N 1 0 459.509 3.622 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001314370031 1070206811 /nfs/dbraw/zinc/20/68/11/1070206811.db2.gz UFMZRYKYVBWGDB-HXUWFJFHSA-N 1 0 478.682 3.915 20 0 JHADRO CC(C)N(C(=O)C[NH+]1CCC([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1)C1CCCC1 ZINC001307839458 1070207137 /nfs/dbraw/zinc/20/71/37/1070207137.db2.gz HLUYOOQIMHJSBO-RBBKRZOGSA-N 1 0 451.652 3.950 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](C[C@H](O)COc3ccc(Cl)cc3Br)[C@@H]2C1 ZINC001307839752 1070207228 /nfs/dbraw/zinc/20/72/28/1070207228.db2.gz POPXURUFRVWQEN-JLJPHGGASA-N 1 0 475.811 3.783 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001314370523 1070207210 /nfs/dbraw/zinc/20/72/10/1070207210.db2.gz XPBKUVJOPXGOFX-WOJBJXKFSA-N 1 0 464.655 3.525 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3Br)[C@@H]2C1 ZINC001307839753 1070207364 /nfs/dbraw/zinc/20/73/64/1070207364.db2.gz POPXURUFRVWQEN-YSVLISHTSA-N 1 0 475.811 3.783 20 0 JHADRO CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C[N@@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC001307841798 1070208928 /nfs/dbraw/zinc/20/89/28/1070208928.db2.gz FBNZWXVUODGKGK-LJQANCHMSA-N 1 0 451.633 3.565 20 0 JHADRO CCOCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCOc1ccc(F)c(Cl)c1 ZINC001314370698 1070207963 /nfs/dbraw/zinc/20/79/63/1070207963.db2.gz ZCNKIMFKZKKPOX-KRWDZBQOSA-N 1 0 451.974 3.751 20 0 JHADRO CC[C@H]([NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C)c1ccccc1 ZINC001307850181 1070210351 /nfs/dbraw/zinc/21/03/51/1070210351.db2.gz SFTXLBDYULZRKT-NRFANRHFSA-N 1 0 458.628 3.607 20 0 JHADRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001312989470 1070212739 /nfs/dbraw/zinc/21/27/39/1070212739.db2.gz YTKWAWWEYNNEPQ-VLCRHTCISA-N 1 0 462.610 3.950 20 0 JHADRO CCOCc1nnc(N2CCCN(c3nc(C)ns3)CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001314375678 1070214500 /nfs/dbraw/zinc/21/45/00/1070214500.db2.gz SIHUUNRAUIBYNM-QFIPXVFZSA-N 1 0 498.701 3.557 20 0 JHADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCCC[C@@H]1Cc1ccccc1Br ZINC001312993458 1070215507 /nfs/dbraw/zinc/21/55/07/1070215507.db2.gz BAELGVBFHKNYNP-AZUAARDMSA-N 1 0 453.469 3.828 20 0 JHADRO CC(C)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307870322 1070217795 /nfs/dbraw/zinc/21/77/95/1070217795.db2.gz MPFWPEOUUSPANG-IBGZPJMESA-N 1 0 454.640 3.649 20 0 JHADRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC001307876523 1070219660 /nfs/dbraw/zinc/21/96/60/1070219660.db2.gz AEQHZJABWDDQGK-XZOQPEGZSA-N 1 0 477.605 3.965 20 0 JHADRO CCOCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CC1(O)CCCCCC1 ZINC001314377599 1070219846 /nfs/dbraw/zinc/21/98/46/1070219846.db2.gz FRKKSUJNKSARDL-UHFFFAOYSA-N 1 0 459.610 3.751 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)C[C@H]1c1ccc(Cl)cc1 ZINC001307882007 1070222240 /nfs/dbraw/zinc/22/22/40/1070222240.db2.gz FFVNPKQKEWLRKF-HULNYRCFSA-N 1 0 479.017 3.945 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)C1(C)C ZINC001307888875 1070226708 /nfs/dbraw/zinc/22/67/08/1070226708.db2.gz YWVBKNADWSAGNZ-IXDOHACOSA-N 1 0 452.393 3.836 20 0 JHADRO CCOCc1nnc(N2CCN(C(C)=O)C3(CCCCC3)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314384433 1070229324 /nfs/dbraw/zinc/22/93/24/1070229324.db2.gz FACBCTDDCOWYNN-NRFANRHFSA-N 1 0 474.675 3.550 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001314386144 1070232449 /nfs/dbraw/zinc/23/24/49/1070232449.db2.gz ATXWHPUBAINSJY-NHCUHLMSSA-N 1 0 478.682 3.772 20 0 JHADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC001313048168 1070235461 /nfs/dbraw/zinc/23/54/61/1070235461.db2.gz PCNPGRXCTKKKDY-HXUWFJFHSA-N 1 0 454.537 3.712 20 0 JHADRO COc1cc(NC(=O)CC[NH+]2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)cc(OC)c1OC ZINC001307910012 1070235502 /nfs/dbraw/zinc/23/55/02/1070235502.db2.gz WFYBLJHNBZZNEN-CRAIPNDOSA-N 1 0 458.559 3.502 20 0 JHADRO COc1cc(NC(=O)CC[NH+]2CCC(CCC(=O)OC(C)(C)C)CC2)cc(OC)c1OC ZINC001307917540 1070240062 /nfs/dbraw/zinc/24/00/62/1070240062.db2.gz LEQJFZZOPJAJDX-UHFFFAOYSA-N 1 0 450.576 3.875 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314388808 1070240073 /nfs/dbraw/zinc/24/00/73/1070240073.db2.gz MQKOZVFZWRYCDB-REHUZNOOSA-N 1 0 475.707 3.665 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001314388780 1070240146 /nfs/dbraw/zinc/24/01/46/1070240146.db2.gz LPFUESYFICVSAA-RTBURBONSA-N 1 0 460.589 3.542 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001307918167 1070240369 /nfs/dbraw/zinc/24/03/69/1070240369.db2.gz CYOADIYXALFVJW-WIYYLYMNSA-N 1 0 465.554 3.590 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001314390480 1070243874 /nfs/dbraw/zinc/24/38/74/1070243874.db2.gz SWRHFAZIQCRFKD-LJQANCHMSA-N 1 0 476.616 3.850 20 0 JHADRO CNC(=O)[C@H](NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCCC1)c1ccccc1 ZINC001307922830 1070243965 /nfs/dbraw/zinc/24/39/65/1070243965.db2.gz BHAFSAQSGPGZMZ-OAQYLSRUSA-N 1 0 458.400 3.802 20 0 JHADRO CCOCc1nnc(N2CCN(c3cccc(OC)c3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314390892 1070245264 /nfs/dbraw/zinc/24/52/64/1070245264.db2.gz PCSSJCLLZHXEII-RLWLMLJZSA-N 1 0 470.662 3.660 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](CC)Oc1ccccc1F ZINC001314394019 1070251510 /nfs/dbraw/zinc/25/15/10/1070251510.db2.gz LPJQVLCBNFLWOB-TZIWHRDSSA-N 1 0 475.609 3.501 20 0 JHADRO CCOCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1Cc1c(Cl)cccc1OC ZINC001314394398 1070252250 /nfs/dbraw/zinc/25/22/50/1070252250.db2.gz VCXJRASMIVODNN-UHFFFAOYSA-N 1 0 491.080 3.520 20 0 JHADRO O=C(CC[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1)N1CCCc2ccccc21 ZINC001307942096 1070252425 /nfs/dbraw/zinc/25/24/25/1070252425.db2.gz RYYAQJYIGJCECF-HXUWFJFHSA-N 1 0 451.533 3.869 20 0 JHADRO C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001307942428 1070252437 /nfs/dbraw/zinc/25/24/37/1070252437.db2.gz WFZJSRZNKLLVLI-DOTOQJQBSA-N 1 0 457.562 3.534 20 0 JHADRO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC001313118113 1070256445 /nfs/dbraw/zinc/25/64/45/1070256445.db2.gz DFDHANNXLBUVMS-HXUWFJFHSA-N 1 0 455.018 3.838 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@H](C)c1c(C)noc1C ZINC001314397368 1070256947 /nfs/dbraw/zinc/25/69/47/1070256947.db2.gz ACGRURBOXFFHPV-IBGZPJMESA-N 1 0 452.603 3.588 20 0 JHADRO C[NH+](C)C[C@@H](NC(=O)N1CCC(c2nnc3n2CCC3)CC1)c1ccc(Cl)c(Cl)c1 ZINC001313124225 1070259632 /nfs/dbraw/zinc/25/96/32/1070259632.db2.gz LNMSEJRYZULMCA-GOSISDBHSA-N 1 0 451.402 3.723 20 0 JHADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001313126413 1070260330 /nfs/dbraw/zinc/26/03/30/1070260330.db2.gz UKSGPKKLHIMKSS-HXUWFJFHSA-N 1 0 456.631 3.853 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001313135089 1070264399 /nfs/dbraw/zinc/26/43/99/1070264399.db2.gz CMLAKQJKNFAAGZ-OJZVVMIASA-N 1 0 456.631 3.843 20 0 JHADRO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(F)cc1 ZINC001313140358 1070266713 /nfs/dbraw/zinc/26/67/13/1070266713.db2.gz URKKEGRILNROSS-MOPGFXCFSA-N 1 0 452.452 3.552 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001313159328 1070272648 /nfs/dbraw/zinc/27/26/48/1070272648.db2.gz OKBOHUUWIFPHHP-TVZXLZGTSA-N 1 0 456.631 3.987 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1CC[NH+]1CCC(C)CC1 ZINC001314409909 1070274812 /nfs/dbraw/zinc/27/48/12/1070274812.db2.gz USSJIVQHHYQZQH-QGZVFWFLSA-N 1 0 454.040 3.839 20 0 JHADRO COC(=O)c1c(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)sc2c1CC[C@@H](C)C2 ZINC001308003640 1070275963 /nfs/dbraw/zinc/27/59/63/1070275963.db2.gz SBRDLMAHYLCNFM-ZXNZOMRRSA-N 1 0 464.534 3.996 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH+]2CCN(Cc3cccc4cccnc43)CC2)CC1 ZINC001308004764 1070276630 /nfs/dbraw/zinc/27/66/30/1070276630.db2.gz YLPIFETZKWNUPW-SANMLTNESA-N 1 0 454.615 3.505 20 0 JHADRO COc1ccc(C)cc1CN1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001313171760 1070279594 /nfs/dbraw/zinc/27/95/94/1070279594.db2.gz ZPHWNFHQQDQMBZ-VWLOTQADSA-N 1 0 450.627 3.886 20 0 JHADRO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1(C)C ZINC001308014583 1070281063 /nfs/dbraw/zinc/28/10/63/1070281063.db2.gz UDCFCRXZFMUEMW-QGZVFWFLSA-N 1 0 452.477 3.822 20 0 JHADRO CC[C@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001313176057 1070282014 /nfs/dbraw/zinc/28/20/14/1070282014.db2.gz JZZVBJLERSXSDM-IZZNHLLZSA-N 1 0 450.627 3.502 20 0 JHADRO C[NH+]1CCC(CNC(=O)N[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)(c2ccccc2)CC1 ZINC001313186585 1070286448 /nfs/dbraw/zinc/28/64/48/1070286448.db2.gz OEBCZEBMXFOGHV-HFZDXXHNSA-N 1 0 456.631 3.881 20 0 JHADRO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001308046164 1070290511 /nfs/dbraw/zinc/29/05/11/1070290511.db2.gz NMWMEZBOILVKCR-NHTMILBNSA-N 1 0 451.611 3.660 20 0 JHADRO C[C@@H]1C[N@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001308052600 1070294134 /nfs/dbraw/zinc/29/41/34/1070294134.db2.gz SZXZWVIJCQESOP-KHCICDEESA-N 1 0 453.624 3.734 20 0 JHADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC001313250880 1070305202 /nfs/dbraw/zinc/30/52/02/1070305202.db2.gz FBWCGXCZODZIBL-UHFFFAOYSA-N 1 0 454.800 3.562 20 0 JHADRO C[C@H]1CN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCOCC2)CC[C@H]1C(=O)OC(C)(C)C ZINC001313263849 1070309939 /nfs/dbraw/zinc/30/99/39/1070309939.db2.gz ZTVMZXRRDYZINJ-RBBKRZOGSA-N 1 0 459.631 3.677 20 0 JHADRO COc1cc(CN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCOCC2)C2CC2)ccc1O ZINC001313266223 1070310533 /nfs/dbraw/zinc/31/05/33/1070310533.db2.gz RGSKXNQJFDXBPQ-UHFFFAOYSA-N 1 0 453.583 3.756 20 0 JHADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN[C@H](C)c3cc(Cl)cc4c3OCC4)CC2)cc1 ZINC001308103132 1070312215 /nfs/dbraw/zinc/31/22/15/1070312215.db2.gz DLIKPRBNBAPNBM-GOSISDBHSA-N 1 0 458.002 3.669 20 0 JHADRO CC(C)(C)OC(=O)N1CC[NH+](CCCCCNC(=O)N(O)Cc2ccccc2Cl)CC1 ZINC001313255286 1070307714 /nfs/dbraw/zinc/30/77/14/1070307714.db2.gz MRAJCBWYDMVFDU-UHFFFAOYSA-N 1 0 454.999 3.964 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001314431428 1070315360 /nfs/dbraw/zinc/31/53/60/1070315360.db2.gz VXERUWKJTFHGJC-YSFYHYPLSA-N 1 0 490.693 3.644 20 0 JHADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1)c1ccc(OC(F)(F)F)cc1 ZINC001308125521 1070323140 /nfs/dbraw/zinc/32/31/40/1070323140.db2.gz VQYIXYROOVZBCT-JKSUJKDBSA-N 1 0 459.509 3.999 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC001314435600 1070321907 /nfs/dbraw/zinc/32/19/07/1070321907.db2.gz HADZZZUXZXXGSQ-HSZRJFAPSA-N 1 0 469.674 3.735 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)C[C@@H]2C1 ZINC001308128728 1070324452 /nfs/dbraw/zinc/32/44/52/1070324452.db2.gz RCNJNVAPQHMRGU-FUHIMQAGSA-N 1 0 465.541 3.972 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCc1c(F)cc(O)cc1F ZINC001313336820 1070330453 /nfs/dbraw/zinc/33/04/53/1070330453.db2.gz YBHSCTCOYKJPCL-UHFFFAOYSA-N 1 0 456.331 3.749 20 0 JHADRO O=C(CC[NH+]1CCC(OCc2ccc(Br)cc2)CC1)NCC(=O)c1ccccc1 ZINC001308164921 1070333235 /nfs/dbraw/zinc/33/32/35/1070333235.db2.gz JKZMQMNOROKJHA-UHFFFAOYSA-N 1 0 459.384 3.819 20 0 JHADRO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC001308167508 1070334209 /nfs/dbraw/zinc/33/42/09/1070334209.db2.gz SUXDACTYWZDTBK-QGZVFWFLSA-N 1 0 451.583 3.760 20 0 JHADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1OC ZINC001308178764 1070337428 /nfs/dbraw/zinc/33/74/28/1070337428.db2.gz YQZVZSBDAWTIDI-WSNOQYBDSA-N 1 0 473.614 3.889 20 0 JHADRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC001313366396 1070338323 /nfs/dbraw/zinc/33/83/23/1070338323.db2.gz MADPKZGTTPBHPV-FCHUYYIVSA-N 1 0 478.534 3.882 20 0 JHADRO COc1c(Br)cccc1C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001308191654 1070339334 /nfs/dbraw/zinc/33/93/34/1070339334.db2.gz IQWMLFHUIDGQRF-UHFFFAOYSA-N 1 0 453.402 3.709 20 0 JHADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)o1 ZINC001308200409 1070340322 /nfs/dbraw/zinc/34/03/22/1070340322.db2.gz YIVBANCAMGRHLO-SFHVURJKSA-N 1 0 452.001 3.531 20 0 JHADRO O=C(CC[NH2+]Cc1ccc(Br)c2cccnc12)N1CCN(c2ccccc2)CC1 ZINC001308233919 1070344103 /nfs/dbraw/zinc/34/41/03/1070344103.db2.gz LEKLYEQELYWQAA-UHFFFAOYSA-N 1 0 453.384 3.826 20 0 JHADRO O[C@H](C[NH2+]Cc1ccc(I)s1)COc1ccc(C(F)(F)F)cc1 ZINC001308224711 1070342515 /nfs/dbraw/zinc/34/25/15/1070342515.db2.gz BXYGOWMVUUOQBW-LLVKDONJSA-N 1 0 457.255 3.901 20 0 JHADRO COc1ccc(CNC(=O)C[NH2+]Cc2cc(Br)c(C)c(Br)c2)cc1 ZINC001308226279 1070342703 /nfs/dbraw/zinc/34/27/03/1070342703.db2.gz PDDBIOIMWUVFKP-UHFFFAOYSA-N 1 0 456.178 3.935 20 0 JHADRO COc1ccccc1CC(=O)N1CCC([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001308240662 1070344215 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JHADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC001313401152 1070348381 /nfs/dbraw/zinc/34/83/81/1070348381.db2.gz PKWZPDKUJBHRER-HXUWFJFHSA-N 1 0 451.453 3.959 20 0 JHADRO CCOCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001314451252 1070348391 /nfs/dbraw/zinc/34/83/91/1070348391.db2.gz KBACFRYXUUOIGE-LJQANCHMSA-N 1 0 492.462 3.683 20 0 JHADRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)ccc1OCC(=O)Nc1ccccc1 ZINC001308274087 1070349911 /nfs/dbraw/zinc/34/99/11/1070349911.db2.gz HUALTKKUYJIBKX-IFMALSPDSA-N 1 0 453.583 3.839 20 0 JHADRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC001308279489 1070350509 /nfs/dbraw/zinc/35/05/09/1070350509.db2.gz PULDKQYTMSMTQW-HNNXBMFYSA-N 1 0 455.347 3.746 20 0 JHADRO O=S(=O)(c1ccc(CC[NH2+]Cc2ccnn2CCc2ccccc2)s1)N1CCCCC1 ZINC001308288450 1070351994 /nfs/dbraw/zinc/35/19/94/1070351994.db2.gz XGZYVPLHSIXPLG-UHFFFAOYSA-N 1 0 458.653 3.694 20 0 JHADRO CN(C)C1(C[NH2+]Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)Cc2ccccc2C1 ZINC001308285476 1070352192 /nfs/dbraw/zinc/35/21/92/1070352192.db2.gz KXJSBODTDCJDRX-UHFFFAOYSA-N 1 0 454.615 3.526 20 0 JHADRO Cn1ncc(I)c1C[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001308310209 1070354266 /nfs/dbraw/zinc/35/42/66/1070354266.db2.gz MIIVIKHUMDGMNT-UHFFFAOYSA-N 1 0 456.328 3.704 20 0 JHADRO CCOc1cc(C[NH2+][C@@H](CC)C2CCOCC2)cc(Br)c1OCC(=O)N(C)C ZINC001308300301 1070354546 /nfs/dbraw/zinc/35/45/46/1070354546.db2.gz NRTWTTTWECKSOO-SFHVURJKSA-N 1 0 457.409 3.610 20 0 JHADRO C[NH+]1CCN(c2ccc(NCc3cc(Br)cc(Br)c3N)cn2)CC1 ZINC001308326419 1070357509 /nfs/dbraw/zinc/35/75/09/1070357509.db2.gz WQTOYMHQCLWLMZ-UHFFFAOYSA-N 1 0 455.198 3.553 20 0 JHADRO CC[NH+](CC)CC[C@H](C)NC(=O)N1CCC[C@H]([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC001313433546 1070358942 /nfs/dbraw/zinc/35/89/42/1070358942.db2.gz RNHRYKOSBSJBEV-XSDIEEQYSA-N 1 0 454.656 3.601 20 0 JHADRO CN(C(=O)NCCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001313434142 1070359021 /nfs/dbraw/zinc/35/90/21/1070359021.db2.gz UVXHYOBZFRRUEQ-DQEYMECFSA-N 1 0 454.590 3.682 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCNC(=O)OCc2ccccc2)C1 ZINC001313424545 1070355536 /nfs/dbraw/zinc/35/55/36/1070355536.db2.gz FMJDQCQGGSZQKX-NHCUHLMSSA-N 1 0 452.599 3.890 20 0 JHADRO CCOCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001314459134 1070362450 /nfs/dbraw/zinc/36/24/50/1070362450.db2.gz FJDBHSJVAAACQL-GOSISDBHSA-N 1 0 492.462 3.824 20 0 JHADRO CCOCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001314458579 1070360371 /nfs/dbraw/zinc/36/03/71/1070360371.db2.gz DTOLGIHNOATMJF-FQEVSTJZSA-N 1 0 461.054 3.630 20 0 JHADRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3ccc(OC(F)F)c(Br)c3)C2)nc1 ZINC001308367499 1070361410 /nfs/dbraw/zinc/36/14/10/1070361410.db2.gz UIZUXAZYARVXBS-UHFFFAOYSA-N 1 0 456.287 3.601 20 0 JHADRO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]Cc3cnc(N4CCOCC4)c(F)c3)cc2C1 ZINC001308364733 1070361450 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KTGAZFHCGUPPIK-FQEVSTJZSA-N 1 0 472.435 3.952 20 0 JHADRO CN(Cc1ccccc1C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)OC(C)(C)C ZINC001308457281 1070377820 /nfs/dbraw/zinc/37/78/20/1070377820.db2.gz MZFUBAYSTMMSHW-UHFFFAOYSA-N 1 0 453.992 3.644 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313451534 1070380380 /nfs/dbraw/zinc/38/03/80/1070380380.db2.gz WZWVQXUTZVJYRT-FCEUIQTBSA-N 1 0 490.693 3.786 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001313450965 1070378414 /nfs/dbraw/zinc/37/84/14/1070378414.db2.gz SGAVVIVSRVOGKB-SFTDATJTSA-N 1 0 467.662 3.654 20 0 JHADRO CCOCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314469664 1070380475 /nfs/dbraw/zinc/38/04/75/1070380475.db2.gz MVHPDPSURLMBRJ-PMACEKPBSA-N 1 0 457.619 3.557 20 0 JHADRO C[NH+](C)CCNC(=O)c1ccc(NCc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC001308469305 1070379760 /nfs/dbraw/zinc/37/97/60/1070379760.db2.gz ZPDSFTHXYVDFPL-UHFFFAOYSA-N 1 0 454.578 3.897 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313451725 1070380010 /nfs/dbraw/zinc/38/00/10/1070380010.db2.gz DBYGIVUJHYDYLH-QFIPXVFZSA-N 1 0 498.672 3.831 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001313451901 1070380976 /nfs/dbraw/zinc/38/09/76/1070380976.db2.gz BYJYFNUJGZJWOZ-ILWGZMRPSA-N 1 0 459.660 3.603 20 0 JHADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001308487274 1070381145 /nfs/dbraw/zinc/38/11/45/1070381145.db2.gz TXTIYAWTHXQFQS-IBGZPJMESA-N 1 0 454.493 3.676 20 0 JHADRO CCCn1nc(-c2nnc(N(C)CC(F)(F)F)n2CC[N@@H+]2CCC[C@@H]2C)c2ccccc2c1=O ZINC001313452763 1070383387 /nfs/dbraw/zinc/38/33/87/1070383387.db2.gz KUKYSYWACNFOIB-INIZCTEOSA-N 1 0 477.535 3.548 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001313452920 1070384088 /nfs/dbraw/zinc/38/40/88/1070384088.db2.gz QTNBJOXLMHINKJ-QHCPKHFHSA-N 1 0 475.641 3.830 20 0 JHADRO CCCn1nc(-c2nnc(N(C)C3CCC3)n2CC[N@H+](C)[C@H](C)CC)c2ccccc2c1=O ZINC001313453804 1070386569 /nfs/dbraw/zinc/38/65/69/1070386569.db2.gz VPCZCUXIERAQGY-GOSISDBHSA-N 1 0 451.619 3.784 20 0 JHADRO COc1cc([C@H](C)[NH2+]Cc2ccc(I)s2)ccc1S(C)(=O)=O ZINC001308552121 1070388454 /nfs/dbraw/zinc/38/84/54/1070388454.db2.gz QHEUFSMOXQRASB-JTQLQIEISA-N 1 0 451.351 3.616 20 0 JHADRO CCCn1nc(-c2nnc(N(CC)CC3CCC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001313454613 1070389197 /nfs/dbraw/zinc/38/91/97/1070389197.db2.gz UEMQWYKJOWMTDG-GOSISDBHSA-N 1 0 451.619 3.642 20 0 JHADRO CCCn1nc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CCCSC)c2ccccc2c1=O ZINC001313455510 1070393042 /nfs/dbraw/zinc/39/30/42/1070393042.db2.gz MTNGPCBANMHCMK-RTBURBONSA-N 1 0 483.686 3.737 20 0 JHADRO CCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001314481171 1070393338 /nfs/dbraw/zinc/39/33/38/1070393338.db2.gz QAXAKYRGPANQQN-VXKWHMMOSA-N 1 0 454.663 3.539 20 0 JHADRO CCOC(=O)Cn1cc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(-c2cccnc2)n1 ZINC001308581816 1070393853 /nfs/dbraw/zinc/39/38/53/1070393853.db2.gz OPZXGBCKFHKPNQ-QHCPKHFHSA-N 1 0 452.530 3.829 20 0 JHADRO COc1cc(C[N@H+]2CCCN(Cc3csc([C@H](C)OC)n3)CC2)ccc1OC(=O)C1CC1 ZINC001308580250 1070393967 /nfs/dbraw/zinc/39/39/67/1070393967.db2.gz MXFDLLANISPPJI-KRWDZBQOSA-N 1 0 459.612 3.882 20 0 JHADRO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(N3CCC(C(=O)OC(C)(C)C)CC3)o2)CC1 ZINC001308578142 1070394218 /nfs/dbraw/zinc/39/42/18/1070394218.db2.gz YKOOFYOKLKLGBP-QFIPXVFZSA-N 1 0 458.603 3.517 20 0 JHADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC001308583140 1070394936 /nfs/dbraw/zinc/39/49/36/1070394936.db2.gz IYIBOUAJKHDLLU-IYBDPMFKSA-N 1 0 452.466 3.891 20 0 JHADRO CCCn1nc(-c2nnc(N3C[C@@H](CC)O[C@@H](C)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313456438 1070396405 /nfs/dbraw/zinc/39/64/05/1070396405.db2.gz XHHVOLKWOLJGLM-LEWJYISDSA-N 1 0 495.672 3.799 20 0 JHADRO CCOC(=O)Cn1cc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC001308614507 1070401654 /nfs/dbraw/zinc/40/16/54/1070401654.db2.gz VPUGNVVJHKKUEK-UHFFFAOYSA-N 1 0 452.599 3.774 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001313458280 1070402149 /nfs/dbraw/zinc/40/21/49/1070402149.db2.gz AENRJSGJFPNIEJ-IBGZPJMESA-N 1 0 461.054 3.929 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001313458439 1070403022 /nfs/dbraw/zinc/40/30/22/1070403022.db2.gz BNKXICIDMVTFPO-JTHBVZDNSA-N 1 0 482.673 3.817 20 0 JHADRO C[C@@H](C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC001308623502 1070403976 /nfs/dbraw/zinc/40/39/76/1070403976.db2.gz IEVQTIJEPGTJRC-ZDUSSCGKSA-N 1 0 457.356 3.841 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)C(C)C)C1 ZINC001313459651 1070407252 /nfs/dbraw/zinc/40/72/52/1070407252.db2.gz PFZNDVNNRWQHBZ-IBGZPJMESA-N 1 0 491.478 3.790 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCC(C(F)(F)F)CC2)C[C@H]1CC ZINC001314495281 1070412880 /nfs/dbraw/zinc/41/28/80/1070412880.db2.gz GJKLFAXKWHCIMC-DQVLVPHSSA-N 1 0 497.610 3.984 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001313461190 1070414926 /nfs/dbraw/zinc/41/49/26/1070414926.db2.gz VOSYTDFJESAIQA-AZUAARDMSA-N 1 0 458.676 3.654 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc([C@H](C)CC)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001313461202 1070415058 /nfs/dbraw/zinc/41/50/58/1070415058.db2.gz VOSYTDFJESAIQA-QUCCMNQESA-N 1 0 458.676 3.654 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001313461300 1070415728 /nfs/dbraw/zinc/41/57/28/1070415728.db2.gz RBHCBAVOHHGTRR-OALUTQOASA-N 1 0 470.643 3.954 20 0 JHADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](CCO)c2ccccc2Br)c(OC)c1 ZINC001308682880 1070417606 /nfs/dbraw/zinc/41/76/06/1070417606.db2.gz HCERYZOLWSPYCB-RDTXWAMCSA-N 1 0 451.361 3.897 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1CC ZINC001314497261 1070420554 /nfs/dbraw/zinc/42/05/54/1070420554.db2.gz BUGHLHJFSNXNTB-FGZHOGPDSA-N 1 0 490.693 3.882 20 0 JHADRO CCCn1nc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313462459 1070420742 /nfs/dbraw/zinc/42/07/42/1070420742.db2.gz XFFCDIQBNWGLLU-QFIPXVFZSA-N 1 0 497.713 3.983 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCS2)C[C@@H]1CC ZINC001314497782 1070421422 /nfs/dbraw/zinc/42/14/22/1070421422.db2.gz UZUYJORYMAAVOK-ROUUACIJSA-N 1 0 497.507 3.868 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C(C)(C)c2nc3ccccc3n2C)cnn1C ZINC001308704318 1070421817 /nfs/dbraw/zinc/42/18/17/1070421817.db2.gz CBNKBVDPFGENNB-GOSISDBHSA-N 1 0 454.619 3.824 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccncc2Cl)C[C@H]1CC ZINC001314497929 1070422157 /nfs/dbraw/zinc/42/21/57/1070422157.db2.gz HDHVAPNQDOGAFJ-HXUWFJFHSA-N 1 0 490.077 3.668 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCS2)C[C@@H]1CC ZINC001314498739 1070424621 /nfs/dbraw/zinc/42/46/21/1070424621.db2.gz GAKQHVBGVZNKTL-OALUTQOASA-N 1 0 479.641 3.980 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1(C)C ZINC001308727381 1070426932 /nfs/dbraw/zinc/42/69/32/1070426932.db2.gz TWTYPFRYIZLKTE-CVEARBPZSA-N 1 0 450.523 3.890 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001313463928 1070427458 /nfs/dbraw/zinc/42/74/58/1070427458.db2.gz BRQWOXVBVIZESS-YADHBBJMSA-N 1 0 482.673 3.818 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2c(C)cccc2C)C[C@H]1CC ZINC001314499959 1070428821 /nfs/dbraw/zinc/42/88/21/1070428821.db2.gz FLEORYFCFGORTR-DHIUTWEWSA-N 1 0 455.647 3.579 20 0 JHADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)cc1O ZINC001308745224 1070429164 /nfs/dbraw/zinc/42/91/64/1070429164.db2.gz SKWUOAXGRVQPAD-SFHVURJKSA-N 1 0 458.990 3.555 20 0 JHADRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001308747446 1070429993 /nfs/dbraw/zinc/42/99/93/1070429993.db2.gz QKKTTWQQAXLUPW-LJQANCHMSA-N 1 0 452.382 3.972 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001313464917 1070430421 /nfs/dbraw/zinc/43/04/21/1070430421.db2.gz LFCYZXWMHCVOFB-AZUAARDMSA-N 1 0 460.692 3.974 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nc(C(C)C)cs2)C[C@H]1CC ZINC001314501865 1070434474 /nfs/dbraw/zinc/43/44/74/1070434474.db2.gz SOXSQOGPHIJPQX-WOJBJXKFSA-N 1 0 476.691 3.737 20 0 JHADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CCc2ccc(Br)cc2Cl)CC1 ZINC001308791972 1070438114 /nfs/dbraw/zinc/43/81/14/1070438114.db2.gz TZQGGVVIHVTTBT-CQSZACIVSA-N 1 0 459.812 3.815 20 0 JHADRO CN1CC[C@@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C[C@@H]1c1ccc(Br)cc1 ZINC001308776795 1070436456 /nfs/dbraw/zinc/43/64/56/1070436456.db2.gz IURWDOIWENOIBM-WXFUMESZSA-N 1 0 458.444 3.593 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001313466300 1070437780 /nfs/dbraw/zinc/43/77/80/1070437780.db2.gz QFWZJGLWRVBTIY-FGZHOGPDSA-N 1 0 470.637 3.625 20 0 JHADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC001308796714 1070438653 /nfs/dbraw/zinc/43/86/53/1070438653.db2.gz VMZTWQKADCKQHU-AWEZNQCLSA-N 1 0 459.310 3.834 20 0 JHADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CN1C(=O)OC(C)(C)C ZINC001308794703 1070438763 /nfs/dbraw/zinc/43/87/63/1070438763.db2.gz BSZIDOLKIXELCV-IEBWSBKVSA-N 1 0 456.587 3.933 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001313466522 1070439236 /nfs/dbraw/zinc/43/92/36/1070439236.db2.gz LOLIYGQUTRDNHD-LADGPHEKSA-N 1 0 477.657 3.638 20 0 JHADRO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccc(F)cc2F)C1)C1CC1 ZINC001308803983 1070440221 /nfs/dbraw/zinc/44/02/21/1070440221.db2.gz SRVNLHDIQYMSEJ-QGZVFWFLSA-N 1 0 450.551 3.838 20 0 JHADRO CCc1oc(C[NH+]2CCC([C@@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)cc1C(=O)OC ZINC001308806329 1070441109 /nfs/dbraw/zinc/44/11/09/1070441109.db2.gz SXFNJBZJUIZQGK-CTNGQTDRSA-N 1 0 450.576 3.913 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2CC[N@H+](C)C2CCCC2)C1 ZINC001313466871 1070441157 /nfs/dbraw/zinc/44/11/57/1070441157.db2.gz NWVIWOIRFYFDOJ-OAQYLSRUSA-N 1 0 452.647 3.871 20 0 JHADRO CCOCCOc1cc(C)ccc1Cn1c(CC(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001314503878 1070441887 /nfs/dbraw/zinc/44/18/87/1070441887.db2.gz WOYCRBLAGDRPFB-JTHBVZDNSA-N 1 0 455.647 3.922 20 0 JHADRO Cn1ncc(CNC(=O)OC(C)(C)C)c1C[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001308833397 1070445219 /nfs/dbraw/zinc/44/52/19/1070445219.db2.gz GYVDBZSAMRGXIR-UHFFFAOYSA-N 1 0 459.591 3.759 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)C12CCCC2 ZINC001314505380 1070448136 /nfs/dbraw/zinc/44/81/36/1070448136.db2.gz AVIWNZUZJXVWSE-PCCBWWKXSA-N 1 0 488.702 3.955 20 0 JHADRO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001308860031 1070449995 /nfs/dbraw/zinc/44/99/95/1070449995.db2.gz MLNHDSLOWHKPQV-WOJBJXKFSA-N 1 0 460.550 3.619 20 0 JHADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H](O)c2cccc3ccccc32)cnn1C ZINC001308860326 1070450650 /nfs/dbraw/zinc/45/06/50/1070450650.db2.gz PNAGQIJWDQXHIW-DVECYGJZSA-N 1 0 452.599 3.888 20 0 JHADRO CC(C)(C)OC(=O)NCc1cn(-c2cccc(C[NH2+]C[C@H]3C[C@]3(C)Br)c2)nn1 ZINC001308886263 1070454940 /nfs/dbraw/zinc/45/49/40/1070454940.db2.gz IDIHBSFCKZGMRI-QRWLVFNGSA-N 1 0 450.381 3.555 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC001313470108 1070455857 /nfs/dbraw/zinc/45/58/57/1070455857.db2.gz YVNXMDSJVQQWJG-OAQYLSRUSA-N 1 0 496.700 3.539 20 0 JHADRO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]CC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001308899469 1070456700 /nfs/dbraw/zinc/45/67/00/1070456700.db2.gz IVLHJPMCSUSJLS-LJQANCHMSA-N 1 0 458.603 3.991 20 0 JHADRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001308908522 1070458136 /nfs/dbraw/zinc/45/81/36/1070458136.db2.gz XHYFEOFIGZTYAX-SJORKVTESA-N 1 0 457.596 3.549 20 0 JHADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1c(I)cnn1C ZINC001308911845 1070458283 /nfs/dbraw/zinc/45/82/83/1070458283.db2.gz OSCYTDWXXZWNOB-VIFPVBQESA-N 1 0 452.109 3.647 20 0 JHADRO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)O1 ZINC001308913763 1070459049 /nfs/dbraw/zinc/45/90/49/1070459049.db2.gz FCEFXBVPBUYTRG-RQNQAMLKSA-N 1 0 459.631 3.724 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(C[C@@H](C[NH2+][C@@H]3CCCN(Cc4ccccc4)C3)OC2=O)CC1 ZINC001308946299 1070464547 /nfs/dbraw/zinc/46/45/47/1070464547.db2.gz MHMSAKOCSNFDEX-YADHBBJMSA-N 1 0 457.615 3.573 20 0 JHADRO COc1ccccc1-n1nccc1C[NH+]1CCC2(CO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001308961880 1070466893 /nfs/dbraw/zinc/46/68/93/1070466893.db2.gz BLIOSIJOLYLFGC-HXUWFJFHSA-N 1 0 456.587 3.777 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1ccc(C(=O)N3CCCC3)cc1)CC2 ZINC001308961768 1070466920 /nfs/dbraw/zinc/46/69/20/1070466920.db2.gz ABMDNEISKSYPCO-JOCHJYFZSA-N 1 0 457.615 3.818 20 0 JHADRO COC(=O)c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(Br)c3cccnc13)C(=O)N2 ZINC001308955361 1070465228 /nfs/dbraw/zinc/46/52/28/1070465228.db2.gz QMOVGLHELUSVHB-IBGZPJMESA-N 1 0 454.324 3.827 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001314510321 1070465807 /nfs/dbraw/zinc/46/58/07/1070465807.db2.gz UMYXLXMNCGSFCJ-WOJBJXKFSA-N 1 0 467.724 3.638 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001313472261 1070465782 /nfs/dbraw/zinc/46/57/82/1070465782.db2.gz KQKHNFFDHJKBJA-UHFFFAOYSA-N 1 0 472.703 3.938 20 0 JHADRO Cn1cc(CN2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c(I)n1 ZINC001308957429 1070466197 /nfs/dbraw/zinc/46/61/97/1070466197.db2.gz AHUYIJNWGYHMHA-UHFFFAOYSA-N 1 0 450.368 3.612 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001313471286 1070460963 /nfs/dbraw/zinc/46/09/63/1070460963.db2.gz FTNLDNJJMBUDDU-LJQANCHMSA-N 1 0 486.020 3.632 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC001308936490 1070462226 /nfs/dbraw/zinc/46/22/26/1070462226.db2.gz ODFSSMUMNDVCTL-DXBBTUNJSA-N 1 0 452.636 3.747 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001313471837 1070464389 /nfs/dbraw/zinc/46/43/89/1070464389.db2.gz RMRNPKUCAGHYEM-OAQYLSRUSA-N 1 0 482.673 3.817 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC001313474744 1070473448 /nfs/dbraw/zinc/47/34/48/1070473448.db2.gz LHZMKEJJVCDECR-UHFFFAOYSA-N 1 0 476.735 3.581 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001314514390 1070483511 /nfs/dbraw/zinc/48/35/11/1070483511.db2.gz ZJYLECVRMDGSKV-KNQAVFIVSA-N 1 0 485.654 3.771 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314515923 1070486716 /nfs/dbraw/zinc/48/67/16/1070486716.db2.gz HSLBYZILOOGISS-QPPBQGQZSA-N 1 0 496.681 3.745 20 0 JHADRO CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313479035 1070490143 /nfs/dbraw/zinc/49/01/43/1070490143.db2.gz LMGSWEVGHJRKGN-RBBKRZOGSA-N 1 0 463.630 3.679 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314517127 1070493234 /nfs/dbraw/zinc/49/32/34/1070493234.db2.gz LMIZSNWUBQFVAB-CDJZJNNCSA-N 1 0 497.750 3.577 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314519106 1070501161 /nfs/dbraw/zinc/50/11/61/1070501161.db2.gz SPNJDQKZDUVHAN-QRVBRYPASA-N 1 0 482.094 3.978 20 0 JHADRO COC(=O)c1cccc2c1cccc2S(=O)(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001309046765 1070505628 /nfs/dbraw/zinc/50/56/28/1070505628.db2.gz DYLVHJYFMIJJAF-UHFFFAOYSA-N 1 0 452.576 3.612 20 0 JHADRO CCCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001313489282 1070508580 /nfs/dbraw/zinc/50/85/80/1070508580.db2.gz PFISKXQFWMZGHX-UHFFFAOYSA-N 1 0 468.646 3.572 20 0 JHADRO CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313489588 1070509055 /nfs/dbraw/zinc/50/90/55/1070509055.db2.gz MZYIYBVKIRZDJR-SFHVURJKSA-N 1 0 458.676 3.578 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001314522058 1070509476 /nfs/dbraw/zinc/50/94/76/1070509476.db2.gz DKRJILQORVSZHR-SFHVURJKSA-N 1 0 468.067 3.734 20 0 JHADRO CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313489968 1070509620 /nfs/dbraw/zinc/50/96/20/1070509620.db2.gz PDOHTFOEGIARFM-BZSNNMDCSA-N 1 0 458.676 3.577 20 0 JHADRO CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001313489973 1070510296 /nfs/dbraw/zinc/51/02/96/1070510296.db2.gz PDOHTFOEGIARFM-RCCFBDPRSA-N 1 0 458.676 3.577 20 0 JHADRO COCc1cc(Cl)cc(S(=O)(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC001309056006 1070512250 /nfs/dbraw/zinc/51/22/50/1070512250.db2.gz TXPZPQPSPRLIDW-IRXDYDNUSA-N 1 0 453.004 3.574 20 0 JHADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001309060995 1070515348 /nfs/dbraw/zinc/51/53/48/1070515348.db2.gz DOPWQRRCOPDSIF-JIDUQIDLSA-N 1 0 456.608 3.829 20 0 JHADRO CCCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313497341 1070518005 /nfs/dbraw/zinc/51/80/05/1070518005.db2.gz OGKKTZZYIUUYGK-XXBNENTESA-N 1 0 495.697 3.649 20 0 JHADRO CCCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001313497647 1070518675 /nfs/dbraw/zinc/51/86/75/1070518675.db2.gz HGAONXFXXQHGNX-HSZRJFAPSA-N 1 0 482.673 3.784 20 0 JHADRO CCCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313498360 1070519021 /nfs/dbraw/zinc/51/90/21/1070519021.db2.gz XRRNFPFGUSULBP-IBGZPJMESA-N 1 0 487.718 3.641 20 0 JHADRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C(C)(C)C(=O)OC)cc1 ZINC001309088012 1070531312 /nfs/dbraw/zinc/53/13/12/1070531312.db2.gz PJBGNYNNAMMGTM-DENIHFKCSA-N 1 0 458.624 3.983 20 0 JHADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001309089552 1070533067 /nfs/dbraw/zinc/53/30/67/1070533067.db2.gz DNYPTVQZFOOCSG-UHFFFAOYSA-N 1 0 458.502 3.784 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC001313504607 1070539336 /nfs/dbraw/zinc/53/93/36/1070539336.db2.gz NNTSAIXOAIIBOH-KKSFZXQISA-N 1 0 497.562 3.993 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCO[C@H](c4nccs4)C3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001313505786 1070545571 /nfs/dbraw/zinc/54/55/71/1070545571.db2.gz RTSKJIPUQPNDLN-UWJYYQICSA-N 1 0 486.642 3.727 20 0 JHADRO O=S(=O)(Cc1cccc(F)c1Br)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001309112284 1070546107 /nfs/dbraw/zinc/54/61/07/1070546107.db2.gz HPPMXBFQFCCTFM-QGZVFWFLSA-N 1 0 455.393 3.920 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2C[C@@]2(C)CCCO2)cc1OC ZINC001313506270 1070547793 /nfs/dbraw/zinc/54/77/93/1070547793.db2.gz XEAXFZQRVFRAOI-UQBPGWFLSA-N 1 0 457.619 3.842 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[C@H](NC(C)=O)C3)n2CC[NH+]2CCCCCC2)cc1OC ZINC001313507425 1070552669 /nfs/dbraw/zinc/55/26/69/1070552669.db2.gz VASRYZAKJZNPBR-QHCPKHFHSA-N 1 0 498.672 3.723 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC001309127402 1070553262 /nfs/dbraw/zinc/55/32/62/1070553262.db2.gz MFIPUDQCLXYSQM-UHFFFAOYSA-N 1 0 451.308 3.619 20 0 JHADRO CC[S@](=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001314564172 1070567521 /nfs/dbraw/zinc/56/75/21/1070567521.db2.gz ORXWRONCPMWTEQ-XBBWARJSSA-N 1 0 480.476 3.541 20 0 JHADRO CC[S@](=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001314568882 1070573851 /nfs/dbraw/zinc/57/38/51/1070573851.db2.gz KXYUMYBCZIJBBP-NBLPZQPVSA-N 1 0 475.678 3.725 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCOCC3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC001313515820 1070574821 /nfs/dbraw/zinc/57/48/21/1070574821.db2.gz YOUBPXYJGJEMSE-FQEVSTJZSA-N 1 0 457.619 3.701 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001313521955 1070590159 /nfs/dbraw/zinc/59/01/59/1070590159.db2.gz QNGIOHKTHVWEQY-FGZHOGPDSA-N 1 0 489.686 3.618 20 0 JHADRO CC[S@](=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001314579702 1070590688 /nfs/dbraw/zinc/59/06/88/1070590688.db2.gz PIBAVXGUBRZTHU-UMSFTDKQSA-N 1 0 487.714 3.945 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC)CC1 ZINC001313522163 1070591251 /nfs/dbraw/zinc/59/12/51/1070591251.db2.gz FTULEXUBWIFJLM-DEOSSOPVSA-N 1 0 454.663 3.838 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001313522426 1070591888 /nfs/dbraw/zinc/59/18/88/1070591888.db2.gz IKDPKJVHRZODNS-DEOSSOPVSA-N 1 0 469.674 3.960 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001313523871 1070594525 /nfs/dbraw/zinc/59/45/25/1070594525.db2.gz BXRJUDSUSSUYFO-QFIPXVFZSA-N 1 0 472.703 3.877 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@@H+]2CC)n1 ZINC001314582748 1070596758 /nfs/dbraw/zinc/59/67/58/1070596758.db2.gz NUCZTCZFXPOUSJ-SJORKVTESA-N 1 0 458.636 3.601 20 0 JHADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1Cl ZINC001309203255 1070604712 /nfs/dbraw/zinc/60/47/12/1070604712.db2.gz WCEDXVMIGPJSOG-AEFFLSMTSA-N 1 0 450.988 3.800 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001313526377 1070600682 /nfs/dbraw/zinc/60/06/82/1070600682.db2.gz OQTZVTATWOJGKD-GOTSBHOMSA-N 1 0 474.694 3.999 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001313529941 1070610777 /nfs/dbraw/zinc/61/07/77/1070610777.db2.gz VNBZCOMVZVHXRZ-HSZRJFAPSA-N 1 0 485.673 3.774 20 0 JHADRO O=S(=O)(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001309214090 1070612256 /nfs/dbraw/zinc/61/22/56/1070612256.db2.gz PBRAQCQRFYQNGJ-FCHUYYIVSA-N 1 0 452.979 3.798 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001313531906 1070616110 /nfs/dbraw/zinc/61/61/10/1070616110.db2.gz YSCBIHMDTUJLOE-NRFANRHFSA-N 1 0 456.635 3.545 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(-c3cnccn3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC001314596759 1070638552 /nfs/dbraw/zinc/63/85/52/1070638552.db2.gz QRGYOKQEGZFEKI-FYYLOGMGSA-N 1 0 487.718 3.984 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(C2CCCC2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001313545199 1070648560 /nfs/dbraw/zinc/64/85/60/1070648560.db2.gz DZPLMTLQBALHRY-VQTJNVASSA-N 1 0 478.682 3.738 20 0 JHADRO CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc21 ZINC001309260806 1070652275 /nfs/dbraw/zinc/65/22/75/1070652275.db2.gz FVAWMYSQOBUNEY-IPJJNNNSSA-N 1 0 455.624 3.878 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001314603596 1070658611 /nfs/dbraw/zinc/65/86/11/1070658611.db2.gz MBPCCJIIYFJKIT-CTNGQTDRSA-N 1 0 483.748 3.557 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[NH+]2CCC(C)CC2)C1 ZINC001314607367 1070666911 /nfs/dbraw/zinc/66/69/11/1070666911.db2.gz CIOXMFMFWVRCFN-FKBYEOEOSA-N 1 0 465.708 3.846 20 0 JHADRO CCN(C)C(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001313558952 1070677104 /nfs/dbraw/zinc/67/71/04/1070677104.db2.gz YJZNPINSMAOZSC-NRFANRHFSA-N 1 0 486.636 3.567 20 0 JHADRO CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001313571529 1070685289 /nfs/dbraw/zinc/68/52/89/1070685289.db2.gz XWINGFUUZSTZGQ-IBGZPJMESA-N 1 0 465.067 3.623 20 0 JHADRO CCSCC[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314615305 1070685734 /nfs/dbraw/zinc/68/57/34/1070685734.db2.gz QQRNTJJDPHMKHK-YSTOQKLRSA-N 1 0 453.697 3.985 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cnc(C)s2)c1 ZINC001313572600 1070686730 /nfs/dbraw/zinc/68/67/30/1070686730.db2.gz MXECUIOANSKFOO-UHFFFAOYSA-N 1 0 450.616 3.580 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cccnc3)nnc2N2CCC(NC(=O)C(C)C)CC2)c1 ZINC001313573102 1070687609 /nfs/dbraw/zinc/68/76/09/1070687609.db2.gz QDRPYCKPHXFIOS-UHFFFAOYSA-N 1 0 475.641 3.581 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)C)nnc2N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC001313574608 1070689063 /nfs/dbraw/zinc/68/90/63/1070689063.db2.gz KDRXRLZKAKGZNZ-WOVHNISZSA-N 1 0 455.647 3.749 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC3CCCC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC001313575850 1070691775 /nfs/dbraw/zinc/69/17/75/1070691775.db2.gz UDSTVINMPPXXTD-QHCPKHFHSA-N 1 0 473.687 3.524 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(N3C[C@H](C)OC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001313576242 1070692673 /nfs/dbraw/zinc/69/26/73/1070692673.db2.gz XDFAPWPYMURQMF-KDYSTLNUSA-N 1 0 485.673 3.822 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(C[N@H+](C)CC)c3)CC2)C1=O ZINC001313576239 1070692709 /nfs/dbraw/zinc/69/27/09/1070692709.db2.gz XBVYHOPNRVSTAH-UHFFFAOYSA-N 1 0 481.689 3.802 20 0 JHADRO CCN(c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](CC(C)C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313582638 1070704004 /nfs/dbraw/zinc/70/40/04/1070704004.db2.gz ORMKJRWAVLWQEC-NHCUHLMSSA-N 1 0 498.697 3.791 20 0 JHADRO CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001313583548 1070706018 /nfs/dbraw/zinc/70/60/18/1070706018.db2.gz VVEPXWKJHUZRTB-RPLLCQBOSA-N 1 0 485.673 3.845 20 0 JHADRO CCN(c1nnc(-c2cccc(Cl)c2)n1CCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001313583674 1070706786 /nfs/dbraw/zinc/70/67/86/1070706786.db2.gz INBVLBDHCDXISY-RXVVDRJESA-N 1 0 480.078 3.876 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001314624117 1070708021 /nfs/dbraw/zinc/70/80/21/1070708021.db2.gz MVKIPMQUYZNRFR-LEWJYISDSA-N 1 0 492.709 3.549 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCCC2)C1 ZINC001314624422 1070709647 /nfs/dbraw/zinc/70/96/47/1070709647.db2.gz QJDFNYLBNZGVNY-LJQANCHMSA-N 1 0 490.052 3.925 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)[NH+]1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001313588003 1070714729 /nfs/dbraw/zinc/71/47/29/1070714729.db2.gz OUCYLXWIPJFHPM-HKUYNNGSSA-N 1 0 498.068 3.871 20 0 JHADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001309355319 1070717686 /nfs/dbraw/zinc/71/76/86/1070717686.db2.gz VIEGJDXKFQESDB-UHFFFAOYSA-N 1 0 456.530 3.842 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001314627222 1070719484 /nfs/dbraw/zinc/71/94/84/1070719484.db2.gz UTTAIQFIHQZUCJ-QHCPKHFHSA-N 1 0 484.664 3.823 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001314627804 1070721736 /nfs/dbraw/zinc/72/17/36/1070721736.db2.gz CPZIKTSRTLNGMU-UHFFFAOYSA-N 1 0 467.662 3.689 20 0 JHADRO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1)[C@H](C)C1CCC1 ZINC001313603030 1070726375 /nfs/dbraw/zinc/72/63/75/1070726375.db2.gz DWVOCEAZQUAUDO-KCZVDYSFSA-N 1 0 465.708 3.563 20 0 JHADRO CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H](C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313608545 1070732690 /nfs/dbraw/zinc/73/26/90/1070732690.db2.gz CFGVYGSVMZPQHF-UGKGYDQZSA-N 1 0 494.105 3.800 20 0 JHADRO CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@H](C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313608542 1070732738 /nfs/dbraw/zinc/73/27/38/1070732738.db2.gz CFGVYGSVMZPQHF-KNQAVFIVSA-N 1 0 494.105 3.800 20 0 JHADRO CN(C)C(=O)c1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001314631432 1070732995 /nfs/dbraw/zinc/73/29/95/1070732995.db2.gz RLWHRGRFCOQMRS-DHIUTWEWSA-N 1 0 496.700 3.867 20 0 JHADRO CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC[N@@H+]1CCC[C@H]1CO)C(C)C ZINC001313618362 1070743126 /nfs/dbraw/zinc/74/31/26/1070743126.db2.gz CGDKOGWIDIFBEB-SFTDATJTSA-N 1 0 478.682 3.822 20 0 JHADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC001309403477 1070749675 /nfs/dbraw/zinc/74/96/75/1070749675.db2.gz VOWMOVRMQBPPEX-QRWLVFNGSA-N 1 0 455.418 3.877 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)CC1)C1CCCCC1 ZINC001314647798 1070750559 /nfs/dbraw/zinc/75/05/59/1070750559.db2.gz FPJBYBBJXOFMCA-FQEVSTJZSA-N 1 0 468.042 3.817 20 0 JHADRO Cn1cccc1-c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314647819 1070750594 /nfs/dbraw/zinc/75/05/94/1070750594.db2.gz FRDUVHFCEJBRDM-HXUWFJFHSA-N 1 0 499.601 3.817 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1cccc(F)c1 ZINC001314648478 1070752379 /nfs/dbraw/zinc/75/23/79/1070752379.db2.gz GCOORLSKQCBLQB-RBBKRZOGSA-N 1 0 481.620 3.846 20 0 JHADRO CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1([NH+]2CCSCC2)CCCC1)C(C)C ZINC001313623649 1070752551 /nfs/dbraw/zinc/75/25/51/1070752551.db2.gz NAFAZNXJTYOSPT-PMACEKPBSA-N 1 0 451.681 3.598 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314648748 1070752971 /nfs/dbraw/zinc/75/29/71/1070752971.db2.gz OUWHZDIAAGMVFP-INIZCTEOSA-N 1 0 468.549 3.542 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC001314648910 1070753756 /nfs/dbraw/zinc/75/37/56/1070753756.db2.gz QABONEICDDRICX-XLIONFOSSA-N 1 0 488.080 3.712 20 0 JHADRO CN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C1CC1)[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314650278 1070758163 /nfs/dbraw/zinc/75/81/63/1070758163.db2.gz HINXJXSDGIVUID-SFTDATJTSA-N 1 0 476.666 3.696 20 0 JHADRO CCN(C1CCN(c2nnc(C3CCCC3)n2CCCC[NH+]2CCC(C)CC2)CC1)S(C)(=O)=O ZINC001313626606 1070755637 /nfs/dbraw/zinc/75/56/37/1070755637.db2.gz JTZSJRCHLZWKKJ-UHFFFAOYSA-N 1 0 494.750 3.698 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1cccs1 ZINC001314649483 1070756172 /nfs/dbraw/zinc/75/61/72/1070756172.db2.gz WEXQNGOPOZWFQP-MRXNPFEDSA-N 1 0 466.533 3.598 20 0 JHADRO CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCOC1 ZINC001314651171 1070760589 /nfs/dbraw/zinc/76/05/89/1070760589.db2.gz AWNICYOIFWBORV-GXRSIYKFSA-N 1 0 459.610 3.864 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(F)(F)F)CC1)c1cccs1 ZINC001314651157 1070760767 /nfs/dbraw/zinc/76/07/67/1070760767.db2.gz APYDZSJUPFXWOV-IAGOWNOFSA-N 1 0 472.581 3.568 20 0 JHADRO Cn1cc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)cn1 ZINC001314651708 1070761333 /nfs/dbraw/zinc/76/13/33/1070761333.db2.gz XLDXRADSPMFUPR-KRWDZBQOSA-N 1 0 452.415 3.942 20 0 JHADRO CCN(CC(C)C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001313630586 1070761598 /nfs/dbraw/zinc/76/15/98/1070761598.db2.gz LGDNLKDIEAOLQU-RPWUZVMVSA-N 1 0 455.647 3.659 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3F)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)CCCC1 ZINC001314651808 1070761759 /nfs/dbraw/zinc/76/17/59/1070761759.db2.gz BAHFXVGVJDPTTF-UHFFFAOYSA-N 1 0 496.553 3.854 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314652050 1070762405 /nfs/dbraw/zinc/76/24/05/1070762405.db2.gz CCTRDTJBVWWHJZ-VXKWHMMOSA-N 1 0 486.636 3.626 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3Br)nnc2N2CCC(F)(F)C2)CCOCC1 ZINC001314652600 1070763560 /nfs/dbraw/zinc/76/35/60/1070763560.db2.gz HRRUFCINIIAOCD-UHFFFAOYSA-N 1 0 470.362 3.664 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314653269 1070765278 /nfs/dbraw/zinc/76/52/78/1070765278.db2.gz LIINTNFZYGTSEW-IPMKNSEASA-N 1 0 490.674 3.988 20 0 JHADRO C[NH+](C)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccsc1 ZINC001314653864 1070767122 /nfs/dbraw/zinc/76/71/22/1070767122.db2.gz HXXMISZSDHPWTN-OXQOHEQNSA-N 1 0 489.045 3.577 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC001314654431 1070768786 /nfs/dbraw/zinc/76/87/86/1070768786.db2.gz GUYWEJTWRNRQSF-SFTDATJTSA-N 1 0 497.669 3.732 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)C1CC1 ZINC001314654696 1070769705 /nfs/dbraw/zinc/76/97/05/1070769705.db2.gz LECNFRSEEAXMON-QPPBQGQZSA-N 1 0 495.590 3.770 20 0 JHADRO CCN(CC)C(=O)c1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[NH+](C(C)C)CC2)cc1 ZINC001313635362 1070770041 /nfs/dbraw/zinc/77/00/41/1070770041.db2.gz DXEDJAHJRKPQLR-UHFFFAOYSA-N 1 0 495.697 3.695 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1)c1cccc(F)c1 ZINC001314654816 1070770208 /nfs/dbraw/zinc/77/02/08/1070770208.db2.gz HZLXLICIIKWSJR-YADHBBJMSA-N 1 0 470.637 3.900 20 0 JHADRO C[NH+](C)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)C1CCCCC1 ZINC001314655233 1070771596 /nfs/dbraw/zinc/77/15/96/1070771596.db2.gz NPKNFZSACVZANT-BWKNWUBXSA-N 1 0 489.064 3.723 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC2CC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC001314655375 1070771958 /nfs/dbraw/zinc/77/19/58/1070771958.db2.gz POSYHBWLZATCDM-AZUAARDMSA-N 1 0 474.675 3.946 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(N3CCC(NC(=O)Nc4ccccc4)CC3)nnc2C(C)(C)C)CCSC1 ZINC001314657361 1070776276 /nfs/dbraw/zinc/77/62/76/1070776276.db2.gz ALWBYBJREKSTBU-RUZDIDTESA-N 1 0 485.702 3.803 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001314655895 1070773891 /nfs/dbraw/zinc/77/38/91/1070773891.db2.gz UTMOTRYJUZBJIB-VXKWHMMOSA-N 1 0 452.647 3.665 20 0 JHADRO CCN(CC)C(=O)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001313637299 1070774959 /nfs/dbraw/zinc/77/49/59/1070774959.db2.gz OUZPMAWWNQOGQO-DEOSSOPVSA-N 1 0 482.673 3.623 20 0 JHADRO C[NH+](C)C1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@@](C)(C(N)=O)C2)CCCC1 ZINC001314657912 1070777768 /nfs/dbraw/zinc/77/77/68/1070777768.db2.gz KFLUZMNAGKDXTI-JOCHJYFZSA-N 1 0 495.455 3.740 20 0 JHADRO C[NH+](C)C1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@](C)(C(N)=O)C2)CCCC1 ZINC001314657913 1070777886 /nfs/dbraw/zinc/77/78/86/1070777886.db2.gz KFLUZMNAGKDXTI-QFIPXVFZSA-N 1 0 495.455 3.740 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(c2nnc(C3CCC3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001313638037 1070778227 /nfs/dbraw/zinc/77/82/27/1070778227.db2.gz STOJYKYPXUOKCB-UHFFFAOYSA-N 1 0 488.721 3.646 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CCOCC1 ZINC001314660241 1070783909 /nfs/dbraw/zinc/78/39/09/1070783909.db2.gz TYDFJYDVSDVGQV-LJQANCHMSA-N 1 0 499.553 3.667 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CCc3ccccc3)nnc2N2CCCN(CC(F)(F)F)CC2)CCSC1 ZINC001314658192 1070779058 /nfs/dbraw/zinc/77/90/58/1070779058.db2.gz UKKRYUWZQOXCLO-HSZRJFAPSA-N 1 0 496.647 3.575 20 0 JHADRO C[C@]1(CNS(=O)(=O)CCc2ccccc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC001309455616 1070780338 /nfs/dbraw/zinc/78/03/38/1070780338.db2.gz BAERDYUTQVZAOK-OAQYLSRUSA-N 1 0 451.430 3.823 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001313639070 1070780937 /nfs/dbraw/zinc/78/09/37/1070780937.db2.gz XFEYCXLZWGNHCK-HSZRJFAPSA-N 1 0 488.721 3.912 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(N3CCN(c4cc(F)ccc4F)CC3)nnc2C(C)(C)C)CCSC1 ZINC001314659259 1070781179 /nfs/dbraw/zinc/78/11/79/1070781179.db2.gz CCBAHLHKTLIPSX-QHCPKHFHSA-N 1 0 464.630 3.618 20 0 JHADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC001309467715 1070788756 /nfs/dbraw/zinc/78/87/56/1070788756.db2.gz KZKMCSHGJOZYHO-RDJZCZTQSA-N 1 0 456.486 3.899 20 0 JHADRO CN(C)c1ccc(CCn2c(Cc3cccnc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001314661399 1070786242 /nfs/dbraw/zinc/78/62/42/1070786242.db2.gz YDIDKSGFCAUHFF-UHFFFAOYSA-N 1 0 461.658 3.883 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001314667099 1070800986 /nfs/dbraw/zinc/80/09/86/1070800986.db2.gz DSAPJQIGMHSFLE-QGZVFWFLSA-N 1 0 469.556 3.774 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001314664648 1070795242 /nfs/dbraw/zinc/79/52/42/1070795242.db2.gz DKOIHGUSZBTPJG-UHFFFAOYSA-N 1 0 496.059 3.934 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001314665654 1070797724 /nfs/dbraw/zinc/79/77/24/1070797724.db2.gz HMXCHBXCDFPTOB-UHFFFAOYSA-N 1 0 495.455 3.563 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001314666375 1070798880 /nfs/dbraw/zinc/79/88/80/1070798880.db2.gz PIJLZYNUMDGKTK-MSOLQXFVSA-N 1 0 480.034 3.926 20 0 JHADRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1)c1ccco1 ZINC001309483509 1070799065 /nfs/dbraw/zinc/79/90/65/1070799065.db2.gz HGZDQAPXBRRYFS-SUMWQHHRSA-N 1 0 454.390 3.942 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC001314667361 1070801578 /nfs/dbraw/zinc/80/15/78/1070801578.db2.gz LLYJSHBDBZNSOG-RDPSFJRHSA-N 1 0 495.590 3.812 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC001314666778 1070800375 /nfs/dbraw/zinc/80/03/75/1070800375.db2.gz ZYANMMGETNKWFU-OAQYLSRUSA-N 1 0 452.578 3.649 20 0 JHADRO C[NH+](C)CCCOc1ccc(Cn2c(C3CC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001314667538 1070801692 /nfs/dbraw/zinc/80/16/92/1070801692.db2.gz OMGSQDCMNKGVOW-NRFANRHFSA-N 1 0 484.645 3.638 20 0 JHADRO CCN(CC)C(=O)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001313645907 1070806629 /nfs/dbraw/zinc/80/66/29/1070806629.db2.gz SPYGMETUYUPFCT-ADYITMSISA-N 1 0 474.694 3.518 20 0 JHADRO Cn1nccc1C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001314669289 1070807714 /nfs/dbraw/zinc/80/77/14/1070807714.db2.gz ZXJBANWIUGOYEU-UHFFFAOYSA-N 1 0 465.646 3.682 20 0 JHADRO CC[C@H]1CN(CC)CCN1S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309495550 1070810013 /nfs/dbraw/zinc/81/00/13/1070810013.db2.gz OSSFBGOFWSVVLF-CCDWMCETSA-N 1 0 459.631 3.540 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001314669979 1070809987 /nfs/dbraw/zinc/80/99/87/1070809987.db2.gz HZJAHIIBUFELTI-HSZRJFAPSA-N 1 0 494.478 3.927 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC001314670401 1070812172 /nfs/dbraw/zinc/81/21/72/1070812172.db2.gz DXPIPPVMYUECGN-UHFFFAOYSA-N 1 0 479.547 3.567 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCN(c3ccccn3)CC2)cc1 ZINC001314672547 1070817582 /nfs/dbraw/zinc/81/75/82/1070817582.db2.gz SRKDOCZHLFSGII-UHFFFAOYSA-N 1 0 491.684 3.771 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC001314672875 1070817984 /nfs/dbraw/zinc/81/79/84/1070817984.db2.gz XEDPUSUXSFEVMR-OAQYLSRUSA-N 1 0 481.563 3.767 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Oc2ccccc2)C1 ZINC001314672148 1070816639 /nfs/dbraw/zinc/81/66/39/1070816639.db2.gz XNXHCMJPDGKYTI-NRFANRHFSA-N 1 0 471.005 3.620 20 0 JHADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313648616 1070817148 /nfs/dbraw/zinc/81/71/48/1070817148.db2.gz SFOGOEQDZLEPGV-DEOSSOPVSA-N 1 0 495.716 3.508 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001313649859 1070819854 /nfs/dbraw/zinc/81/98/54/1070819854.db2.gz AOZILWMHPQASAS-HSZRJFAPSA-N 1 0 493.656 3.657 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1Cc1nc(C(F)(F)F)cs1)C1CC[NH+](CCn2cccn2)CC1 ZINC001314677014 1070822950 /nfs/dbraw/zinc/82/29/50/1070822950.db2.gz OIUMVQGQRJUAAZ-UHFFFAOYSA-N 1 0 496.607 3.897 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001313650934 1070824236 /nfs/dbraw/zinc/82/42/36/1070824236.db2.gz VDOZBKDSXLQPDM-IBGZPJMESA-N 1 0 475.707 3.815 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001313651482 1070826766 /nfs/dbraw/zinc/82/67/66/1070826766.db2.gz ZCPYCJJGSBLOPT-UHFFFAOYSA-N 1 0 496.704 3.744 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+](CC)C(C)C)CC1 ZINC001313653125 1070831777 /nfs/dbraw/zinc/83/17/77/1070831777.db2.gz MVBAFNRCIAWDJS-UHFFFAOYSA-N 1 0 476.069 3.913 20 0 JHADRO CN(c1nnc(-c2ccc(F)cc2Br)n1CC1([NH+](C)C)CCOCC1)[C@H]1CCSC1 ZINC001314683407 1070838736 /nfs/dbraw/zinc/83/87/36/1070838736.db2.gz ZSTWIKVBYHAXMR-INIZCTEOSA-N 1 0 498.466 3.899 20 0 JHADRO COC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001309537186 1070838183 /nfs/dbraw/zinc/83/81/83/1070838183.db2.gz LNSZGRLZTGOQEK-UHFFFAOYSA-N 1 0 456.608 3.767 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001313654612 1070840121 /nfs/dbraw/zinc/84/01/21/1070840121.db2.gz DDVYRMQFNKIRMV-UHFFFAOYSA-N 1 0 499.704 3.646 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001313654975 1070841915 /nfs/dbraw/zinc/84/19/15/1070841915.db2.gz PWECSLVOJFVIRD-NRFANRHFSA-N 1 0 492.672 3.807 20 0 JHADRO CN(c1nnc(-c2ccc[nH]2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314685857 1070843090 /nfs/dbraw/zinc/84/30/90/1070843090.db2.gz WDQOGKZILURORD-PPGPUPIYSA-N 1 0 468.671 3.921 20 0 JHADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001309548364 1070846943 /nfs/dbraw/zinc/84/69/43/1070846943.db2.gz IOEIXUCDCUIODF-UHFFFAOYSA-N 1 0 458.024 3.726 20 0 JHADRO CN(c1nnc(-c2cnn(C)c2)n1CCSCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314688161 1070847028 /nfs/dbraw/zinc/84/70/28/1070847028.db2.gz NCPPOCLLGMYVFG-LJQANCHMSA-N 1 0 479.576 3.685 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC[N@H+](C)C(C)C)CC1 ZINC001313655490 1070844575 /nfs/dbraw/zinc/84/45/75/1070844575.db2.gz OURFZHJUGGRODK-UHFFFAOYSA-N 1 0 494.688 3.664 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001313655984 1070848132 /nfs/dbraw/zinc/84/81/32/1070848132.db2.gz CDOQVSABQKBNRP-AVRDEDQJSA-N 1 0 489.661 3.953 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001313656775 1070851808 /nfs/dbraw/zinc/85/18/08/1070851808.db2.gz LKQFTMNCMDMEMS-LLGFUMIMSA-N 1 0 487.580 3.557 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001313656776 1070852202 /nfs/dbraw/zinc/85/22/02/1070852202.db2.gz LKQFTMNCMDMEMS-LZJOCLMNSA-N 1 0 487.580 3.557 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001313656800 1070852316 /nfs/dbraw/zinc/85/23/16/1070852316.db2.gz LQNLXJMJVSCEPA-SJLPKXTDSA-N 1 0 497.660 3.758 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001313657316 1070855520 /nfs/dbraw/zinc/85/55/20/1070855520.db2.gz LGPJRPNUEPSCTI-IBGZPJMESA-N 1 0 456.635 3.806 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001313656873 1070853083 /nfs/dbraw/zinc/85/30/83/1070853083.db2.gz HDKLTWRDKKHFNW-DOTOQJQBSA-N 1 0 465.429 3.793 20 0 JHADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2ccccc2c1Br ZINC001309558254 1070855683 /nfs/dbraw/zinc/85/56/83/1070855683.db2.gz MRWFEAJUOURLJA-UHFFFAOYSA-N 1 0 455.418 3.724 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314693630 1070854465 /nfs/dbraw/zinc/85/44/65/1070854465.db2.gz ISGUNAZUXBNIGN-JOCHJYFZSA-N 1 0 466.674 3.882 20 0 JHADRO CN(c1nnc([C@@H]2CCCCO2)n1CC1([NH+](C)C)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314694780 1070857266 /nfs/dbraw/zinc/85/72/66/1070857266.db2.gz TVRRSVCHUVQBHX-FQEVSTJZSA-N 1 0 476.666 3.840 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313657830 1070857569 /nfs/dbraw/zinc/85/75/69/1070857569.db2.gz VKSDWCMVCLIBRQ-IFMALSPDSA-N 1 0 492.672 3.807 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001313657995 1070858326 /nfs/dbraw/zinc/85/83/26/1070858326.db2.gz AUSMRVRNYUQABF-DNVCBOLYSA-N 1 0 459.982 3.598 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001313658517 1070859706 /nfs/dbraw/zinc/85/97/06/1070859706.db2.gz ATYONWQAZWPQIW-PZJWPPBQSA-N 1 0 451.623 3.524 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001313658875 1070861301 /nfs/dbraw/zinc/86/13/01/1070861301.db2.gz DCEYQLXPANAWIT-OSFYOIPJSA-N 1 0 456.635 3.568 20 0 JHADRO Cc1oc(C(N)=O)cc1S(=O)(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001309565842 1070861422 /nfs/dbraw/zinc/86/14/22/1070861422.db2.gz QUMDUZJNKOZJKT-NRFANRHFSA-N 1 0 459.612 3.532 20 0 JHADRO CN(c1nnc(Cc2ccncc2)n1CCNC(=O)C(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314697252 1070861710 /nfs/dbraw/zinc/86/17/10/1070861710.db2.gz DQPFKYYSCVCRSY-UHFFFAOYSA-N 1 0 489.668 3.527 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313659235 1070862234 /nfs/dbraw/zinc/86/22/34/1070862234.db2.gz WSFJSDROMZSMTK-HUUCEWRRSA-N 1 0 497.869 3.793 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001313659400 1070863308 /nfs/dbraw/zinc/86/33/08/1070863308.db2.gz JISDGRZSMHKMHW-WOJBJXKFSA-N 1 0 453.610 3.868 20 0 JHADRO CN(c1nnc(Cc2ccncc2)n1CC(C)(C)C(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC001314699849 1070864502 /nfs/dbraw/zinc/86/45/02/1070864502.db2.gz XQQCBVKTBIEXMY-UHFFFAOYSA-N 1 0 490.578 3.650 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](OC)C1 ZINC001313660038 1070865030 /nfs/dbraw/zinc/86/50/30/1070865030.db2.gz NNLDLHUOUSQHNQ-HOCLYGCPSA-N 1 0 454.388 3.802 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001313660774 1070866677 /nfs/dbraw/zinc/86/66/77/1070866677.db2.gz VODRUCIKNUAIGL-KRWDZBQOSA-N 1 0 496.578 3.579 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001313663396 1070871868 /nfs/dbraw/zinc/87/18/68/1070871868.db2.gz HWDOXIAQSJBVEX-RDGATRHJSA-N 1 0 484.689 3.889 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001313661803 1070869646 /nfs/dbraw/zinc/86/96/46/1070869646.db2.gz ZXSJFKIDOLUCEZ-FQEVSTJZSA-N 1 0 465.646 3.911 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@](C)(OC)C1)c1ccccc1 ZINC001313663341 1070871255 /nfs/dbraw/zinc/87/12/55/1070871255.db2.gz COWSHKLCFHZZIG-OFVILXPXSA-N 1 0 456.635 3.505 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(F)(F)F)c1ccccc1 ZINC001313663564 1070873012 /nfs/dbraw/zinc/87/30/12/1070873012.db2.gz GBEMKRHQGXITCM-GOSISDBHSA-N 1 0 452.525 3.596 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC001309593225 1070873286 /nfs/dbraw/zinc/87/32/86/1070873286.db2.gz JIEVWFVDCCNTOG-VQIMIIECSA-N 1 0 466.028 3.765 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1)c1ccsc1 ZINC001313663942 1070875448 /nfs/dbraw/zinc/87/54/48/1070875448.db2.gz ISHGSBZZVJWRGT-WOJBJXKFSA-N 1 0 471.627 3.802 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@H]1C)c1ccco1 ZINC001313664278 1070875826 /nfs/dbraw/zinc/87/58/26/1070875826.db2.gz MDUUODIDUKBWMS-IPMKNSEASA-N 1 0 451.575 3.836 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001313665610 1070881028 /nfs/dbraw/zinc/88/10/28/1070881028.db2.gz GAEKQWYEIKVJRC-QFUCXCTJSA-N 1 0 479.572 3.692 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1)c1ccccc1 ZINC001313664558 1070877380 /nfs/dbraw/zinc/87/73/80/1070877380.db2.gz MLLBLKIMZNIAHN-DNQXCXABSA-N 1 0 454.663 3.786 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001313665499 1070879933 /nfs/dbraw/zinc/87/99/33/1070879933.db2.gz COFACYGRADJSLT-SBOYYNGUSA-N 1 0 477.675 3.760 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001313665501 1070879978 /nfs/dbraw/zinc/87/99/78/1070879978.db2.gz COFACYGRADJSLT-XZAAFUHCSA-N 1 0 477.675 3.760 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001313665586 1070880256 /nfs/dbraw/zinc/88/02/56/1070880256.db2.gz FWCBRNDWHIONEZ-MXEMCNAFSA-N 1 0 476.666 3.696 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001313665885 1070881828 /nfs/dbraw/zinc/88/18/28/1070881828.db2.gz DNHNCHKINHZKLK-WTGUMLROSA-N 1 0 464.655 3.694 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313667594 1070889319 /nfs/dbraw/zinc/88/93/19/1070889319.db2.gz LGHDREALPVHDHJ-KNQAVFIVSA-N 1 0 475.081 3.994 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313667592 1070889439 /nfs/dbraw/zinc/88/94/39/1070889439.db2.gz LGHDREALPVHDHJ-DENIHFKCSA-N 1 0 475.081 3.994 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001313665914 1070881857 /nfs/dbraw/zinc/88/18/57/1070881857.db2.gz DXMCUSITIRDFAJ-ONTLXTELSA-N 1 0 471.646 3.700 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(Cl)cc2)n1CCC[NH+]1CCCCC1 ZINC001314708476 1070882397 /nfs/dbraw/zinc/88/23/97/1070882397.db2.gz NZBNAPZJLOLFSL-UHFFFAOYSA-N 1 0 477.053 3.737 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001313666119 1070882481 /nfs/dbraw/zinc/88/24/81/1070882481.db2.gz HRWBFFZOQHCAII-BKULYWANSA-N 1 0 455.647 3.808 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001313666587 1070883160 /nfs/dbraw/zinc/88/31/60/1070883160.db2.gz IFYOSTPLQOCLID-TVZXLZGTSA-N 1 0 455.647 3.568 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314709262 1070885050 /nfs/dbraw/zinc/88/50/50/1070885050.db2.gz ZJPIRGVMTAIWHB-JOCHJYFZSA-N 1 0 479.673 3.822 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C ZINC001313666753 1070885557 /nfs/dbraw/zinc/88/55/57/1070885557.db2.gz IZOPIEMRURYHNY-OALUTQOASA-N 1 0 464.655 3.696 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001313666825 1070886618 /nfs/dbraw/zinc/88/66/18/1070886618.db2.gz VCCGXAJWHQXCLG-QZTJIDSGSA-N 1 0 483.583 3.959 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(Cc2ccsc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314710022 1070886998 /nfs/dbraw/zinc/88/69/98/1070886998.db2.gz NVBIEESDRVHRJZ-HXUWFJFHSA-N 1 0 473.046 3.999 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001313667042 1070887178 /nfs/dbraw/zinc/88/71/78/1070887178.db2.gz HODFFGYZFLPZSN-NRFANRHFSA-N 1 0 499.729 3.993 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314710143 1070887287 /nfs/dbraw/zinc/88/72/87/1070887287.db2.gz MWVOZTLGWGYZOR-QFIPXVFZSA-N 1 0 482.673 3.708 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001313667223 1070887895 /nfs/dbraw/zinc/88/78/95/1070887895.db2.gz JYOVEXNLQGYABF-NRFANRHFSA-N 1 0 470.662 3.651 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001313667810 1070890156 /nfs/dbraw/zinc/89/01/56/1070890156.db2.gz NDJFYULZUQYNJK-VXKWHMMOSA-N 1 0 466.634 3.637 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313667366 1070888976 /nfs/dbraw/zinc/88/89/76/1070888976.db2.gz WZCDWJNYYASDDZ-ZCNNSNEGSA-N 1 0 464.655 3.696 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(C)c2C)CC1 ZINC001313667792 1070890383 /nfs/dbraw/zinc/89/03/83/1070890383.db2.gz MVZXUMTZFMZRQE-QHCPKHFHSA-N 1 0 478.689 3.813 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001314708287 1070881773 /nfs/dbraw/zinc/88/17/73/1070881773.db2.gz WKBPZBLSVGQWJW-UHFFFAOYSA-N 1 0 463.630 3.658 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C ZINC001313669982 1070896047 /nfs/dbraw/zinc/89/60/47/1070896047.db2.gz XJTGQVPAJXLXAW-SFHVURJKSA-N 1 0 461.054 3.922 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313670712 1070897714 /nfs/dbraw/zinc/89/77/14/1070897714.db2.gz LFYZGOLKLRMCSL-IRLDBZIGSA-N 1 0 485.677 3.687 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccnc2)nnc1N(C)CC1COC(C)(C)OC1)c1ccco1 ZINC001313672198 1070902608 /nfs/dbraw/zinc/90/26/08/1070902608.db2.gz FGCISYRFOGGCAZ-OAQYLSRUSA-N 1 0 468.602 3.852 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccco1 ZINC001313672442 1070903891 /nfs/dbraw/zinc/90/38/91/1070903891.db2.gz OCNUEFGTATXAFJ-WYZYGFAWSA-N 1 0 486.661 3.732 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCOCC1)c1ccco1 ZINC001313674526 1070912723 /nfs/dbraw/zinc/91/27/23/1070912723.db2.gz OKBBGCWRZNWVRU-GOSISDBHSA-N 1 0 477.407 3.939 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC001313674942 1070914410 /nfs/dbraw/zinc/91/44/10/1070914410.db2.gz QIWFZGVECWWRKX-UGKGYDQZSA-N 1 0 482.654 3.800 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OC)CC1)c1ccco1 ZINC001313675656 1070917145 /nfs/dbraw/zinc/91/71/45/1070917145.db2.gz VJZVWEFRQHPXAM-OAQYLSRUSA-N 1 0 482.585 3.518 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 ZINC001313675596 1070917185 /nfs/dbraw/zinc/91/71/85/1070917185.db2.gz UONKCDGJXWUFOV-NQIIRXRSSA-N 1 0 450.587 3.597 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 ZINC001313675595 1070917417 /nfs/dbraw/zinc/91/74/17/1070917417.db2.gz UONKCDGJXWUFOV-GHTZIAJQSA-N 1 0 450.587 3.597 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OC)C1)c1ccccc1 ZINC001313676365 1070920470 /nfs/dbraw/zinc/92/04/70/1070920470.db2.gz WQLAOOKDFFLMRA-DNQXCXABSA-N 1 0 465.646 3.838 20 0 JHADRO CCN(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C(C)C)c1ccsc1 ZINC001313676505 1070921334 /nfs/dbraw/zinc/92/13/34/1070921334.db2.gz FIXINJMRKJQQGR-MOPGFXCFSA-N 1 0 453.678 3.560 20 0 JHADRO CCN(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C(C)C)c1ccsc1 ZINC001313676507 1070921453 /nfs/dbraw/zinc/92/14/53/1070921453.db2.gz FIXINJMRKJQQGR-RBUKOAKNSA-N 1 0 453.678 3.560 20 0 JHADRO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)cn1 ZINC001313677315 1070924522 /nfs/dbraw/zinc/92/45/22/1070924522.db2.gz OGYKNNVDWISDNX-FQEVSTJZSA-N 1 0 463.630 3.774 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1)c1ccsc1 ZINC001313677677 1070926093 /nfs/dbraw/zinc/92/60/93/1070926093.db2.gz LNPMMHZLMJYEFM-WOJBJXKFSA-N 1 0 458.676 3.822 20 0 JHADRO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[N@H+](CC)[C@@H](C)C2)cn1 ZINC001313677570 1070926165 /nfs/dbraw/zinc/92/61/65/1070926165.db2.gz UNPMOCMCCCTKLC-FQEVSTJZSA-N 1 0 493.656 3.782 20 0 JHADRO CN(Cc1cc(F)cc(F)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314724762 1070926351 /nfs/dbraw/zinc/92/63/51/1070926351.db2.gz POKXFYFYTZGOGJ-FQEVSTJZSA-N 1 0 476.959 3.755 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC)c1ccccc1 ZINC001313677819 1070926818 /nfs/dbraw/zinc/92/68/18/1070926818.db2.gz LYCKIBPQIFUMCD-RTWAWAEBSA-N 1 0 488.633 3.667 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC001313680854 1070939561 /nfs/dbraw/zinc/93/95/61/1070939561.db2.gz UPRUFBDDDOQCMR-SIKLNZKXSA-N 1 0 484.645 3.854 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc(-c2ccccn2)n1CCC[NH+]1CCC(O)CC1 ZINC001314727291 1070937660 /nfs/dbraw/zinc/93/76/60/1070937660.db2.gz NMOHACCZHKWLLO-UHFFFAOYSA-N 1 0 485.430 3.586 20 0 JHADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1sc2ccccc2c1Cl ZINC001309728024 1070941961 /nfs/dbraw/zinc/94/19/61/1070941961.db2.gz NHWXKBWMNGCKSO-NRFANRHFSA-N 1 0 451.013 3.812 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc(C(=O)N2CCCC2)n1CC[N@H+](C)C1CCCC1 ZINC001314730734 1070948625 /nfs/dbraw/zinc/94/86/25/1070948625.db2.gz YPJBXCAMTBWYPS-UHFFFAOYSA-N 1 0 451.040 3.740 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCCCCC2)CC1 ZINC001313691500 1070951400 /nfs/dbraw/zinc/95/14/00/1070951400.db2.gz NLAOXBDHNMTLLF-SANMLTNESA-N 1 0 477.694 3.715 20 0 JHADRO CN(Cc1ccc(F)c(Cl)c1)c1nnc(Cc2ccncc2)n1CC[NH+]1CCSCC1 ZINC001314733770 1070956040 /nfs/dbraw/zinc/95/60/40/1070956040.db2.gz USGSUSGNFCISOR-UHFFFAOYSA-N 1 0 461.010 3.742 20 0 JHADRO CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001313692272 1070952765 /nfs/dbraw/zinc/95/27/65/1070952765.db2.gz MZCHDFOHKGLGGH-HSZRJFAPSA-N 1 0 451.619 3.832 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)NC(C)C)CC1 ZINC001313696322 1070962573 /nfs/dbraw/zinc/96/25/73/1070962573.db2.gz GEHUGZDSTLNYHN-UHFFFAOYSA-N 1 0 495.441 3.682 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@](C)(O)c2ccco2)CC1 ZINC001313696498 1070963936 /nfs/dbraw/zinc/96/39/36/1070963936.db2.gz WLYFQWPBNNKZSE-VWLOTQADSA-N 1 0 453.587 3.765 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCSC2)CC1 ZINC001313697380 1070966458 /nfs/dbraw/zinc/96/64/58/1070966458.db2.gz NPRUOPHCSLJRQA-LJQANCHMSA-N 1 0 459.660 3.929 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001313697617 1070967081 /nfs/dbraw/zinc/96/70/81/1070967081.db2.gz MZLZDVNQQPXGDZ-UHFFFAOYSA-N 1 0 456.635 3.569 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001313698380 1070970153 /nfs/dbraw/zinc/97/01/53/1070970153.db2.gz ZXMNMAKFCLYZFH-UHFFFAOYSA-N 1 0 468.646 3.523 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314737648 1070967866 /nfs/dbraw/zinc/96/78/66/1070967866.db2.gz OUIRUGGIGGGSJQ-GRMGDBHTSA-N 1 0 480.682 3.758 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCn2ccnc2C)CC1 ZINC001313698347 1070970214 /nfs/dbraw/zinc/97/02/14/1070970214.db2.gz YOLRLQLMLQEISI-UHFFFAOYSA-N 1 0 475.439 3.551 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001313698021 1070969068 /nfs/dbraw/zinc/96/90/68/1070969068.db2.gz ZFBPTIXSDGTADW-NHCUHLMSSA-N 1 0 476.666 3.840 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314738551 1070969692 /nfs/dbraw/zinc/96/96/92/1070969692.db2.gz YJGSGHSZINCUSE-WRDWMWDCSA-N 1 0 487.695 3.910 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001313698897 1070971893 /nfs/dbraw/zinc/97/18/93/1070971893.db2.gz OWXMKYYYZZCUCF-UHFFFAOYSA-N 1 0 486.608 3.509 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)c2nccs2)CC1 ZINC001313700102 1070976025 /nfs/dbraw/zinc/97/60/25/1070976025.db2.gz VQKHORIVKNTYEG-FQEVSTJZSA-N 1 0 481.670 3.504 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC([C@H]3CCOC3)CC2)c1 ZINC001313699678 1070974737 /nfs/dbraw/zinc/97/47/37/1070974737.db2.gz GUFJQJVPLNLEHN-DEOSSOPVSA-N 1 0 482.673 3.559 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](F)COC)C1 ZINC001313701746 1070981427 /nfs/dbraw/zinc/98/14/27/1070981427.db2.gz KAYSCZCPYVTEGG-LSDHHAIUSA-N 1 0 474.444 3.922 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(CS(C)(=O)=O)CC2)C1 ZINC001313701196 1070979451 /nfs/dbraw/zinc/97/94/51/1070979451.db2.gz CEFBYJZJIKULSR-SFHVURJKSA-N 1 0 480.078 3.591 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](C)OC)C1 ZINC001313701231 1070979488 /nfs/dbraw/zinc/97/94/88/1070979488.db2.gz CXRCFCXYLXEFPW-DLBZAZTESA-N 1 0 480.451 3.919 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(=O)NC(C)C)C1 ZINC001313701292 1070979976 /nfs/dbraw/zinc/97/99/76/1070979976.db2.gz DUPKMCMNCIHMEC-LJQANCHMSA-N 1 0 472.703 3.968 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](CC(C)C)C2)c1 ZINC001313700343 1070976673 /nfs/dbraw/zinc/97/66/73/1070976673.db2.gz SFXLOHSNBATCKF-PKTZIBPZSA-N 1 0 452.647 3.992 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2c(C)noc2C)c1 ZINC001313700619 1070977408 /nfs/dbraw/zinc/97/74/08/1070977408.db2.gz VHKQZLGAFHPKCQ-UHFFFAOYSA-N 1 0 479.629 3.645 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(O)CCCC2)CC1 ZINC001313700476 1070977417 /nfs/dbraw/zinc/97/74/17/1070977417.db2.gz ZSMJWCYQPDASSD-UHFFFAOYSA-N 1 0 496.700 3.538 20 0 JHADRO CN(Cc1cccc(C(F)(F)F)c1)c1nnc(-c2cnn(C)c2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314742658 1070982233 /nfs/dbraw/zinc/98/22/33/1070982233.db2.gz ZXHLHZPHTQBKDP-NRFANRHFSA-N 1 0 491.562 3.571 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CC(F)(F)CO2)C1 ZINC001313702259 1070983503 /nfs/dbraw/zinc/98/35/03/1070983503.db2.gz NLXVJVLOGHVRSK-PKOBYXMFSA-N 1 0 479.572 3.555 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(C)C)nnc2N2CCC(S(=O)(=O)CC)CC2)cc1 ZINC001313703093 1070985970 /nfs/dbraw/zinc/98/59/70/1070985970.db2.gz FGDLPFTWIYBNBV-UHFFFAOYSA-N 1 0 461.676 3.695 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001313704999 1070992579 /nfs/dbraw/zinc/99/25/79/1070992579.db2.gz OUHJRXFSPCMAGM-JOCHJYFZSA-N 1 0 482.032 3.804 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313703731 1070987990 /nfs/dbraw/zinc/98/79/90/1070987990.db2.gz DQCQKURHPPGQOD-SANMLTNESA-N 1 0 465.646 3.964 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313703690 1070988123 /nfs/dbraw/zinc/98/81/23/1070988123.db2.gz DBVGEOSYOWLZFC-HSZRJFAPSA-N 1 0 452.647 3.603 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2CCSc2ccc(C)cc2)CC1 ZINC001313704258 1070989727 /nfs/dbraw/zinc/98/97/27/1070989727.db2.gz LZONSECDVOTRGD-UHFFFAOYSA-N 1 0 470.687 3.637 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)CC)CC1 ZINC001313705239 1070993164 /nfs/dbraw/zinc/99/31/64/1070993164.db2.gz STBZVVVDIQRGIL-UHFFFAOYSA-N 1 0 492.672 3.557 20 0 JHADRO CN(Cc1ccccc1)C(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001314746899 1070993078 /nfs/dbraw/zinc/99/30/78/1070993078.db2.gz PJLDDOAQVWHIDX-UHFFFAOYSA-N 1 0 466.674 3.980 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccco2)C1 ZINC001313705226 1070993160 /nfs/dbraw/zinc/99/31/60/1070993160.db2.gz CGKJDJQHDXJFCJ-MRXNPFEDSA-N 1 0 461.408 3.856 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CCC(=O)NC(C)C)C1 ZINC001313706720 1070996898 /nfs/dbraw/zinc/99/68/98/1070996898.db2.gz JADBMYMDSMMOFT-NRFANRHFSA-N 1 0 477.657 3.885 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 ZINC001313707277 1070997443 /nfs/dbraw/zinc/99/74/43/1070997443.db2.gz LFAIXJFYQJLLAM-AWEZNQCLSA-N 1 0 484.958 3.895 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C)c2)C1 ZINC001313707139 1070997506 /nfs/dbraw/zinc/99/75/06/1070997506.db2.gz LDOWOEXQBFXCAI-BVAGGSTKSA-N 1 0 455.647 3.844 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)cc2F)C1 ZINC001313709817 1071003415 /nfs/dbraw/zinc/00/34/15/1071003415.db2.gz QYFCCRGXPWPYAO-HXUWFJFHSA-N 1 0 469.609 3.504 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCS2)C1 ZINC001313708374 1071000405 /nfs/dbraw/zinc/00/04/05/1071000405.db2.gz UYPSOFUYAJRPCW-FPOVZHCZSA-N 1 0 491.105 3.925 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)OC)C1 ZINC001313708693 1071000670 /nfs/dbraw/zinc/00/06/70/1071000670.db2.gz AWLDYZFDHMBQMS-AQNXPRMDSA-N 1 0 478.682 3.642 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001313709318 1071002103 /nfs/dbraw/zinc/00/21/03/1071002103.db2.gz KUTICTAXVHQOKT-GHTZIAJQSA-N 1 0 489.064 3.593 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313711311 1071006237 /nfs/dbraw/zinc/00/62/37/1071006237.db2.gz BHGKOPNOGZIQTN-SFHVURJKSA-N 1 0 478.435 3.747 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001313711599 1071006646 /nfs/dbraw/zinc/00/66/46/1071006646.db2.gz OMWPXKZRKNNQPR-MSOLQXFVSA-N 1 0 496.381 3.693 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)OC)CC1 ZINC001313712127 1071008047 /nfs/dbraw/zinc/00/80/47/1071008047.db2.gz SIFQIYKCOPNBHW-GOSISDBHSA-N 1 0 479.025 3.692 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001313712818 1071009704 /nfs/dbraw/zinc/00/97/04/1071009704.db2.gz VAOIMZGRJVKICS-SFHVURJKSA-N 1 0 458.676 3.674 20 0 JHADRO CN(Cc1ccccn1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314755110 1071008834 /nfs/dbraw/zinc/00/88/34/1071008834.db2.gz QLLQWNGQBKOORJ-SFHVURJKSA-N 1 0 481.651 3.665 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001313713038 1071009937 /nfs/dbraw/zinc/00/99/37/1071009937.db2.gz XTCHSCLDOURMAL-HXUWFJFHSA-N 1 0 453.591 3.761 20 0 JHADRO CN(Cc1ccco1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001314757743 1071012159 /nfs/dbraw/zinc/01/21/59/1071012159.db2.gz QYEDEHYPZFSCJX-FQEVSTJZSA-N 1 0 464.595 3.802 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCOC(C)(C)C1 ZINC001313715591 1071014604 /nfs/dbraw/zinc/01/46/04/1071014604.db2.gz JGMIMGBUTOISBC-UHFFFAOYSA-N 1 0 481.645 3.583 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccc3F)n2Cc2nccn2C(F)F)C1 ZINC001313714551 1071012505 /nfs/dbraw/zinc/01/25/05/1071012505.db2.gz ZGGPFWVANIDPOA-QGZVFWFLSA-N 1 0 461.536 3.816 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccn2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001313714881 1071013216 /nfs/dbraw/zinc/01/32/16/1071013216.db2.gz VPIFWDISJPPSGL-UHFFFAOYSA-N 1 0 467.662 3.691 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001313719768 1071020467 /nfs/dbraw/zinc/02/04/67/1071020467.db2.gz VZAUBDPZWSNDPG-SFHLNBCPSA-N 1 0 470.597 3.721 20 0 JHADRO CC[NH+](CC)CCCn1c(N2CCc3ccccc3CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313719585 1071020505 /nfs/dbraw/zinc/02/05/05/1071020505.db2.gz AFJGUUBLIHDQEP-SANMLTNESA-N 1 0 455.647 3.656 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccccc2C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 ZINC001313716251 1071015934 /nfs/dbraw/zinc/01/59/34/1071015934.db2.gz HWQMXYUTJPLYLU-UHFFFAOYSA-N 1 0 476.673 3.643 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001313717105 1071016303 /nfs/dbraw/zinc/01/63/03/1071016303.db2.gz NDYVHYYIWZUEKZ-UHFFFAOYSA-N 1 0 468.049 3.976 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C)(C)CC1 ZINC001313717882 1071017725 /nfs/dbraw/zinc/01/77/25/1071017725.db2.gz KPCZWLGGXDYGNJ-QFIPXVFZSA-N 1 0 457.619 3.775 20 0 JHADRO CC[NH+](CC)CCOCCn1c(N2CCC3(CC2)OCc2ccccc23)nnc1C(C)(C)C ZINC001313717842 1071017958 /nfs/dbraw/zinc/01/79/58/1071017958.db2.gz KAQQBQRADSWIQL-UHFFFAOYSA-N 1 0 455.647 3.960 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313718485 1071018665 /nfs/dbraw/zinc/01/86/65/1071018665.db2.gz KPFPNSRCXLVQAY-PCCBWWKXSA-N 1 0 478.682 3.644 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001313718776 1071019026 /nfs/dbraw/zinc/01/90/26/1071019026.db2.gz VBXMRONPZHJGLB-NJYVYQBISA-N 1 0 496.672 3.545 20 0 JHADRO CC[NH+](CC)CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001313718799 1071019281 /nfs/dbraw/zinc/01/92/81/1071019281.db2.gz VNUGCAIFLOISOL-NHCUHLMSSA-N 1 0 492.709 3.986 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@H]2CCCCO2)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001313719207 1071019627 /nfs/dbraw/zinc/01/96/27/1071019627.db2.gz ZHDRNEOVIJBNRZ-JOCHJYFZSA-N 1 0 463.573 3.719 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001313719881 1071020784 /nfs/dbraw/zinc/02/07/84/1071020784.db2.gz XUDBQETXRZKTHU-SSGKUCQKSA-N 1 0 477.694 3.560 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(Br)ccc2C1 ZINC001313719551 1071020805 /nfs/dbraw/zinc/02/08/05/1071020805.db2.gz RZZIIUOGWOWSIS-QGZVFWFLSA-N 1 0 489.462 3.570 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC001313720139 1071021069 /nfs/dbraw/zinc/02/10/69/1071021069.db2.gz UQXHQDKOXRUHNO-RBUKOAKNSA-N 1 0 473.691 3.925 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(COc2ccc(F)cc2)n1CC1([NH+](C)C)CCC1 ZINC001314763366 1071022070 /nfs/dbraw/zinc/02/20/70/1071022070.db2.gz TVBAJOGNEZDXQA-UHFFFAOYSA-N 1 0 495.525 3.869 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(CCc2ccccc2)n1CC1([NH+](C)C)CCC1 ZINC001314763358 1071022112 /nfs/dbraw/zinc/02/21/12/1071022112.db2.gz SWEOVLKYGWJYQO-UHFFFAOYSA-N 1 0 475.563 3.936 20 0 JHADRO C[NH+](C)[C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(C(F)(F)F)c3)C[C@@H]2C1 ZINC001309946775 1071025767 /nfs/dbraw/zinc/02/57/67/1071025767.db2.gz ZFLAHSWTTGODSH-FRRDWIJNSA-N 1 0 455.340 3.819 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001313721202 1071023397 /nfs/dbraw/zinc/02/33/97/1071023397.db2.gz XFCXVVXHYYZNBT-HXUWFJFHSA-N 1 0 493.027 3.616 20 0 JHADRO CN(Cc1cnccn1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314764587 1071026156 /nfs/dbraw/zinc/02/61/56/1071026156.db2.gz FWWBIZDMWDNVEV-HSZRJFAPSA-N 1 0 463.630 3.921 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC(=O)NC)CC1 ZINC001313721547 1071024529 /nfs/dbraw/zinc/02/45/29/1071024529.db2.gz NERMHDZFVIIYCL-QGZVFWFLSA-N 1 0 491.478 3.790 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313721592 1071024654 /nfs/dbraw/zinc/02/46/54/1071024654.db2.gz FOEZNCWEVINBPQ-QUCCMNQESA-N 1 0 450.587 3.613 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001313724629 1071031117 /nfs/dbraw/zinc/03/11/17/1071031117.db2.gz AQKRJAKMBIGHMK-AKIFATBCSA-N 1 0 463.667 3.805 20 0 JHADRO CN(Cc1ccoc1)c1nnc(COc2ccc(Br)cc2)n1CC[NH+]1CCSCC1 ZINC001314767071 1071029166 /nfs/dbraw/zinc/02/91/66/1071029166.db2.gz UDQDVJSDLQPOOP-UHFFFAOYSA-N 1 0 492.443 3.898 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001313723621 1071029241 /nfs/dbraw/zinc/02/92/41/1071029241.db2.gz UXNIZNUUUUVAQZ-UYAOXDASSA-N 1 0 452.607 3.961 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001313724017 1071029655 /nfs/dbraw/zinc/02/96/55/1071029655.db2.gz LVJYMHSVCQLADV-IFMALSPDSA-N 1 0 465.646 3.725 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC001313723961 1071029705 /nfs/dbraw/zinc/02/97/05/1071029705.db2.gz YFKAGCMLHWIVJC-GCJKJVERSA-N 1 0 467.618 3.768 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313724532 1071031104 /nfs/dbraw/zinc/03/11/04/1071031104.db2.gz SGJXVLMKCWSGGI-NQIIRXRSSA-N 1 0 474.625 3.842 20 0 JHADRO C[C@@H](CNC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1)C[NH+]1CCCCC1 ZINC001309971778 1071033132 /nfs/dbraw/zinc/03/31/32/1071033132.db2.gz JHCPPBVZFBZZCG-IBGZPJMESA-N 1 0 450.649 3.883 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001313725764 1071033608 /nfs/dbraw/zinc/03/36/08/1071033608.db2.gz QTDJGXSOIUXVBT-FYYLOGMGSA-N 1 0 474.694 3.521 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001313725722 1071033617 /nfs/dbraw/zinc/03/36/17/1071033617.db2.gz PHLXEPMDZXURCD-WIYYLYMNSA-N 1 0 462.589 3.855 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001313726649 1071035056 /nfs/dbraw/zinc/03/50/56/1071035056.db2.gz DEMXPLYQHKJJRZ-AMGIVPHBSA-N 1 0 485.673 3.979 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCC2)C1 ZINC001313726667 1071035067 /nfs/dbraw/zinc/03/50/67/1071035067.db2.gz OPYUYFZKIQGBJL-UXHICEINSA-N 1 0 476.666 3.840 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001313727269 1071036722 /nfs/dbraw/zinc/03/67/22/1071036722.db2.gz NMKMDDHUBNHGIY-RTWAWAEBSA-N 1 0 484.689 3.847 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001313727366 1071036730 /nfs/dbraw/zinc/03/67/30/1071036730.db2.gz QFFQXIUHXXCLNO-OFNKIYASSA-N 1 0 483.686 3.921 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001313727034 1071036100 /nfs/dbraw/zinc/03/61/00/1071036100.db2.gz KOGUQJOBENNULB-UFPGJGBJSA-N 1 0 471.646 3.588 20 0 JHADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001309979736 1071037281 /nfs/dbraw/zinc/03/72/81/1071037281.db2.gz DCEXXKHALTXLOI-QFIPXVFZSA-N 1 0 456.612 3.647 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cccnc2)n1CCC[NH+]1CCCCC1 ZINC001313728638 1071040246 /nfs/dbraw/zinc/04/02/46/1071040246.db2.gz MQGFYUFAUDYTOE-UHFFFAOYSA-N 1 0 475.641 3.944 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnccn2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313728978 1071041169 /nfs/dbraw/zinc/04/11/69/1071041169.db2.gz QXTIZUNVPCHCGW-NHCUHLMSSA-N 1 0 490.656 3.584 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccccc2Cl)n1CC1([NH+](C)C)CCOCC1 ZINC001314773414 1071042070 /nfs/dbraw/zinc/04/20/70/1071042070.db2.gz CDMNHRBIXLUONN-UHFFFAOYSA-N 1 0 478.428 3.733 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(CN2CCCC2=O)n1CC1(SC)CC[NH+](C)CC1 ZINC001313729804 1071043128 /nfs/dbraw/zinc/04/31/28/1071043128.db2.gz ASJLXNANJPVMFK-UHFFFAOYSA-N 1 0 492.640 3.533 20 0 JHADRO CCCCNS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001309998835 1071047962 /nfs/dbraw/zinc/04/79/62/1071047962.db2.gz ZTUFTDBRMOHYFY-AUSIDOKSSA-N 1 0 458.628 3.797 20 0 JHADRO CN(Cc1nccs1)c1nnc(-c2ccccc2Br)n1CCCC[NH+]1CCOCC1 ZINC001314774973 1071044966 /nfs/dbraw/zinc/04/49/66/1071044966.db2.gz VQFVBSVAQTYOHQ-UHFFFAOYSA-N 1 0 491.459 3.913 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001313731670 1071048212 /nfs/dbraw/zinc/04/82/12/1071048212.db2.gz PCWPSHVOHQYEQB-WBVHZDCISA-N 1 0 451.040 3.703 20 0 JHADRO CC(C)[NH+]1CCC(CCNC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 ZINC001309996784 1071046456 /nfs/dbraw/zinc/04/64/56/1071046456.db2.gz GEXVEHJRAWSAAZ-UHFFFAOYSA-N 1 0 450.649 3.883 20 0 JHADRO CCCCNS(=O)(=O)c1cccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC001309998355 1071047327 /nfs/dbraw/zinc/04/73/27/1071047327.db2.gz QUPIBBCMRQIEJJ-FQEVSTJZSA-N 1 0 453.008 3.843 20 0 JHADRO CN(Cc1nccs1)c1nnc(CC(C)(C)C)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001314777815 1071051326 /nfs/dbraw/zinc/05/13/26/1071051326.db2.gz FEXJZSVBYDUWRM-HXUWFJFHSA-N 1 0 454.644 3.575 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001313736619 1071058662 /nfs/dbraw/zinc/05/86/62/1071058662.db2.gz NXUIXMLXIWOFRT-FQEVSTJZSA-N 1 0 456.610 3.831 20 0 JHADRO CN(CC1CC(F)C1)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314785226 1071062188 /nfs/dbraw/zinc/06/21/88/1071062188.db2.gz GDUUVDWSKNMVSW-UHFFFAOYSA-N 1 0 462.639 3.576 20 0 JHADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NCCC[N@H+](C)Cc3ccccc3)cc2)C1 ZINC001310017968 1071062973 /nfs/dbraw/zinc/06/29/73/1071062973.db2.gz SXHSNHLFZQCJPM-FQEVSTJZSA-N 1 0 458.628 3.751 20 0 JHADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc([C@H]2CCCOC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001313738755 1071063234 /nfs/dbraw/zinc/06/32/34/1071063234.db2.gz NKWIWCOWEJZUFA-SFTDATJTSA-N 1 0 457.619 3.904 20 0 JHADRO CN(CC1CC(F)C1)c1nnc(-c2cccc(OC(F)F)c2)n1CC[NH+]1CCSCC1 ZINC001314784734 1071061315 /nfs/dbraw/zinc/06/13/15/1071061315.db2.gz ORYKWFSEMQSAMC-UHFFFAOYSA-N 1 0 455.550 3.780 20 0 JHADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2nc(CN3CCOCC3)cs2)CCCCC1 ZINC001310020344 1071065326 /nfs/dbraw/zinc/06/53/26/1071065326.db2.gz VDLKLAUKQMPROF-UHFFFAOYSA-N 1 0 457.644 3.932 20 0 JHADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3nc(CN4CCCCC4)cs3)cc2)CC1 ZINC001310020752 1071065508 /nfs/dbraw/zinc/06/55/08/1071065508.db2.gz AYNWQELPTIOCAP-UHFFFAOYSA-N 1 0 456.660 3.588 20 0 JHADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCOc2c(Br)cccc2C1 ZINC001310021380 1071066116 /nfs/dbraw/zinc/06/61/16/1071066116.db2.gz YFQRGHOEUZPPJZ-UHFFFAOYSA-N 1 0 459.388 3.936 20 0 JHADRO CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)cc1 ZINC001310022729 1071067109 /nfs/dbraw/zinc/06/71/09/1071067109.db2.gz KRNWBCOLGYQEKQ-UHFFFAOYSA-N 1 0 450.649 3.980 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001313741313 1071067250 /nfs/dbraw/zinc/06/72/50/1071067250.db2.gz MNXMRZMNTGSZMP-QFIPXVFZSA-N 1 0 473.687 3.780 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313745265 1071073346 /nfs/dbraw/zinc/07/33/46/1071073346.db2.gz AWIFYWNDGKWCMC-VWPQPMDRSA-N 1 0 459.610 3.837 20 0 JHADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)Nc2ncc(Cc3ccccc3)s2)CC1 ZINC001310034324 1071073880 /nfs/dbraw/zinc/07/38/80/1071073880.db2.gz DAIXXJKNUVUTJK-UHFFFAOYSA-N 1 0 459.616 3.845 20 0 JHADRO C[N@H+](Cc1ccccc1NC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1)C1CCCCC1 ZINC001310043391 1071080042 /nfs/dbraw/zinc/08/00/42/1071080042.db2.gz DZBBBLXLJLBQSC-UHFFFAOYSA-N 1 0 456.612 3.689 20 0 JHADRO CN(C[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314800163 1071079207 /nfs/dbraw/zinc/07/92/07/1071079207.db2.gz GUKKXGSEOAQQLC-HXUWFJFHSA-N 1 0 498.676 3.693 20 0 JHADRO CN(C(=O)Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001310049658 1071084250 /nfs/dbraw/zinc/08/42/50/1071084250.db2.gz RJUAHRHHEVQAPY-DNQXCXABSA-N 1 0 455.647 3.724 20 0 JHADRO CN(C(=O)Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001310049657 1071084360 /nfs/dbraw/zinc/08/43/60/1071084360.db2.gz RJUAHRHHEVQAPY-BJKOFHAPSA-N 1 0 455.647 3.724 20 0 JHADRO CN(C[C@@H]1CCCN(c2nnc(CC3CC3)n2CC[NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC001314802941 1071085949 /nfs/dbraw/zinc/08/59/49/1071085949.db2.gz GHRITSTXEIDQFG-NRFANRHFSA-N 1 0 460.667 3.800 20 0 JHADRO Cc1cc(NC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)ccc1N1CC[NH+](C)CC1 ZINC001310061005 1071091643 /nfs/dbraw/zinc/09/16/43/1071091643.db2.gz XZINGVIIPFPPPX-UHFFFAOYSA-N 1 0 450.509 3.831 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C)c(C)c2)n1CC[NH+]1CCCCC1 ZINC001313755961 1071097393 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CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2CCc2ccccc2Cl)C[C@@H]1C ZINC001313863820 1071383111 /nfs/dbraw/zinc/38/31/11/1071383111.db2.gz TWTOGFJKGVZGNK-GBESFXJTSA-N 1 0 450.027 3.817 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(C)(C)C)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313863046 1071379250 /nfs/dbraw/zinc/37/92/50/1071379250.db2.gz UYIDEWXWIUZRGT-HOTGVXAUSA-N 1 0 454.541 3.987 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001313862867 1071379302 /nfs/dbraw/zinc/37/93/02/1071379302.db2.gz CHAIJYXZLDFMCG-GJZGRUSLSA-N 1 0 493.841 3.572 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313863836 1071383313 /nfs/dbraw/zinc/38/33/13/1071383313.db2.gz UDJDGRMENDEUGA-OKZBNKHCSA-N 1 0 486.558 3.970 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@H]1C ZINC001313864104 1071384809 /nfs/dbraw/zinc/38/48/09/1071384809.db2.gz LUFYPLFTDSKTMT-OLZOCXBDSA-N 1 0 459.948 3.919 20 0 JHADRO 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490.693 3.617 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@H]1C ZINC001313870002 1071411547 /nfs/dbraw/zinc/41/15/47/1071411547.db2.gz DQPMYVGHBNVHSL-STSQHVNTSA-N 1 0 474.531 3.709 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)cc2OC)C[C@H]1C ZINC001313869422 1071408454 /nfs/dbraw/zinc/40/84/54/1071408454.db2.gz PRPDWMJEZRSAGH-QZTJIDSGSA-N 1 0 454.644 3.918 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc3cccnc32)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001314950123 1071416946 /nfs/dbraw/zinc/41/69/46/1071416946.db2.gz FSMZZZCOXBINBA-LEWJYISDSA-N 1 0 477.657 3.966 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001314949395 1071414535 /nfs/dbraw/zinc/41/45/35/1071414535.db2.gz TXPPAXLNMGKMPR-GHTZIAJQSA-N 1 0 482.654 3.671 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001313870896 1071415852 /nfs/dbraw/zinc/41/58/52/1071415852.db2.gz FXPVRXPFIDLOHS-MSOLQXFVSA-N 1 0 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CC[N@@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2csc(Br)c2)C1 ZINC001313893432 1071490180 /nfs/dbraw/zinc/49/01/80/1071490180.db2.gz OBLZTWNKIKUFFN-CQSZACIVSA-N 1 0 462.421 3.537 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001313893642 1071490762 /nfs/dbraw/zinc/49/07/62/1071490762.db2.gz PGWMMBQNYQBZFF-KPLVRAHFSA-N 1 0 496.027 3.857 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001314984879 1071491229 /nfs/dbraw/zinc/49/12/29/1071491229.db2.gz INQGJLIAPUQQCQ-VQTJNVASSA-N 1 0 486.636 3.784 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314986913 1071497414 /nfs/dbraw/zinc/49/74/14/1071497414.db2.gz DNNUKCIFNNSBJA-ICSRJNTNSA-N 1 0 474.053 3.611 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccccc2SC)C1 ZINC001313894883 1071494979 /nfs/dbraw/zinc/49/49/79/1071494979.db2.gz JOPCNFIKTAAFGN-FQEVSTJZSA-N 1 0 453.660 3.840 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCSCC1 ZINC001313895181 1071495669 /nfs/dbraw/zinc/49/56/69/1071495669.db2.gz GLLPWGIMPFCUDW-HNNXBMFYSA-N 1 0 454.413 3.884 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313895334 1071496471 /nfs/dbraw/zinc/49/64/71/1071496471.db2.gz GTZDCSRAQMLBOI-XMMPIXPASA-N 1 0 482.673 3.913 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](OCCOC)C1 ZINC001313896388 1071499482 /nfs/dbraw/zinc/49/94/82/1071499482.db2.gz ONQUIOPRHQAERO-WOJBJXKFSA-N 1 0 492.462 3.742 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001314989092 1071502602 /nfs/dbraw/zinc/50/26/02/1071502602.db2.gz NEHHGDGHYDYYPD-LJQANCHMSA-N 1 0 459.038 3.825 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCN1CCOCC1 ZINC001313897641 1071503438 /nfs/dbraw/zinc/50/34/38/1071503438.db2.gz ZZDPHBCNFDNVEU-GOSISDBHSA-N 1 0 467.445 3.505 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001313898042 1071504017 /nfs/dbraw/zinc/50/40/17/1071504017.db2.gz NBOIQDTVIOEHDN-YADHBBJMSA-N 1 0 489.064 3.597 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001313898039 1071504122 /nfs/dbraw/zinc/50/41/22/1071504122.db2.gz NBOIQDTVIOEHDN-FCHUYYIVSA-N 1 0 489.064 3.597 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313900187 1071508588 /nfs/dbraw/zinc/50/85/88/1071508588.db2.gz MICKSFVSXXQYIM-FYYLOGMGSA-N 1 0 496.700 3.741 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2cccc(Br)c2)C1 ZINC001313899672 1071508722 /nfs/dbraw/zinc/50/87/22/1071508722.db2.gz XCQRAHIGYDKDIN-ZJOUEHCJSA-N 1 0 492.462 3.743 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313898782 1071505963 /nfs/dbraw/zinc/50/59/63/1071505963.db2.gz DUDAJBJAPPEKSV-HLAWJBBLSA-N 1 0 460.667 3.845 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001313898938 1071506686 /nfs/dbraw/zinc/50/66/86/1071506686.db2.gz DQOPLVZZVGIGGR-SFTDATJTSA-N 1 0 490.693 3.738 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(C)C)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001313899026 1071507172 /nfs/dbraw/zinc/50/71/72/1071507172.db2.gz UDTZTXQOOPQOMD-OAHLLOKOSA-N 1 0 456.454 3.709 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC001313899103 1071507186 /nfs/dbraw/zinc/50/71/86/1071507186.db2.gz GIYSYSZNOXIPNI-RBUKOAKNSA-N 1 0 479.572 3.903 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313901484 1071511653 /nfs/dbraw/zinc/51/16/53/1071511653.db2.gz RIKDIDUSTHAFBB-KFKAGJAMSA-N 1 0 455.500 3.648 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001313901572 1071511767 /nfs/dbraw/zinc/51/17/67/1071511767.db2.gz AXOWJHVOTJRFRY-JOCHJYFZSA-N 1 0 465.646 3.945 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F ZINC001313901606 1071511941 /nfs/dbraw/zinc/51/19/41/1071511941.db2.gz YJZPXZRAFVWIAE-ZWKOTPCHSA-N 1 0 470.609 3.968 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001313901834 1071512453 /nfs/dbraw/zinc/51/24/53/1071512453.db2.gz HXJKMHMWQNPTKK-HXUWFJFHSA-N 1 0 469.634 3.626 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313902326 1071513247 /nfs/dbraw/zinc/51/32/47/1071513247.db2.gz FYLWVUZQIBFOIW-VXNXHJTFSA-N 1 0 484.689 3.504 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313902164 1071513421 /nfs/dbraw/zinc/51/34/21/1071513421.db2.gz KFSLKZUBXNMVFQ-UYAOXDASSA-N 1 0 471.650 3.887 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001313903139 1071515057 /nfs/dbraw/zinc/51/50/57/1071515057.db2.gz MGKSWCXCPCEPMI-YKSBVNFPSA-N 1 0 495.590 3.914 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001313903341 1071515097 /nfs/dbraw/zinc/51/50/97/1071515097.db2.gz APOQWSKRDLMMEC-AZUAARDMSA-N 1 0 457.619 3.840 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001313904203 1071517441 /nfs/dbraw/zinc/51/74/41/1071517441.db2.gz QHDNKGJUUAUHBU-HSZRJFAPSA-N 1 0 484.689 3.505 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Nc2ccn(C)n2)nnc1-c1cc(OC)ccc1Br ZINC001313904454 1071518480 /nfs/dbraw/zinc/51/84/80/1071518480.db2.gz HZLPTDZOANPMGE-CQSZACIVSA-N 1 0 460.380 3.678 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCO1 ZINC001313904646 1071519053 /nfs/dbraw/zinc/51/90/53/1071519053.db2.gz RNQAYHKDTIBYPX-AZUAARDMSA-N 1 0 478.435 3.719 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313904628 1071519188 /nfs/dbraw/zinc/51/91/88/1071519188.db2.gz RLYWSAQFPOTSKA-FPOVZHCZSA-N 1 0 490.048 3.735 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313904830 1071519871 /nfs/dbraw/zinc/51/98/71/1071519871.db2.gz UZKDZUWRUAAWRW-XUVXKRRUSA-N 1 0 469.634 3.564 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001314999522 1071521169 /nfs/dbraw/zinc/52/11/69/1071521169.db2.gz CYWRDTCRCTZUNR-UHFFFAOYSA-N 1 0 478.588 3.628 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001313905290 1071521387 /nfs/dbraw/zinc/52/13/87/1071521387.db2.gz PEZYMUOEITXVFA-LJQANCHMSA-N 1 0 481.613 3.705 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C)C1 ZINC001313907584 1071528199 /nfs/dbraw/zinc/52/81/99/1071528199.db2.gz IJYPXCHMNSUCIE-FUHWJXTLSA-N 1 0 478.435 3.816 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001313907826 1071528576 /nfs/dbraw/zinc/52/85/76/1071528576.db2.gz BXLOXFGINSQVQV-QHCPKHFHSA-N 1 0 460.711 3.680 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001313908323 1071529260 /nfs/dbraw/zinc/52/92/60/1071529260.db2.gz ILZUXCCBYUXRSA-JOCHJYFZSA-N 1 0 481.670 3.504 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CCO)Cc1ccccc1OC ZINC001313909301 1071532617 /nfs/dbraw/zinc/53/26/17/1071532617.db2.gz RLAITNRXPULQDF-NRFANRHFSA-N 1 0 485.032 3.875 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001313910429 1071535093 /nfs/dbraw/zinc/53/50/93/1071535093.db2.gz KCYBFUJNLYCEMP-JOCHJYFZSA-N 1 0 451.619 3.977 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313911929 1071538899 /nfs/dbraw/zinc/53/88/99/1071538899.db2.gz FNHCPGYAHHUMCJ-QUCCMNQESA-N 1 0 467.536 3.807 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001315021024 1071542127 /nfs/dbraw/zinc/54/21/27/1071542127.db2.gz KFEBWDHKOAYOHL-UHFFFAOYSA-N 1 0 459.038 3.827 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccccc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001315019786 1071539150 /nfs/dbraw/zinc/53/91/50/1071539150.db2.gz BZTKYGVDFYBBDU-FQRUVTKNSA-N 1 0 452.647 3.808 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313912186 1071539383 /nfs/dbraw/zinc/53/93/83/1071539383.db2.gz UZQABECCFZJJSZ-GHTZIAJQSA-N 1 0 474.675 3.655 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313912176 1071539638 /nfs/dbraw/zinc/53/96/38/1071539638.db2.gz MUIRNYBLPMQMCE-HBMCJLEFSA-N 1 0 476.666 3.840 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313912395 1071539964 /nfs/dbraw/zinc/53/99/64/1071539964.db2.gz IOQVAGVAUQGFTL-NYMACZPPSA-N 1 0 477.694 3.835 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313912678 1071540549 /nfs/dbraw/zinc/54/05/49/1071540549.db2.gz WJTWIFMWPYQEKE-OAQYLSRUSA-N 1 0 461.614 3.906 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@H](C)C1 ZINC001313912870 1071541182 /nfs/dbraw/zinc/54/11/82/1071541182.db2.gz OIDJWMBKYUHAEL-IFMALSPDSA-N 1 0 490.693 3.882 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313911046 1071536976 /nfs/dbraw/zinc/53/69/76/1071536976.db2.gz YTQHBBWDGNWDCJ-SFHVURJKSA-N 1 0 477.053 3.832 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](OC)C1 ZINC001313913752 1071544833 /nfs/dbraw/zinc/54/48/33/1071544833.db2.gz LSLWLIMLEIWQMA-MHTWAQMVSA-N 1 0 476.666 3.538 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313914074 1071546133 /nfs/dbraw/zinc/54/61/33/1071546133.db2.gz QOKBIJYIIBTJPO-DNQXCXABSA-N 1 0 455.647 3.682 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@](C)(CC)C1 ZINC001313914448 1071547364 /nfs/dbraw/zinc/54/73/64/1071547364.db2.gz NFKOCSNZYJEFQA-CJFMBICVSA-N 1 0 457.619 3.745 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@](C)(CC)C1 ZINC001313914450 1071547498 /nfs/dbraw/zinc/54/74/98/1071547498.db2.gz NFKOCSNZYJEFQA-NBGIEHNGSA-N 1 0 457.619 3.745 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccccc3OC)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001315021742 1071542947 /nfs/dbraw/zinc/54/29/47/1071542947.db2.gz XNXVEXJKRMXFNS-NRFANRHFSA-N 1 0 482.673 3.961 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001313913436 1071543469 /nfs/dbraw/zinc/54/34/69/1071543469.db2.gz PKLGOWVXJUOXSA-XVAXZDLZSA-N 1 0 488.627 3.905 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCOC ZINC001313913502 1071543734 /nfs/dbraw/zinc/54/37/34/1071543734.db2.gz PRMMRKURZNWRJO-NHCUHLMSSA-N 1 0 478.682 3.740 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001315022272 1071544255 /nfs/dbraw/zinc/54/42/55/1071544255.db2.gz RIZZKMCDSDHMPS-SFHVURJKSA-N 1 0 488.061 3.710 20 0 JHADRO 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CC[N@@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@]2(OC)CCOC2)C[C@H]1C ZINC001313940012 1071614102 /nfs/dbraw/zinc/61/41/02/1071614102.db2.gz JQAWUGFAJZFDKG-CJFMBICVSA-N 1 0 492.064 3.587 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)N2CCOCC2)C[C@H]1C ZINC001313941432 1071617578 /nfs/dbraw/zinc/61/75/78/1071617578.db2.gz CXOKBCWUTNMKJW-JOCHJYFZSA-N 1 0 498.716 3.796 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C)s2)C[C@@H]1C ZINC001313942489 1071620201 /nfs/dbraw/zinc/62/02/01/1071620201.db2.gz INXYKFCMTOJDEG-YTQUADARSA-N 1 0 474.675 3.997 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313945772 1071627445 /nfs/dbraw/zinc/62/74/45/1071627445.db2.gz KSKLOPUNCBMFJE-QGZVFWFLSA-N 1 0 471.005 3.513 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2csc(COC)n2)C[C@@H]1C ZINC001313943302 1071622595 /nfs/dbraw/zinc/62/25/95/1071622595.db2.gz RICXDBXSCLIEMM-IBGZPJMESA-N 1 0 470.643 3.656 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313946192 1071628000 /nfs/dbraw/zinc/62/80/00/1071628000.db2.gz PJMZUOCRAZDCPR-GOSISDBHSA-N 1 0 474.625 3.842 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@@H]1C ZINC001313946868 1071630592 /nfs/dbraw/zinc/63/05/92/1071630592.db2.gz DLRQTOXTGBHYIP-FQEVSTJZSA-N 1 0 481.645 3.605 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313947101 1071631227 /nfs/dbraw/zinc/63/12/27/1071631227.db2.gz VTYJORMJJNJOJH-MRXNPFEDSA-N 1 0 473.394 3.744 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@@H]2OC)C[C@@H]1C ZINC001313947506 1071632252 /nfs/dbraw/zinc/63/22/52/1071632252.db2.gz HVMSQDXDZXONNM-UFYCRDLUSA-N 1 0 459.660 3.925 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(C)c(C)c3)CC2)CC1 ZINC001313947854 1071632878 /nfs/dbraw/zinc/63/28/78/1071632878.db2.gz AALHSQLQNIVVLS-QFIPXVFZSA-N 1 0 467.706 3.619 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CO)CC2)CC1 ZINC001313949526 1071636465 /nfs/dbraw/zinc/63/64/65/1071636465.db2.gz JNMHGZCXPDQHQO-GOSISDBHSA-N 1 0 495.499 3.734 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2CCCc2cccc(C)n2)C[C@H]1C ZINC001313950057 1071637510 /nfs/dbraw/zinc/63/75/10/1071637510.db2.gz SRTMJJZREKKKSW-HXUWFJFHSA-N 1 0 452.578 3.863 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313950428 1071638042 /nfs/dbraw/zinc/63/80/42/1071638042.db2.gz PGWOFQXUAWMFNX-KJJMTIBFSA-N 1 0 472.653 3.923 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313950383 1071638139 /nfs/dbraw/zinc/63/81/39/1071638139.db2.gz PAXYZYZGWUKHHM-QRVBRYPASA-N 1 0 492.510 3.792 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4csc(C)n4)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313950557 1071638685 /nfs/dbraw/zinc/63/86/85/1071638685.db2.gz VNVPZFHWMWOIBN-SFTDATJTSA-N 1 0 491.775 3.628 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(COc4cccc(C)c4)n3CCSC(F)(F)F)C2)CC1 ZINC001313950575 1071638786 /nfs/dbraw/zinc/63/87/86/1071638786.db2.gz WAOMNBIBKAMPSD-LJQANCHMSA-N 1 0 498.619 3.635 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCC[C@@H](c3nc(C(C)C)cs3)C2)CC1 ZINC001313950694 1071638843 /nfs/dbraw/zinc/63/88/43/1071638843.db2.gz PXHZIOFSCDUGLV-TZIWHRDSSA-N 1 0 459.708 3.824 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)C2CCC2)CC1 ZINC001313950869 1071640055 /nfs/dbraw/zinc/64/00/55/1071640055.db2.gz RFEKKXHVKAURLS-GOSISDBHSA-N 1 0 475.479 3.970 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313951029 1071640637 /nfs/dbraw/zinc/64/06/37/1071640637.db2.gz CTCUGPHRZCVRDA-WMTXJRDZSA-N 1 0 454.663 3.643 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CCCc4ccccc4)n3CC(C)(C)SC)C2)CC1 ZINC001313951179 1071641170 /nfs/dbraw/zinc/64/11/70/1071641170.db2.gz ZNIIKVVJNSZITE-HSZRJFAPSA-N 1 0 470.731 3.811 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC(c3ccccc3CO)CC2)CC1 ZINC001313951474 1071642328 /nfs/dbraw/zinc/64/23/28/1071642328.db2.gz UIAFHYUDMZBXCK-JOCHJYFZSA-N 1 0 468.690 3.551 20 0 JHADRO CCN1CC[NH+](CCCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313951485 1071642427 /nfs/dbraw/zinc/64/24/27/1071642427.db2.gz IQIMKSSQTZLOBI-OAQYLSRUSA-N 1 0 481.689 3.801 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313951652 1071643108 /nfs/dbraw/zinc/64/31/08/1071643108.db2.gz APPULZLDTPQSAQ-NHCUHLMSSA-N 1 0 465.621 3.950 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC(CO)(Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951888 1071643790 /nfs/dbraw/zinc/64/37/90/1071643790.db2.gz MAMZJDGNVNIUOF-XMMPIXPASA-N 1 0 496.744 3.671 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001313952695 1071646541 /nfs/dbraw/zinc/64/65/41/1071646541.db2.gz UBUJEXVHFNAAES-XUZZJYLKSA-N 1 0 472.653 3.895 20 0 JHADRO CCN1CC[NH+](CCCCn2c(COc3ccc(C)c(C)c3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313953067 1071647820 /nfs/dbraw/zinc/64/78/20/1071647820.db2.gz AOVBXGXVZWYWBG-DEOSSOPVSA-N 1 0 498.716 3.895 20 0 JHADRO CCN1CC[NH+](CCCCn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313953385 1071648337 /nfs/dbraw/zinc/64/83/37/1071648337.db2.gz CWRGRKCNODDRAI-HSZRJFAPSA-N 1 0 484.689 3.587 20 0 JHADRO CCN1CC[NH+](CCCCn2c(N3CCN(c4ccccc4F)C[C@H]3C)nnc2C(C)(C)C)CC1 ZINC001313953475 1071648870 /nfs/dbraw/zinc/64/88/70/1071648870.db2.gz GKNRYGABKMCUQI-JOCHJYFZSA-N 1 0 485.696 3.848 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3OC)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313953681 1071649609 /nfs/dbraw/zinc/64/96/09/1071649609.db2.gz HSBXLVVSYUBBRO-QHCPKHFHSA-N 1 0 468.690 3.922 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3F)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001313954342 1071651245 /nfs/dbraw/zinc/65/12/45/1071651245.db2.gz OFECGRIDGJUHLG-WFXMLNOXSA-N 1 0 498.569 3.514 20 0 JHADRO CCN1CC[NH+](CCCCn2c(C3CC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001313953997 1071650069 /nfs/dbraw/zinc/65/00/69/1071650069.db2.gz MELHWLQMCWCNJM-UHFFFAOYSA-N 1 0 471.597 3.685 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC001313954132 1071650623 /nfs/dbraw/zinc/65/06/23/1071650623.db2.gz OBTQAUCXBWMOIU-VQTJNVASSA-N 1 0 476.616 3.675 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313954117 1071650666 /nfs/dbraw/zinc/65/06/66/1071650666.db2.gz APPWQDLYRAEQAU-FGZHOGPDSA-N 1 0 479.648 3.874 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313955764 1071656748 /nfs/dbraw/zinc/65/67/48/1071656748.db2.gz IHXMABXGWSBMIW-SFHVURJKSA-N 1 0 473.716 3.605 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313954573 1071651841 /nfs/dbraw/zinc/65/18/41/1071651841.db2.gz BXOGHWDAHNKYQA-UXHICEINSA-N 1 0 459.708 3.534 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313955772 1071656831 /nfs/dbraw/zinc/65/68/31/1071656831.db2.gz IIVLAHIRESIZDH-IBGZPJMESA-N 1 0 458.701 3.902 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313954804 1071652862 /nfs/dbraw/zinc/65/28/62/1071652862.db2.gz CSJUNSHQTVKGLF-LJQANCHMSA-N 1 0 479.511 3.773 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313954802 1071652958 /nfs/dbraw/zinc/65/29/58/1071652958.db2.gz CSJUNSHQTVKGLF-IBGZPJMESA-N 1 0 479.511 3.773 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313955279 1071654795 /nfs/dbraw/zinc/65/47/95/1071654795.db2.gz QXGZVVADKOPXMI-ZVDOUQERSA-N 1 0 476.616 3.531 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001313955601 1071656191 /nfs/dbraw/zinc/65/61/91/1071656191.db2.gz TUYZQVVSYZXYIY-OAQYLSRUSA-N 1 0 465.621 3.779 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CC[C@@H](C)[C@@H]2C)CC1 ZINC001313956474 1071658071 /nfs/dbraw/zinc/65/80/71/1071658071.db2.gz MQUUZMQMLGMPAZ-ZRBLBEILSA-N 1 0 454.663 3.674 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313956876 1071658746 /nfs/dbraw/zinc/65/87/46/1071658746.db2.gz OHTHDTAQWLCJAB-GOSISDBHSA-N 1 0 496.597 3.902 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313956877 1071658781 /nfs/dbraw/zinc/65/87/81/1071658781.db2.gz OHTHDTAQWLCJAB-SFHVURJKSA-N 1 0 496.597 3.902 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@H](C)CC(C)(C)C2)CC1 ZINC001313957012 1071658811 /nfs/dbraw/zinc/65/88/11/1071658811.db2.gz AVRUUIQHMOVHLQ-OAQYLSRUSA-N 1 0 484.689 3.862 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccccc3F)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313958284 1071663545 /nfs/dbraw/zinc/66/35/45/1071663545.db2.gz SAIZZBYZNVVCKS-IBGZPJMESA-N 1 0 498.569 3.660 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313959986 1071668629 /nfs/dbraw/zinc/66/86/29/1071668629.db2.gz DJBKNUYYWYTBIV-QFIPXVFZSA-N 1 0 454.663 3.820 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)CCC(F)(F)F)CC1 ZINC001313959054 1071665204 /nfs/dbraw/zinc/66/52/04/1071665204.db2.gz ZAQBEXBZGPEGIQ-GOSISDBHSA-N 1 0 470.559 3.670 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313960819 1071670972 /nfs/dbraw/zinc/67/09/72/1071670972.db2.gz NDQZMAKECCUQKT-HSZRJFAPSA-N 1 0 486.680 3.820 20 0 JHADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2Cc3cc(Br)ccc3[C@H](C)C2)CC1 ZINC001313961495 1071672298 /nfs/dbraw/zinc/67/22/98/1071672298.db2.gz UKGDQLFZTSYWKJ-QGZVFWFLSA-N 1 0 461.452 3.500 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001313963328 1071677523 /nfs/dbraw/zinc/67/75/23/1071677523.db2.gz KLWBTWIJADCPQV-UHFFFAOYSA-N 1 0 465.017 3.678 20 0 JHADRO CCn1nc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCCSC)c2ccccc2c1=O ZINC001313965368 1071683207 /nfs/dbraw/zinc/68/32/07/1071683207.db2.gz CUOIMBXLFNCHHM-UHFFFAOYSA-N 1 0 483.686 3.596 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001313974141 1071702431 /nfs/dbraw/zinc/70/24/31/1071702431.db2.gz QHEAOFBKTYGAEE-HXUWFJFHSA-N 1 0 480.682 3.803 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001313972654 1071699153 /nfs/dbraw/zinc/69/91/53/1071699153.db2.gz DRPCUHWIEDSTKH-UHFFFAOYSA-N 1 0 472.703 3.599 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001313974140 1071702354 /nfs/dbraw/zinc/70/23/54/1071702354.db2.gz QHEAOFBKTYGAEE-FQEVSTJZSA-N 1 0 480.682 3.803 20 0 JHADRO CCNC(=O)C1(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[NH+](C(C)C)CC2)CCC1 ZINC001313979647 1071714995 /nfs/dbraw/zinc/71/49/95/1071714995.db2.gz IYMMKIDFAMQAHE-UHFFFAOYSA-N 1 0 496.700 3.991 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001313984598 1071721837 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CCc1nc(CN2CCN(c3nnc(CC)n3C[C@H](c3cccc(F)c3)[NH+](C)C)CC2)cs1 ZINC001306040927 1068454009 /nfs/dbraw/zinc/45/40/09/1068454009.db2.gz KFCYCKNSETYVKD-OAQYLSRUSA-N 1 0 471.650 3.624 20 0 JHADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(C)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001306047245 1068469854 /nfs/dbraw/zinc/46/98/54/1068469854.db2.gz FQQDAQHOEJNGOC-UHFFFAOYSA-N 1 0 491.128 3.616 20 0 JHADRO CCc1nnc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC([NH2+]C(C)C)CC2)s1 ZINC001306055393 1068493239 /nfs/dbraw/zinc/49/32/39/1068493239.db2.gz XGYAFSWCFRXWMT-UHFFFAOYSA-N 1 0 477.585 3.976 20 0 JHADRO CCc1nnc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cccc(C)c3)CC2)s1 ZINC001306057468 1068494945 /nfs/dbraw/zinc/49/49/45/1068494945.db2.gz BQRHZGHGJAMVEZ-UHFFFAOYSA-N 1 0 453.660 3.960 20 0 JHADRO CCc1nnc(N(C)Cc2ccc(Br)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001306073706 1068507094 /nfs/dbraw/zinc/50/70/94/1068507094.db2.gz NFKJJKVTNDLUGU-QGZVFWFLSA-N 1 0 450.425 3.740 20 0 JHADRO CCc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CCc1csc(C(C)C)n1 ZINC001306090459 1068515115 /nfs/dbraw/zinc/51/51/15/1068515115.db2.gz RYFNOXXPCOEYJB-UHFFFAOYSA-N 1 0 467.687 3.922 20 0 JHADRO CCc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001306101570 1068518392 /nfs/dbraw/zinc/51/83/92/1068518392.db2.gz LCCHLJPAYFFPKP-INIZCTEOSA-N 1 0 470.481 3.784 20 0 JHADRO CCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001306114249 1068523181 /nfs/dbraw/zinc/52/31/81/1068523181.db2.gz YCGNJOXMTNOSJL-PWIZWCRZSA-N 1 0 467.536 3.842 20 0 JHADRO CCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001306113032 1068523195 /nfs/dbraw/zinc/52/31/95/1068523195.db2.gz UCUACQNCBTXTCC-IHPCNDPISA-N 1 0 451.537 3.561 20 0 JHADRO CCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001306118482 1068525808 /nfs/dbraw/zinc/52/58/08/1068525808.db2.gz ILZOWPCBIXQFLV-FQEVSTJZSA-N 1 0 453.635 3.519 20 0 JHADRO CCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001306119207 1068526948 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CC/C=C\Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001306479748 1069020225 /nfs/dbraw/zinc/02/02/25/1069020225.db2.gz RHJVATMXXXRGFT-DFOOEPSASA-N 1 0 474.650 3.617 20 0 JHADRO CC/C=C\Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001306479945 1069020852 /nfs/dbraw/zinc/02/08/52/1069020852.db2.gz ZWFVUKMVAPHTNH-FNUUXAGOSA-N 1 0 463.630 3.809 20 0 JHADRO CC/C=C\Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001306488128 1069026869 /nfs/dbraw/zinc/02/68/69/1069026869.db2.gz XMJUXILEHXFVAK-SREVYHEPSA-N 1 0 463.630 3.886 20 0 JHADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)CC1 ZINC001310579451 1069028343 /nfs/dbraw/zinc/02/83/43/1069028343.db2.gz BCRIBQZYCKMBQG-OALUTQOASA-N 1 0 454.537 3.536 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001306498979 1069051714 /nfs/dbraw/zinc/05/17/14/1069051714.db2.gz MSSRGDVFJNQPOK-RPWUZVMVSA-N 1 0 452.647 3.774 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001306500696 1069061154 /nfs/dbraw/zinc/06/11/54/1069061154.db2.gz AJNWXHBTWNWSQB-HSZRJFAPSA-N 1 0 452.647 3.931 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](CC)C2CC2)C1 ZINC001306503327 1069072778 /nfs/dbraw/zinc/07/27/78/1069072778.db2.gz DYTWPKXYNUPBDN-KJXAQDMKSA-N 1 0 474.694 3.566 20 0 JHADRO O=C(Nc1cc2c(cc1Br)CCC2)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001310646376 1069080722 /nfs/dbraw/zinc/08/07/22/1069080722.db2.gz YYLBGHIVOMVSHK-SIKLNZKXSA-N 1 0 458.400 3.942 20 0 JHADRO CCOC(=O)c1nc(NC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)sc1C(C)=O ZINC001310655326 1069089332 /nfs/dbraw/zinc/08/93/32/1069089332.db2.gz CIXMLDXRFKHVNL-YJBOKZPZSA-N 1 0 458.584 3.945 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001306508139 1069094501 /nfs/dbraw/zinc/09/45/01/1069094501.db2.gz CPIVCERWJABJCT-UHFFFAOYSA-N 1 0 489.064 3.596 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001306509662 1069098930 /nfs/dbraw/zinc/09/89/30/1069098930.db2.gz YPPDTAJTWNOHBQ-RTWAWAEBSA-N 1 0 487.718 3.639 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001306512955 1069110099 /nfs/dbraw/zinc/11/00/99/1069110099.db2.gz RCQZHXLVIAALAR-RUZDIDTESA-N 1 0 489.668 3.760 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001306513191 1069111108 /nfs/dbraw/zinc/11/11/08/1069111108.db2.gz UXTIVZSSQGWFGY-HSZRJFAPSA-N 1 0 478.641 3.958 20 0 JHADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)Nc3cc([C@@H]4CCCO4)nn3C)cc2)C[C@H]1C ZINC001310687005 1069111470 /nfs/dbraw/zinc/11/14/70/1069111470.db2.gz YGEYAUFFTJKICY-PWHSHALESA-N 1 0 455.603 3.602 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)C1 ZINC001306516671 1069123585 /nfs/dbraw/zinc/12/35/85/1069123585.db2.gz ZOYQXJHFKKCDRD-QFIPXVFZSA-N 1 0 474.694 3.569 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001306517399 1069127227 /nfs/dbraw/zinc/12/72/27/1069127227.db2.gz NUYPXWLDGKSDIK-UGKGYDQZSA-N 1 0 481.670 3.837 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@H](C)[NH+](C)C)C1 ZINC001306517755 1069129164 /nfs/dbraw/zinc/12/91/64/1069129164.db2.gz BPVFWDVPGRMBEL-RBUKOAKNSA-N 1 0 451.619 3.509 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001306518382 1069132467 /nfs/dbraw/zinc/13/24/67/1069132467.db2.gz RPRWQOMLQGCQDL-HXUWFJFHSA-N 1 0 455.651 3.670 20 0 JHADRO COc1ccc([C@@H](CNC(=O)Nc2nnn(Cc3ccccc3F)c2C)[NH+]2CCCC2)cc1 ZINC001310724782 1069136360 /nfs/dbraw/zinc/13/63/60/1069136360.db2.gz OYLFPOFCQPLTLP-JOCHJYFZSA-N 1 0 452.534 3.741 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001306519671 1069137722 /nfs/dbraw/zinc/13/77/22/1069137722.db2.gz QFHXSCSMYOECMK-QHCPKHFHSA-N 1 0 496.700 3.751 20 0 JHADRO Cc1nc(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)sc1Cc1ccc(F)cc1F ZINC001310740142 1069143868 /nfs/dbraw/zinc/14/38/68/1069143868.db2.gz QFIPORSKBCPSTP-UHFFFAOYSA-N 1 0 450.555 3.897 20 0 JHADRO Cc1csc(N2CCN(C(=O)Nc3cc(Cl)ccc3OC3CC[NH+](C)CC3)CC2)n1 ZINC001310745091 1069147604 /nfs/dbraw/zinc/14/76/04/1069147604.db2.gz GKUXVRZHAAMSOS-UHFFFAOYSA-N 1 0 450.008 3.932 20 0 JHADRO C[N@H+](CCNC(=O)C1CCN(C(=O)Nc2nc(C(C)(C)C)cs2)CC1)Cc1ccccc1 ZINC001310746449 1069148254 /nfs/dbraw/zinc/14/82/54/1069148254.db2.gz NFRHQSATPQGYJD-UHFFFAOYSA-N 1 0 457.644 3.933 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001306529402 1069164661 /nfs/dbraw/zinc/16/46/61/1069164661.db2.gz JBRUFFMCISXNDP-RLWLMLJZSA-N 1 0 471.646 3.967 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306531915 1069172900 /nfs/dbraw/zinc/17/29/00/1069172900.db2.gz WSHDZDNTPYNHKB-SQHAQQRYSA-N 1 0 468.690 3.663 20 0 JHADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2cccc(Cl)c2OCC(F)F)c1 ZINC001310826175 1069180418 /nfs/dbraw/zinc/18/04/18/1069180418.db2.gz IFZGVWOLRIOUGW-UHFFFAOYSA-N 1 0 454.905 3.597 20 0 JHADRO CCC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001306537350 1069183075 /nfs/dbraw/zinc/18/30/75/1069183075.db2.gz RISQLZQARPQJMX-BPUGDSSMSA-N 1 0 490.693 3.617 20 0 JHADRO CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)c2)c1 ZINC001310832383 1069183718 /nfs/dbraw/zinc/18/37/18/1069183718.db2.gz LQTICBXZADOLEX-VWLOTQADSA-N 1 0 450.539 3.675 20 0 JHADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001310878079 1069205215 /nfs/dbraw/zinc/20/52/15/1069205215.db2.gz SBGLUFPFCWETHT-INIZCTEOSA-N 1 0 457.522 3.722 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001306552223 1069217284 /nfs/dbraw/zinc/21/72/84/1069217284.db2.gz KJDZPZYINJHILZ-RBZQAINGSA-N 1 0 488.721 3.673 20 0 JHADRO CCC[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001306552610 1069218413 /nfs/dbraw/zinc/21/84/13/1069218413.db2.gz XPTOACKSEVJCAT-KHVXQDHOSA-N 1 0 468.690 3.819 20 0 JHADRO C[C@H]1CN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001310938169 1069228142 /nfs/dbraw/zinc/22/81/42/1069228142.db2.gz PODZPRHVGJEWOT-SJLPKXTDSA-N 1 0 458.525 3.606 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC001310939589 1069229216 /nfs/dbraw/zinc/22/92/16/1069229216.db2.gz XUAMSWKEANKNPF-DLBZAZTESA-N 1 0 450.546 3.740 20 0 JHADRO Cc1c(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cnn1-c1ccc(F)cc1F ZINC001310952036 1069232370 /nfs/dbraw/zinc/23/23/70/1069232370.db2.gz QOGMWXSCVCDZGV-UHFFFAOYSA-N 1 0 455.509 3.737 20 0 JHADRO COC(=O)C[C@@](C)(NC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1)c1cccnc1 ZINC001310981355 1069239291 /nfs/dbraw/zinc/23/92/91/1069239291.db2.gz GUJRHWLHXZOYTB-HSZRJFAPSA-N 1 0 453.568 3.886 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[N@@H+]1CCC ZINC001306571819 1069239460 /nfs/dbraw/zinc/23/94/60/1069239460.db2.gz NHFOXIOPRLDIRB-OALUTQOASA-N 1 0 461.680 3.737 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001306572368 1069239651 /nfs/dbraw/zinc/23/96/51/1069239651.db2.gz BVUMTSBQEPDRNW-DYESRHJHSA-N 1 0 465.631 3.910 20 0 JHADRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3cc(OCC(F)(F)F)cc(OCC(F)(F)F)c3)C[C@]2(C)C1 ZINC001310989075 1069241897 /nfs/dbraw/zinc/24/18/97/1069241897.db2.gz DAQCXQHBZJOELD-PXAZEXFGSA-N 1 0 455.399 3.984 20 0 JHADRO CCC[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001306580702 1069245522 /nfs/dbraw/zinc/24/55/22/1069245522.db2.gz LTVFABXUAMYMAY-REWPJTCUSA-N 1 0 455.647 3.802 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001306582589 1069247007 /nfs/dbraw/zinc/24/70/07/1069247007.db2.gz WQYNMESDKJKZFK-SFTDATJTSA-N 1 0 454.667 3.809 20 0 JHADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC2([NH+](C)C)CCC2)C1 ZINC001306585041 1069250747 /nfs/dbraw/zinc/25/07/47/1069250747.db2.gz KWMINYWWXMMPSC-FPOVZHCZSA-N 1 0 467.662 3.654 20 0 JHADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(S(C)(=O)=O)cn1 ZINC001311069805 1069263883 /nfs/dbraw/zinc/26/38/83/1069263883.db2.gz IPQKFLRGMPSSPL-UHFFFAOYSA-N 1 0 453.008 3.905 20 0 JHADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc(Cl)cc1SCCC(=O)OC ZINC001311096411 1069272437 /nfs/dbraw/zinc/27/24/37/1069272437.db2.gz LBCPHKKAVQDFOF-UHFFFAOYSA-N 1 0 458.024 3.817 20 0 JHADRO CCCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CCC1 ZINC001306597965 1069273721 /nfs/dbraw/zinc/27/37/21/1069273721.db2.gz ADLFIKVWRWNKQT-LJQANCHMSA-N 1 0 459.660 3.849 20 0 JHADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)CC1 ZINC001311098983 1069273725 /nfs/dbraw/zinc/27/37/25/1069273725.db2.gz DXYWKCKANBKEON-UHFFFAOYSA-N 1 0 455.525 3.592 20 0 JHADRO C[C@@H]1CC[C@H](NC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CN1C(=O)OC(C)(C)C ZINC001311164826 1069287846 /nfs/dbraw/zinc/28/78/46/1069287846.db2.gz ZKYHCRDEVQGCIJ-KAGYGMCKSA-N 1 0 457.619 3.881 20 0 JHADRO C[C@H]([NH2+]C1(CNC(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)CCOCC1)c1ccccc1 ZINC001311173261 1069288927 /nfs/dbraw/zinc/28/89/27/1069288927.db2.gz YZCKLRMXTKJJTI-MHECFPHRSA-N 1 0 452.555 3.663 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](CC)[NH+]2CCCC2)CCO1 ZINC001306615936 1069296580 /nfs/dbraw/zinc/29/65/80/1069296580.db2.gz CPMRYZJKRSCXJO-RBUKOAKNSA-N 1 0 479.467 3.926 20 0 JHADRO CN(C)c1cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc(C(F)(F)F)c1 ZINC001311230241 1069302662 /nfs/dbraw/zinc/30/26/62/1069302662.db2.gz ZDDWXXLXDUSXCO-UWJYYQICSA-N 1 0 450.505 3.776 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(Cl)c2)CC[N@@H+]1CCOC ZINC001306620921 1069308158 /nfs/dbraw/zinc/30/81/58/1069308158.db2.gz KWUIJNSZPKFRTA-HXUWFJFHSA-N 1 0 487.048 3.931 20 0 JHADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000031145082 563107816 /nfs/dbraw/zinc/10/78/16/563107816.db2.gz AUXAKKVQNNUGAN-HSZRJFAPSA-N 1 0 476.042 3.694 20 0 JHADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3C[C@H]4C[NH2+]C[C@]4(CO)C3)n2)CC1 ZINC001164401351 718853720 /nfs/dbraw/zinc/85/37/20/718853720.db2.gz BDIKOHHJFKURNK-MZNJEOGPSA-N 1 0 469.680 3.670 20 0 JHADRO Cc1sc2nc(CN3CCOCC3)nc(N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)c2c1C ZINC001164413987 718880926 /nfs/dbraw/zinc/88/09/26/718880926.db2.gz PINNKRUJVHUQJM-INIZCTEOSA-N 1 0 469.577 3.794 20 0 JHADRO CC(C)(C)C(=O)Nc1ccnc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1CN1CC[C@@H](CO)C1 ZINC001164415080 718880972 /nfs/dbraw/zinc/88/09/72/718880972.db2.gz ZYEAWJQHBDOACR-XLIONFOSSA-N 1 0 497.606 3.534 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164618214 719007152 /nfs/dbraw/zinc/00/71/52/719007152.db2.gz REJASSGUZRCHBE-JTSKRJEESA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164616052 719011029 /nfs/dbraw/zinc/01/10/29/719011029.db2.gz KHGNJFCGQJZOCR-HRAATJIYSA-N 1 0 486.947 3.521 20 0 JHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(OC)c2)c1 ZINC001164620388 719020066 /nfs/dbraw/zinc/02/00/66/719020066.db2.gz YTGOODWWAAACBS-ZOCIIQOWSA-N 1 0 451.901 3.685 20 0 JHADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@@H]5[C@H](OCc6ccncc6)CC[C@H]54)ccc3C2)cc1 ZINC001164648518 719292874 /nfs/dbraw/zinc/29/28/74/719292874.db2.gz UUADFEVKWPXORV-GTNKKZTPSA-N 1 0 456.590 3.988 20 0 JHADRO CC(C)N(C)Cc1nn(-c2nc(-c3ccccn3)c(-c3ccccn3)nc2Cl)c2c1CC[NH2+]C2 ZINC001164684338 719652589 /nfs/dbraw/zinc/65/25/89/719652589.db2.gz WXTAQQPUDUMYMR-UHFFFAOYSA-N 1 0 475.000 3.926 20 0 JHADRO Cc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1NC(C)C ZINC001164680691 719655055 /nfs/dbraw/zinc/65/50/55/719655055.db2.gz HRLCVSKEPAEACU-NRFANRHFSA-N 1 0 464.658 3.699 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(NC(=O)C(C)(C)C)nn3)CC2)c2ccccc21 ZINC001164681155 719668107 /nfs/dbraw/zinc/66/81/07/719668107.db2.gz KGMNEGMRVBOOIS-FQEVSTJZSA-N 1 0 492.668 3.555 20 0 JHADRO CSc1cnc(Cl)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681906 719670401 /nfs/dbraw/zinc/67/04/01/719670401.db2.gz OCUCEOGLHPGVDW-QGZVFWFLSA-N 1 0 474.074 3.945 20 0 JHADRO COc1ccc(Cl)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684322 719671391 /nfs/dbraw/zinc/67/13/91/719671391.db2.gz SZPFIOODUJYNQU-SFHVURJKSA-N 1 0 457.018 3.837 20 0 JHADRO COc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc2ccccc21 ZINC001164680485 719672061 /nfs/dbraw/zinc/67/20/61/719672061.db2.gz GKAWJIGHVZFKRZ-HXUWFJFHSA-N 1 0 473.621 3.732 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccnc(-c4cccnc4)n3)CC2)c2ccccc21 ZINC001164682818 719672200 /nfs/dbraw/zinc/67/22/00/719672200.db2.gz PTUQDNSUEBZHSD-JOCHJYFZSA-N 1 0 470.621 3.632 20 0 JHADRO CCOC(=O)/C=C/c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164684573 719673089 /nfs/dbraw/zinc/67/30/89/719673089.db2.gz UVKSQWXPHZJXDN-XDQZKXAQSA-N 1 0 490.648 3.751 20 0 JHADRO CCOC(=O)/C=C\c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164684566 719673455 /nfs/dbraw/zinc/67/34/55/719673455.db2.gz UVKSQWXPHZJXDN-CEGXDQTDSA-N 1 0 490.648 3.751 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)c(F)cc3N)CC2)c2ccccc21 ZINC001164681927 719674494 /nfs/dbraw/zinc/67/44/94/719674494.db2.gz OLNCVDXGPPMFEF-MRXNPFEDSA-N 1 0 459.997 3.550 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccnc(N4CCCCC4)n3)CC2)c2ccccc21 ZINC001164680101 719676178 /nfs/dbraw/zinc/67/61/78/719676178.db2.gz CJVUPFXWIOHHDY-JOCHJYFZSA-N 1 0 476.669 3.560 20 0 JHADRO CSc1ncc(Cl)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164679999 719676363 /nfs/dbraw/zinc/67/63/63/719676363.db2.gz AJCIHAAAZFKLJD-QGZVFWFLSA-N 1 0 474.074 3.945 20 0 JHADRO CN(C)C(=O)c1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)c1 ZINC001164681083 719678314 /nfs/dbraw/zinc/67/83/14/719678314.db2.gz JIKNDNAUPRZFJI-LJQANCHMSA-N 1 0 498.071 3.530 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(-c4ccccn4)ncn3)CC2)c2ccccc21 ZINC001164686857 719678819 /nfs/dbraw/zinc/67/88/19/719678819.db2.gz YCXSAIOOEFIHCB-OAQYLSRUSA-N 1 0 470.621 3.632 20 0 JHADRO Cc1nc(-c2ccncc2)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681832 719679560 /nfs/dbraw/zinc/67/95/60/719679560.db2.gz NSAQUKZCJFNUTE-HSZRJFAPSA-N 1 0 484.648 3.940 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(CSC)nc3sc4c(c31)CCCC4)CC2 ZINC001164690226 719741913 /nfs/dbraw/zinc/74/19/13/719741913.db2.gz VWOFROHRPTVWKR-UHFFFAOYSA-N 1 0 459.685 3.614 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3cccc(Cl)c3)nc3c1CCCC3)CC2 ZINC001164690225 719747717 /nfs/dbraw/zinc/74/77/17/719747717.db2.gz VWCNJBMSMZUNJG-UHFFFAOYSA-N 1 0 454.018 3.857 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)CC2 ZINC001164692987 719757892 /nfs/dbraw/zinc/75/78/92/719757892.db2.gz WYLQYYYCVZYBOB-UHFFFAOYSA-N 1 0 463.960 3.831 20 0 JHADRO CCOC(=O)C1CCN(c2ccc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)nn2)CC1 ZINC001164691301 719811392 /nfs/dbraw/zinc/81/13/92/719811392.db2.gz FCTOBRSNQZOTEA-UHFFFAOYSA-N 1 0 484.670 3.656 20 0 JHADRO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164692087 719814017 /nfs/dbraw/zinc/81/40/17/719814017.db2.gz LMJMGIMSDICRNR-GOSISDBHSA-N 1 0 477.700 3.948 20 0 JHADRO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164697183 719817372 /nfs/dbraw/zinc/81/73/72/719817372.db2.gz AQCDPCIVEPKZFH-AWEZNQCLSA-N 1 0 450.008 3.806 20 0 JHADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2)C1 ZINC001164698444 719897732 /nfs/dbraw/zinc/89/77/32/719897732.db2.gz SVPLODLIAUNRQX-HXUWFJFHSA-N 1 0 454.640 3.887 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3c1CCCC3)CC2 ZINC001164718588 720115568 /nfs/dbraw/zinc/11/55/68/720115568.db2.gz SXFVJUDULDSJKB-FQEVSTJZSA-N 1 0 453.656 3.980 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164717488 720117357 /nfs/dbraw/zinc/11/73/57/720117357.db2.gz PMUQULOCSVDLPH-JOCHJYFZSA-N 1 0 452.599 3.939 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3cc1C(=O)OC)CC2 ZINC001164711153 720128772 /nfs/dbraw/zinc/12/87/72/720128772.db2.gz FRDXRFVWDZFJAG-JOCHJYFZSA-N 1 0 460.578 3.924 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3nc(SC)sc31)CC2 ZINC001164714161 720130846 /nfs/dbraw/zinc/13/08/46/720130846.db2.gz WOFPQGPKIGHKEK-KRWDZBQOSA-N 1 0 456.641 3.711 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164711166 720147832 /nfs/dbraw/zinc/14/78/32/720147832.db2.gz FSENEPMOHKJEOM-JPYJTQIMSA-N 1 0 499.965 3.838 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCC[C@H](C)C3)ncn1)CC2 ZINC001164710806 720149946 /nfs/dbraw/zinc/14/99/46/720149946.db2.gz CVJMIDYXZHMQEW-GMAHTHKFSA-N 1 0 450.631 3.615 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164818765 720161033 /nfs/dbraw/zinc/16/10/33/720161033.db2.gz UOFZTYLWOBOZBO-AVRDEDQJSA-N 1 0 463.960 3.922 20 0 JHADRO Cn1nnc2c1CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718753 720179773 /nfs/dbraw/zinc/17/97/73/720179773.db2.gz QKFXEIAMDBKIDW-XMMPIXPASA-N 1 0 496.619 3.550 20 0 JHADRO Cn1nnc2c1CCN(c1nc(Cl)ccc1-c1ccccc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715880 720180950 /nfs/dbraw/zinc/18/09/50/720180950.db2.gz CVJCOUPEHUYVHN-NRFANRHFSA-N 1 0 452.990 3.747 20 0 JHADRO Cn1nnc2c1CCN(C(F)(F)c1cc3ccccc3nc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713427 720189451 /nfs/dbraw/zinc/18/94/51/720189451.db2.gz CFPCIVUWBLREAS-HXUWFJFHSA-N 1 0 476.959 3.778 20 0 JHADRO Cn1nnc2c1CCN(c1nnc(Cc3ccccc3)c3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713226 720194898 /nfs/dbraw/zinc/19/48/98/720194898.db2.gz ABPKYPUMQKBAFE-AREMUKBSSA-N 1 0 483.620 3.565 20 0 JHADRO Cn1nnc2c1CCN(c1nc(-c3ccsc3)nc3ccccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164716637 720198067 /nfs/dbraw/zinc/19/80/67/720198067.db2.gz QLAONVMZPQQZAO-QFIPXVFZSA-N 1 0 475.622 3.703 20 0 JHADRO CSc1ccc(C(F)(F)N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1Cl ZINC001164813447 720226247 /nfs/dbraw/zinc/22/62/47/720226247.db2.gz MHNDMXDPKRXPMM-UHFFFAOYSA-N 1 0 457.978 3.809 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)cc(Cc3ccccc3)n2)CC1 ZINC001164831390 720330927 /nfs/dbraw/zinc/33/09/27/720330927.db2.gz RSHDLPAYJVFMOX-YADHBBJMSA-N 1 0 454.018 3.632 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc3cc[nH]c3c(Cl)n2)CC1 ZINC001164829709 720332766 /nfs/dbraw/zinc/33/27/66/720332766.db2.gz NBTLMVQBFCUIOF-SJORKVTESA-N 1 0 451.949 3.673 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)CC1 ZINC001164830263 720336226 /nfs/dbraw/zinc/33/62/26/720336226.db2.gz PIKNUCYHOMXIMQ-OALUTQOASA-N 1 0 490.986 3.648 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cccc3c(Cl)ncnc32)CC1 ZINC001164829982 720342132 /nfs/dbraw/zinc/34/21/32/720342132.db2.gz URGZLTRIGKMNQB-RTBURBONSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)CC1 ZINC001164831692 720342904 /nfs/dbraw/zinc/34/29/04/720342904.db2.gz ZOQSERDZCVLGHQ-OALUTQOASA-N 1 0 490.986 3.648 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(-c3ccc(Cl)nn3)ccc2F)CC1 ZINC001164827467 720344756 /nfs/dbraw/zinc/34/47/56/720344756.db2.gz LRRHOTBQCBRKMB-RTWAWAEBSA-N 1 0 457.981 3.848 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(SCc3ccccc3)ncn2)CC1 ZINC001164824272 720347495 /nfs/dbraw/zinc/34/74/95/720347495.db2.gz HTQXHNYVJNWEFV-YADHBBJMSA-N 1 0 451.640 3.680 20 0 JHADRO 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CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCCc4ccncc4)[C@@H]3C2)nc1 ZINC001165013213 721754351 /nfs/dbraw/zinc/75/43/51/721754351.db2.gz KHNQKZVRACVDQJ-SSUZURRFSA-N 1 0 477.653 3.614 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)C[C@H]21 ZINC001165025691 721824242 /nfs/dbraw/zinc/82/42/42/721824242.db2.gz NJSZNWLCLZYJGX-XSBVVTFOSA-N 1 0 483.664 3.935 20 0 JHADRO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165026722 721825065 /nfs/dbraw/zinc/82/50/65/721825065.db2.gz PUQMSEDHZFTQIP-WUMKDDEVSA-N 1 0 471.671 3.680 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)nc1 ZINC001164928139 721833880 /nfs/dbraw/zinc/83/38/80/721833880.db2.gz WQAQHJDIONWSRV-AOYPEHQESA-N 1 0 485.698 3.891 20 0 JHADRO COC(=O)c1ccc2c(c1)ncnc2N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165019294 721838975 /nfs/dbraw/zinc/83/89/75/721838975.db2.gz CFVZQKHNLQMIRU-UHFFFAOYSA-N 1 0 450.539 3.534 20 0 JHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccnc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001165020381 721840057 /nfs/dbraw/zinc/84/00/57/721840057.db2.gz IRCAMVRPITXSIK-UHFFFAOYSA-N 1 0 457.575 3.942 20 0 JHADRO Cc1nc2c(cc(-c3nc(N4CC[C@@H]5[C@@H]4CCN5CC[NH+](C)C)ncc3F)cc2F)n1C(C)C ZINC001164925253 721863619 /nfs/dbraw/zinc/86/36/19/721863619.db2.gz NBYNZOYXHXTDKJ-RTWAWAEBSA-N 1 0 469.584 3.875 20 0 JHADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164925981 721871723 /nfs/dbraw/zinc/87/17/23/721871723.db2.gz PMGIDMAZVXXRGF-VQTJNVASSA-N 1 0 460.981 3.932 20 0 JHADRO CC1CCN(Cc2nc3sc4c(c3c(N3CC[C@@H]5[C@@H]3CC[N@@H+]5CCN(C)C)n2)CCC4)CC1 ZINC001164932858 721879334 /nfs/dbraw/zinc/87/93/34/721879334.db2.gz KCLCVYIOPVZUJU-RTWAWAEBSA-N 1 0 468.715 3.627 20 0 JHADRO O=C(C[C@@H]1OC[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]12)NC1CCC1 ZINC001164933717 721895689 /nfs/dbraw/zinc/89/56/89/721895689.db2.gz NEOQFDLYEJDMLX-FBILRYNDSA-N 1 0 460.622 3.540 20 0 JHADRO 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CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001306680728 1069407743 /nfs/dbraw/zinc/40/77/43/1069407743.db2.gz ZYIUHVLNNQCINY-JOCHJYFZSA-N 1 0 454.663 3.614 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001306682048 1069412412 /nfs/dbraw/zinc/41/24/12/1069412412.db2.gz APPWKEHWJIIEEH-JOCHJYFZSA-N 1 0 461.676 3.643 20 0 JHADRO CCCC[N@H+](C)CCn1c(C)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001306680748 1069408589 /nfs/dbraw/zinc/40/85/89/1069408589.db2.gz DSLBUMDDGMJSMF-GOSISDBHSA-N 1 0 458.598 3.789 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001306681323 1069410070 /nfs/dbraw/zinc/41/00/70/1069410070.db2.gz WTNZBXKEZFCZEL-OAQYLSRUSA-N 1 0 459.038 3.825 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001306683531 1069417246 /nfs/dbraw/zinc/41/72/46/1069417246.db2.gz WGVWFEKIABIHQE-UHFFFAOYSA-N 1 0 482.032 3.688 20 0 JHADRO 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CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001306734751 1069497565 /nfs/dbraw/zinc/49/75/65/1069497565.db2.gz PVQXPEUSJDDULS-HKBOAZHASA-N 1 0 455.651 3.669 20 0 JHADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001311671706 1069497971 /nfs/dbraw/zinc/49/79/71/1069497971.db2.gz DQXNDVWWMQHHRH-ZACQAIPSSA-N 1 0 455.430 3.827 20 0 JHADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001311687482 1069503232 /nfs/dbraw/zinc/50/32/32/1069503232.db2.gz DRYJGCBMRHUEPY-GKJHBJHPSA-N 1 0 462.610 3.948 20 0 JHADRO Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001311686150 1069503293 /nfs/dbraw/zinc/50/32/93/1069503293.db2.gz WJYSNAUUJQNGEJ-UHFFFAOYSA-N 1 0 450.608 3.809 20 0 JHADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)C1 ZINC001311714690 1069515622 /nfs/dbraw/zinc/51/56/22/1069515622.db2.gz SMZNSOWKUIHIQX-RDPSFJRHSA-N 1 0 450.583 3.922 20 0 JHADRO CCN(C(=O)N[C@@H](CCSC)c1nnc2ccccn21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311716378 1069516717 /nfs/dbraw/zinc/51/67/17/1069516717.db2.gz WKJWZDCVRZZWIT-SFTDATJTSA-N 1 0 452.628 3.830 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCc3sccc3C2)CC1 ZINC001306742309 1069519807 /nfs/dbraw/zinc/51/98/07/1069519807.db2.gz LCMMCFYYGKQHST-UHFFFAOYSA-N 1 0 472.703 3.828 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001306741661 1069518418 /nfs/dbraw/zinc/51/84/18/1069518418.db2.gz LXKLMNZXFCSNGW-HNNXBMFYSA-N 1 0 497.507 3.852 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001306741938 1069519215 /nfs/dbraw/zinc/51/92/15/1069519215.db2.gz OUSKHPREONCQOQ-NRFANRHFSA-N 1 0 456.635 3.854 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306743543 1069522802 /nfs/dbraw/zinc/52/28/02/1069522802.db2.gz JSOXZCGIESRELL-GOTSBHOMSA-N 1 0 495.716 3.907 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([NH+](C)C)CCC2)C1 ZINC001306743829 1069523117 /nfs/dbraw/zinc/52/31/17/1069523117.db2.gz UDOCPRZGNPPAFO-BHDDXSALSA-N 1 0 488.721 3.814 20 0 JHADRO O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001311727891 1069524085 /nfs/dbraw/zinc/52/40/85/1069524085.db2.gz OVGNAUWSIFZGJK-WWPVKYPJSA-N 1 0 459.537 3.848 20 0 JHADRO CCCN(C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001311761903 1069536942 /nfs/dbraw/zinc/53/69/42/1069536942.db2.gz VMPBBVNHRJETNI-GOTSBHOMSA-N 1 0 457.663 3.883 20 0 JHADRO CN1CCC([NH+]2CCC(NC(=O)NCc3ccc(COc4ccc(F)cc4)cc3)CC2)CC1 ZINC001311778308 1069542932 /nfs/dbraw/zinc/54/29/32/1069542932.db2.gz VCCSPPCOEMKNJW-UHFFFAOYSA-N 1 0 454.590 3.763 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CCOCC3)n2CC2([NH+](C)C)CCCC2)cc1OC ZINC001306756226 1069553769 /nfs/dbraw/zinc/55/37/69/1069553769.db2.gz VSHNIJDQNAVUHU-UHFFFAOYSA-N 1 0 457.619 3.844 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N[C@H](COC)c2cccc(OC)c2)CC1 ZINC001311822620 1069561617 /nfs/dbraw/zinc/56/16/17/1069561617.db2.gz PTKZHDUNCCNBAL-WZONZLPQSA-N 1 0 458.578 3.724 20 0 JHADRO CCCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001306764077 1069565618 /nfs/dbraw/zinc/56/56/18/1069565618.db2.gz UGBJPGFJQLYDBX-SFTDATJTSA-N 1 0 476.666 3.841 20 0 JHADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC001311829922 1069567573 /nfs/dbraw/zinc/56/75/73/1069567573.db2.gz ORYXVVSJKHTSKB-QHCPKHFHSA-N 1 0 451.055 3.867 20 0 JHADRO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001306768332 1069568502 /nfs/dbraw/zinc/56/85/02/1069568502.db2.gz LEEPZXSZZPFPLN-IBGZPJMESA-N 1 0 475.707 3.905 20 0 JHADRO CCCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306770532 1069570020 /nfs/dbraw/zinc/57/00/20/1069570020.db2.gz RQEHHLRELXZJNC-UHFFFAOYSA-N 1 0 480.451 3.798 20 0 JHADRO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001306774108 1069571428 /nfs/dbraw/zinc/57/14/28/1069571428.db2.gz FLGLNBHFVZRRNX-NRFANRHFSA-N 1 0 472.634 3.543 20 0 JHADRO O=C(NCc1cccc(NC(=O)NCc2ccncc2)c1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001311841789 1069574557 /nfs/dbraw/zinc/57/45/57/1069574557.db2.gz HEQKSAWLCDUVCB-HSZRJFAPSA-N 1 0 450.587 3.610 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(C)COCCO2)C1 ZINC001306778990 1069575048 /nfs/dbraw/zinc/57/50/48/1069575048.db2.gz CMXZVPSLIBQRJB-KOSHJBKYSA-N 1 0 479.572 3.520 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCn2cc(Br)cn2)C1 ZINC001306779466 1069575378 /nfs/dbraw/zinc/57/53/78/1069575378.db2.gz GTRGVBIKAPNUKZ-QGZVFWFLSA-N 1 0 466.472 3.793 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C)CCOCC2)C1 ZINC001306779289 1069575560 /nfs/dbraw/zinc/57/55/60/1069575560.db2.gz FBYFINZURZLHRQ-FQEVSTJZSA-N 1 0 471.646 3.947 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC001306780249 1069576775 /nfs/dbraw/zinc/57/67/75/1069576775.db2.gz AIIKESBQSHFIJM-MJGOQNOKSA-N 1 0 478.037 3.669 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)c2ccco2)C1 ZINC001306779893 1069576849 /nfs/dbraw/zinc/57/68/49/1069576849.db2.gz JSYWFXOMFJWKET-ZHRRBRCNSA-N 1 0 491.434 3.705 20 0 JHADRO CCC[C@H](NC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCc2sccc2C1 ZINC001311856519 1069582335 /nfs/dbraw/zinc/58/23/35/1069582335.db2.gz YINSDNHSSXYJLM-OFVILXPXSA-N 1 0 454.640 3.765 20 0 JHADRO CC(C)(C)OC(=O)N(CCNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC001311857166 1069582821 /nfs/dbraw/zinc/58/28/21/1069582821.db2.gz DHAAEINLSNRSHQ-ACIOBRDBSA-N 1 0 456.631 3.986 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2noc(CC)n2)C1 ZINC001306783879 1069583120 /nfs/dbraw/zinc/58/31/20/1069583120.db2.gz JVCLEERCOCNYLK-KRWDZBQOSA-N 1 0 458.010 3.955 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2SCCc3ccccc32)C1 ZINC001306781264 1069579535 /nfs/dbraw/zinc/57/95/35/1069579535.db2.gz DGCQFSYHTCBVKH-UGKGYDQZSA-N 1 0 470.687 3.615 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](OC)C(C)(C)C)C1 ZINC001306782148 1069579806 /nfs/dbraw/zinc/57/98/06/1069579806.db2.gz BSWUTCOUSILGTO-PGRDOPGGSA-N 1 0 457.619 3.903 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 ZINC001306781715 1069580082 /nfs/dbraw/zinc/58/00/82/1069580082.db2.gz BRFABKHXBZIOAL-JOCHJYFZSA-N 1 0 485.654 3.608 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2nc(C(C)(C)C)cs2)C1 ZINC001306782397 1069580475 /nfs/dbraw/zinc/58/04/75/1069580475.db2.gz DVJATXBDGYPJRP-QGZVFWFLSA-N 1 0 454.648 3.706 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)CC)C1 ZINC001306782151 1069580573 /nfs/dbraw/zinc/58/05/73/1069580573.db2.gz BUKXYBACHRLICM-FQEVSTJZSA-N 1 0 475.703 3.845 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](CC)OC)C1 ZINC001306783722 1069583536 /nfs/dbraw/zinc/58/35/36/1069583536.db2.gz OGCPJEPBFAHWCL-RBBKRZOGSA-N 1 0 492.709 3.986 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCOC2)C1 ZINC001306783576 1069581523 /nfs/dbraw/zinc/58/15/23/1069581523.db2.gz LOIOTAVPQVJUSG-VXKWHMMOSA-N 1 0 468.646 3.742 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C(C)C)CC2)C1 ZINC001306783198 1069581639 /nfs/dbraw/zinc/58/16/39/1069581639.db2.gz YWXVKWXFWVCCRK-HXUWFJFHSA-N 1 0 473.687 3.953 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2COCCO2)C1 ZINC001306784007 1069584155 /nfs/dbraw/zinc/58/41/55/1069584155.db2.gz JTOZYLZWTJPFCL-NZQKXSOJSA-N 1 0 455.647 3.826 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001306784270 1069584736 /nfs/dbraw/zinc/58/47/36/1069584736.db2.gz QJZCMCIRRWRCDU-GGAORHGYSA-N 1 0 483.661 3.830 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(C)COCCO2)C1 ZINC001306784466 1069584762 /nfs/dbraw/zinc/58/47/62/1069584762.db2.gz LKMOEWWJCZMHEY-FDDCHVKYSA-N 1 0 492.462 3.681 20 0 JHADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001311860113 1069585542 /nfs/dbraw/zinc/58/55/42/1069585542.db2.gz BTDUYPUXNIOXPG-DVECYGJZSA-N 1 0 451.590 3.536 20 0 JHADRO COc1cccc(CC2CCN(C(=O)NCc3cccc(CN4CC[NH+](C)CC4)c3)CC2)c1 ZINC001311861570 1069586128 /nfs/dbraw/zinc/58/61/28/1069586128.db2.gz HUFGRSAHXJUVHV-UHFFFAOYSA-N 1 0 450.627 3.607 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001306785134 1069586233 /nfs/dbraw/zinc/58/62/33/1069586233.db2.gz PJBSPCSPBAZCTC-OAQYLSRUSA-N 1 0 476.629 3.650 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001306785133 1069586244 /nfs/dbraw/zinc/58/62/44/1069586244.db2.gz PJBSPCSPBAZCTC-NRFANRHFSA-N 1 0 476.629 3.650 20 0 JHADRO 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CCC[N@H+](CC)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001306802009 1069607527 /nfs/dbraw/zinc/60/75/27/1069607527.db2.gz DYKDFXBXFJTJON-FQEVSTJZSA-N 1 0 489.462 3.641 20 0 JHADRO O=C(NCC1(c2ccc(Br)s2)CCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC001311906833 1069607783 /nfs/dbraw/zinc/60/77/83/1069607783.db2.gz OJJJQQSGJPBCRK-UHFFFAOYSA-N 1 0 456.450 3.877 20 0 JHADRO CCOc1c(Cl)cc(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OC ZINC001314151160 1069611934 /nfs/dbraw/zinc/61/19/34/1069611934.db2.gz FWCPSMVLLSEZNL-SFHVURJKSA-N 1 0 478.037 3.669 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001306804329 1069613619 /nfs/dbraw/zinc/61/36/19/1069613619.db2.gz MTOLLHQMBZNCCT-FQEVSTJZSA-N 1 0 462.042 3.627 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001306804779 1069614927 /nfs/dbraw/zinc/61/49/27/1069614927.db2.gz NNIDPZDTXDWXPP-KRWDZBQOSA-N 1 0 464.039 3.703 20 0 JHADRO 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CCCN(CC1CC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[NH+]1CCC(C)CC1 ZINC001306812048 1069632502 /nfs/dbraw/zinc/63/25/02/1069632502.db2.gz OFOOSRCLFKUBDC-UHFFFAOYSA-N 1 0 459.660 3.707 20 0 JHADRO O=C(NCc1ccnc(OC2CCOCC2)c1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001311961855 1069638613 /nfs/dbraw/zinc/63/86/13/1069638613.db2.gz ATELKQHMBURTCC-QHCPKHFHSA-N 1 0 452.599 3.883 20 0 JHADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(CC)C2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC001311962243 1069638626 /nfs/dbraw/zinc/63/86/26/1069638626.db2.gz CZSRQAALKIZRPW-TZIWHRDSSA-N 1 0 454.656 3.554 20 0 JHADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2(c3ccccc3Br)CC2)[C@H](C)C1 ZINC001311963223 1069639934 /nfs/dbraw/zinc/63/99/34/1069639934.db2.gz HKNJUFNCIKPKHT-YLJYHZDGSA-N 1 0 452.437 3.917 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCc3c(Br)ccc(F)c3C2)[C@H](C)C1 ZINC001311965384 1069641279 /nfs/dbraw/zinc/64/12/79/1069641279.db2.gz QUSIVMYXFFKZMD-QRWLVFNGSA-N 1 0 456.400 3.793 20 0 JHADRO 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CCOc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1OC ZINC001314165282 1069661454 /nfs/dbraw/zinc/66/14/54/1069661454.db2.gz YGPNULXYIJJJOZ-VQTJNVASSA-N 1 0 471.627 3.942 20 0 JHADRO CCOc1cc2c(cc1OCC)CN(c1nnc(CC(C)C)n1CCN1CCOC(C)(C)C1)CC2 ZINC001314164951 1069660050 /nfs/dbraw/zinc/66/00/50/1069660050.db2.gz MKPQOYDIDPHHFQ-UHFFFAOYSA-N 1 0 485.673 3.948 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)Cc3scnc3C)n2CC[NH+]2CCSCC2)cc1OC ZINC001314165066 1069660782 /nfs/dbraw/zinc/66/07/82/1069660782.db2.gz WQGHBVQWQZTTFM-UHFFFAOYSA-N 1 0 488.683 3.803 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@](C(=O)N2CCCN(c3cc[nH+]cc3)CC2)(c2ccccc2)C1 ZINC001306864217 1069665680 /nfs/dbraw/zinc/66/56/80/1069665680.db2.gz MSTOHDWCATWOGN-AREMUKBSSA-N 1 0 450.583 3.699 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)CCn3cccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001314166578 1069665960 /nfs/dbraw/zinc/66/59/60/1069665960.db2.gz NVSOXMCPZABCIO-HSZRJFAPSA-N 1 0 481.645 3.806 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC=C(C)CC3)n2CC2CC[NH+](CCN(C)C)CC2)cc1OC ZINC001314168401 1069672430 /nfs/dbraw/zinc/67/24/30/1069672430.db2.gz GASBOPZFLCXALN-UHFFFAOYSA-N 1 0 482.673 3.782 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC001312016172 1069672206 /nfs/dbraw/zinc/67/22/06/1069672206.db2.gz WYYYJGYNCCBCFR-FCHUYYIVSA-N 1 0 478.033 3.662 20 0 JHADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](c3cc(F)cc(Br)c3)C3CC3)C2)CC1 ZINC001312016032 1069672241 /nfs/dbraw/zinc/67/22/41/1069672241.db2.gz RUKBPEBOVTZXOD-QUCCMNQESA-N 1 0 453.400 3.507 20 0 JHADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001312017733 1069673423 /nfs/dbraw/zinc/67/34/23/1069673423.db2.gz LQADMFZIFKGEAJ-HXUWFJFHSA-N 1 0 459.432 3.844 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)Cc3ccc(C)o3)n2CC[NH+]2CCSCC2)cc1OC ZINC001314168873 1069674361 /nfs/dbraw/zinc/67/43/61/1069674361.db2.gz QWBHVZMTNGOYJR-UHFFFAOYSA-N 1 0 471.627 3.939 20 0 JHADRO COc1cc(N[C@@H]2CCCN(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)C2)cc(OC)c1 ZINC001312022703 1069675725 /nfs/dbraw/zinc/67/57/25/1069675725.db2.gz AYLXQAGWZYPTPN-FYYLOGMGSA-N 1 0 452.599 3.954 20 0 JHADRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC001312022971 1069675852 /nfs/dbraw/zinc/67/58/52/1069675852.db2.gz DKZOQWPFFCMSDI-JIMJEQGWSA-N 1 0 451.611 3.836 20 0 JHADRO C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1=O ZINC001312027047 1069681803 /nfs/dbraw/zinc/68/18/03/1069681803.db2.gz XHEWDANAAWTXBK-FOVJLYNBSA-N 1 0 452.574 3.842 20 0 JHADRO CCOC(=O)c1sc2nc(CN(C)C)nc(NC[C@@H](Cc3ccccc3)[NH+](C)C)c2c1C ZINC001306908577 1069681780 /nfs/dbraw/zinc/68/17/80/1069681780.db2.gz JZENJEFWBCYOJT-GOSISDBHSA-N 1 0 455.628 3.823 20 0 JHADRO CC[C@@H](CNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1)Cc1cccc(Br)c1 ZINC001312030556 1069684263 /nfs/dbraw/zinc/68/42/63/1069684263.db2.gz JOCHOOLGKDZKMV-GOSISDBHSA-N 1 0 453.469 3.733 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC001312055706 1069696058 /nfs/dbraw/zinc/69/60/58/1069696058.db2.gz QQGMINZAJIDCJQ-NRFANRHFSA-N 1 0 451.453 3.977 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2cccc3cccnc32)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001307004579 1069699742 /nfs/dbraw/zinc/69/97/42/1069699742.db2.gz FMRAWJYUSHTFHE-HXUWFJFHSA-N 1 0 463.630 3.672 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCSCC1 ZINC001307004768 1069700324 /nfs/dbraw/zinc/70/03/24/1069700324.db2.gz ISLCNSKSLISWJI-UHFFFAOYSA-N 1 0 455.632 3.659 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCC[NH+]2CCCCC2)cc1OC ZINC001314175801 1069703770 /nfs/dbraw/zinc/70/37/70/1069703770.db2.gz ZDCBSRPLRXRIRR-UHFFFAOYSA-N 1 0 498.672 3.533 20 0 JHADRO C[NH+](C)C1(CNC(=O)NCC(F)(F)c2ccc(Br)cc2)Cc2ccccc2C1 ZINC001312083877 1069712307 /nfs/dbraw/zinc/71/23/07/1069712307.db2.gz WPCJGNLBMHPPRM-UHFFFAOYSA-N 1 0 452.343 3.939 20 0 JHADRO CCC[NH+](CCC)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001307010917 1069710943 /nfs/dbraw/zinc/71/09/43/1069710943.db2.gz ZTPHWEQEKSCNSD-OAQYLSRUSA-N 1 0 478.682 3.741 20 0 JHADRO C[NH+](C)C1(CNC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)Cc2ccccc2C1 ZINC001312082754 1069711749 /nfs/dbraw/zinc/71/17/49/1069711749.db2.gz DRSCAQARTBYFLS-UHFFFAOYSA-N 1 0 452.002 3.848 20 0 JHADRO COc1ccc([C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c2ccccc2Cl)c(C)c1 ZINC001312091705 1069715426 /nfs/dbraw/zinc/71/54/26/1069715426.db2.gz YUAJQKWEXYLBEV-HJOGWXRNSA-N 1 0 458.002 3.987 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001314181222 1069724683 /nfs/dbraw/zinc/72/46/83/1069724683.db2.gz FECZYOXCYGFBRD-NHCUHLMSSA-N 1 0 464.614 3.875 20 0 JHADRO CCCN(CCn1c(-c2ccccc2)nnc1N1CC[NH+](C2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC001307017112 1069725624 /nfs/dbraw/zinc/72/56/24/1069725624.db2.gz WALOONNNUSRECR-UHFFFAOYSA-N 1 0 498.672 3.893 20 0 JHADRO CCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001307017931 1069727186 /nfs/dbraw/zinc/72/71/86/1069727186.db2.gz DGKPYGSLCBVDAK-RDJZCZTQSA-N 1 0 495.491 3.558 20 0 JHADRO CCOc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC001314182866 1069730495 /nfs/dbraw/zinc/73/04/95/1069730495.db2.gz DKLLPKROQVBYED-ZJSXRUAMSA-N 1 0 470.662 3.581 20 0 JHADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC001312119132 1069730933 /nfs/dbraw/zinc/73/09/33/1069730933.db2.gz LOIBKAARJDNPBH-RBUKOAKNSA-N 1 0 451.409 3.682 20 0 JHADRO CCCn1c(-c2c[nH]c3ccccc32)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001307023498 1069731029 /nfs/dbraw/zinc/73/10/29/1069731029.db2.gz UWXLBDUDGWLIBG-UHFFFAOYSA-N 1 0 450.509 3.927 20 0 JHADRO CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001307023969 1069732110 /nfs/dbraw/zinc/73/21/10/1069732110.db2.gz KEVDAMQXPPDVLN-RBBKRZOGSA-N 1 0 484.645 3.707 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(CC)CC)nnc2N2CCOC[C@H](C3CCC3)C2)CC1 ZINC001307029583 1069736879 /nfs/dbraw/zinc/73/68/79/1069736879.db2.gz NLYVNQMGEXBGHH-JOCHJYFZSA-N 1 0 474.694 3.571 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001307033496 1069748151 /nfs/dbraw/zinc/74/81/51/1069748151.db2.gz LYUMSHAZZBBMFR-UHFFFAOYSA-N 1 0 491.478 3.792 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)CC[C@H]2C)C1 ZINC001307032562 1069745583 /nfs/dbraw/zinc/74/55/83/1069745583.db2.gz DRMHMVJNCXQSCA-ZCNNSNEGSA-N 1 0 459.660 3.705 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)cc3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001307032907 1069746221 /nfs/dbraw/zinc/74/62/21/1069746221.db2.gz ZNLWINCTBXJEBV-UHFFFAOYSA-N 1 0 482.673 3.959 20 0 JHADRO Cc1cccc(Oc2cc(CNC(=O)N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)ccn2)c1C ZINC001312146295 1069746993 /nfs/dbraw/zinc/74/69/93/1069746993.db2.gz HEZQQZGAODDZPW-OFNKIYASSA-N 1 0 451.615 3.658 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](COC)O[C@@H](C)C2)CC1 ZINC001307032926 1069746832 /nfs/dbraw/zinc/74/68/32/1069746832.db2.gz GGUGHKZPRPGCNB-PGRDOPGGSA-N 1 0 462.038 3.961 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307035256 1069752955 /nfs/dbraw/zinc/75/29/55/1069752955.db2.gz RAWLJYBITAZMBY-CBQOVEMMSA-N 1 0 483.661 3.730 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC=C(C)CC2)C1 ZINC001307034659 1069751191 /nfs/dbraw/zinc/75/11/91/1069751191.db2.gz IFSDJJWXRAGRQZ-HXUWFJFHSA-N 1 0 457.022 3.750 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307035257 1069752976 /nfs/dbraw/zinc/75/29/76/1069752976.db2.gz RAWLJYBITAZMBY-KAGYGMCKSA-N 1 0 483.661 3.730 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001307033851 1069748823 /nfs/dbraw/zinc/74/88/23/1069748823.db2.gz MYWVYSNKEPXFLQ-UXHICEINSA-N 1 0 457.619 3.557 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001307035259 1069752749 /nfs/dbraw/zinc/75/27/49/1069752749.db2.gz RAWLJYBITAZMBY-VCOUNFBDSA-N 1 0 483.661 3.730 20 0 JHADRO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1nc(-c2cccc(F)c2)no1 ZINC001312154297 1069753410 /nfs/dbraw/zinc/75/34/10/1069753410.db2.gz WSHRAOAYKMHMQX-DYESRHJHSA-N 1 0 453.518 3.527 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@](C)(O)C2CC2)cc1 ZINC001314192017 1069754615 /nfs/dbraw/zinc/75/46/15/1069754615.db2.gz RQWUGKJVLWLAAM-BJZAYRLRSA-N 1 0 471.646 3.897 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001307037438 1069758190 /nfs/dbraw/zinc/75/81/90/1069758190.db2.gz UOWWQZYXUHEFKN-JOCHJYFZSA-N 1 0 496.656 3.659 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C)CC3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001314192402 1069756704 /nfs/dbraw/zinc/75/67/04/1069756704.db2.gz GIJGTAIILLQMQE-OAQYLSRUSA-N 1 0 471.646 3.900 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001307036419 1069756873 /nfs/dbraw/zinc/75/68/73/1069756873.db2.gz YOQCABMXTKRETG-QHCPKHFHSA-N 1 0 487.714 3.988 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCc3c(F)cc(F)cc3C2)C1 ZINC001307036775 1069756963 /nfs/dbraw/zinc/75/69/63/1069756963.db2.gz YJVOSIXLKCJJIJ-QZTJIDSGSA-N 1 0 463.573 3.575 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)C)nnc2N2CCCN(C(=O)CC3CCCC3)CC2)C1 ZINC001307039316 1069763434 /nfs/dbraw/zinc/76/34/34/1069763434.db2.gz UTOBPBUZIKEYOY-HSZRJFAPSA-N 1 0 458.695 3.828 20 0 JHADRO C[NH+](C)[C@]1(CNC(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)CCSC1 ZINC001312166904 1069761172 /nfs/dbraw/zinc/76/11/72/1069761172.db2.gz JWTPAMZXMKWOIO-QHCPKHFHSA-N 1 0 450.649 3.550 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001307039189 1069763789 /nfs/dbraw/zinc/76/37/89/1069763789.db2.gz SFCHODHMOSYEMZ-NSHGMRRFSA-N 1 0 482.094 3.512 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OCC)c(OC)c3)nnc2N2CCCOCC2)CC1 ZINC001307038716 1069762290 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/nfs/dbraw/zinc/77/45/95/1069774595.db2.gz HLDJMDZZLCKWEA-JTHBVZDNSA-N 1 0 455.647 3.883 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC3CC3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC001307042522 1069772291 /nfs/dbraw/zinc/77/22/91/1069772291.db2.gz SMOQUFBMHKOHNM-UHFFFAOYSA-N 1 0 460.667 3.657 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC=C(C)CC2)CC1 ZINC001307042709 1069772753 /nfs/dbraw/zinc/77/27/53/1069772753.db2.gz GBJUUKXIONJUBK-QFIPXVFZSA-N 1 0 488.677 3.865 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001307043686 1069775254 /nfs/dbraw/zinc/77/52/54/1069775254.db2.gz LZSPLILOUMBYLS-VXKWHMMOSA-N 1 0 490.693 3.788 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[NH+]2CCCCCC2)cc1 ZINC001314196864 1069776730 /nfs/dbraw/zinc/77/67/30/1069776730.db2.gz CNJPWHNKVXMPMP-LGVFNWMJSA-N 1 0 471.646 3.900 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1COC2(CCCCCC2)O1 ZINC001312202298 1069778102 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/nfs/dbraw/zinc/78/09/89/1069780989.db2.gz LZGJZZKCPFZCKO-APWZRJJASA-N 1 0 495.455 3.611 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)NC(C)C)CC1 ZINC001307045229 1069781626 /nfs/dbraw/zinc/78/16/26/1069781626.db2.gz DOURCGFTNMWBCD-SFHVURJKSA-N 1 0 472.703 3.967 20 0 JHADRO CCCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[N@H+](CCC)C1 ZINC001307045395 1069782340 /nfs/dbraw/zinc/78/23/40/1069782340.db2.gz WHQPVZNDOBJDJQ-YADHBBJMSA-N 1 0 490.693 3.945 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001307046497 1069785353 /nfs/dbraw/zinc/78/53/53/1069785353.db2.gz LNUCUVFYTSTFKY-WMTXJRDZSA-N 1 0 488.721 3.623 20 0 JHADRO CC[C@@H](NC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001312219612 1069790574 /nfs/dbraw/zinc/79/05/74/1069790574.db2.gz XUIAORSIIKRWOP-VROINQGHSA-N 1 0 472.630 3.506 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCc2cn[nH]c2)cc1 ZINC001314199853 1069789510 /nfs/dbraw/zinc/78/95/10/1069789510.db2.gz RGQYCYSNHWBCSV-IBGZPJMESA-N 1 0 467.618 3.703 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001307047815 1069791427 /nfs/dbraw/zinc/79/14/27/1069791427.db2.gz ANUFRIJABLGVQM-QHCPKHFHSA-N 1 0 497.688 3.974 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001314200414 1069792088 /nfs/dbraw/zinc/79/20/88/1069792088.db2.gz RTKITPSXKIEJQR-VIZSFHNOSA-N 1 0 498.672 3.604 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCC(=O)N2CCCCC2)cc1 ZINC001314200444 1069792102 /nfs/dbraw/zinc/79/21/02/1069792102.db2.gz SICNBSOAGSSAHE-QFIPXVFZSA-N 1 0 498.672 3.750 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3c(F)cccc3F)n2CCCN2CCCCC2=O)CC1 ZINC001307048087 1069792605 /nfs/dbraw/zinc/79/26/05/1069792605.db2.gz MQUOPGGXAXQBLR-UHFFFAOYSA-N 1 0 488.627 3.860 20 0 JHADRO O=C(NCCc1nc2cc(Cl)ccc2s1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001312226682 1069793153 /nfs/dbraw/zinc/79/31/53/1069793153.db2.gz LJDCMACWKIDHKH-PKOBYXMFSA-N 1 0 459.015 3.674 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C)on2)CC1 ZINC001307048265 1069793389 /nfs/dbraw/zinc/79/33/89/1069793389.db2.gz BVKZEYLBWGMUGZ-UHFFFAOYSA-N 1 0 462.396 3.691 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCCO)CC1 ZINC001307050263 1069799450 /nfs/dbraw/zinc/79/94/50/1069799450.db2.gz BWMZNQHHERCQOB-NRFANRHFSA-N 1 0 478.682 3.823 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(C)(C)C)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001307049201 1069796769 /nfs/dbraw/zinc/79/67/69/1069796769.db2.gz JIIDMQNCBMHSEV-UHFFFAOYSA-N 1 0 468.572 3.807 20 0 JHADRO CO[C@H](CNC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1Cl ZINC001312237917 1069799939 /nfs/dbraw/zinc/79/99/39/1069799939.db2.gz ZAYGHXYVHZWBBN-HSZRJFAPSA-N 1 0 451.055 3.865 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccs2)CC1 ZINC001307050403 1069800497 /nfs/dbraw/zinc/80/04/97/1069800497.db2.gz RKFVPFYQPJYWFG-XMMPIXPASA-N 1 0 461.676 3.934 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2Cl)CC1 ZINC001307050486 1069801148 /nfs/dbraw/zinc/80/11/48/1069801148.db2.gz XTHDWAOQFQHSKL-UHFFFAOYSA-N 1 0 477.028 3.860 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCOc2ccccc2Cl)CC1 ZINC001307050872 1069801654 /nfs/dbraw/zinc/80/16/54/1069801654.db2.gz AOHNLXXPVXOATF-UHFFFAOYSA-N 1 0 458.010 3.722 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc[nH]3)n2Cc2cccnc2OCC(F)(F)F)CC1 ZINC001307050870 1069801862 /nfs/dbraw/zinc/80/18/62/1069801862.db2.gz AOBOMBCNXCTANY-UHFFFAOYSA-N 1 0 477.535 3.968 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(Cl)c2)CC1 ZINC001307051116 1069803067 /nfs/dbraw/zinc/80/30/67/1069803067.db2.gz XLJVAJJCFKVWDO-DEOSSOPVSA-N 1 0 462.038 3.943 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(OC)cc3)n2CC2CCOCC2)CC1 ZINC001307051208 1069803399 /nfs/dbraw/zinc/80/33/99/1069803399.db2.gz LCQCACXCOGFRGB-UHFFFAOYSA-N 1 0 457.619 3.603 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nncn2CC)CC1 ZINC001307051323 1069803541 /nfs/dbraw/zinc/80/35/41/1069803541.db2.gz ZYCHVJUOQMIBHJ-UHFFFAOYSA-N 1 0 474.560 3.517 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccccc3F)n2CCC(=O)NC(C)(C)C)CC1 ZINC001307051703 1069805057 /nfs/dbraw/zinc/80/50/57/1069805057.db2.gz SNSJHBJTVHEJQL-UHFFFAOYSA-N 1 0 474.625 3.612 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2Cc2cccc(CSC)c2)CC1 ZINC001307051725 1069805182 /nfs/dbraw/zinc/80/51/82/1069805182.db2.gz KWQSZPRDYXRWDY-UHFFFAOYSA-N 1 0 451.644 3.957 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001307052921 1069809773 /nfs/dbraw/zinc/80/97/73/1069809773.db2.gz ABIWTPMWYYRRFL-TZIWHRDSSA-N 1 0 485.629 3.616 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1F ZINC001307053036 1069811190 /nfs/dbraw/zinc/81/11/90/1069811190.db2.gz FRMGDHOKIRICBQ-FQEVSTJZSA-N 1 0 465.577 3.965 20 0 JHADRO COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001312253751 1069811882 /nfs/dbraw/zinc/81/18/82/1069811882.db2.gz LYJLKGKPCNCHBB-KSEOMHKRSA-N 1 0 450.583 3.718 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001307053677 1069813164 /nfs/dbraw/zinc/81/31/64/1069813164.db2.gz JHTZGOICQVXDIX-OAQYLSRUSA-N 1 0 492.672 3.951 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2Cc2cc(OC)ccc2OC)CC1 ZINC001307054131 1069814279 /nfs/dbraw/zinc/81/42/79/1069814279.db2.gz CYWSCQYTPZPPPI-QHCPKHFHSA-N 1 0 457.619 3.896 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001307054319 1069816328 /nfs/dbraw/zinc/81/63/28/1069816328.db2.gz IALGXDVIKNKMOC-TZIWHRDSSA-N 1 0 459.038 3.825 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 ZINC001307055805 1069822225 /nfs/dbraw/zinc/82/22/25/1069822225.db2.gz AJJXUMHJLJHZJK-HSZRJFAPSA-N 1 0 454.663 3.826 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001307055067 1069819662 /nfs/dbraw/zinc/81/96/62/1069819662.db2.gz ONHBWAPDPUWPJG-YTFSRNRJSA-N 1 0 482.673 3.966 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001307055209 1069820186 /nfs/dbraw/zinc/82/01/86/1069820186.db2.gz NLFJJVQYYMVFMJ-XLIONFOSSA-N 1 0 489.462 3.639 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CC(N)=O ZINC001307055118 1069820641 /nfs/dbraw/zinc/82/06/41/1069820641.db2.gz OSGNEGYFFGRVPP-VQIMIIECSA-N 1 0 477.451 3.672 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001307055979 1069824373 /nfs/dbraw/zinc/82/43/73/1069824373.db2.gz RZGQONOJWNCMEO-VXKWHMMOSA-N 1 0 498.672 3.531 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC001307056624 1069828796 /nfs/dbraw/zinc/82/87/96/1069828796.db2.gz VDRUTQMAKRHPFV-QFIPXVFZSA-N 1 0 486.636 3.533 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001307056533 1069827766 /nfs/dbraw/zinc/82/77/66/1069827766.db2.gz AUAZOCHTMVAHSP-DEOSSOPVSA-N 1 0 497.688 3.833 20 0 JHADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC001312271573 1069827977 /nfs/dbraw/zinc/82/79/77/1069827977.db2.gz XUBZNVJPLQVOMO-HXUWFJFHSA-N 1 0 457.644 3.520 20 0 JHADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC001312274024 1069829094 /nfs/dbraw/zinc/82/90/94/1069829094.db2.gz CRXASEBXZWOIFK-CABCVRRESA-N 1 0 450.381 3.837 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001307057234 1069833295 /nfs/dbraw/zinc/83/32/95/1069833295.db2.gz XBSMWUZMYSIPFE-FCGDIQPGSA-N 1 0 461.573 3.901 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001307057053 1069832279 /nfs/dbraw/zinc/83/22/79/1069832279.db2.gz VCSXQRMMERAZCE-VXKWHMMOSA-N 1 0 473.687 3.922 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCSC(C)(C)C1 ZINC001307057391 1069834099 /nfs/dbraw/zinc/83/40/99/1069834099.db2.gz FEVJNVJUCUVXNF-GOSISDBHSA-N 1 0 476.716 3.866 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](COC)C1 ZINC001307058253 1069837751 /nfs/dbraw/zinc/83/77/51/1069837751.db2.gz ZBEZTOYORQXZER-CTNGQTDRSA-N 1 0 457.619 3.700 20 0 JHADRO COc1ccccc1N1CC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)C1 ZINC001312280731 1069834456 /nfs/dbraw/zinc/83/44/56/1069834456.db2.gz WBMIPCALVRXFPO-RTBURBONSA-N 1 0 450.505 3.895 20 0 JHADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)NC1(Cc2ccccc2Br)CC1 ZINC001312283998 1069837895 /nfs/dbraw/zinc/83/78/95/1069837895.db2.gz DTQSXVUKFRRQFH-PMACEKPBSA-N 1 0 450.421 3.591 20 0 JHADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC(c2cccc(Br)c2)CC1 ZINC001312281623 1069835388 /nfs/dbraw/zinc/83/53/88/1069835388.db2.gz WYKROXRDFPOJJY-RTWAWAEBSA-N 1 0 450.421 3.716 20 0 JHADRO C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)c1noc(-c2ccccc2)n1 ZINC001312283613 1069836593 /nfs/dbraw/zinc/83/65/93/1069836593.db2.gz HKYPIFSWJXYOMF-NYVOZVTQSA-N 1 0 454.619 3.776 20 0 JHADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001312283367 1069836958 /nfs/dbraw/zinc/83/69/58/1069836958.db2.gz BBLMDWVGXMEGJX-UWGQAIRJSA-N 1 0 450.421 3.714 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)OC ZINC001307058001 1069837007 /nfs/dbraw/zinc/83/70/07/1069837007.db2.gz KXWVGYAUHXDRGM-RBUKOAKNSA-N 1 0 450.628 3.655 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001307058139 1069837069 /nfs/dbraw/zinc/83/70/69/1069837069.db2.gz ITWDLKUTEFQOLZ-JOCHJYFZSA-N 1 0 458.695 3.970 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(CC)C(=O)C1 ZINC001307058593 1069840047 /nfs/dbraw/zinc/84/00/47/1069840047.db2.gz OAMPCLBGLFDVCT-QFIPXVFZSA-N 1 0 473.065 3.845 20 0 JHADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)NC1(c2ccccc2Br)CCC1 ZINC001312289527 1069840686 /nfs/dbraw/zinc/84/06/86/1069840686.db2.gz VPFDJQRRMMNWDP-UXHICEINSA-N 1 0 450.421 3.895 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001307058518 1069839311 /nfs/dbraw/zinc/83/93/11/1069839311.db2.gz NYLCIQOFGJPASY-NRFANRHFSA-N 1 0 454.667 3.556 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001307059461 1069844267 /nfs/dbraw/zinc/84/42/67/1069844267.db2.gz WYHFJJDYDJZANU-SQJMNOBHSA-N 1 0 457.667 3.617 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001307059307 1069844893 /nfs/dbraw/zinc/84/48/93/1069844893.db2.gz RNQOKXSZPQOTBR-WOJBJXKFSA-N 1 0 484.611 3.780 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001307059845 1069846557 /nfs/dbraw/zinc/84/65/57/1069846557.db2.gz WKWOLUOMHGSJSH-GOTSBHOMSA-N 1 0 482.673 3.830 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001307061381 1069852094 /nfs/dbraw/zinc/85/20/94/1069852094.db2.gz GHRGKTXEMUAZMT-QFIPXVFZSA-N 1 0 461.614 3.648 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)CC1=O ZINC001307060427 1069849316 /nfs/dbraw/zinc/84/93/16/1069849316.db2.gz JHENAIDKOWWTET-CTNGQTDRSA-N 1 0 498.603 3.902 20 0 JHADRO CC(=O)N1CC[C@H](NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c2ccccc21 ZINC001312305258 1069849404 /nfs/dbraw/zinc/84/94/04/1069849404.db2.gz OXWNPODKVVCUCH-CVDCTZTESA-N 1 0 450.583 3.684 20 0 JHADRO CCOc1ccccc1OCc1nnc(N(C)Cc2cnccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314216608 1069849627 /nfs/dbraw/zinc/84/96/27/1069849627.db2.gz SVJQHYOLYKTHEI-QHCPKHFHSA-N 1 0 479.629 3.803 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001307063231 1069861328 /nfs/dbraw/zinc/86/13/28/1069861328.db2.gz OBDITBBKAUUPLA-MOPGFXCFSA-N 1 0 472.659 3.560 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC)c(OC)c1 ZINC001307063176 1069861913 /nfs/dbraw/zinc/86/19/13/1069861913.db2.gz NCRGBKVQQJWWEA-HXUWFJFHSA-N 1 0 465.602 3.653 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1=O ZINC001307063798 1069863914 /nfs/dbraw/zinc/86/39/14/1069863914.db2.gz DVXWCYSACFULIP-HSZRJFAPSA-N 1 0 498.672 3.531 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCCCO1 ZINC001314220168 1069865737 /nfs/dbraw/zinc/86/57/37/1069865737.db2.gz HUPWAQKTZYJHLW-NRFANRHFSA-N 1 0 457.619 3.792 20 0 JHADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC001312337572 1069871981 /nfs/dbraw/zinc/87/19/81/1069871981.db2.gz TUACLOIZJBQBPA-RTBURBONSA-N 1 0 451.571 3.966 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001307065534 1069871067 /nfs/dbraw/zinc/87/10/67/1069871067.db2.gz FVDVNELIAQJLIP-QIYVGXHKSA-N 1 0 459.660 3.768 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H](C)OC ZINC001314221523 1069872233 /nfs/dbraw/zinc/87/22/33/1069872233.db2.gz ZUCOLVYXJGEOJQ-HXUWFJFHSA-N 1 0 457.619 3.745 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1=O ZINC001307066433 1069875245 /nfs/dbraw/zinc/87/52/45/1069875245.db2.gz OKLONUFSWUVMRT-JOCHJYFZSA-N 1 0 452.647 3.823 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccccc3Cl)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1=O ZINC001307066455 1069875419 /nfs/dbraw/zinc/87/54/19/1069875419.db2.gz OSMOZYUEZPQVIB-FQEVSTJZSA-N 1 0 489.064 3.548 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314222160 1069875680 /nfs/dbraw/zinc/87/56/80/1069875680.db2.gz HOBPRWJOHOEKGY-PWRODBHTSA-N 1 0 457.619 3.601 20 0 JHADRO CCCN1CCCN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1=O ZINC001307067826 1069878866 /nfs/dbraw/zinc/87/88/66/1069878866.db2.gz KAVFDJJFGJSCTF-QFIPXVFZSA-N 1 0 467.662 3.752 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H](CC)OC ZINC001314224234 1069883940 /nfs/dbraw/zinc/88/39/40/1069883940.db2.gz NWKQTUIMOQUORL-FQEVSTJZSA-N 1 0 459.635 3.991 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1OCCC1(C)C ZINC001314224838 1069887677 /nfs/dbraw/zinc/88/76/77/1069887677.db2.gz HNHXUXOMBCVWCG-QHCPKHFHSA-N 1 0 471.646 3.849 20 0 JHADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)c1ncnc(C(F)(F)F)c1Br ZINC001307115674 1069894556 /nfs/dbraw/zinc/89/45/56/1069894556.db2.gz BJNMMRSDSBZHOK-UHFFFAOYSA-N 1 0 458.326 3.512 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCCO[C@H](C)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314227189 1069899033 /nfs/dbraw/zinc/89/90/33/1069899033.db2.gz KHPGILCJKSQOOG-UXHICEINSA-N 1 0 469.586 3.767 20 0 JHADRO C[N@@H+]1CC[C@H](CNC(=O)N2CCn3cnc(C(F)(F)F)c3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312410636 1069916165 /nfs/dbraw/zinc/91/61/65/1069916165.db2.gz CAOXCEPCYVCJMS-CXAGYDPISA-N 1 0 459.875 3.913 20 0 JHADRO C[N@@H+]1CC[C@@H](CNC(=O)N2CCn3c(cnc3C(F)(F)F)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312414019 1069919268 /nfs/dbraw/zinc/91/92/68/1069919268.db2.gz INYYVPZINPJDJK-SUMWQHHRSA-N 1 0 459.875 3.913 20 0 JHADRO CC(C)CC(=O)N1CCCN(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001312416304 1069921418 /nfs/dbraw/zinc/92/14/18/1069921418.db2.gz WCHPHAWTYVIGMZ-XMSQKQJNSA-N 1 0 453.002 3.762 20 0 JHADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC001312429267 1069931921 /nfs/dbraw/zinc/93/19/21/1069931921.db2.gz XZMVBWJOZGHNRA-UHFFFAOYSA-N 1 0 450.052 3.721 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001312444399 1069941329 /nfs/dbraw/zinc/94/13/29/1069941329.db2.gz STSBTTSPDHYBHL-CDMIOBSGSA-N 1 0 458.965 3.652 20 0 JHADRO CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC001312454165 1069947576 /nfs/dbraw/zinc/94/75/76/1069947576.db2.gz KQBHBTOAAIZBQI-APWZRJJASA-N 1 0 453.425 3.673 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1(C)C ZINC001314242617 1069948856 /nfs/dbraw/zinc/94/88/56/1069948856.db2.gz HZUHXQYUOVTDOZ-NKKJXINNSA-N 1 0 484.689 3.620 20 0 JHADRO COC(=O)[C@H](Cc1ccc(C)cc1)SCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001307337395 1069954231 /nfs/dbraw/zinc/95/42/31/1069954231.db2.gz UXWNQRRKYWRHPB-DEOSSOPVSA-N 1 0 454.636 3.902 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(C)o3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC001314246629 1069963485 /nfs/dbraw/zinc/96/34/85/1069963485.db2.gz VMIMYVKKIUZGOF-LEWJYISDSA-N 1 0 458.651 3.512 20 0 JHADRO CCO[C@H]1C[C@@H](N(C)c2nnc(-c3ccc(C)o3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC001314246633 1069963818 /nfs/dbraw/zinc/96/38/18/1069963818.db2.gz VMIMYVKKIUZGOF-RTWAWAEBSA-N 1 0 458.651 3.512 20 0 JHADRO O=C(CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001307376444 1069965460 /nfs/dbraw/zinc/96/54/60/1069965460.db2.gz NDHZCNHJFGLLGI-QZTJIDSGSA-N 1 0 451.489 3.511 20 0 JHADRO C[C@H](NC(=O)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001312479418 1069961342 /nfs/dbraw/zinc/96/13/42/1069961342.db2.gz KCXPBMQXJJIGLW-NNWRFLSQSA-N 1 0 458.622 3.907 20 0 JHADRO COc1cccc(N2CC[NH+](CCSCC(=O)Nc3ccccc3OC(F)F)CC2)c1 ZINC001307396578 1069968721 /nfs/dbraw/zinc/96/87/21/1069968721.db2.gz SDDXPNJVZGTLDP-UHFFFAOYSA-N 1 0 451.539 3.791 20 0 JHADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CC1 ZINC001307414151 1069972345 /nfs/dbraw/zinc/97/23/45/1069972345.db2.gz DJFKDSKAUHXOAY-NRFANRHFSA-N 1 0 452.542 3.868 20 0 JHADRO CC[NH+](CC)CC1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC001307416635 1069974309 /nfs/dbraw/zinc/97/43/09/1069974309.db2.gz KUFNBPFBMMKULE-UHFFFAOYSA-N 1 0 456.553 3.534 20 0 JHADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001312499867 1069975923 /nfs/dbraw/zinc/97/59/23/1069975923.db2.gz KZPSJCRBQNBZCD-BHIFYINESA-N 1 0 458.400 3.895 20 0 JHADRO C[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001307424510 1069977634 /nfs/dbraw/zinc/97/76/34/1069977634.db2.gz NMTDQYCZGCIYED-GGAORHGYSA-N 1 0 459.631 3.631 20 0 JHADRO CC1([NH+]2CCCC2)CCC(NC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC001312517435 1069985027 /nfs/dbraw/zinc/98/50/27/1069985027.db2.gz MSOZFXPHIFZBCW-ASNBIDDJSA-N 1 0 452.521 3.907 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1(C)C ZINC001314256718 1069992939 /nfs/dbraw/zinc/99/29/39/1069992939.db2.gz LTCWKDDASKDGHJ-FDFHNCONSA-N 1 0 469.609 3.760 20 0 JHADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC001307450163 1069990199 /nfs/dbraw/zinc/99/01/99/1069990199.db2.gz GHGDBIXCJLNLMR-LLGFUMIMSA-N 1 0 458.872 3.800 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1(C)C ZINC001314255989 1069990618 /nfs/dbraw/zinc/99/06/18/1069990618.db2.gz JRMHCMWLFHHYOL-YPAWHYETSA-N 1 0 467.593 3.817 20 0 JHADRO Cc1nc2sccn2c(=O)c1CC[N@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC001307457621 1069996303 /nfs/dbraw/zinc/99/63/03/1069996303.db2.gz AMAZESSLDWGDNR-FQEVSTJZSA-N 1 0 451.592 3.910 20 0 JHADRO CCO[C@@H]1C[C@@H](NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]1Oc1ccccc1 ZINC001312540347 1070002258 /nfs/dbraw/zinc/00/22/58/1070002258.db2.gz UXBJMAYFHGGEKS-QCRWKMLFSA-N 1 0 455.521 3.716 20 0 JHADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCCc2ccccc2Br)CC1 ZINC001307477388 1070007427 /nfs/dbraw/zinc/00/74/27/1070007427.db2.gz LGHWPVNEQHXUQD-UHFFFAOYSA-N 1 0 457.356 3.670 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+](C)[C@H](C)CC)C1 ZINC001314263638 1070008317 /nfs/dbraw/zinc/00/83/17/1070008317.db2.gz BPVXGZZLGJEVBO-SJLPKXTDSA-N 1 0 467.456 3.782 20 0 JHADRO CC1CCN(Cc2csc(NC(=O)CN3CCC[N@H+](Cc4ccccc4)C[C@@H]3C)n2)CC1 ZINC001307482161 1070009597 /nfs/dbraw/zinc/00/95/97/1070009597.db2.gz NGTRHKJBUHKDBQ-NRFANRHFSA-N 1 0 455.672 3.910 20 0 JHADRO Cc1cccc(C)c1OC[C@@H](O)CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001312553509 1070009653 /nfs/dbraw/zinc/00/96/53/1070009653.db2.gz SLXPATSNBZNEOK-VQTJNVASSA-N 1 0 453.505 3.664 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314265230 1070012105 /nfs/dbraw/zinc/01/21/05/1070012105.db2.gz KMXDTERJEDZJLG-UXGLMHHASA-N 1 0 477.694 3.692 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)C1CC1 ZINC001312559830 1070014391 /nfs/dbraw/zinc/01/43/91/1070014391.db2.gz QWAYBRDXXODRDG-HSZRJFAPSA-N 1 0 455.002 3.604 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001314265842 1070014537 /nfs/dbraw/zinc/01/45/37/1070014537.db2.gz LJQRRFHRMONHSD-DNQXCXABSA-N 1 0 482.673 3.724 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001314265895 1070014668 /nfs/dbraw/zinc/01/46/68/1070014668.db2.gz POYCTUKZCHSRNS-WMLDXEAASA-N 1 0 451.413 3.524 20 0 JHADRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)C12CCCCC2 ZINC001307503352 1070020921 /nfs/dbraw/zinc/02/09/21/1070020921.db2.gz MTAXRYVVZQETLH-FGZHOGPDSA-N 1 0 457.663 3.617 20 0 JHADRO CC[NH+](CC)CC[C@H](NC(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccc1 ZINC001312572702 1070021833 /nfs/dbraw/zinc/02/18/33/1070021833.db2.gz FXYKRLDIGBDSQE-RPBOFIJWSA-N 1 0 450.627 3.993 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001314269047 1070021992 /nfs/dbraw/zinc/02/19/92/1070021992.db2.gz OENZLTZYMRKDIN-QFIPXVFZSA-N 1 0 453.587 3.841 20 0 JHADRO O=C(C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001307499866 1070019483 /nfs/dbraw/zinc/01/94/83/1070019483.db2.gz KIUBGWVOKJLMJR-GOSISDBHSA-N 1 0 459.472 3.763 20 0 JHADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001312573460 1070022502 /nfs/dbraw/zinc/02/25/02/1070022502.db2.gz JDWFADCWISNZCQ-HSZRJFAPSA-N 1 0 452.574 3.594 20 0 JHADRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC001307506394 1070023452 /nfs/dbraw/zinc/02/34/52/1070023452.db2.gz MVLNOHXVRVZTEN-OAQYLSRUSA-N 1 0 451.633 3.709 20 0 JHADRO O=C(C[N@@H+](CCCO)[C@@H]1CCc2ccccc21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001307508083 1070024723 /nfs/dbraw/zinc/02/47/23/1070024723.db2.gz QUIGFVCCEDAUFA-HXUWFJFHSA-N 1 0 459.472 3.597 20 0 JHADRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1NS(C)(=O)=O ZINC001312577784 1070025102 /nfs/dbraw/zinc/02/51/02/1070025102.db2.gz YHCXLLPPGCWSRX-XMSQKQJNSA-N 1 0 458.628 3.719 20 0 JHADRO O=C(CCc1ccccc1)N1CCC[N@@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC001307520190 1070032066 /nfs/dbraw/zinc/03/20/66/1070032066.db2.gz MBMYTOBISSCCER-HXUWFJFHSA-N 1 0 450.501 3.612 20 0 JHADRO CCOc1ccc2nc(NC(=O)CN(C)C3CC[NH+](CCc4ccccn4)CC3)sc2c1 ZINC001307516969 1070029651 /nfs/dbraw/zinc/02/96/51/1070029651.db2.gz NORAUJAVFQTERK-UHFFFAOYSA-N 1 0 453.612 3.667 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001314277440 1070037867 /nfs/dbraw/zinc/03/78/67/1070037867.db2.gz TZPYZGPOIMUVOO-FDFHNCONSA-N 1 0 490.693 3.882 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)C(C)C)C1 ZINC001314280531 1070043998 /nfs/dbraw/zinc/04/39/98/1070043998.db2.gz AZTVSAUEFCYPJB-UXHICEINSA-N 1 0 464.655 3.696 20 0 JHADRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1(CC)CC ZINC001307550655 1070047757 /nfs/dbraw/zinc/04/77/57/1070047757.db2.gz HXNDYJWPONFFDW-RBUKOAKNSA-N 1 0 457.446 3.953 20 0 JHADRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)NCCCOc1ccccc1F ZINC001307551144 1070048168 /nfs/dbraw/zinc/04/81/68/1070048168.db2.gz DRVLTFOLDWXQFT-KOSHJBKYSA-N 1 0 451.583 3.774 20 0 JHADRO CC(=O)N1CCC[C@@H](CNC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001312626787 1070050250 /nfs/dbraw/zinc/05/02/50/1070050250.db2.gz QCUBGEGSJAFHLA-IBGZPJMESA-N 1 0 455.430 3.859 20 0 JHADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001312628313 1070051402 /nfs/dbraw/zinc/05/14/02/1070051402.db2.gz DKAPUKNBUOHFGD-HNAYVOBHSA-N 1 0 455.384 3.928 20 0 JHADRO CC(C)(C)OC(=O)N1CC=C(CCNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001312631288 1070053885 /nfs/dbraw/zinc/05/38/85/1070053885.db2.gz FXVXNTKJTBFTQX-UHFFFAOYSA-N 1 0 457.619 3.550 20 0 JHADRO CCOCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001314284511 1070055362 /nfs/dbraw/zinc/05/53/62/1070055362.db2.gz BMJSHHPFNJOHJF-FQEVSTJZSA-N 1 0 459.610 3.696 20 0 JHADRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001312634711 1070055741 /nfs/dbraw/zinc/05/57/41/1070055741.db2.gz NZCBKSZDJIKJDO-DUXKGJEZSA-N 1 0 450.599 3.948 20 0 JHADRO CC(=O)N(c1nc(CN2CC[NH+](C(C)(C)CO)CC2)cs1)c1cccc(C(F)(F)F)c1 ZINC001307569646 1070056542 /nfs/dbraw/zinc/05/65/42/1070056542.db2.gz VOPVWNJOXXDMJU-UHFFFAOYSA-N 1 0 456.534 3.735 20 0 JHADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cc(C(=O)OC)ccc2C)[C@@H]2CCCC[C@H]12 ZINC001307576645 1070061061 /nfs/dbraw/zinc/06/10/61/1070061061.db2.gz MRADGZOHLWOHRW-HUTZZIEHSA-N 1 0 457.615 3.904 20 0 JHADRO Cc1ccc2nc(C[NH+]3CCC(C(=O)Nc4ccc(Br)cc4)CC3)cc(=O)n2c1 ZINC001307576436 1070061529 /nfs/dbraw/zinc/06/15/29/1070061529.db2.gz KPMNFVULZINUHY-UHFFFAOYSA-N 1 0 455.356 3.616 20 0 JHADRO CCN(CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)CC(F)(F)F ZINC001307572266 1070058147 /nfs/dbraw/zinc/05/81/47/1070058147.db2.gz VKRPCSQPGSXFAP-CQSZACIVSA-N 1 0 451.331 3.769 20 0 JHADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC001307584482 1070063921 /nfs/dbraw/zinc/06/39/21/1070063921.db2.gz SPWRRQKXAVDZSI-RJHNZLOYSA-N 1 0 453.608 3.570 20 0 JHADRO CCOCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001314288818 1070066947 /nfs/dbraw/zinc/06/69/47/1070066947.db2.gz ZRCNCAKFGKAMBO-UHFFFAOYSA-N 1 0 474.694 3.556 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC001307585246 1070064395 /nfs/dbraw/zinc/06/43/95/1070064395.db2.gz KFEZWBLNOJCODT-NFBKMPQASA-N 1 0 452.599 3.963 20 0 JHADRO CN(CCC1CC[NH+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1)C(=O)OC(C)(C)C ZINC001307585145 1070064576 /nfs/dbraw/zinc/06/45/76/1070064576.db2.gz IXPFTSWDNDYFGD-DEOSSOPVSA-N 1 0 455.640 3.717 20 0 JHADRO C[NH+](C)CCCC1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC001307589879 1070068721 /nfs/dbraw/zinc/06/87/21/1070068721.db2.gz PYCTVFRQUZVQRW-UHFFFAOYSA-N 1 0 456.553 3.534 20 0 JHADRO C[C@H](NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC001312661584 1070069103 /nfs/dbraw/zinc/06/91/03/1070069103.db2.gz RZMPENMGCGLEHN-UHOSZYNNSA-N 1 0 454.562 3.869 20 0 JHADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C)[NH+](C)C ZINC001312659535 1070067682 /nfs/dbraw/zinc/06/76/82/1070067682.db2.gz KBLIERKHZHIWTC-IWFBPKFRSA-N 1 0 450.599 3.975 20 0 JHADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCC(CO)(Cc4ccccc4)CC3)cc2)CC1 ZINC001312670477 1070072411 /nfs/dbraw/zinc/07/24/11/1070072411.db2.gz HKXBMFOVEUMBTQ-UHFFFAOYSA-N 1 0 451.611 3.686 20 0 JHADRO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001307599461 1070073726 /nfs/dbraw/zinc/07/37/26/1070073726.db2.gz MKDVYPDYOHGOET-KRWDZBQOSA-N 1 0 453.002 3.510 20 0 JHADRO CCOCc1nnc(N(C)[C@@H](C)c2sc(CC)nc2C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001314293174 1070074648 /nfs/dbraw/zinc/07/46/48/1070074648.db2.gz PMYWEMSQSPQOEQ-SFHVURJKSA-N 1 0 464.680 3.575 20 0 JHADRO Cc1ccc(NC(=O)C[NH2+][C@]2(C)CCCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC001307607600 1070079246 /nfs/dbraw/zinc/07/92/46/1070079246.db2.gz KWLCBERXAZWPOY-RUZDIDTESA-N 1 0 455.624 3.949 20 0 JHADRO CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2C)C1 ZINC001307602456 1070076254 /nfs/dbraw/zinc/07/62/54/1070076254.db2.gz KFCRJDAQCLOXHF-HNNXBMFYSA-N 1 0 458.340 3.593 20 0 JHADRO CCOCc1nnc(N(C)c2cc(OC)cc(OC)c2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001314296467 1070079918 /nfs/dbraw/zinc/07/99/18/1070079918.db2.gz HRDPWAQKUITAOO-UHFFFAOYSA-N 1 0 475.659 3.961 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1)C1CCCCC1 ZINC001307614109 1070082476 /nfs/dbraw/zinc/08/24/76/1070082476.db2.gz BXNQSIUVFYSJPO-JOCHJYFZSA-N 1 0 455.603 3.552 20 0 JHADRO CCOCc1nnc(N(C)Cc2cc3ccccc3[nH]2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314301325 1070085340 /nfs/dbraw/zinc/08/53/40/1070085340.db2.gz SLEHQXZPHVRZQK-RTBURBONSA-N 1 0 454.619 3.820 20 0 JHADRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Br)ccc1OCCO ZINC001307623960 1070086180 /nfs/dbraw/zinc/08/61/80/1070086180.db2.gz RRGSBVPQESUYEJ-LSDHHAIUSA-N 1 0 451.361 3.815 20 0 JHADRO CCOCc1nnc(N(C)Cc2cc(Br)cs2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001314302086 1070086639 /nfs/dbraw/zinc/08/66/39/1070086639.db2.gz OBTOYXRJMCAUCU-KRWDZBQOSA-N 1 0 486.480 3.632 20 0 JHADRO CCOCc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314302073 1070087186 /nfs/dbraw/zinc/08/71/86/1070087186.db2.gz HKEKUXQGHHPXJC-UHFFFAOYSA-N 1 0 478.682 3.915 20 0 JHADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@H]3C[C@]4(CCN(C(=O)OC(C)(C)C)C4)CO3)ccc2NC1=O ZINC001307626338 1070088037 /nfs/dbraw/zinc/08/80/37/1070088037.db2.gz IOCCPJLYKGTOMI-KNCJIILYSA-N 1 0 459.587 3.863 20 0 JHADRO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@@H](c1ccccc1Cl)C(C)C ZINC001307637585 1070093673 /nfs/dbraw/zinc/09/36/73/1070093673.db2.gz RLBWFGMJILLDCD-QGZVFWFLSA-N 1 0 451.976 3.911 20 0 JHADRO Cc1cccc([C@H](C)[NH2+]CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1C ZINC001307638164 1070094559 /nfs/dbraw/zinc/09/45/59/1070094559.db2.gz XTZORLGSNSDSDP-RSZPVBOMSA-N 1 0 455.555 3.946 20 0 JHADRO O=C(CC[NH2+][C@H](CN1CCOCC1)c1ccccc1)Nc1ccc(Br)cc1F ZINC001307639837 1070095502 /nfs/dbraw/zinc/09/55/02/1070095502.db2.gz KLRSRWQAJSXUHL-HXUWFJFHSA-N 1 0 450.352 3.580 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CN(CC)c3ccccc3O2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314310020 1070097891 /nfs/dbraw/zinc/09/78/91/1070097891.db2.gz UXUWHXDMNWMSMZ-FDFHNCONSA-N 1 0 470.662 3.659 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)c1nc(C)cs1 ZINC001314310686 1070098451 /nfs/dbraw/zinc/09/84/51/1070098451.db2.gz QMNSZXYRHDOGTC-LQBOVUBWSA-N 1 0 486.690 3.636 20 0 JHADRO CC(C)c1ccc(CN2CCN(C(=O)C[NH2+]C(C)(C)C(=O)NCC3CCCCC3)CC2)cc1 ZINC001307648195 1070100751 /nfs/dbraw/zinc/10/07/51/1070100751.db2.gz ZGXVBCDRDKBLHC-UHFFFAOYSA-N 1 0 456.675 3.519 20 0 JHADRO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001307648950 1070100799 /nfs/dbraw/zinc/10/07/99/1070100799.db2.gz CVZPKKUHMXLDJC-AEFFLSMTSA-N 1 0 459.509 3.827 20 0 JHADRO CCOCc1nnc(N2Cc3cccc(Br)c3C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001314323088 1070108888 /nfs/dbraw/zinc/10/88/88/1070108888.db2.gz CUYJXYTXNBDBKH-UHFFFAOYSA-N 1 0 492.462 3.987 20 0 JHADRO CSc1ccc([C@@H](CNC(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)[NH+](C)C)cc1 ZINC001312755506 1070105025 /nfs/dbraw/zinc/10/50/25/1070105025.db2.gz OUSAHKPALVULAC-FOIQADDNSA-N 1 0 455.546 3.579 20 0 JHADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)NCCCN3CCCCCC3=O)s2)cc1 ZINC001307657711 1070106237 /nfs/dbraw/zinc/10/62/37/1070106237.db2.gz KEXTUOGKGQMGJJ-KRWDZBQOSA-N 1 0 458.628 3.687 20 0 JHADRO CCOCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001314321389 1070106332 /nfs/dbraw/zinc/10/63/32/1070106332.db2.gz IYFDXIDCWNRTSZ-WSTZPKSXSA-N 1 0 469.552 3.881 20 0 JHADRO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC001307663520 1070109840 /nfs/dbraw/zinc/10/98/40/1070109840.db2.gz ZPJPBJMCPNVMML-SFHVURJKSA-N 1 0 455.400 3.671 20 0 JHADRO CCOCc1nnc(N2Cc3ccc(Br)cc3C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001314326349 1070114004 /nfs/dbraw/zinc/11/40/04/1070114004.db2.gz RZFQTJNRYWYUAW-UHFFFAOYSA-N 1 0 492.462 3.987 20 0 JHADRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001307677688 1070120489 /nfs/dbraw/zinc/12/04/89/1070120489.db2.gz AQRHGRVUJGLKCX-SFHVURJKSA-N 1 0 455.452 3.587 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314329485 1070120763 /nfs/dbraw/zinc/12/07/63/1070120763.db2.gz ZGEMUQOQJWHXNU-UHFFFAOYSA-N 1 0 474.694 3.554 20 0 JHADRO CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](CC)CC)C2 ZINC001312784821 1070120059 /nfs/dbraw/zinc/12/00/59/1070120059.db2.gz ABVMOVYDSKJIQI-WZONZLPQSA-N 1 0 455.603 3.619 20 0 JHADRO CCOCc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001314333458 1070127937 /nfs/dbraw/zinc/12/79/37/1070127937.db2.gz CTKNLOJUBNJFOP-FPOVZHCZSA-N 1 0 478.682 3.819 20 0 JHADRO CCOCc1nnc(N2CCC(c3ccccc3CO)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001314337800 1070134014 /nfs/dbraw/zinc/13/40/14/1070134014.db2.gz GWFOMVDMYQEXQZ-HSZRJFAPSA-N 1 0 455.647 3.955 20 0 JHADRO CC(C)Oc1ccc([C@H](CNC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)[NH+](C)C)cc1 ZINC001312807479 1070134930 /nfs/dbraw/zinc/13/49/30/1070134930.db2.gz YYJVJDUNPVFVBE-UZKOGDIHSA-N 1 0 462.635 3.879 20 0 JHADRO CC[C@H](C[N@H+](CC)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccccc1 ZINC001307702349 1070135973 /nfs/dbraw/zinc/13/59/73/1070135973.db2.gz INRBOQBHIFZRKO-LJQANCHMSA-N 1 0 456.612 3.611 20 0 JHADRO CC(=O)N(c1nc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cs1)c1cccc(C(F)(F)F)c1 ZINC001307705077 1070136078 /nfs/dbraw/zinc/13/60/78/1070136078.db2.gz OZSOIVHTQFAELG-HUUCEWRRSA-N 1 0 456.534 3.733 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)[C@@H](C)C1 ZINC001307705698 1070136778 /nfs/dbraw/zinc/13/67/78/1070136778.db2.gz BECOOKMFPRURPX-PXNSSMCTSA-N 1 0 455.628 3.957 20 0 JHADRO C[C@@H]1[C@H](NC(=O)N[C@H](CCO)c2cccc(OC(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001312815627 1070138605 /nfs/dbraw/zinc/13/86/05/1070138605.db2.gz MLQRAXPCECRBMN-MAODMQOUSA-N 1 0 451.489 3.971 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](c3ccccc3OC)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314338650 1070135393 /nfs/dbraw/zinc/13/53/93/1070135393.db2.gz JVTLHGDAMRWEIS-LJQANCHMSA-N 1 0 459.660 3.645 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001314341479 1070141069 /nfs/dbraw/zinc/14/10/69/1070141069.db2.gz IJEMWUGGBWBYTM-UHFFFAOYSA-N 1 0 454.541 3.833 20 0 JHADRO CCOCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1Cc1nccn1C(F)F ZINC001314341790 1070141871 /nfs/dbraw/zinc/14/18/71/1070141871.db2.gz KXMDMBNZHAWQSF-GOSISDBHSA-N 1 0 465.593 3.935 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001314342173 1070142647 /nfs/dbraw/zinc/14/26/47/1070142647.db2.gz QCGCHPHVUBAJAA-XUZZJYLKSA-N 1 0 455.647 3.978 20 0 JHADRO CCOCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001314342640 1070144136 /nfs/dbraw/zinc/14/41/36/1070144136.db2.gz WCNYQHWMTUTBIF-IFMALSPDSA-N 1 0 486.661 3.811 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)C(C)(C)C1 ZINC001307720206 1070145280 /nfs/dbraw/zinc/14/52/80/1070145280.db2.gz BTGZJJHRSZWZPN-QUCCMNQESA-N 1 0 458.628 3.974 20 0 JHADRO C[N@H+](CCCOCc1ccccc1)C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001307714423 1070140409 /nfs/dbraw/zinc/14/04/09/1070140409.db2.gz BIMYCHXFMFMCPR-QFIPXVFZSA-N 1 0 450.501 3.706 20 0 JHADRO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(F)(c3ccccc3C(F)(F)F)CC2)CC1 ZINC001307725562 1070150154 /nfs/dbraw/zinc/15/01/54/1070150154.db2.gz PHHOJRGEYKXDRD-INIZCTEOSA-N 1 0 459.484 3.655 20 0 JHADRO CCOCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1ccc(N2CCCCCC2)nc1 ZINC001314345882 1070151412 /nfs/dbraw/zinc/15/14/12/1070151412.db2.gz BHONYUMUYFKNFO-UHFFFAOYSA-N 1 0 455.651 3.605 20 0 JHADRO CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 ZINC001307727479 1070151741 /nfs/dbraw/zinc/15/17/41/1070151741.db2.gz IVGUIXUZOCVIDN-SFHVURJKSA-N 1 0 457.596 3.526 20 0 JHADRO CCOCc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314346090 1070151776 /nfs/dbraw/zinc/15/17/76/1070151776.db2.gz PXFYKECMJKJBBC-OAQYLSRUSA-N 1 0 476.000 3.948 20 0 JHADRO CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 ZINC001307727477 1070152017 /nfs/dbraw/zinc/15/20/17/1070152017.db2.gz IVGUIXUZOCVIDN-GOSISDBHSA-N 1 0 457.596 3.526 20 0 JHADRO CCOCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCc1cc(Br)ccc1F ZINC001314347154 1070154491 /nfs/dbraw/zinc/15/44/91/1070154491.db2.gz SFCZEHJILSTEPX-UHFFFAOYSA-N 1 0 468.415 3.926 20 0 JHADRO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC001307731751 1070155024 /nfs/dbraw/zinc/15/50/24/1070155024.db2.gz MHLMLWIBHYYCRU-FQEVSTJZSA-N 1 0 455.521 3.529 20 0 JHADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)NCc1cccc(Br)c1Cl ZINC001312870872 1070160953 /nfs/dbraw/zinc/16/09/53/1070160953.db2.gz YPRABSHIUNWYAI-QGZVFWFLSA-N 1 0 452.780 3.669 20 0 JHADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC001312871440 1070161456 /nfs/dbraw/zinc/16/14/56/1070161456.db2.gz AOBPSSIECVVEMT-UHFFFAOYSA-N 1 0 456.052 3.931 20 0 JHADRO CCOCc1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001314348496 1070158275 /nfs/dbraw/zinc/15/82/75/1070158275.db2.gz FFYWITZAUATGKH-QFIPXVFZSA-N 1 0 487.664 3.896 20 0 JHADRO CCOCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314348647 1070159019 /nfs/dbraw/zinc/15/90/19/1070159019.db2.gz DSYHOCUYMROUGK-CTNGQTDRSA-N 1 0 478.682 3.819 20 0 JHADRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)[C@H](C)[C@@H]1OC ZINC001307746864 1070163907 /nfs/dbraw/zinc/16/39/07/1070163907.db2.gz VNOOQLKSRBXURZ-RVHYNSKXSA-N 1 0 457.537 3.910 20 0 JHADRO CCOCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001314349799 1070165181 /nfs/dbraw/zinc/16/51/81/1070165181.db2.gz PROZUYIRHSQGND-HXUWFJFHSA-N 1 0 486.661 3.829 20 0 JHADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC001307752965 1070167532 /nfs/dbraw/zinc/16/75/32/1070167532.db2.gz CPOCNGDNGSWSHW-NHCUHLMSSA-N 1 0 453.674 3.842 20 0 JHADRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)[C@H](O)c1ccccc1 ZINC001307755159 1070168621 /nfs/dbraw/zinc/16/86/21/1070168621.db2.gz YCJUNUBLZSALIO-GDIGMMSISA-N 1 0 452.336 3.966 20 0 JHADRO CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307772797 1070177041 /nfs/dbraw/zinc/17/70/41/1070177041.db2.gz IKLDHQLLNNWNCK-RBUKOAKNSA-N 1 0 459.587 3.771 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(OC)cc3C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314353795 1070174709 /nfs/dbraw/zinc/17/47/09/1070174709.db2.gz CDSKLGFNMIQSFP-JOCHJYFZSA-N 1 0 457.619 3.515 20 0 JHADRO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@H]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC001307774213 1070178726 /nfs/dbraw/zinc/17/87/26/1070178726.db2.gz SOGNGNWAPBCGED-FDFHNCONSA-N 1 0 456.631 3.983 20 0 JHADRO CCOCc1nnc(N2CCc3ccc(Br)cc3C2)n1CCC[NH+](CC)CC ZINC001314357802 1070180510 /nfs/dbraw/zinc/18/05/10/1070180510.db2.gz SKVNIHKBHWBSIZ-UHFFFAOYSA-N 1 0 450.425 3.872 20 0 JHADRO CCOCc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314358878 1070181468 /nfs/dbraw/zinc/18/14/68/1070181468.db2.gz OXGKPELOURADSZ-AOMKIAJQSA-N 1 0 481.567 3.697 20 0 JHADRO CCOCc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001314358822 1070181474 /nfs/dbraw/zinc/18/14/74/1070181474.db2.gz OFQAVHPEVXELLZ-QGZVFWFLSA-N 1 0 489.546 3.707 20 0 JHADRO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312924477 1070182690 /nfs/dbraw/zinc/18/26/90/1070182690.db2.gz BUMVFBRRCIOUDT-OUFMZXHOSA-N 1 0 473.658 3.835 20 0 JHADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC001307797050 1070186193 /nfs/dbraw/zinc/18/61/93/1070186193.db2.gz UXHUDAFTVVVYFT-BCHFMIIMSA-N 1 0 450.583 3.692 20 0 JHADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC001307797054 1070186210 /nfs/dbraw/zinc/18/62/10/1070186210.db2.gz UXHUDAFTVVVYFT-SIBVEZHUSA-N 1 0 450.583 3.692 20 0 JHADRO CC(C)(C)OC(=O)C1CCC(O)(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001307799643 1070187045 /nfs/dbraw/zinc/18/70/45/1070187045.db2.gz NQUSEXFTRUPSKN-UHFFFAOYSA-N 1 0 452.636 3.972 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001314362786 1070187373 /nfs/dbraw/zinc/18/73/73/1070187373.db2.gz BEHXKPVIAKRALH-DEOSSOPVSA-N 1 0 482.673 3.590 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001314362866 1070188265 /nfs/dbraw/zinc/18/82/65/1070188265.db2.gz AHLXBHLYEAGSSN-NJDAHSKKSA-N 1 0 486.627 3.790 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](CC(=O)NCCc1nc3ccccc3s1)CC2 ZINC001307801359 1070188743 /nfs/dbraw/zinc/18/87/43/1070188743.db2.gz XKBOMAUEHUHGOE-UHFFFAOYSA-N 1 0 458.628 3.678 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001314363321 1070188878 /nfs/dbraw/zinc/18/88/78/1070188878.db2.gz DCJCDUBFGWINHD-ICSRJNTNSA-N 1 0 478.588 3.950 20 0 JHADRO Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001312946306 1070193545 /nfs/dbraw/zinc/19/35/45/1070193545.db2.gz FJABKESJVASGJJ-LJQANCHMSA-N 1 0 450.505 3.555 20 0 JHADRO CCN1C[C@@H](CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)[NH+](C)C)CC1=O ZINC001312967854 1070203776 /nfs/dbraw/zinc/20/37/76/1070203776.db2.gz YBSOJMPBTMCADJ-XLIONFOSSA-N 1 0 457.446 3.960 20 0 JHADRO C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001307827711 1070202606 /nfs/dbraw/zinc/20/26/06/1070202606.db2.gz UGUHXFDFFJQLOL-LJQANCHMSA-N 1 0 458.603 3.514 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C[C@](C)(O)c1ccsc1 ZINC001314368537 1070203301 /nfs/dbraw/zinc/20/33/01/1070203301.db2.gz WCRHJENEWMVLAN-YKSBVNFPSA-N 1 0 461.676 3.876 20 0 JHADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)CC1 ZINC001307830665 1070204141 /nfs/dbraw/zinc/20/41/41/1070204141.db2.gz CESMTHVIWWDAMV-FCHUYYIVSA-N 1 0 454.558 3.718 20 0 JHADRO COc1ccc(CN2CC[C@H]([NH+]3CCC4(CCN(C(=O)OC(C)(C)C)CC4)CC3)C2=O)cc1 ZINC001307830048 1070204347 /nfs/dbraw/zinc/20/43/47/1070204347.db2.gz YVIWCTXXQMMQKK-QFIPXVFZSA-N 1 0 457.615 3.909 20 0 JHADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)CC1 ZINC001307830667 1070204382 /nfs/dbraw/zinc/20/43/82/1070204382.db2.gz CESMTHVIWWDAMV-VXKWHMMOSA-N 1 0 454.558 3.718 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314370085 1070206829 /nfs/dbraw/zinc/20/68/29/1070206829.db2.gz VDXRXWBTXNTEIK-IAGOWNOFSA-N 1 0 481.523 3.767 20 0 JHADRO COC(=O)c1ccc(F)c(C[NH+]2CCC([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1 ZINC001307839681 1070207189 /nfs/dbraw/zinc/20/71/89/1070207189.db2.gz KLPUBJFQXGFTOI-PZJWPPBQSA-N 1 0 450.551 3.897 20 0 JHADRO COC1([C@H](C)[NH2+]CC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)CCOCC1 ZINC001307849536 1070210478 /nfs/dbraw/zinc/21/04/78/1070210478.db2.gz JLRNDKLOMBOMGI-KRWDZBQOSA-N 1 0 456.608 3.970 20 0 JHADRO 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C[NH+]1CCC(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)(c2ccccc2)CC1 ZINC001313010005 1070219667 /nfs/dbraw/zinc/21/96/67/1070219667.db2.gz FHQJBDLITIXIIP-NRFANRHFSA-N 1 0 456.631 3.881 20 0 JHADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC001307878682 1070220343 /nfs/dbraw/zinc/22/03/43/1070220343.db2.gz VPQKJNGPVUWXFK-UHFFFAOYSA-N 1 0 456.587 3.640 20 0 JHADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC001307880524 1070221691 /nfs/dbraw/zinc/22/16/91/1070221691.db2.gz DUSWLMZLDWOPEL-NRFANRHFSA-N 1 0 453.421 3.942 20 0 JHADRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@H]1c1ccc(Cl)cc1 ZINC001307881772 1070222308 /nfs/dbraw/zinc/22/23/08/1070222308.db2.gz CLEHMUHVEIAHKQ-TUNNFDKTSA-N 1 0 462.924 3.998 20 0 JHADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001313027958 1070225796 /nfs/dbraw/zinc/22/57/96/1070225796.db2.gz WYXYRIOTECIBKZ-IEBWSBKVSA-N 1 0 456.450 3.829 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001314384252 1070228271 /nfs/dbraw/zinc/22/82/71/1070228271.db2.gz CLYHRQRSQCUHHW-LJQANCHMSA-N 1 0 490.674 3.770 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314384397 1070228655 /nfs/dbraw/zinc/22/86/55/1070228655.db2.gz OHICCMZMUMMYSI-UHFFFAOYSA-N 1 0 474.694 3.556 20 0 JHADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001313036147 1070229527 /nfs/dbraw/zinc/22/95/27/1070229527.db2.gz FAHFYAFOYHIYQQ-KRWDZBQOSA-N 1 0 453.414 3.868 20 0 JHADRO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[NH2+]C1(c2ccccc2C)CCC1 ZINC001307896391 1070229954 /nfs/dbraw/zinc/22/99/54/1070229954.db2.gz CQURTNCQXSZIQK-UHFFFAOYSA-N 1 0 457.596 3.851 20 0 JHADRO COc1ccc(NC(=O)c2nnc(CN3CC[C@@H]([N@H+](C)CCc4ccccc4)C3)s2)cc1 ZINC001307908071 1070234231 /nfs/dbraw/zinc/23/42/31/1070234231.db2.gz AZCNHVFKDFDKNX-HXUWFJFHSA-N 1 0 451.596 3.548 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314387966 1070237187 /nfs/dbraw/zinc/23/71/87/1070237187.db2.gz FKHOSFWFUTXIHM-NJDAHSKKSA-N 1 0 475.707 3.522 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001314390050 1070243081 /nfs/dbraw/zinc/24/30/81/1070243081.db2.gz HTIKYPRCIYNNPN-XMSQKQJNSA-N 1 0 476.616 3.706 20 0 JHADRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC001307916669 1070239443 /nfs/dbraw/zinc/23/94/43/1070239443.db2.gz HKXLJAHRQZRUAN-PXNSSMCTSA-N 1 0 454.537 3.737 20 0 JHADRO CCOCc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314388712 1070239520 /nfs/dbraw/zinc/23/95/20/1070239520.db2.gz BOEQHFRSTKDPJE-KBMIEXCESA-N 1 0 476.616 3.930 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314388809 1070240088 /nfs/dbraw/zinc/24/00/88/1070240088.db2.gz MQKOZVFZWRYCDB-ROKPMTFOSA-N 1 0 475.707 3.665 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH2+]CCS(=O)(=O)c2ccccc2)C1 ZINC001307919243 1070240982 /nfs/dbraw/zinc/24/09/82/1070240982.db2.gz PKMCDIOPYCDLBU-FGZHOGPDSA-N 1 0 462.587 3.982 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001314390057 1070243465 /nfs/dbraw/zinc/24/34/65/1070243465.db2.gz HYQPKNVCCDHTEM-NFDBJIOVSA-N 1 0 495.590 3.965 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCOc1ccc(F)c(Cl)c1 ZINC001314389610 1070242048 /nfs/dbraw/zinc/24/20/48/1070242048.db2.gz BPWIAXQDCAJACD-KRWDZBQOSA-N 1 0 466.001 3.997 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cc(=O)n3ccccc3n2)cc1 ZINC001307920155 1070242483 /nfs/dbraw/zinc/24/24/83/1070242483.db2.gz XVQOGHYYJXFPPR-VXKWHMMOSA-N 1 0 464.566 3.586 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccc(C(C)=O)cc3F)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001314391825 1070246621 /nfs/dbraw/zinc/24/66/21/1070246621.db2.gz SUUUVSMNYSJKKM-QFIPXVFZSA-N 1 0 486.636 3.747 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001314390646 1070244800 /nfs/dbraw/zinc/24/48/00/1070244800.db2.gz MXZWEKYBPIJSFP-PZJWPPBQSA-N 1 0 476.666 3.525 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3Cl)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001314390564 1070244912 /nfs/dbraw/zinc/24/49/12/1070244912.db2.gz LEUDNSPOZNYFFK-UHFFFAOYSA-N 1 0 491.080 3.684 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](CC(=O)NC(=O)NC3CCCCC3)CC2)C1 ZINC001307923437 1070245027 /nfs/dbraw/zinc/24/50/27/1070245027.db2.gz IVDDSIGITNROLY-LJQANCHMSA-N 1 0 450.624 3.504 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](CC(=O)NC(=O)NC3CCCCC3)CC2)C1 ZINC001307923436 1070245102 /nfs/dbraw/zinc/24/51/02/1070245102.db2.gz IVDDSIGITNROLY-IBGZPJMESA-N 1 0 450.624 3.504 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314391171 1070245392 /nfs/dbraw/zinc/24/53/92/1070245392.db2.gz OGIJQWHDZNRZLA-FGZHOGPDSA-N 1 0 454.663 3.898 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314391173 1070245452 /nfs/dbraw/zinc/24/54/52/1070245452.db2.gz OGIJQWHDZNRZLA-VXKWHMMOSA-N 1 0 454.663 3.898 20 0 JHADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC001307939418 1070250395 /nfs/dbraw/zinc/25/03/95/1070250395.db2.gz RZTZPJVCRGGZOX-OAQYLSRUSA-N 1 0 453.631 3.684 20 0 JHADRO CC[N@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001307945826 1070253941 /nfs/dbraw/zinc/25/39/41/1070253941.db2.gz CYXSOWKTXVSQHG-CQSZACIVSA-N 1 0 450.440 3.712 20 0 JHADRO O=C(N1CCC[C@H](C2CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1)C(F)(F)F ZINC001307939986 1070250895 /nfs/dbraw/zinc/25/08/95/1070250895.db2.gz BTZDGLBDUUEEQO-SFTDATJTSA-N 1 0 451.533 3.691 20 0 JHADRO CCOCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CCc1ncc(CC)s1 ZINC001314396418 1070255743 /nfs/dbraw/zinc/25/57/43/1070255743.db2.gz LGTNFPWWXQDURB-IBGZPJMESA-N 1 0 454.644 3.787 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@@H](C)c1c(C)noc1C ZINC001314397369 1070257134 /nfs/dbraw/zinc/25/71/34/1070257134.db2.gz ACGRURBOXFFHPV-LJQANCHMSA-N 1 0 452.603 3.588 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001313132604 1070262919 /nfs/dbraw/zinc/26/29/19/1070262919.db2.gz JBGHZNXAKWNZSS-PZUNEJSGSA-N 1 0 480.609 3.583 20 0 JHADRO C[N@H+](Cc1cc(I)cc(I)c1)[C@@H]1CCCC[C@H]1O ZINC001307980831 1070260052 /nfs/dbraw/zinc/26/00/52/1070260052.db2.gz IWLVLSRPSYDLLG-ZIAGYGMSSA-N 1 0 471.120 3.631 20 0 JHADRO CCOCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC(C)(C)c1cccc(F)c1 ZINC001314399588 1070260285 /nfs/dbraw/zinc/26/02/85/1070260285.db2.gz ZCJBVRAKOHKWMR-SZPZYZBQSA-N 1 0 486.680 3.926 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@](C)(O)c2cccs2)cc1 ZINC001313132698 1070262638 /nfs/dbraw/zinc/26/26/38/1070262638.db2.gz KOQGDMNLWUDYNS-ZEVJAHDQSA-N 1 0 465.619 3.932 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@@]2(C)CCCC[C@@H]2O)cc1 ZINC001313134146 1070263617 /nfs/dbraw/zinc/26/36/17/1070263617.db2.gz YJFKAFMBZQQICE-ZJMAKVHZSA-N 1 0 451.611 3.904 20 0 JHADRO COC(=O)c1cnc(C2CCN(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)s1 ZINC001313135823 1070264449 /nfs/dbraw/zinc/26/44/49/1070264449.db2.gz DRCDUUQBQUAFHS-FXAWDEMLSA-N 1 0 456.612 3.587 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001314403912 1070266834 /nfs/dbraw/zinc/26/68/34/1070266834.db2.gz OKXUJWJAYZVEKV-CTNGQTDRSA-N 1 0 470.643 3.678 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314406346 1070269347 /nfs/dbraw/zinc/26/93/47/1070269347.db2.gz HUILDGJDKYEJQH-KRWDZBQOSA-N 1 0 454.040 3.982 20 0 JHADRO CCOC(=O)c1nnn(C2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)c1C(F)F ZINC001307994093 1070272805 /nfs/dbraw/zinc/27/28/05/1070272805.db2.gz VGUVMUPBMIVDNQ-UHFFFAOYSA-N 1 0 455.893 3.712 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314409191 1070273716 /nfs/dbraw/zinc/27/37/16/1070273716.db2.gz NONCVHHQIHWMIV-NHCUHLMSSA-N 1 0 455.628 3.627 20 0 JHADRO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001307999708 1070274986 /nfs/dbraw/zinc/27/49/86/1070274986.db2.gz HIUFVCIRXPEROB-RTWAWAEBSA-N 1 0 454.951 3.721 20 0 JHADRO COC(=O)c1c(C)c(C)sc1NC(=O)CN1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308010291 1070278351 /nfs/dbraw/zinc/27/83/51/1070278351.db2.gz ZLXLNMIHRGNZTD-JWQCQUIFSA-N 1 0 455.624 3.934 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314416738 1070282663 /nfs/dbraw/zinc/28/26/63/1070282663.db2.gz ADRBCGQNVCFUTB-XUZZJYLKSA-N 1 0 471.646 3.563 20 0 JHADRO COC(=O)C1=NO[C@]2(CC[N@H+](C[C@H](O)c3ccc(-c4ccc(Br)cc4)cc3)C2)C1 ZINC001308016027 1070281505 /nfs/dbraw/zinc/28/15/05/1070281505.db2.gz QJISWZIPVAPZGU-RBBKRZOGSA-N 1 0 459.340 3.543 20 0 JHADRO CCOCc1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001314417280 1070283883 /nfs/dbraw/zinc/28/38/83/1070283883.db2.gz PASQEQRZBKGHJK-BGYRXZFFSA-N 1 0 469.621 3.825 20 0 JHADRO C[NH+]1CCC(CNC(=O)N[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)(c2ccccc2)CC1 ZINC001313186586 1070286293 /nfs/dbraw/zinc/28/62/93/1070286293.db2.gz OEBCZEBMXFOGHV-LVXARBLLSA-N 1 0 456.631 3.881 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCC[N@H+](C)C(C)C)C1 ZINC001314420743 1070292466 /nfs/dbraw/zinc/29/24/66/1070292466.db2.gz LRUVCRFHBXHDFR-IBGZPJMESA-N 1 0 467.618 3.577 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001314420160 1070291649 /nfs/dbraw/zinc/29/16/49/1070291649.db2.gz JSCLMSLVUVLYCX-OAQYLSRUSA-N 1 0 454.594 3.808 20 0 JHADRO C[C@@H]1C[N@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001308052598 1070294088 /nfs/dbraw/zinc/29/40/88/1070294088.db2.gz SZXZWVIJCQESOP-IECBHUPTSA-N 1 0 453.624 3.734 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001314421887 1070295504 /nfs/dbraw/zinc/29/55/04/1070295504.db2.gz QSZYDKHLNCOTIE-YADHBBJMSA-N 1 0 471.646 3.708 20 0 JHADRO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 ZINC001308067148 1070300835 /nfs/dbraw/zinc/30/08/35/1070300835.db2.gz YZQAEMQDMZIIRV-AIPGSSSHSA-N 1 0 458.599 3.579 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001314426725 1070305488 /nfs/dbraw/zinc/30/54/88/1070305488.db2.gz NSXQVNUFGCUEMP-QFIPXVFZSA-N 1 0 457.667 3.515 20 0 JHADRO COC(=O)[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1OC(F)(F)F ZINC001308082157 1070307141 /nfs/dbraw/zinc/30/71/41/1070307141.db2.gz DEZHBVHGGIGVOJ-WIYYLYMNSA-N 1 0 452.473 3.680 20 0 JHADRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001308097947 1070310816 /nfs/dbraw/zinc/31/08/16/1070310816.db2.gz GRCJZQHYLHKHGV-OXQOHEQNSA-N 1 0 450.004 3.797 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001314429786 1070311692 /nfs/dbraw/zinc/31/16/92/1070311692.db2.gz IDEKORZCQNEWJY-IECBHUPTSA-N 1 0 477.650 3.857 20 0 JHADRO Cc1c(Br)cccc1CCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001313271861 1070311813 /nfs/dbraw/zinc/31/18/13/1070311813.db2.gz YVLHUBKXHZVDTO-ROUUACIJSA-N 1 0 451.453 3.500 20 0 JHADRO CCS(=O)(=O)c1ccccc1CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313273696 1070312592 /nfs/dbraw/zinc/31/25/92/1070312592.db2.gz VSXLWFPMWQMZPX-NZQKXSOJSA-N 1 0 457.640 3.717 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)C1 ZINC001313292162 1070318621 /nfs/dbraw/zinc/31/86/21/1070318621.db2.gz VMTFUHVWAXFCIE-HKBOAZHASA-N 1 0 478.584 3.795 20 0 JHADRO CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC001308117263 1070318948 /nfs/dbraw/zinc/31/89/48/1070318948.db2.gz QIKAVLCBKQZKNS-UHFFFAOYSA-N 1 0 451.583 3.584 20 0 JHADRO CN(C)c1cc[nH+]c(CNC(=O)N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1 ZINC001313295600 1070319411 /nfs/dbraw/zinc/31/94/11/1070319411.db2.gz BRWICEUMCKEBBJ-QPPBQGQZSA-N 1 0 450.514 3.537 20 0 JHADRO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[N@H+](Cc1ccccc1)Cc1cc[nH]c(=O)c1 ZINC001308121736 1070320703 /nfs/dbraw/zinc/32/07/03/1070320703.db2.gz RGAJLXMCZKKBAA-YADHBBJMSA-N 1 0 469.582 3.978 20 0 JHADRO CC[C@]1(C(=O)OC(C)(C)C)CCCN(CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C1 ZINC001308122139 1070321119 /nfs/dbraw/zinc/32/11/19/1070321119.db2.gz RKJHGCFSQOVKDW-QHCPKHFHSA-N 1 0 451.995 3.537 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001314435251 1070321416 /nfs/dbraw/zinc/32/14/16/1070321416.db2.gz OHMGYULPRYLAKV-NHCUHLMSSA-N 1 0 471.646 3.946 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314436743 1070324387 /nfs/dbraw/zinc/32/43/87/1070324387.db2.gz PMGOATUAWYDPBO-RZUBCFFCSA-N 1 0 476.065 3.884 20 0 JHADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001308139453 1070325709 /nfs/dbraw/zinc/32/57/09/1070325709.db2.gz KVMIOFNSXQCXBM-HOTGVXAUSA-N 1 0 452.780 3.722 20 0 JHADRO C[N@H+](CCc1nccc(C(F)(F)F)n1)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O ZINC001308140496 1070325790 /nfs/dbraw/zinc/32/57/90/1070325790.db2.gz HGHBKLPEMPONPL-QFBILLFUSA-N 1 0 452.477 3.827 20 0 JHADRO C[C@H]([NH2+][C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C)C(=O)NC(=O)NC1CCCCC1 ZINC001308171120 1070334841 /nfs/dbraw/zinc/33/48/41/1070334841.db2.gz LRDKGHHEFOQBNS-JCHJZTRSSA-N 1 0 450.624 3.547 20 0 JHADRO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c1C ZINC001308172526 1070335297 /nfs/dbraw/zinc/33/52/97/1070335297.db2.gz FKZNOIPWHLTDAR-UQBPGWFLSA-N 1 0 458.603 3.968 20 0 JHADRO C[N@@H+]1C[C@@H](CNC(=O)N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)[C@H](c2ccccc2)C1 ZINC001313370924 1070338728 /nfs/dbraw/zinc/33/87/28/1070338728.db2.gz GJVDRQJQKMCEKD-SBHAEUEKSA-N 1 0 474.527 3.714 20 0 JHADRO CO[C@H](C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001308176040 1070336866 /nfs/dbraw/zinc/33/68/66/1070336866.db2.gz BIZGQLRQOOWWEW-VQTJNVASSA-N 1 0 451.995 3.571 20 0 JHADRO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC001313370877 1070339124 /nfs/dbraw/zinc/33/91/24/1070339124.db2.gz VRHJEEVQFPTBOE-MRXNPFEDSA-N 1 0 451.409 3.541 20 0 JHADRO CC1([NH+]2CCC2)CCC(NC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC001313373995 1070339454 /nfs/dbraw/zinc/33/94/54/1070339454.db2.gz FNZBLWDRTVSIMA-UHFFFAOYSA-N 1 0 453.414 3.868 20 0 JHADRO Cc1sc(C[NH2+]Cc2cccc(NC(=O)CCN3CCOCC3)c2)cc1Br ZINC001308206917 1070340012 /nfs/dbraw/zinc/34/00/12/1070340012.db2.gz BGYCYQVNEQJVMT-UHFFFAOYSA-N 1 0 452.418 3.770 20 0 JHADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+]CCN2CCc3ccccc32)c1 ZINC001308234072 1070343914 /nfs/dbraw/zinc/34/39/14/1070343914.db2.gz KQNORWUQDVQSGJ-UHFFFAOYSA-N 1 0 450.410 3.857 20 0 JHADRO C[NH+]1CCN(C[C@H](NCc2cccc(F)c2I)c2ccccc2)CC1 ZINC001308243608 1070345098 /nfs/dbraw/zinc/34/50/98/1070345098.db2.gz ANYLAIFGESIUAA-IBGZPJMESA-N 1 0 453.343 3.509 20 0 JHADRO Brc1ccc2ncc(C[NH2+]Cc3cc(Br)c4c(c3)OCCO4)n2c1 ZINC001308249092 1070345491 /nfs/dbraw/zinc/34/54/91/1070345491.db2.gz XPHGATBLIBRLHP-UHFFFAOYSA-N 1 0 453.134 3.920 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)CCO2 ZINC001308248670 1070345527 /nfs/dbraw/zinc/34/55/27/1070345527.db2.gz KZIDROCQZPBCFQ-IBGZPJMESA-N 1 0 451.995 3.608 20 0 JHADRO O[C@H](C[NH2+]Cc1cc(Cl)ccc1I)COc1ccc(F)c(F)c1 ZINC001308252502 1070346020 /nfs/dbraw/zinc/34/60/20/1070346020.db2.gz VTDNQQZNSMGHDE-GFCCVEGCSA-N 1 0 453.654 3.752 20 0 JHADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC001308258799 1070347065 /nfs/dbraw/zinc/34/70/65/1070347065.db2.gz QOWHFBYJBFQQJT-ZDUSSCGKSA-N 1 0 453.178 3.679 20 0 JHADRO O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001313409512 1070350284 /nfs/dbraw/zinc/35/02/84/1070350284.db2.gz OXARQLJXVWAFPL-QGZVFWFLSA-N 1 0 458.404 3.639 20 0 JHADRO CCOc1cc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)cc(Br)c1OCC(=O)N(C)C ZINC001308283982 1070352246 /nfs/dbraw/zinc/35/22/46/1070352246.db2.gz FWVLNHBYGJUDMC-UWJYYQICSA-N 1 0 457.409 3.608 20 0 JHADRO COc1cc(CNc2ccc(OCCN3CC[NH+](C)CC3)cc2)ccc1OCC(F)(F)F ZINC001308289811 1070353216 /nfs/dbraw/zinc/35/32/16/1070353216.db2.gz YKEWCVQMQZZRNJ-UHFFFAOYSA-N 1 0 453.505 3.875 20 0 JHADRO COc1cc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)ccc1OCc1ccc(Cl)cc1 ZINC001308299006 1070353602 /nfs/dbraw/zinc/35/36/02/1070353602.db2.gz AXDHSCMTMWTOSB-HOYKHHGWSA-N 1 0 457.958 3.738 20 0 JHADRO O=C(NCCNC(=O)OCc1ccccc1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001313427461 1070356749 /nfs/dbraw/zinc/35/67/49/1070356749.db2.gz KMXDSNSWXHJMHD-IZZNHLLZSA-N 1 0 472.589 3.880 20 0 JHADRO CN(C(=O)NCCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001313434343 1070358762 /nfs/dbraw/zinc/35/87/62/1070358762.db2.gz UVXHYOBZFRRUEQ-LOSJGSFVSA-N 1 0 454.590 3.682 20 0 JHADRO C[NH+](C)C1CCN(c2ccc(NCc3ccc(F)cc3I)nc2)CC1 ZINC001308321031 1070355649 /nfs/dbraw/zinc/35/56/49/1070355649.db2.gz KXVXUGIPOVATIM-UHFFFAOYSA-N 1 0 454.331 3.968 20 0 JHADRO CCOc1cc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cc(Br)c1OCC(=O)N(C)C ZINC001308369506 1070362398 /nfs/dbraw/zinc/36/23/98/1070362398.db2.gz NTRSJZGGBRWGDW-JKSUJKDBSA-N 1 0 457.409 3.610 20 0 JHADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC001308368753 1070362425 /nfs/dbraw/zinc/36/24/25/1070362425.db2.gz CKRXNXQOOMPWCJ-UHFFFAOYSA-N 1 0 453.052 3.884 20 0 JHADRO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]C3CCN(S(=O)(=O)C(C)(C)C)CC3)cc12 ZINC001308369115 1070362552 /nfs/dbraw/zinc/36/25/52/1070362552.db2.gz HLNFTFZBZYFSPA-UHFFFAOYSA-N 1 0 456.056 3.830 20 0 JHADRO Brc1ccccc1-n1cc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)nn1 ZINC001308370508 1070362991 /nfs/dbraw/zinc/36/29/91/1070362991.db2.gz MFLPBJWOHHMRHT-IBGZPJMESA-N 1 0 458.429 3.737 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001313446652 1070363579 /nfs/dbraw/zinc/36/35/79/1070363579.db2.gz DKSZQEQWTCERJB-FQEVSTJZSA-N 1 0 489.462 3.674 20 0 JHADRO CCCN1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1=O ZINC001313446050 1070361085 /nfs/dbraw/zinc/36/10/85/1070361085.db2.gz BGUOVPDYKXQSOD-HXUWFJFHSA-N 1 0 489.064 3.691 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C(N)=O)CC1 ZINC001313446245 1070361626 /nfs/dbraw/zinc/36/16/26/1070361626.db2.gz ANHROLFONHEQNA-IBGZPJMESA-N 1 0 489.462 3.592 20 0 JHADRO C[C@@H](O)c1ncc(C[NH2+]C[C@H]2CCCN2Cc2ccc(I)cc2)s1 ZINC001308385908 1070365794 /nfs/dbraw/zinc/36/57/94/1070365794.db2.gz QEUPRZXUEVCIKP-CZUORRHYSA-N 1 0 457.381 3.555 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001313447158 1070365992 /nfs/dbraw/zinc/36/59/92/1070365992.db2.gz JKJFIHHVDWOREH-QFIPXVFZSA-N 1 0 484.645 3.885 20 0 JHADRO COc1cc(C[NH2+]CC2(S(C)(=O)=O)CC2)ccc1OCc1ccc(Br)cc1 ZINC001308393378 1070367556 /nfs/dbraw/zinc/36/75/56/1070367556.db2.gz UJWRWSBMVCNVDU-UHFFFAOYSA-N 1 0 454.386 3.704 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313447463 1070367863 /nfs/dbraw/zinc/36/78/63/1070367863.db2.gz IMLYQPMQPZVQER-KNOQFWTLSA-N 1 0 489.064 3.908 20 0 JHADRO COc1cc(C[NH2+]CCNS(=O)(=O)c2cc(C)ccc2Br)ccc1SC ZINC001308398323 1070368944 /nfs/dbraw/zinc/36/89/44/1070368944.db2.gz YBUBORMHIJXCQR-UHFFFAOYSA-N 1 0 459.431 3.556 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001313448453 1070370767 /nfs/dbraw/zinc/37/07/67/1070370767.db2.gz QMOAJQSPEREPOI-FQEVSTJZSA-N 1 0 490.446 3.971 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001313448391 1070371215 /nfs/dbraw/zinc/37/12/15/1070371215.db2.gz RAODONZEUYFDTL-HOJAQTOUSA-N 1 0 478.037 3.722 20 0 JHADRO CCCN1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC[NH+]2CCCCCC2)CC1=O ZINC001313448413 1070371254 /nfs/dbraw/zinc/37/12/54/1070371254.db2.gz JBKXOIQFCBACIE-UHFFFAOYSA-N 1 0 489.064 3.835 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001313449034 1070373256 /nfs/dbraw/zinc/37/32/56/1070373256.db2.gz URRDDEOLRQJCSF-FPOVZHCZSA-N 1 0 457.619 3.700 20 0 JHADRO CCOCCN(C)c1nnc(-c2cccc(Br)c2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001314464507 1070374452 /nfs/dbraw/zinc/37/44/52/1070374452.db2.gz IJMNVSWUKHKGRB-UHFFFAOYSA-N 1 0 492.462 3.825 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001313449795 1070375572 /nfs/dbraw/zinc/37/55/72/1070375572.db2.gz ZTOLWYKGWRJAOF-CUWPLCDZSA-N 1 0 496.077 3.569 20 0 JHADRO CCOCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001314466045 1070376522 /nfs/dbraw/zinc/37/65/22/1070376522.db2.gz HHFLNLIUQWWXJM-MRXNPFEDSA-N 1 0 450.425 3.971 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001313450178 1070377116 /nfs/dbraw/zinc/37/71/16/1070377116.db2.gz LUNZWOFEZFLHDX-FPOVZHCZSA-N 1 0 455.651 3.525 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc2ccccc2s1 ZINC001313450263 1070377196 /nfs/dbraw/zinc/37/71/96/1070377196.db2.gz VWHBBZOWHQRMOV-KRWDZBQOSA-N 1 0 455.632 3.537 20 0 JHADRO CCOCCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001314467681 1070378197 /nfs/dbraw/zinc/37/81/97/1070378197.db2.gz UQICPVHJECSGQR-OAQYLSRUSA-N 1 0 456.635 3.740 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)CCSC ZINC001313451465 1070379026 /nfs/dbraw/zinc/37/90/26/1070379026.db2.gz YLXQFAXZPCHZOH-OALUTQOASA-N 1 0 483.686 3.644 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(C)C ZINC001313451277 1070379241 /nfs/dbraw/zinc/37/92/41/1070379241.db2.gz WILVKJRNCQAXJR-IBGZPJMESA-N 1 0 461.680 3.595 20 0 JHADRO CN(CCOCC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)OC(C)(C)C ZINC001308469493 1070379163 /nfs/dbraw/zinc/37/91/63/1070379163.db2.gz OWRQSTMGVFNFED-UHFFFAOYSA-N 1 0 456.509 3.923 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NCc3ccc(O[C@@H]4CCOC4)cc3)c2)CC1 ZINC001308482272 1070381037 /nfs/dbraw/zinc/38/10/37/1070381037.db2.gz KAHDYRWCCKNIQT-JOCHJYFZSA-N 1 0 454.571 3.919 20 0 JHADRO COc1cc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)cc(OC)c1OCC(N)=O ZINC001308497056 1070381542 /nfs/dbraw/zinc/38/15/42/1070381542.db2.gz FAZHGQCIQBWWOD-HSZRJFAPSA-N 1 0 452.555 3.855 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001313452201 1070382165 /nfs/dbraw/zinc/38/21/65/1070382165.db2.gz IJFCKNJAHQHOPW-QHCPKHFHSA-N 1 0 498.672 3.667 20 0 JHADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NCc2cc3ccccc3[nH]2)c1 ZINC001308508448 1070382931 /nfs/dbraw/zinc/38/29/31/1070382931.db2.gz HUNBCTGZPDKKSF-UHFFFAOYSA-N 1 0 455.628 3.562 20 0 JHADRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)c1 ZINC001308514477 1070383517 /nfs/dbraw/zinc/38/35/17/1070383517.db2.gz VQRHFSRLMMQJOF-RBZFPXEDSA-N 1 0 452.345 3.839 20 0 JHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(F)cc2I)cc1OC ZINC001308511434 1070383551 /nfs/dbraw/zinc/38/35/51/1070383551.db2.gz AVZWRAODCHFJJB-IBGZPJMESA-N 1 0 459.299 3.531 20 0 JHADRO CC(C)(C)OC(=O)NC1CCN(CC[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC001308519398 1070385138 /nfs/dbraw/zinc/38/51/38/1070385138.db2.gz TVJNACVRWOREED-UHFFFAOYSA-N 1 0 457.974 3.603 20 0 JHADRO Cc1ccc(CNC(=O)c2c[nH]nc2NCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cc1 ZINC001308534493 1070387093 /nfs/dbraw/zinc/38/70/93/1070387093.db2.gz AOLRJEDZNBLUFP-UHFFFAOYSA-N 1 0 457.481 3.643 20 0 JHADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001308535146 1070387212 /nfs/dbraw/zinc/38/72/12/1070387212.db2.gz KDCZVCHDDZLJAX-NHCUHLMSSA-N 1 0 461.603 3.704 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCN(C(=O)Cc3ccccc3C)CC2)nnc1C(C)(C)C ZINC001313454013 1070387810 /nfs/dbraw/zinc/38/78/10/1070387810.db2.gz ZPQXZSXLKZMYBX-QHCPKHFHSA-N 1 0 466.674 3.650 20 0 JHADRO CCCn1nc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001313455163 1070391387 /nfs/dbraw/zinc/39/13/87/1070391387.db2.gz JODWVRJCNDZSRK-OAQYLSRUSA-N 1 0 495.672 3.514 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC[C@H](C)CC3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001313456425 1070395720 /nfs/dbraw/zinc/39/57/20/1070395720.db2.gz XFHNNEVQNZNBJF-OALUTQOASA-N 1 0 451.619 3.642 20 0 JHADRO C[NH+](C)Cc1ccc(CN2CCN(C(=O)CCCc3ccccc3)CC2)c2c1OC(F)(F)O2 ZINC001308595620 1070397423 /nfs/dbraw/zinc/39/74/23/1070397423.db2.gz ZGTYKEKFEIHYBV-UHFFFAOYSA-N 1 0 459.537 3.737 20 0 JHADRO CCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001314486521 1070398513 /nfs/dbraw/zinc/39/85/13/1070398513.db2.gz NSDZJGYSHIBFPP-FCHUYYIVSA-N 1 0 490.693 3.741 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001308603062 1070399725 /nfs/dbraw/zinc/39/97/25/1070399725.db2.gz FPPSWWLUWZYTPV-DYESRHJHSA-N 1 0 451.558 3.735 20 0 JHADRO C[NH+](C)Cc1ccc(CN2CCC(n3cc(Br)cn3)CC2)c2c1OC(F)(F)O2 ZINC001308622723 1070403995 /nfs/dbraw/zinc/40/39/95/1070403995.db2.gz GHJBCCBOCGEHBY-UHFFFAOYSA-N 1 0 457.319 3.866 20 0 JHADRO CC(C)(C)OC(=O)N1[C@H](C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)COC1(C)C ZINC001308627394 1070405760 /nfs/dbraw/zinc/40/57/60/1070405760.db2.gz JQSXLSHILXQZRG-LJQANCHMSA-N 1 0 450.555 3.784 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc3c(c2)CCO3)C[C@@H]1CC ZINC001314494161 1070409889 /nfs/dbraw/zinc/40/98/89/1070409889.db2.gz NUQHSCKPPZAXSK-QFIPXVFZSA-N 1 0 455.647 3.690 20 0 JHADRO CN(Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308663704 1070413344 /nfs/dbraw/zinc/41/33/44/1070413344.db2.gz STYQGIPFDDHSDZ-FCHUYYIVSA-N 1 0 454.619 3.556 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)C)n2Cc2nc(C(F)(F)F)cs2)C[C@H]1CC ZINC001314495372 1070413500 /nfs/dbraw/zinc/41/35/00/1070413500.db2.gz XGSYJMPKBWZXIQ-OAHLLOKOSA-N 1 0 460.570 3.862 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nnc(C)s2)C[C@@H]1CC ZINC001314496968 1070419726 /nfs/dbraw/zinc/41/97/26/1070419726.db2.gz PHTDJCZNNHUJJV-IBGZPJMESA-N 1 0 476.050 3.744 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2F)C[C@@H]1CC ZINC001314497543 1070420374 /nfs/dbraw/zinc/42/03/74/1070420374.db2.gz ARQOALHFYAZVTF-QHCPKHFHSA-N 1 0 483.636 3.573 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCSC2(C)C)C[C@@H]1CC ZINC001314497569 1070421333 /nfs/dbraw/zinc/42/13/33/1070421333.db2.gz BBQYVGBHDYIRDK-YADHBBJMSA-N 1 0 489.734 3.609 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001313463424 1070424522 /nfs/dbraw/zinc/42/45/22/1070424522.db2.gz CSMCXUAOWGCSFJ-HSZRJFAPSA-N 1 0 498.741 3.747 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(C3CC3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001313463775 1070425904 /nfs/dbraw/zinc/42/59/04/1070425904.db2.gz QRLWUVVDUVLLJZ-HSZRJFAPSA-N 1 0 452.647 3.787 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)c2ccccc2F)C[C@H]1CC ZINC001314500303 1070429774 /nfs/dbraw/zinc/42/97/74/1070429774.db2.gz IPIZPJMNOYVWAE-LEWJYISDSA-N 1 0 473.637 3.836 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC=CO2)C[C@@H]1CC ZINC001314500107 1070429870 /nfs/dbraw/zinc/42/98/70/1070429870.db2.gz QPQYOCBFUTZESQ-GOTSBHOMSA-N 1 0 457.594 3.638 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(C(C)(C)C)no2)C[C@@H]1CC ZINC001314500338 1070430595 /nfs/dbraw/zinc/43/05/95/1070430595.db2.gz UDFJBCYXLMWIEG-NRFANRHFSA-N 1 0 481.645 3.535 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2CC(C)(C)C[NH+](C)C)C1 ZINC001313466067 1070436605 /nfs/dbraw/zinc/43/66/05/1070436605.db2.gz JSZBIMZORAJHKU-OAQYLSRUSA-N 1 0 477.657 3.824 20 0 JHADRO CCOc1cc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)ccc1OCc1ccc(C(=O)OC)o1 ZINC001308797817 1070439692 /nfs/dbraw/zinc/43/96/92/1070439692.db2.gz JMADSNVYIBLMEX-YADARESESA-N 1 0 453.491 3.628 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CC[N@H+](C)C2CCCC2)C1 ZINC001313466867 1070441202 /nfs/dbraw/zinc/44/12/02/1070441202.db2.gz NWVIWOIRFYFDOJ-NRFANRHFSA-N 1 0 452.647 3.871 20 0 JHADRO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@H]3CCN(C(=O)OC(C)(C)C)C3(C)C)on2)C1 ZINC001308819038 1070442695 /nfs/dbraw/zinc/44/26/95/1070442695.db2.gz DJPSNDSYYYFMHX-SFHVURJKSA-N 1 0 450.580 3.887 20 0 JHADRO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001308839340 1070445145 /nfs/dbraw/zinc/44/51/45/1070445145.db2.gz CNJYXOQVMAMAMW-YSTOQKLRSA-N 1 0 481.678 3.732 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001314504737 1070445441 /nfs/dbraw/zinc/44/54/41/1070445441.db2.gz IEWAHQOFFMJTPP-UHFFFAOYSA-N 1 0 489.686 3.622 20 0 JHADRO COCO[C@@H](C)c1cc(F)c(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Br ZINC001308841835 1070445712 /nfs/dbraw/zinc/44/57/12/1070445712.db2.gz VGVNSSLUMJUVLQ-FUHWJXTLSA-N 1 0 459.400 3.956 20 0 JHADRO CC(C)(C)C(=O)N1CCC([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC001308841079 1070445974 /nfs/dbraw/zinc/44/59/74/1070445974.db2.gz OVVCTLUMRLENAP-UHFFFAOYSA-N 1 0 450.023 3.773 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001313468274 1070446690 /nfs/dbraw/zinc/44/66/90/1070446690.db2.gz KVMJRRMDRHLAKI-PKTZIBPZSA-N 1 0 495.716 3.745 20 0 JHADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001308885699 1070454320 /nfs/dbraw/zinc/45/43/20/1070454320.db2.gz FBQXGYNQTHCQFB-UHFFFAOYSA-N 1 0 450.914 3.642 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C[C@H]1c1ccc(O)cc1 ZINC001308887677 1070455085 /nfs/dbraw/zinc/45/50/85/1070455085.db2.gz YVWKOZDKCAAJHI-JKSUJKDBSA-N 1 0 462.369 3.995 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001313469795 1070455267 /nfs/dbraw/zinc/45/52/67/1070455267.db2.gz GYAFMUMGPAPNLH-UHFFFAOYSA-N 1 0 467.662 3.656 20 0 JHADRO CCOc1cc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC001308896905 1070456568 /nfs/dbraw/zinc/45/65/68/1070456568.db2.gz UNHWJIMAYLXIOY-PXDATVDWSA-N 1 0 467.518 3.668 20 0 JHADRO Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C2)cn1 ZINC001308907393 1070457392 /nfs/dbraw/zinc/45/73/92/1070457392.db2.gz WLMWEGAZHROKTN-ROUUACIJSA-N 1 0 450.624 3.718 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001314508642 1070458790 /nfs/dbraw/zinc/45/87/90/1070458790.db2.gz ATMJTJGHXSRLJQ-BGYRXZFFSA-N 1 0 488.702 3.500 20 0 JHADRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001308924159 1070459720 /nfs/dbraw/zinc/45/97/20/1070459720.db2.gz DPHLKXYEQJIEHD-FQEVSTJZSA-N 1 0 455.603 3.780 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001313472088 1070465082 /nfs/dbraw/zinc/46/50/82/1070465082.db2.gz UKZSKRMBVRHIDQ-HXUWFJFHSA-N 1 0 452.647 3.728 20 0 JHADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001308955734 1070465327 /nfs/dbraw/zinc/46/53/27/1070465327.db2.gz ZDODWQYHWVONJV-LJQANCHMSA-N 1 0 455.640 3.885 20 0 JHADRO COCC[C@@H](C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)NC(=O)OC(C)(C)C ZINC001308961157 1070466080 /nfs/dbraw/zinc/46/60/80/1070466080.db2.gz RBAGLWSVBCUWCL-RXVVDRJESA-N 1 0 457.409 3.662 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH+]2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC001308958153 1070466250 /nfs/dbraw/zinc/46/62/50/1070466250.db2.gz JZUPWNVERQHTTD-QHCPKHFHSA-N 1 0 451.633 3.551 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001313472385 1070466383 /nfs/dbraw/zinc/46/63/83/1070466383.db2.gz XZJFCRVIALQWDH-UHFFFAOYSA-N 1 0 482.673 3.818 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001313471544 1070462675 /nfs/dbraw/zinc/46/26/75/1070462675.db2.gz PBGQNXLRNCXALV-QFIPXVFZSA-N 1 0 454.663 3.972 20 0 JHADRO COC(=O)C1CC2(C1)C[N@H+](Cc1cn(-c3cccc(F)c3)nc1C)C[C@H]2C(=O)OC(C)(C)C ZINC001308937755 1070462706 /nfs/dbraw/zinc/46/27/06/1070462706.db2.gz XHCOLAAQSMCLFC-TUHXZXAOSA-N 1 0 457.546 3.663 20 0 JHADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC001308942384 1070463806 /nfs/dbraw/zinc/46/38/06/1070463806.db2.gz JRYIYZFEKLMUFB-KRWDZBQOSA-N 1 0 454.336 3.532 20 0 JHADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H](O)Cc1ccccc1F ZINC001308942385 1070463846 /nfs/dbraw/zinc/46/38/46/1070463846.db2.gz JRYIYZFEKLMUFB-QGZVFWFLSA-N 1 0 454.336 3.532 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(C[C@H](C[NH2+]Cc3cc(Cl)cc4c3OCC4)OC2=O)CC1 ZINC001308946784 1070464499 /nfs/dbraw/zinc/46/44/99/1070464499.db2.gz WSWKDYDIMKWDIJ-GOSISDBHSA-N 1 0 450.963 3.697 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001313473073 1070469423 /nfs/dbraw/zinc/46/94/23/1070469423.db2.gz PHSKHXKDCMRXEJ-XMMPIXPASA-N 1 0 482.673 3.990 20 0 JHADRO O=C(OCc1ccccc1)c1ccc(C[NH2+]Cc2cccc(S(=O)(=O)C(F)(F)F)c2)[nH]1 ZINC001308989206 1070471631 /nfs/dbraw/zinc/47/16/31/1070471631.db2.gz XXZANNGBNYEBNK-UHFFFAOYSA-N 1 0 452.454 3.955 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001314512878 1070476722 /nfs/dbraw/zinc/47/67/22/1070476722.db2.gz VHODZASJSFOBEU-UHFFFAOYSA-N 1 0 493.743 3.870 20 0 JHADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 ZINC001309013981 1070484988 /nfs/dbraw/zinc/48/49/88/1070484988.db2.gz NVPQNUYLGHGPAW-HSZRJFAPSA-N 1 0 452.580 3.695 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314515536 1070486747 /nfs/dbraw/zinc/48/67/47/1070486747.db2.gz HPBGTSWVKVEMRU-AXHZCLLHSA-N 1 0 479.666 3.854 20 0 JHADRO CC1CC[NH+](CCCNS(=O)(=O)c2cc(Br)cc(Br)c2)CC1 ZINC001309023107 1070489862 /nfs/dbraw/zinc/48/98/62/1070489862.db2.gz ISUZLPROIDRZPL-UHFFFAOYSA-N 1 0 454.228 3.612 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1CC[N@H+](C)C1CCCC1 ZINC001314518764 1070499809 /nfs/dbraw/zinc/49/98/09/1070499809.db2.gz RFGCNUWHLJAQDM-IBGZPJMESA-N 1 0 484.670 3.627 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314521386 1070507170 /nfs/dbraw/zinc/50/71/70/1070507170.db2.gz SIKHYNXFCDRHIG-OAQYLSRUSA-N 1 0 473.643 3.683 20 0 JHADRO CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313489587 1070509204 /nfs/dbraw/zinc/50/92/04/1070509204.db2.gz MZYIYBVKIRZDJR-GOSISDBHSA-N 1 0 458.676 3.578 20 0 JHADRO CCCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001313489856 1070509886 /nfs/dbraw/zinc/50/98/86/1070509886.db2.gz ZWQZJKPXXBIFES-QZTJIDSGSA-N 1 0 481.670 3.822 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001313490339 1070510985 /nfs/dbraw/zinc/51/09/85/1070510985.db2.gz WZGDBADQMHNZEQ-MRXNPFEDSA-N 1 0 495.853 3.562 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNS(=O)(=O)c3cscc3Br)cc2)C[C@@H](C)O1 ZINC001309055950 1070511449 /nfs/dbraw/zinc/51/14/49/1070511449.db2.gz RRCSNUIFDFUGKA-ZIAGYGMSSA-N 1 0 459.431 3.598 20 0 JHADRO C[C@H]1C[NH+](Cc2ccc(CNS(=O)(=O)c3cscc3Br)cc2)C[C@H](C)O1 ZINC001309055948 1070511492 /nfs/dbraw/zinc/51/14/92/1070511492.db2.gz RRCSNUIFDFUGKA-KBPBESRZSA-N 1 0 459.431 3.598 20 0 JHADRO CC[NH+]1CCN(Cc2ccc(CNS(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)cc2)CC1 ZINC001309057937 1070512867 /nfs/dbraw/zinc/51/28/67/1070512867.db2.gz KVKPGMGYZFHYGS-UHFFFAOYSA-N 1 0 455.546 3.630 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001314523661 1070515151 /nfs/dbraw/zinc/51/51/51/1070515151.db2.gz GDIFEPZJMHNMIU-HXUWFJFHSA-N 1 0 477.650 3.752 20 0 JHADRO Cc1cc2cc(S(=O)(=O)NCc3ccc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)ccc2[nH]c1=O ZINC001309064150 1070516968 /nfs/dbraw/zinc/51/69/68/1070516968.db2.gz QHUDNFHLZBZXPS-HDICACEKSA-N 1 0 453.608 3.793 20 0 JHADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2)C1 ZINC001309064908 1070518120 /nfs/dbraw/zinc/51/81/20/1070518120.db2.gz ZPZDCCQMVWBDHQ-SFTDATJTSA-N 1 0 452.624 3.888 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@H+](C)C1CCCCC1 ZINC001314525235 1070517395 /nfs/dbraw/zinc/51/73/95/1070517395.db2.gz HJDKRQGGNDVOPU-UHFFFAOYSA-N 1 0 472.659 3.562 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2)C1 ZINC001309064907 1070518267 /nfs/dbraw/zinc/51/82/67/1070518267.db2.gz ZPZDCCQMVWBDHQ-OYRHEFFESA-N 1 0 452.624 3.888 20 0 JHADRO CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4C)CC3)cc21 ZINC001309070952 1070522619 /nfs/dbraw/zinc/52/26/19/1070522619.db2.gz LASARUZMZXNUKM-IBGZPJMESA-N 1 0 455.624 3.798 20 0 JHADRO CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001314529712 1070523485 /nfs/dbraw/zinc/52/34/85/1070523485.db2.gz SFTKJXYHZFPCRA-FQEVSTJZSA-N 1 0 494.105 3.982 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001313501212 1070523827 /nfs/dbraw/zinc/52/38/27/1070523827.db2.gz COFHRCMYTXOACE-RTWAWAEBSA-N 1 0 498.672 3.530 20 0 JHADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)CC1 ZINC001309078392 1070526646 /nfs/dbraw/zinc/52/66/46/1070526646.db2.gz QWLMOTNRFMHHIR-UHFFFAOYSA-N 1 0 459.328 3.889 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001309091301 1070533971 /nfs/dbraw/zinc/53/39/71/1070533971.db2.gz MYVUYDRDEZQDAL-UHFFFAOYSA-N 1 0 451.308 3.619 20 0 JHADRO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c2ccccc2)CC1 ZINC001309088961 1070532228 /nfs/dbraw/zinc/53/22/28/1070532228.db2.gz YLOGKZPFBPJEHJ-IBGZPJMESA-N 1 0 457.518 3.774 20 0 JHADRO CCOC(=O)c1oc2ccc(S(=O)(=O)NCC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)cc2c1C ZINC001309100036 1070540084 /nfs/dbraw/zinc/54/00/84/1070540084.db2.gz KYUBMNIFDYKTNB-IYBDPMFKSA-N 1 0 450.601 3.953 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2nncn2CC)cc1OC ZINC001313504896 1070540384 /nfs/dbraw/zinc/54/03/84/1070540384.db2.gz HSPZKVCYIOUIRY-UHFFFAOYSA-N 1 0 496.660 3.713 20 0 JHADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001309100878 1070540706 /nfs/dbraw/zinc/54/07/06/1070540706.db2.gz QWADYUXKBYOSEL-STQMWFEESA-N 1 0 451.402 3.632 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC001313506098 1070546650 /nfs/dbraw/zinc/54/66/50/1070546650.db2.gz NEMFKVDLULTCNV-RBBKRZOGSA-N 1 0 498.672 3.530 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC001313506602 1070549487 /nfs/dbraw/zinc/54/94/87/1070549487.db2.gz XRKLELJRNBAUIL-HXUWFJFHSA-N 1 0 457.619 3.842 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCN(C(C)=O)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001313506949 1070551087 /nfs/dbraw/zinc/55/10/87/1070551087.db2.gz VCGRAIHBMPAHBM-OAQYLSRUSA-N 1 0 498.672 3.533 20 0 JHADRO CC[S@](=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001314562995 1070565068 /nfs/dbraw/zinc/56/50/68/1070565068.db2.gz GAIHEWTZKXSCNP-LJAQVGFWSA-N 1 0 482.492 3.705 20 0 JHADRO CC[S@](=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001314565356 1070570149 /nfs/dbraw/zinc/57/01/49/1070570149.db2.gz QDTRGZIUQBHFEG-ZOKDDAQRSA-N 1 0 494.503 3.787 20 0 JHADRO CC[S@](=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001314568881 1070573990 /nfs/dbraw/zinc/57/39/90/1070573990.db2.gz KXYUMYBCZIJBBP-KATKFWMUSA-N 1 0 475.678 3.725 20 0 JHADRO CC[S@](=O)CCn1c(Cc2ccccc2C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001314569058 1070574391 /nfs/dbraw/zinc/57/43/91/1070574391.db2.gz MHVDVFAVFSCJJN-YTTGMZPUSA-N 1 0 457.688 3.648 20 0 JHADRO CCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001313515822 1070574747 /nfs/dbraw/zinc/57/47/47/1070574747.db2.gz MYTYTTDZHLNLAD-JOCHJYFZSA-N 1 0 497.688 3.597 20 0 JHADRO CC[S@](=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314571102 1070577166 /nfs/dbraw/zinc/57/71/66/1070577166.db2.gz KUZHEVROWXIBFF-NBLPZQPVSA-N 1 0 466.655 3.518 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001313521956 1070590113 /nfs/dbraw/zinc/59/01/13/1070590113.db2.gz QNGIOHKTHVWEQY-VXKWHMMOSA-N 1 0 489.686 3.618 20 0 JHADRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)CCOCC1)c1ccccc1 ZINC001309183083 1070590271 /nfs/dbraw/zinc/59/02/71/1070590271.db2.gz ISPTVQZBRBEBKK-OAHLLOKOSA-N 1 0 458.502 3.605 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001313521954 1070590186 /nfs/dbraw/zinc/59/01/86/1070590186.db2.gz QNGIOHKTHVWEQY-FCHUYYIVSA-N 1 0 489.686 3.618 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001313525761 1070599477 /nfs/dbraw/zinc/59/94/77/1070599477.db2.gz LIGNSAUACFKLDU-OAQYLSRUSA-N 1 0 483.661 3.833 20 0 JHADRO CCSc1cc(Cn2c(C(C)C)nnc2N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccn1 ZINC001314582801 1070597252 /nfs/dbraw/zinc/59/72/52/1070597252.db2.gz GPTXSGFCQOTFNV-NRFANRHFSA-N 1 0 457.692 3.562 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001313525112 1070597947 /nfs/dbraw/zinc/59/79/47/1070597947.db2.gz ZYAWOUYUHMYREZ-FCHUYYIVSA-N 1 0 452.603 3.945 20 0 JHADRO CCSc1cc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccn1 ZINC001314583491 1070598385 /nfs/dbraw/zinc/59/83/85/1070598385.db2.gz LCPNUUPTWAVMHT-NRFANRHFSA-N 1 0 472.703 3.971 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3noc4c3COCC4)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001313525467 1070598877 /nfs/dbraw/zinc/59/88/77/1070598877.db2.gz GPYSXESSDHSFEO-FQEVSTJZSA-N 1 0 474.650 3.910 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001313526618 1070601274 /nfs/dbraw/zinc/60/12/74/1070601274.db2.gz PRUACBVICHCJRB-YADHBBJMSA-N 1 0 456.635 3.505 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001313526611 1070601365 /nfs/dbraw/zinc/60/13/65/1070601365.db2.gz PRUACBVICHCJRB-FGZHOGPDSA-N 1 0 456.635 3.505 20 0 JHADRO CCS[C@H]1CC[C@H](N(C)c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCC2)C1 ZINC001314587403 1070610954 /nfs/dbraw/zinc/61/09/54/1070610954.db2.gz AMONFPFXTJUNSA-OALUTQOASA-N 1 0 457.648 3.522 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314588105 1070612291 /nfs/dbraw/zinc/61/22/91/1070612291.db2.gz IJGYRSPCALQRKA-VAMGGRTRSA-N 1 0 450.697 3.791 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001314589256 1070615485 /nfs/dbraw/zinc/61/54/85/1070615485.db2.gz PSRZJXZOVJLBGP-FCHUYYIVSA-N 1 0 470.687 3.734 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cnccn3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001314592566 1070625252 /nfs/dbraw/zinc/62/52/52/1070625252.db2.gz AFBUWVALUBQAKW-NHCUHLMSSA-N 1 0 451.644 3.955 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001314593312 1070628127 /nfs/dbraw/zinc/62/81/27/1070628127.db2.gz GODYFXLCSSAOEF-SSSFQFABSA-N 1 0 465.708 3.780 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(CN3CCCC3=O)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001314594511 1070631184 /nfs/dbraw/zinc/63/11/84/1070631184.db2.gz JKKSODSSHZTWCT-BHDDXSALSA-N 1 0 488.677 3.953 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(CC(C)C)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001313544873 1070647249 /nfs/dbraw/zinc/64/72/49/1070647249.db2.gz HMWAEINACJHWEF-OAQYLSRUSA-N 1 0 492.709 3.671 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(CCCc3ccccc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001314599632 1070647999 /nfs/dbraw/zinc/64/79/99/1070647999.db2.gz WEOKUXGXVXRJGA-FBLLAGFSSA-N 1 0 457.688 3.630 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001313546807 1070656728 /nfs/dbraw/zinc/65/67/28/1070656728.db2.gz SUYAMLUDLHZYJE-HXUWFJFHSA-N 1 0 485.677 3.876 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001314603422 1070657869 /nfs/dbraw/zinc/65/78/69/1070657869.db2.gz CSXWULGUQNNKNW-FYYLOGMGSA-N 1 0 472.703 3.877 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(CC(C)C)n2C[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001314603711 1070658693 /nfs/dbraw/zinc/65/86/93/1070658693.db2.gz MLYUBJLHYCSXGF-FGZHOGPDSA-N 1 0 450.741 3.862 20 0 JHADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001309283951 1070668453 /nfs/dbraw/zinc/66/84/53/1070668453.db2.gz IOEWAMZODMZUMD-UHFFFAOYSA-N 1 0 456.534 3.558 20 0 JHADRO Cc1cc(Cl)c(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)c(Br)c1 ZINC001309277368 1070664203 /nfs/dbraw/zinc/66/42/03/1070664203.db2.gz HPAGZXIJBLFCET-UHFFFAOYSA-N 1 0 453.830 3.579 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001313549115 1070664246 /nfs/dbraw/zinc/66/42/46/1070664246.db2.gz WITVJWUXVUMCFI-QFIPXVFZSA-N 1 0 452.647 3.786 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc([C@H]3CCCO3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001314607070 1070665556 /nfs/dbraw/zinc/66/55/56/1070665556.db2.gz JKNWUZCRCBSDBY-FCHUYYIVSA-N 1 0 464.724 3.515 20 0 JHADRO CCSCC[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001314610211 1070673052 /nfs/dbraw/zinc/67/30/52/1070673052.db2.gz PEOQJTJKSHSXNV-RTBURBONSA-N 1 0 480.748 3.559 20 0 JHADRO CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001313569498 1070683270 /nfs/dbraw/zinc/68/32/70/1070683270.db2.gz OXXAZLIYOUOUGD-NHCUHLMSSA-N 1 0 472.634 3.654 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C)s2)c1 ZINC001313575545 1070691360 /nfs/dbraw/zinc/69/13/60/1070691360.db2.gz QKJICXJCBPAXNO-OAQYLSRUSA-N 1 0 487.695 3.687 20 0 JHADRO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC001313580694 1070700369 /nfs/dbraw/zinc/70/03/69/1070700369.db2.gz AVXKFMZBWYNWQY-MOPGFXCFSA-N 1 0 475.707 3.902 20 0 JHADRO CCSCCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001314618251 1070691640 /nfs/dbraw/zinc/69/16/40/1070691640.db2.gz RKEKAEJMQOSEEW-MOPGFXCFSA-N 1 0 483.686 3.737 20 0 JHADRO CCSCCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001314618253 1070691678 /nfs/dbraw/zinc/69/16/78/1070691678.db2.gz RKEKAEJMQOSEEW-RBUKOAKNSA-N 1 0 483.686 3.737 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)C)nnc2N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)c1 ZINC001313575878 1070692039 /nfs/dbraw/zinc/69/20/39/1070692039.db2.gz VFLPCSVXHHOHHX-XMMPIXPASA-N 1 0 481.689 3.559 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)[C@@H]2CCOC2)c1 ZINC001313575851 1070692055 /nfs/dbraw/zinc/69/20/55/1070692055.db2.gz UECLDBAZKFMEFP-XPWALMASSA-N 1 0 498.672 3.774 20 0 JHADRO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[NH+]1CCCCC1)[C@@H](C)C1CCC1 ZINC001313582489 1070704028 /nfs/dbraw/zinc/70/40/28/1070704028.db2.gz QBLKJQKWENEPNN-FQEVSTJZSA-N 1 0 488.702 3.696 20 0 JHADRO CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001313583840 1070707258 /nfs/dbraw/zinc/70/72/58/1070707258.db2.gz WQXHDVIHBCCDPI-GASCZTMLSA-N 1 0 451.413 3.524 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CCCc3ccccc3)n2CC[NH+]2CCCC2)C1 ZINC001314624744 1070710536 /nfs/dbraw/zinc/71/05/36/1070710536.db2.gz IEXBCKQGKVHJME-QHCPKHFHSA-N 1 0 482.673 3.995 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313588237 1070715558 /nfs/dbraw/zinc/71/55/58/1070715558.db2.gz RWJWYJWAYQUJPE-VQTJNVASSA-N 1 0 480.078 3.732 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001314629074 1070725805 /nfs/dbraw/zinc/72/58/05/1070725805.db2.gz VAVIQXYZWSFPJA-UHFFFAOYSA-N 1 0 488.080 3.953 20 0 JHADRO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CCCCC1 ZINC001313603066 1070726532 /nfs/dbraw/zinc/72/65/32/1070726532.db2.gz FABSGFVSNZVBFQ-REHUZNOOSA-N 1 0 465.708 3.850 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N(C)[C@H]2CCc3ccccc32)nnc1C(C)(C)C ZINC001314629419 1070727150 /nfs/dbraw/zinc/72/71/50/1070727150.db2.gz PDFNGTDOWWWWSB-FCHUYYIVSA-N 1 0 452.647 3.642 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(CC(C)(C)C)nnc1Nc1cnn(CC2CCC2)c1 ZINC001314629731 1070728909 /nfs/dbraw/zinc/72/89/09/1070728909.db2.gz SREVYMZIGRFQHB-NRFANRHFSA-N 1 0 470.666 3.550 20 0 JHADRO CCCC[C@@H](NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1)C(=O)OC ZINC001309377906 1070734223 /nfs/dbraw/zinc/73/42/23/1070734223.db2.gz KEHTWGXVUHDOLA-RBZQAINGSA-N 1 0 458.624 3.614 20 0 JHADRO O=C(Nc1ccccc1S(=O)(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C(F)(F)F ZINC001309402840 1070748727 /nfs/dbraw/zinc/74/87/27/1070748727.db2.gz LYZOLCOULJGHBC-SFHVURJKSA-N 1 0 455.502 3.693 20 0 JHADRO CCN(c1nnc(Cn2nc(C)cc2C)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H](C)C1CCC1 ZINC001313617604 1070741463 /nfs/dbraw/zinc/74/14/63/1070741463.db2.gz NOYQHBGTIFGYRF-FDFHNCONSA-N 1 0 457.667 3.654 20 0 JHADRO CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313617547 1070741494 /nfs/dbraw/zinc/74/14/94/1070741494.db2.gz BPOCQMQDJWARQY-GOSISDBHSA-N 1 0 498.118 3.722 20 0 JHADRO CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CC[NH+](C(C)C)CC1)C1CC1 ZINC001313620246 1070746754 /nfs/dbraw/zinc/74/67/54/1070746754.db2.gz SQUCGBLHTUEGNL-FQEVSTJZSA-N 1 0 476.666 3.574 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001314647627 1070750749 /nfs/dbraw/zinc/75/07/49/1070750749.db2.gz BCUYALOIWWDDJK-RTWAWAEBSA-N 1 0 454.619 3.952 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1cccc(F)c1 ZINC001314648476 1070752575 /nfs/dbraw/zinc/75/25/75/1070752575.db2.gz GCOORLSKQCBLQB-IFMALSPDSA-N 1 0 481.620 3.846 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001314648663 1070753190 /nfs/dbraw/zinc/75/31/90/1070753190.db2.gz MRGFRLYIIQXSOG-WOJBJXKFSA-N 1 0 466.586 3.944 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)C1CCCCC1 ZINC001314649561 1070756118 /nfs/dbraw/zinc/75/61/18/1070756118.db2.gz WXIQOAMTGVQYMH-FQEVSTJZSA-N 1 0 497.585 3.873 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[N@@H+]1CC ZINC001313627076 1070756177 /nfs/dbraw/zinc/75/61/77/1070756177.db2.gz ICHWNMPMDHDXHR-LJQANCHMSA-N 1 0 461.680 3.513 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1)c1ccc(F)cc1 ZINC001314649768 1070756958 /nfs/dbraw/zinc/75/69/58/1070756958.db2.gz DJSOYCMAXUMMSL-RTWAWAEBSA-N 1 0 456.610 3.510 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1cccs1 ZINC001314650713 1070759371 /nfs/dbraw/zinc/75/93/71/1070759371.db2.gz LLMVBRHZZFOPOP-XUVXKRRUSA-N 1 0 488.702 3.525 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314650650 1070759528 /nfs/dbraw/zinc/75/95/28/1070759528.db2.gz KUXYTMGTZYSODN-GUDVDZBRSA-N 1 0 490.674 3.640 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(F)(F)CC1)c1ccccc1 ZINC001314653697 1070766562 /nfs/dbraw/zinc/76/65/62/1070766562.db2.gz GUBYOOLEXBEEAA-SFHVURJKSA-N 1 0 474.581 3.808 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSC(C)(C)C1)C1CC1 ZINC001314651441 1070760727 /nfs/dbraw/zinc/76/07/27/1070760727.db2.gz BZULZGJNQASUPV-CEXWTWQISA-N 1 0 478.707 3.721 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(F)(F)F)CC1)c1ccco1 ZINC001314653671 1070766655 /nfs/dbraw/zinc/76/66/55/1070766655.db2.gz GRHAHCHHCNERSW-INIZCTEOSA-N 1 0 496.559 3.944 20 0 JHADRO C[NH+](C)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCSC(C)(C)C2)CCCCC1 ZINC001314653711 1070766761 /nfs/dbraw/zinc/76/67/61/1070766761.db2.gz ODVUBLOXWDFLFR-UHFFFAOYSA-N 1 0 457.648 3.522 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314652048 1070762339 /nfs/dbraw/zinc/76/23/39/1070762339.db2.gz CCTRDTJBVWWHJZ-FCHUYYIVSA-N 1 0 486.636 3.626 20 0 JHADRO CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCSC1 ZINC001314652139 1070762543 /nfs/dbraw/zinc/76/25/43/1070762543.db2.gz DNIXOHPAYHULHW-OALUTQOASA-N 1 0 488.658 3.653 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccsc1 ZINC001314652596 1070763546 /nfs/dbraw/zinc/76/35/46/1070763546.db2.gz VQEMXVZFRPMGAU-PMACEKPBSA-N 1 0 490.674 3.941 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccco1 ZINC001314652742 1070764239 /nfs/dbraw/zinc/76/42/39/1070764239.db2.gz WKVFSZKGLVAJKX-KZNAEPCWSA-N 1 0 471.524 3.616 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1C(C)(C)C)c1cccc(F)c1 ZINC001314653875 1070767087 /nfs/dbraw/zinc/76/70/87/1070767087.db2.gz HZNFXECPYNRINX-IBGZPJMESA-N 1 0 498.569 3.913 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CCCCC1 ZINC001314656681 1070775558 /nfs/dbraw/zinc/77/55/58/1070775558.db2.gz NCMILMBVHALNJE-QGZVFWFLSA-N 1 0 467.540 3.547 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C2CCCC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001313634742 1070767632 /nfs/dbraw/zinc/76/76/32/1070767632.db2.gz HOVRVQXJPGXIDF-URXFXBBRSA-N 1 0 455.647 3.772 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCSC(C)(C)C2)CCC1 ZINC001314654043 1070767743 /nfs/dbraw/zinc/76/77/43/1070767743.db2.gz UWSXBRSVOVKCNW-UHFFFAOYSA-N 1 0 453.454 3.852 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001313634806 1070768125 /nfs/dbraw/zinc/76/81/25/1070768125.db2.gz BKNQNZBFAZGUHV-FGZHOGPDSA-N 1 0 496.681 3.747 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C(F)(F)F)CC1)c1ccsc1 ZINC001314654655 1070769756 /nfs/dbraw/zinc/76/97/56/1070769756.db2.gz KVGZKHQVBQAIND-QGZVFWFLSA-N 1 0 470.565 3.544 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC2CC2)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001314655032 1070770796 /nfs/dbraw/zinc/77/07/96/1070770796.db2.gz MBQAGJLWPXYDRO-HXUWFJFHSA-N 1 0 450.553 3.608 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)C1CCCCC1 ZINC001314655234 1070771651 /nfs/dbraw/zinc/77/16/51/1070771651.db2.gz NPKNFZSACVZANT-OFVILXPXSA-N 1 0 489.064 3.723 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001313636088 1070771656 /nfs/dbraw/zinc/77/16/56/1070771656.db2.gz JXIPBFLLQNWENX-JOCHJYFZSA-N 1 0 474.694 3.521 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001313636092 1070771798 /nfs/dbraw/zinc/77/17/98/1070771798.db2.gz JXIPBFLLQNWENX-QFIPXVFZSA-N 1 0 474.694 3.521 20 0 JHADRO C[NH+](C)C1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCCOCC2)CCCCC1 ZINC001314655581 1070772834 /nfs/dbraw/zinc/77/28/34/1070772834.db2.gz BMTJXELATGTPAL-UHFFFAOYSA-N 1 0 490.693 3.884 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(C3CCCC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CCSC1 ZINC001314655687 1070773330 /nfs/dbraw/zinc/77/33/30/1070773330.db2.gz DAIILDKHZXBOCA-RTWAWAEBSA-N 1 0 475.625 3.903 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(C3CCCC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CCSC1 ZINC001314655684 1070773508 /nfs/dbraw/zinc/77/35/08/1070773508.db2.gz DAIILDKHZXBOCA-NHCUHLMSSA-N 1 0 475.625 3.903 20 0 JHADRO Cc1ccc([C@H](O)CNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)cc1 ZINC001309443847 1070774326 /nfs/dbraw/zinc/77/43/26/1070774326.db2.gz DHTHXBZOCHBIQH-OYUWMTPXSA-N 1 0 464.631 3.924 20 0 JHADRO C[NH+](C)C1(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CCC1 ZINC001314659388 1070781566 /nfs/dbraw/zinc/78/15/66/1070781566.db2.gz NMIHMXQETACJGP-FQEVSTJZSA-N 1 0 471.625 3.891 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](Cc3ccccc3)C2)CCSC1 ZINC001314659843 1070782865 /nfs/dbraw/zinc/78/28/65/1070782865.db2.gz QUVYRMFGLDTDQJ-PXDATVDWSA-N 1 0 457.688 3.752 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001314662371 1070789470 /nfs/dbraw/zinc/78/94/70/1070789470.db2.gz AMPYHMRWAAIENB-HXUWFJFHSA-N 1 0 459.038 3.778 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001314662541 1070789854 /nfs/dbraw/zinc/78/98/54/1070789854.db2.gz HFXLUEKWIKJJLJ-VQTJNVASSA-N 1 0 492.462 3.680 20 0 JHADRO CN(C)c1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC001314663315 1070791109 /nfs/dbraw/zinc/79/11/09/1070791109.db2.gz SJRLDAQUDYCEFL-QFIPXVFZSA-N 1 0 454.663 3.530 20 0 JHADRO CN(Cc1ccon1)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)C[NH+](C)C ZINC001314663424 1070791745 /nfs/dbraw/zinc/79/17/45/1070791745.db2.gz VOVQQPJMEDBXBR-UHFFFAOYSA-N 1 0 453.410 3.981 20 0 JHADRO Cn1cc(Nc2nnc(-c3cc(Br)cn3C)n2Cc2cccc(C[NH+](C)C)c2)cn1 ZINC001314667165 1070800890 /nfs/dbraw/zinc/80/08/90/1070800890.db2.gz HVXYSGYBLFYGSZ-UHFFFAOYSA-N 1 0 469.391 3.633 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001314665652 1070797619 /nfs/dbraw/zinc/79/76/19/1070797619.db2.gz HIMMOERTABYDMN-UHFFFAOYSA-N 1 0 460.070 3.974 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001314666304 1070799022 /nfs/dbraw/zinc/79/90/22/1070799022.db2.gz SECMKJMYSBIOML-IBGZPJMESA-N 1 0 490.578 3.909 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncnc3sccc32)CC1 ZINC001314666550 1070799438 /nfs/dbraw/zinc/79/94/38/1070799438.db2.gz WPAOOCVLHLJADH-UHFFFAOYSA-N 1 0 470.691 3.786 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC001314666895 1070800200 /nfs/dbraw/zinc/80/02/00/1070800200.db2.gz AOCMAQOSDOFQEM-UHFFFAOYSA-N 1 0 454.663 3.671 20 0 JHADRO C[C@@H]1CSC[C@@H]1NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309486741 1070802421 /nfs/dbraw/zinc/80/24/21/1070802421.db2.gz WGTAZBHLOSBVRC-YPVJZLTNSA-N 1 0 451.057 3.979 20 0 JHADRO CN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC001314668514 1070804904 /nfs/dbraw/zinc/80/49/04/1070804904.db2.gz JAEOPHCLFVJURL-OAQYLSRUSA-N 1 0 498.672 3.980 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)c1 ZINC001314668696 1070805468 /nfs/dbraw/zinc/80/54/68/1070805468.db2.gz LQJPEHNEHAANBB-LADGPHEKSA-N 1 0 485.673 3.945 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001314668613 1070805539 /nfs/dbraw/zinc/80/55/39/1070805539.db2.gz SXHAPPJRDVTQRZ-HXUWFJFHSA-N 1 0 483.661 3.550 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(Cc3cccnc3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001314669391 1070807561 /nfs/dbraw/zinc/80/75/61/1070807561.db2.gz DSGILSDDKCTJGC-UHFFFAOYSA-N 1 0 465.690 3.720 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001314669973 1070810578 /nfs/dbraw/zinc/81/05/78/1070810578.db2.gz HVMCHEDJRFOQTB-CALCHBBNSA-N 1 0 466.399 3.517 20 0 JHADRO Cn1ccc(Nc2nnc(-c3cc(Br)cn3C)n2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC001314670097 1070810639 /nfs/dbraw/zinc/81/06/39/1070810639.db2.gz BPUBORYYCMTWHW-UHFFFAOYSA-N 1 0 499.417 3.512 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001314670331 1070811122 /nfs/dbraw/zinc/81/11/22/1070811122.db2.gz KCBGDRCSFPBYHY-LJQANCHMSA-N 1 0 491.080 3.555 20 0 JHADRO C[NH+](C)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001314673086 1070819104 /nfs/dbraw/zinc/81/91/04/1070819104.db2.gz WRUMXNAVSOVTNH-RBZQAINGSA-N 1 0 469.674 3.844 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001309512976 1070820863 /nfs/dbraw/zinc/82/08/63/1070820863.db2.gz JBBZBDFDVJRDEB-UHFFFAOYSA-N 1 0 455.502 3.607 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001313650277 1070822191 /nfs/dbraw/zinc/82/21/91/1070822191.db2.gz KLNKQXUXWSCDGQ-JOCHJYFZSA-N 1 0 477.698 3.612 20 0 JHADRO Cc1ccc(N)cc1S(=O)(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001309524323 1070826637 /nfs/dbraw/zinc/82/66/37/1070826637.db2.gz KPHYWKZPNGGGBZ-DEOSSOPVSA-N 1 0 450.608 3.828 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001313652950 1070831181 /nfs/dbraw/zinc/83/11/81/1070831181.db2.gz JNUYRGDQMVVDPY-UHFFFAOYSA-N 1 0 470.666 3.513 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313653548 1070833772 /nfs/dbraw/zinc/83/37/72/1070833772.db2.gz BAQRHDKWYZMQNT-QFIPXVFZSA-N 1 0 467.662 3.793 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001313654779 1070840392 /nfs/dbraw/zinc/84/03/92/1070840392.db2.gz FGXFAYVMICUEAY-UHFFFAOYSA-N 1 0 497.688 3.624 20 0 JHADRO CN(c1nnc(-c2ccc[nH]2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314685858 1070842955 /nfs/dbraw/zinc/84/29/55/1070842955.db2.gz WDQOGKZILURORD-VTLMBFNKSA-N 1 0 468.671 3.921 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001313656758 1070851681 /nfs/dbraw/zinc/85/16/81/1070851681.db2.gz LFXFMIGJEJDSCA-DBXWQHBBSA-N 1 0 498.093 3.815 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001313656875 1070852674 /nfs/dbraw/zinc/85/26/74/1070852674.db2.gz HDKLTWRDKKHFNW-RDJZCZTQSA-N 1 0 465.429 3.793 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001313657999 1070858284 /nfs/dbraw/zinc/85/82/84/1070858284.db2.gz AWJRHMWTBDFVLL-HTAPYJJXSA-N 1 0 456.541 3.927 20 0 JHADRO O=S(=O)(Cc1ncsc1Br)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001309561321 1070858515 /nfs/dbraw/zinc/85/85/15/1070858515.db2.gz GXLPCLXNEVZANM-INIZCTEOSA-N 1 0 458.447 3.627 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001313658111 1070858943 /nfs/dbraw/zinc/85/89/43/1070858943.db2.gz XIVOCLRSEJKSOI-PXNSSMCTSA-N 1 0 487.450 3.871 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001313658851 1070860933 /nfs/dbraw/zinc/86/09/33/1070860933.db2.gz CVMAVUQGPMNYPF-MJGOQNOKSA-N 1 0 497.562 3.994 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313659108 1070861423 /nfs/dbraw/zinc/86/14/23/1070861423.db2.gz IKNXUXLNJBESBC-IBGZPJMESA-N 1 0 465.646 3.520 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001313659093 1070861499 /nfs/dbraw/zinc/86/14/99/1070861499.db2.gz IDZUTVBQMCSOLO-FQEVSTJZSA-N 1 0 466.605 3.784 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313659236 1070862423 /nfs/dbraw/zinc/86/24/23/1070862423.db2.gz WSFJSDROMZSMTK-LSDHHAIUSA-N 1 0 497.869 3.793 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001313659295 1070862540 /nfs/dbraw/zinc/86/25/40/1070862540.db2.gz XVDGROYUOGQWSZ-AWEZNQCLSA-N 1 0 463.508 3.948 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001313660243 1070864713 /nfs/dbraw/zinc/86/47/13/1070864713.db2.gz PBWSTDSGMDXNCY-SFHVURJKSA-N 1 0 480.579 3.879 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@](C)(OC)C1)c1ccccc1 ZINC001313663340 1070871645 /nfs/dbraw/zinc/87/16/45/1070871645.db2.gz COWSHKLCFHZZIG-BWKNWUBXSA-N 1 0 456.635 3.505 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 ZINC001313661335 1070868050 /nfs/dbraw/zinc/86/80/50/1070868050.db2.gz DXIBBWNCCYUJTM-GOSISDBHSA-N 1 0 470.021 3.607 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCCCCC1 ZINC001313661358 1070868189 /nfs/dbraw/zinc/86/81/89/1070868189.db2.gz FJFWUCWUSSFXBT-LJQANCHMSA-N 1 0 461.680 3.739 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCSC2(CCOCC2)C1 ZINC001313661779 1070868875 /nfs/dbraw/zinc/86/88/75/1070868875.db2.gz ZKFQJUJACVSTKO-QGZVFWFLSA-N 1 0 465.067 3.826 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313661729 1070868967 /nfs/dbraw/zinc/86/89/67/1070868967.db2.gz YQEPSUMBZXFKTB-GUXCAODWSA-N 1 0 485.551 3.849 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001313661893 1070869480 /nfs/dbraw/zinc/86/94/80/1070869480.db2.gz KHBJJEFKVHPOAK-DLBZAZTESA-N 1 0 454.575 3.639 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001313663443 1070872244 /nfs/dbraw/zinc/87/22/44/1070872244.db2.gz IRLANOKFBJFUIY-UNMCSNQZSA-N 1 0 483.661 3.809 20 0 JHADRO CN(c1nnc([C@H]2CCCO2)n1CCCOC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314703886 1070871365 /nfs/dbraw/zinc/87/13/65/1070871365.db2.gz HRXTTWPKMYOJSJ-RBUKOAKNSA-N 1 0 453.509 3.767 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCC(C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC001313663499 1070872330 /nfs/dbraw/zinc/87/23/30/1070872330.db2.gz DRMYRUGUJAUVIH-XMMPIXPASA-N 1 0 452.647 3.899 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313663660 1070872731 /nfs/dbraw/zinc/87/27/31/1070872731.db2.gz KOPWKYNUSKXXGC-PZJWPPBQSA-N 1 0 456.635 3.594 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001313663607 1070872839 /nfs/dbraw/zinc/87/28/39/1070872839.db2.gz JPAKHDVMAYOWJT-HXUWFJFHSA-N 1 0 470.637 3.696 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC001313663806 1070874253 /nfs/dbraw/zinc/87/42/53/1070874253.db2.gz ICQGPKCGVIHANY-PKTZIBPZSA-N 1 0 451.619 3.587 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314706605 1070875958 /nfs/dbraw/zinc/87/59/58/1070875958.db2.gz DQCGOBGETHQKJL-UHFFFAOYSA-N 1 0 497.732 3.620 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313664798 1070878072 /nfs/dbraw/zinc/87/80/72/1070878072.db2.gz OMZAQSGFQRRRPD-SFTDATJTSA-N 1 0 464.655 3.555 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314707750 1070878736 /nfs/dbraw/zinc/87/87/36/1070878736.db2.gz CRIZVXKZTXUPSX-FQEVSTJZSA-N 1 0 485.564 3.991 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2cccnc2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001314708972 1070883055 /nfs/dbraw/zinc/88/30/55/1070883055.db2.gz NCSKVLGPEBNMOY-UHFFFAOYSA-N 1 0 489.668 3.649 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccsc1 ZINC001313666254 1070883338 /nfs/dbraw/zinc/88/33/38/1070883338.db2.gz VKCCBIGLNRFIRI-RTWAWAEBSA-N 1 0 488.702 3.910 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](OC)C(C)(C)C1)c1ccsc1 ZINC001313666468 1070883895 /nfs/dbraw/zinc/88/38/95/1070883895.db2.gz XEPSLADIHAYEAQ-UXHICEINSA-N 1 0 497.669 3.931 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(C)c3ccccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313666567 1070884475 /nfs/dbraw/zinc/88/44/75/1070884475.db2.gz HBSINPZISRKJBQ-QFQXNSOFSA-N 1 0 470.662 3.505 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001313666458 1070885177 /nfs/dbraw/zinc/88/51/77/1070885177.db2.gz GAYAHPYEFOKWFT-UWVAXJGDSA-N 1 0 477.078 3.669 20 0 JHADRO COC(=O)C(C)(C)c1ccc(S(=O)(=O)N(C(C)C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001309615569 1070886009 /nfs/dbraw/zinc/88/60/09/1070886009.db2.gz JXNYDFMSKNNKQX-QFIPXVFZSA-N 1 0 458.624 3.811 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001313667301 1070888709 /nfs/dbraw/zinc/88/87/09/1070888709.db2.gz KUKOTBQCLVHEEM-FQEVSTJZSA-N 1 0 464.614 3.868 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001313667368 1070888832 /nfs/dbraw/zinc/88/88/32/1070888832.db2.gz WZCZRMYETPNCGZ-URXFXBBRSA-N 1 0 482.673 3.957 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001313668487 1070892073 /nfs/dbraw/zinc/89/20/73/1070892073.db2.gz QMMSOIIAJKFOQG-NCYKPQTJSA-N 1 0 478.682 3.799 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001313668484 1070892253 /nfs/dbraw/zinc/89/22/53/1070892253.db2.gz QMMSOIIAJKFOQG-BQJUDKOJSA-N 1 0 478.682 3.799 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313668939 1070893723 /nfs/dbraw/zinc/89/37/23/1070893723.db2.gz SXHBICDPUZENCW-GOSISDBHSA-N 1 0 492.615 3.935 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001313669180 1070894132 /nfs/dbraw/zinc/89/41/32/1070894132.db2.gz TXQWONSRCDUURG-NJYVYQBISA-N 1 0 457.619 3.601 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313669302 1070894330 /nfs/dbraw/zinc/89/43/30/1070894330.db2.gz VVDFEQVOJPNPPR-JTHBVZDNSA-N 1 0 454.663 3.649 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001313669324 1070894838 /nfs/dbraw/zinc/89/48/38/1070894838.db2.gz VZXLVXJMZIWVGB-IBGZPJMESA-N 1 0 471.650 3.517 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C(C)C)C1)c1ccsc1 ZINC001313671394 1070899425 /nfs/dbraw/zinc/89/94/25/1070899425.db2.gz IJKXLVKJGMUJTB-SFTDATJTSA-N 1 0 455.632 3.741 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 ZINC001313671286 1070899741 /nfs/dbraw/zinc/89/97/41/1070899741.db2.gz GXKUPRGLORXAJP-QLBJFCOMSA-N 1 0 482.673 3.955 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCSC(C)(C)C1)c1ccccc1 ZINC001313670823 1070898124 /nfs/dbraw/zinc/89/81/24/1070898124.db2.gz CIRHRQGTDRWMEI-PMACEKPBSA-N 1 0 456.660 3.644 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(C)=O)C1)c1ccco1 ZINC001313671615 1070900328 /nfs/dbraw/zinc/90/03/28/1070900328.db2.gz ATLWGIIBMZQZMC-VQTJNVASSA-N 1 0 454.575 3.628 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccsc1 ZINC001313672443 1070903841 /nfs/dbraw/zinc/90/38/41/1070903841.db2.gz OCSFCNNCGUFKEZ-DENIHFKCSA-N 1 0 496.685 3.573 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 ZINC001313674234 1070910477 /nfs/dbraw/zinc/91/04/77/1070910477.db2.gz NTCMKIVVZNVVNT-RUZDIDTESA-N 1 0 475.641 3.870 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)c1ccccc1 ZINC001313673282 1070907069 /nfs/dbraw/zinc/90/70/69/1070907069.db2.gz DOJBBKUEEYMMOY-OEMFJLHTSA-N 1 0 468.646 3.517 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCC[NH+]1CCCC1 ZINC001314716759 1070907653 /nfs/dbraw/zinc/90/76/53/1070907653.db2.gz HZJNQJYSAKPQNJ-UHFFFAOYSA-N 1 0 473.565 3.613 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314717210 1070908334 /nfs/dbraw/zinc/90/83/34/1070908334.db2.gz GGXWNVWNNDKXNY-INIZCTEOSA-N 1 0 463.508 3.713 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001313674719 1070913425 /nfs/dbraw/zinc/91/34/25/1070913425.db2.gz WHVKHPLPQQUUCF-LOYIFYEOSA-N 1 0 482.673 3.954 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001313674721 1070913663 /nfs/dbraw/zinc/91/36/63/1070913663.db2.gz WHVKHPLPQQUUCF-VHFRWLAGSA-N 1 0 482.673 3.954 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccsc1 ZINC001313674940 1070913994 /nfs/dbraw/zinc/91/39/94/1070913994.db2.gz QIWFZGVECWWRKX-KNQAVFIVSA-N 1 0 482.654 3.800 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccco1 ZINC001313675217 1070915082 /nfs/dbraw/zinc/91/50/82/1070915082.db2.gz YHQATRVOEBBTEI-MOPGFXCFSA-N 1 0 471.993 3.590 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)OC)c1ccco1 ZINC001313675478 1070916715 /nfs/dbraw/zinc/91/67/15/1070916715.db2.gz ZQSQEHAFEJYNEQ-HXUWFJFHSA-N 1 0 479.585 3.910 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313675769 1070917948 /nfs/dbraw/zinc/91/79/48/1070917948.db2.gz BOUBZJCXRJCXDC-FQEVSTJZSA-N 1 0 458.651 3.847 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccsc1 ZINC001313676488 1070921069 /nfs/dbraw/zinc/92/10/69/1070921069.db2.gz FBJZPNYQQSXKBP-UGKGYDQZSA-N 1 0 460.692 3.893 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](F)C1)c1ccccc1 ZINC001313676628 1070921932 /nfs/dbraw/zinc/92/19/32/1070921932.db2.gz YJYBISNWVUBTEC-PMAMDCHESA-N 1 0 459.610 3.879 20 0 JHADRO CN(Cc1cc(F)cc(F)c1)c1nnc(-c2ccc(Cl)nc2)n1CCC[NH+]1CCC(O)CC1 ZINC001314725188 1070928506 /nfs/dbraw/zinc/92/85/06/1070928506.db2.gz ZJIAPPDUQMVXCP-UHFFFAOYSA-N 1 0 476.959 3.755 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)c1ccccc1 ZINC001313677618 1070926104 /nfs/dbraw/zinc/92/61/04/1070926104.db2.gz KXALWUUIMAPLSA-QLBJFCOMSA-N 1 0 468.690 3.717 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 ZINC001313677855 1070926889 /nfs/dbraw/zinc/92/68/89/1070926889.db2.gz MOBITIZLDYOZQY-QLBJFCOMSA-N 1 0 482.673 3.608 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314725477 1070929714 /nfs/dbraw/zinc/92/97/14/1070929714.db2.gz MTONRYWUVXBXGU-GOEBONIOSA-N 1 0 464.364 3.670 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(C)C1)c1ccccc1 ZINC001313678849 1070932354 /nfs/dbraw/zinc/93/23/54/1070932354.db2.gz OUXSBIRIQILVFK-PKTZIBPZSA-N 1 0 471.671 3.810 20 0 JHADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC001309720451 1070938305 /nfs/dbraw/zinc/93/83/05/1070938305.db2.gz GWQNZIMUGIBZSN-LJQANCHMSA-N 1 0 457.036 3.783 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1C(C)C)c1ccccc1 ZINC001313680304 1070938468 /nfs/dbraw/zinc/93/84/68/1070938468.db2.gz TUGGZSMYCMJUBW-YTFSRNRJSA-N 1 0 473.687 3.888 20 0 JHADRO CCN(CC)c1ccc(Cn2c(N3C[C@H](C)[N@H+](CC)C[C@H]3C)nnc2[C@]2(OC(C)C)CCOC2)cn1 ZINC001313679711 1070934624 /nfs/dbraw/zinc/93/46/24/1070934624.db2.gz RCBFLZQWICOVKO-XXAUWVGASA-N 1 0 499.704 3.527 20 0 JHADRO CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NCc3ccc(Nc4cc[nH+]cc4)cc3)cc21 ZINC001309725673 1070941176 /nfs/dbraw/zinc/94/11/76/1070941176.db2.gz HNWTVGKRWWHPML-QGZVFWFLSA-N 1 0 450.564 3.586 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)NC)C1)c1ccco1 ZINC001313681754 1070942041 /nfs/dbraw/zinc/94/20/41/1070942041.db2.gz ZAIYWVIYVGACGB-PKTZIBPZSA-N 1 0 478.641 3.816 20 0 JHADRO COCCOc1c(Cl)cc(S(=O)(=O)NCCC2CC[NH+](C(C)C)CC2)cc1Cl ZINC001309729657 1070942719 /nfs/dbraw/zinc/94/27/19/1070942719.db2.gz XUCWNDSZRXILQQ-UHFFFAOYSA-N 1 0 453.432 3.807 20 0 JHADRO CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001313687832 1070947457 /nfs/dbraw/zinc/94/74/57/1070947457.db2.gz DCOZARDWHGHGJI-UNMCSNQZSA-N 1 0 486.661 3.953 20 0 JHADRO CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001313688072 1070947659 /nfs/dbraw/zinc/94/76/59/1070947659.db2.gz HMYWZGRJFAMSMY-RBUKOAKNSA-N 1 0 464.655 3.553 20 0 JHADRO CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001313692273 1070952701 /nfs/dbraw/zinc/95/27/01/1070952701.db2.gz MZCHDFOHKGLGGH-QHCPKHFHSA-N 1 0 451.619 3.832 20 0 JHADRO CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001313689903 1070949448 /nfs/dbraw/zinc/94/94/48/1070949448.db2.gz NZFPCXCIFAVODL-UHFFFAOYSA-N 1 0 455.647 3.953 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCCCO2)n1CC1([NH+](C)C)CCOCC1 ZINC001314731516 1070950274 /nfs/dbraw/zinc/95/02/74/1070950274.db2.gz MBCLBOBDFVFHJF-QGZVFWFLSA-N 1 0 454.040 3.982 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCSC2)CC1 ZINC001313691209 1070950829 /nfs/dbraw/zinc/95/08/29/1070950829.db2.gz DPNFUVCKGKPBQJ-KOSHJBKYSA-N 1 0 477.650 3.736 20 0 JHADRO CCC1CCN(S(=O)(=O)N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC001309747044 1070951054 /nfs/dbraw/zinc/95/10/54/1070951054.db2.gz SRJFNQXOZXHDDD-UHFFFAOYSA-N 1 0 457.640 3.750 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCn2ccnc2C)CC1 ZINC001313693002 1070953480 /nfs/dbraw/zinc/95/34/80/1070953480.db2.gz FXVQJSPXWALHTQ-UHFFFAOYSA-N 1 0 457.573 3.663 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC001313695097 1070958739 /nfs/dbraw/zinc/95/87/39/1070958739.db2.gz LVROZPSPIWFTAP-NRFANRHFSA-N 1 0 483.661 3.671 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001313693662 1070955309 /nfs/dbraw/zinc/95/53/09/1070955309.db2.gz NDGXXJIMYPPOFV-UHFFFAOYSA-N 1 0 488.562 3.626 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3F)n2CCN2CCOCC2(C)C)CC1 ZINC001313693920 1070955961 /nfs/dbraw/zinc/95/59/61/1070955961.db2.gz IBUNYJQSJJIIAG-UHFFFAOYSA-N 1 0 458.626 3.506 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001313695050 1070958819 /nfs/dbraw/zinc/95/88/19/1070958819.db2.gz MQOIUOXUCJVSGS-UHFFFAOYSA-N 1 0 463.630 3.774 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSc2ccccc2)CC1 ZINC001313694298 1070956730 /nfs/dbraw/zinc/95/67/30/1070956730.db2.gz GLCJNLFBVOYPKJ-HXUWFJFHSA-N 1 0 491.727 3.673 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CCOc2cccc(F)c2)CC1 ZINC001313694938 1070958075 /nfs/dbraw/zinc/95/80/75/1070958075.db2.gz YDAROHMSICOWPC-UHFFFAOYSA-N 1 0 452.578 3.793 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001313695193 1070959483 /nfs/dbraw/zinc/95/94/83/1070959483.db2.gz OTLBSQHIQHJREA-FQEVSTJZSA-N 1 0 459.038 3.824 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(OC)c2OC)CC1 ZINC001313696899 1070964354 /nfs/dbraw/zinc/96/43/54/1070964354.db2.gz YZDAQDFGQNSYFW-UHFFFAOYSA-N 1 0 482.629 3.668 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001313695741 1070961336 /nfs/dbraw/zinc/96/13/36/1070961336.db2.gz RVLBIEHYSPCTBZ-OAQYLSRUSA-N 1 0 498.672 3.531 20 0 JHADRO C[NH+]1CCC(CNS(=O)(=O)c2ccc(F)c(Br)c2F)(c2ccccc2)CC1 ZINC001309772252 1070961712 /nfs/dbraw/zinc/96/17/12/1070961712.db2.gz QPOFYMXJFDTZDX-UHFFFAOYSA-N 1 0 459.356 3.669 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(Cc2ccccn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314736835 1070963913 /nfs/dbraw/zinc/96/39/13/1070963913.db2.gz HSIPXOKCIAALDW-UMSFTDKQSA-N 1 0 480.682 3.760 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccnc3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001313696554 1070964021 /nfs/dbraw/zinc/96/40/21/1070964021.db2.gz RZPJUFUGSCFYQR-UHFFFAOYSA-N 1 0 455.994 3.778 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccnc3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC001313697413 1070966319 /nfs/dbraw/zinc/96/63/19/1070966319.db2.gz ZSQDVSVVDACTKC-UHFFFAOYSA-N 1 0 475.641 3.595 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCn2cncn2)CC1 ZINC001313697700 1070967624 /nfs/dbraw/zinc/96/76/24/1070967624.db2.gz OOHWIEYQTGJKSA-UHFFFAOYSA-N 1 0 463.417 3.854 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CCc3ccccc3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001313697777 1070968191 /nfs/dbraw/zinc/96/81/91/1070968191.db2.gz UPVARCURVICTAR-UHFFFAOYSA-N 1 0 464.662 3.769 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCCC2)CC1 ZINC001313697798 1070968318 /nfs/dbraw/zinc/96/83/18/1070968318.db2.gz VLADFHVCTRKKPT-UHFFFAOYSA-N 1 0 482.673 3.830 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC(F)F)CC1 ZINC001313698329 1070970347 /nfs/dbraw/zinc/97/03/47/1070970347.db2.gz YAIZFSXXTBHTOP-UHFFFAOYSA-N 1 0 475.382 3.976 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)NC(C)C)CC1 ZINC001313698338 1070970364 /nfs/dbraw/zinc/97/03/64/1070970364.db2.gz YILRBBFATMIQQA-UHFFFAOYSA-N 1 0 477.451 3.543 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC[C@@H](C)C2)CC1 ZINC001313698865 1070971757 /nfs/dbraw/zinc/97/17/57/1070971757.db2.gz OHFKNOXABOKMTR-UXHICEINSA-N 1 0 488.627 3.574 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2[C@H]2C[C@@H]2C)CC1 ZINC001313699407 1070974067 /nfs/dbraw/zinc/97/40/67/1070974067.db2.gz XRBDCINTKXHUEW-LPHOPBHVSA-N 1 0 495.455 3.735 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC3CCCC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001313699655 1070974823 /nfs/dbraw/zinc/97/48/23/1070974823.db2.gz FYEOEEWLEQZFDA-HSZRJFAPSA-N 1 0 473.687 3.524 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](NC(C)=O)C2)c1 ZINC001313699603 1070974863 /nfs/dbraw/zinc/97/48/63/1070974863.db2.gz DGFABMBESLZHTL-HSZRJFAPSA-N 1 0 464.614 3.842 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)c1 ZINC001313699890 1070975250 /nfs/dbraw/zinc/97/52/50/1070975250.db2.gz KFPZERIQYZTESC-HHHXNRCGSA-N 1 0 484.689 3.948 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2ccn(C)n2)C1 ZINC001313701214 1070979330 /nfs/dbraw/zinc/97/93/30/1070979330.db2.gz CPYOWAQHJFBXEH-SFHVURJKSA-N 1 0 486.462 3.852 20 0 JHADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(C2CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314740536 1070976693 /nfs/dbraw/zinc/97/66/93/1070976693.db2.gz WWVWDTSNMCRMIL-FQEVSTJZSA-N 1 0 459.641 3.560 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC=CO2)C1 ZINC001313703423 1070986726 /nfs/dbraw/zinc/98/67/26/1070986726.db2.gz WPVIIBTUTQUXGA-CTNGQTDRSA-N 1 0 455.603 3.823 20 0 JHADRO CN(Cc1cccc(C(F)(F)F)c1)c1nnc(-c2cnn(C)c2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314742659 1070982087 /nfs/dbraw/zinc/98/20/87/1070982087.db2.gz ZXHLHZPHTQBKDP-OAQYLSRUSA-N 1 0 491.562 3.571 20 0 JHADRO CN(Cc1cccc(Cl)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314742609 1070982211 /nfs/dbraw/zinc/98/22/11/1070982211.db2.gz OCEQMRLQVSEXJH-LJQANCHMSA-N 1 0 453.978 3.555 20 0 JHADRO CN(Cc1cccc(F)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314744786 1070987047 /nfs/dbraw/zinc/98/70/47/1070987047.db2.gz NUZJVTZAUSTEFN-FQEVSTJZSA-N 1 0 465.577 3.821 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H]2CC=CCC2)cc1 ZINC001313702489 1070984836 /nfs/dbraw/zinc/98/48/36/1070984836.db2.gz BFVYKWWNEOYUGJ-NFBKMPQASA-N 1 0 450.631 3.912 20 0 JHADRO CN(Cc1cccc(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314744682 1070986450 /nfs/dbraw/zinc/98/64/50/1070986450.db2.gz LSKWAUQQUAKDJI-HXUWFJFHSA-N 1 0 477.650 3.610 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001313703655 1070987473 /nfs/dbraw/zinc/98/74/73/1070987473.db2.gz CTBXIZCXCOBSOL-PKTZIBPZSA-N 1 0 487.714 3.943 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CCO[C@H]([C@H]4CCCO4)C3)nnc2C(C)(C)C)c1 ZINC001313703679 1070988104 /nfs/dbraw/zinc/98/81/04/1070988104.db2.gz QDKKTFWVXPDCCX-PKTZIBPZSA-N 1 0 455.647 3.850 20 0 JHADRO CC(C)(O)[C@H]1CCCN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)C1 ZINC001309830548 1070988530 /nfs/dbraw/zinc/98/85/30/1070988530.db2.gz VYQQCPGAPVRGPB-OEMFJLHTSA-N 1 0 460.615 3.606 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313704132 1070988537 /nfs/dbraw/zinc/98/85/37/1070988537.db2.gz GTAOPKYEYSJIIK-DQEYMECFSA-N 1 0 496.700 3.803 20 0 JHADRO CN(Cc1cccc(F)c1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+](C)C1CCCCC1 ZINC001314745763 1070989162 /nfs/dbraw/zinc/98/91/62/1070989162.db2.gz ZPHJZSBPSQPREX-UHFFFAOYSA-N 1 0 465.577 3.965 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313704135 1070989919 /nfs/dbraw/zinc/98/99/19/1070989919.db2.gz GTAOPKYEYSJIIK-RPBOFIJWSA-N 1 0 496.700 3.803 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2C[C@H](C)S[C@@H](C)C2)cc1 ZINC001313704376 1070990423 /nfs/dbraw/zinc/99/04/23/1070990423.db2.gz LUJWWIXOQIJMFW-OALUTQOASA-N 1 0 451.644 3.955 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313704616 1070991134 /nfs/dbraw/zinc/99/11/34/1070991134.db2.gz KZWJMQKLKVFXTE-VWLOTQADSA-N 1 0 482.673 3.762 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001313705102 1070993054 /nfs/dbraw/zinc/99/30/54/1070993054.db2.gz ALWGCLZUVXZWOR-GOSISDBHSA-N 1 0 482.551 3.531 20 0 JHADRO CN(Cc1ccccc1Br)c1nnc(CN2CCCC2=O)n1CC1([NH+](C)C)CCCC1 ZINC001314746951 1070993186 /nfs/dbraw/zinc/99/31/86/1070993186.db2.gz SGZQTZYTQPUISP-UHFFFAOYSA-N 1 0 489.462 3.674 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001313705427 1070993747 /nfs/dbraw/zinc/99/37/47/1070993747.db2.gz SAGRXUJLUFSMDI-QFIPXVFZSA-N 1 0 467.618 3.636 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)OC(C)(C)C2)cc1 ZINC001313705312 1070993780 /nfs/dbraw/zinc/99/37/80/1070993780.db2.gz QCOREXPXQSAWQI-HXUWFJFHSA-N 1 0 491.640 3.819 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCC(F)(F)F)CC1 ZINC001313706022 1070995530 /nfs/dbraw/zinc/99/55/30/1070995530.db2.gz YEFSLGGVPUNWMZ-UHFFFAOYSA-N 1 0 491.562 3.759 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C)no2)C1 ZINC001313708350 1071000196 /nfs/dbraw/zinc/00/01/96/1071000196.db2.gz UOZNOEBLSWYXJE-OAHLLOKOSA-N 1 0 462.396 3.549 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(F)c(F)c2)C1 ZINC001313708504 1071000815 /nfs/dbraw/zinc/00/08/15/1071000815.db2.gz XJHMBKRLTNKFPS-LJQANCHMSA-N 1 0 483.567 3.614 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(OC)nc2)C1 ZINC001313708799 1071000837 /nfs/dbraw/zinc/00/08/37/1071000837.db2.gz ZKOMREXNBLUHMO-QFIPXVFZSA-N 1 0 491.640 3.767 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001313708947 1071001262 /nfs/dbraw/zinc/00/12/62/1071001262.db2.gz DUVMCAUCCYEVHA-NOXFTYBFSA-N 1 0 481.563 3.748 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCCC2)C1 ZINC001313710066 1071003770 /nfs/dbraw/zinc/00/37/70/1071003770.db2.gz ADAWHOLFFJWSKR-UHFFFAOYSA-N 1 0 459.660 3.851 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001313709513 1071002312 /nfs/dbraw/zinc/00/23/12/1071002312.db2.gz MVTGNINNXSHCTR-FYYLOGMGSA-N 1 0 468.646 3.884 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2csc(C)c2)C1 ZINC001313709795 1071002821 /nfs/dbraw/zinc/00/28/21/1071002821.db2.gz QPOYUDUWRFDREZ-GOSISDBHSA-N 1 0 472.684 3.856 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)C)C1 ZINC001313710610 1071004541 /nfs/dbraw/zinc/00/45/41/1071004541.db2.gz ATRAYWKUTXNUMN-LEWJYISDSA-N 1 0 478.682 3.801 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)C1 ZINC001313710930 1071005359 /nfs/dbraw/zinc/00/53/59/1071005359.db2.gz CSKMUJJUPCROKX-QPHCHLROSA-N 1 0 464.079 3.602 20 0 JHADRO CN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCCCC1 ZINC001314753252 1071005770 /nfs/dbraw/zinc/00/57/70/1071005770.db2.gz UUSKHPGUIGLYHE-UHFFFAOYSA-N 1 0 451.550 3.577 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CSCCS2)C1 ZINC001313711743 1071007158 /nfs/dbraw/zinc/00/71/58/1071007158.db2.gz HPJHNQAPKYKAFD-PKOBYXMFSA-N 1 0 466.746 3.651 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001313712753 1071009480 /nfs/dbraw/zinc/00/94/80/1071009480.db2.gz UETNIBXJILQAKA-OALUTQOASA-N 1 0 472.703 3.955 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313712208 1071007917 /nfs/dbraw/zinc/00/79/17/1071007917.db2.gz KLMOLBSBZORTAD-SANMLTNESA-N 1 0 454.663 3.937 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313712207 1071007944 /nfs/dbraw/zinc/00/79/44/1071007944.db2.gz KLMOLBSBZORTAD-AREMUKBSSA-N 1 0 454.663 3.937 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cn2cccn2)CC1 ZINC001313712385 1071008665 /nfs/dbraw/zinc/00/86/65/1071008665.db2.gz OUBZFEOOXRRQHZ-UHFFFAOYSA-N 1 0 457.026 3.839 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001313712643 1071008761 /nfs/dbraw/zinc/00/87/61/1071008761.db2.gz QXVPREUAQNWFQY-QZTJIDSGSA-N 1 0 458.676 3.530 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001313712755 1071009761 /nfs/dbraw/zinc/00/97/61/1071009761.db2.gz UETNIBXJILQAKA-RBUKOAKNSA-N 1 0 472.703 3.955 20 0 JHADRO CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC001313715310 1071014243 /nfs/dbraw/zinc/01/42/43/1071014243.db2.gz BSKOTVUMNBJLTM-FQEVSTJZSA-N 1 0 473.691 3.590 20 0 JHADRO CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC001313715311 1071014262 /nfs/dbraw/zinc/01/42/62/1071014262.db2.gz BSKOTVUMNBJLTM-HXUWFJFHSA-N 1 0 473.691 3.590 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001313713960 1071011139 /nfs/dbraw/zinc/01/11/39/1071011139.db2.gz GCAYUJGESVSZSU-UHFFFAOYSA-N 1 0 464.614 3.849 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001313714055 1071011391 /nfs/dbraw/zinc/01/13/91/1071011391.db2.gz WBRVTHMTSMVEMH-HXUWFJFHSA-N 1 0 467.643 3.637 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO2)C1 ZINC001313714143 1071011824 /nfs/dbraw/zinc/01/18/24/1071011824.db2.gz XCSKTPHGEZPRCY-BHIFYINESA-N 1 0 490.693 3.740 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1Br ZINC001313715597 1071014643 /nfs/dbraw/zinc/01/46/43/1071014643.db2.gz JQISQMMWFFUTQQ-UHFFFAOYSA-N 1 0 460.424 3.809 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC001313714779 1071013310 /nfs/dbraw/zinc/01/33/10/1071013310.db2.gz RDQYPNAWHGBPMR-IBGZPJMESA-N 1 0 454.623 3.906 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313714981 1071013680 /nfs/dbraw/zinc/01/36/80/1071013680.db2.gz XXUMHQGSWCBLKR-KRWDZBQOSA-N 1 0 478.435 3.829 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC001313714999 1071013693 /nfs/dbraw/zinc/01/36/93/1071013693.db2.gz YQPZGHOYTAFMIB-UHFFFAOYSA-N 1 0 481.645 3.624 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001313715188 1071013713 /nfs/dbraw/zinc/01/37/13/1071013713.db2.gz GNACESFKXWMWIS-UHFFFAOYSA-N 1 0 467.643 3.532 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccsc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001313715895 1071015200 /nfs/dbraw/zinc/01/52/00/1071015200.db2.gz KXNXDPACZKVEHM-UHFFFAOYSA-N 1 0 479.716 3.600 20 0 JHADRO CN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314760097 1071016031 /nfs/dbraw/zinc/01/60/31/1071016031.db2.gz WZYCXQRASUWCKH-NHCUHLMSSA-N 1 0 474.719 3.921 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001313719767 1071020604 /nfs/dbraw/zinc/02/06/04/1071020604.db2.gz VZAUBDPZWSNDPG-SBHAEUEKSA-N 1 0 470.597 3.721 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccc2F)CC1 ZINC001313717387 1071017120 /nfs/dbraw/zinc/01/71/20/1071017120.db2.gz PFMIRHGELIIGNC-UHFFFAOYSA-N 1 0 487.574 3.740 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001313717644 1071017432 /nfs/dbraw/zinc/01/74/32/1071017432.db2.gz HRVSGECOXDIYDO-HXUWFJFHSA-N 1 0 471.646 3.947 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cccc(C)n2)nnc1N1CCc2cc(F)ccc2C1 ZINC001313718179 1071018277 /nfs/dbraw/zinc/01/82/77/1071018277.db2.gz NHPDKAUVIVKUSF-UHFFFAOYSA-N 1 0 452.578 3.709 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001313718024 1071018453 /nfs/dbraw/zinc/01/84/53/1071018453.db2.gz IIZSAWGWTZQTDS-NRFANRHFSA-N 1 0 474.053 3.695 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001313718875 1071019044 /nfs/dbraw/zinc/01/90/44/1071019044.db2.gz DXNAYRBXGZGKPX-XMERXJNXSA-N 1 0 499.635 3.773 20 0 JHADRO CC[NH+](CC)CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@H]1C ZINC001313718798 1071019077 /nfs/dbraw/zinc/01/90/77/1071019077.db2.gz VNUGCAIFLOISOL-LEWJYISDSA-N 1 0 492.709 3.986 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001313722060 1071025648 /nfs/dbraw/zinc/02/56/48/1071025648.db2.gz WMBDORDXZWPSDD-QGZVFWFLSA-N 1 0 489.462 3.557 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001313720414 1071021740 /nfs/dbraw/zinc/02/17/40/1071021740.db2.gz JTPLIPILQAWDGS-JOCHJYFZSA-N 1 0 461.054 3.837 20 0 JHADRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001309944154 1071024753 /nfs/dbraw/zinc/02/47/53/1071024753.db2.gz WYULWLYQGLSDGC-GMAHTHKFSA-N 1 0 459.587 3.961 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC001313721749 1071025259 /nfs/dbraw/zinc/02/52/59/1071025259.db2.gz JQFWPXSMBBVHNO-QZTJIDSGSA-N 1 0 487.052 3.903 20 0 JHADRO CN(Cc1ccoc1)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314767453 1071029605 /nfs/dbraw/zinc/02/96/05/1071029605.db2.gz ZYILBDIJHRQHJW-UHFFFAOYSA-N 1 0 456.616 3.764 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001313723905 1071029662 /nfs/dbraw/zinc/02/96/62/1071029662.db2.gz XFNDEIDQICEMKH-IFMALSPDSA-N 1 0 458.651 3.568 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC001313724111 1071030000 /nfs/dbraw/zinc/03/00/00/1071030000.db2.gz NNBHBLAGSROFGC-VWNXMTODSA-N 1 0 495.716 3.525 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](C)C1 ZINC001313724509 1071031101 /nfs/dbraw/zinc/03/11/01/1071031101.db2.gz RFRJUXHDTDJBQI-HBMCJLEFSA-N 1 0 478.682 3.943 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC001313725125 1071032090 /nfs/dbraw/zinc/03/20/90/1071032090.db2.gz FKNLETUWQAMIPB-ZNTQHIFFSA-N 1 0 489.686 3.507 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC001313725124 1071032120 /nfs/dbraw/zinc/03/21/20/1071032120.db2.gz FKNLETUWQAMIPB-LUBSMZHTSA-N 1 0 489.686 3.507 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](COC)C1 ZINC001313725623 1071033201 /nfs/dbraw/zinc/03/32/01/1071033201.db2.gz MRLSTUNSDKJZNU-NJYVYQBISA-N 1 0 478.682 3.596 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001313725712 1071033675 /nfs/dbraw/zinc/03/36/75/1071033675.db2.gz PCQAZXIJWMWIPA-HJNYFJLDSA-N 1 0 459.660 3.560 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001313727365 1071036675 /nfs/dbraw/zinc/03/66/75/1071036675.db2.gz QFFQXIUHXXCLNO-NFBKMPQASA-N 1 0 483.686 3.921 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 ZINC001313727251 1071036708 /nfs/dbraw/zinc/03/67/08/1071036708.db2.gz NAOXRADSBNRHPD-PKTZIBPZSA-N 1 0 467.666 3.525 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccccc2C1 ZINC001313726843 1071035670 /nfs/dbraw/zinc/03/56/70/1071035670.db2.gz HMVNALKWCHKUBC-GOSISDBHSA-N 1 0 452.628 3.563 20 0 JHADRO CCC(CC)[C@@H](CNC(=O)Nc1ccc(I)cc1C)[NH+]1CCOCC1 ZINC001309978041 1071036195 /nfs/dbraw/zinc/03/61/95/1071036195.db2.gz NBOUATBDXLXKRQ-GOSISDBHSA-N 1 0 459.372 3.858 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001313727598 1071037220 /nfs/dbraw/zinc/03/72/20/1071037220.db2.gz VHEHAQSZBNXOOU-OAQYLSRUSA-N 1 0 496.700 3.991 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001313727785 1071038244 /nfs/dbraw/zinc/03/82/44/1071038244.db2.gz GRJNQUOMNOTYIP-IEBWSBKVSA-N 1 0 457.648 3.811 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001313728275 1071039322 /nfs/dbraw/zinc/03/93/22/1071039322.db2.gz GJIUJYBGVPXYQG-FQEVSTJZSA-N 1 0 463.630 3.733 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)C[NH+](C)C ZINC001313728964 1071040591 /nfs/dbraw/zinc/04/05/91/1071040591.db2.gz QNUPNKNUYAFCBM-UHFFFAOYSA-N 1 0 451.619 3.589 20 0 JHADRO CCCCNS(=O)(=O)c1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001309998836 1071047898 /nfs/dbraw/zinc/04/78/98/1071047898.db2.gz ZTUFTDBRMOHYFY-CVDCTZTESA-N 1 0 458.628 3.797 20 0 JHADRO CN(Cc1ccon1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314776563 1071048504 /nfs/dbraw/zinc/04/85/04/1071048504.db2.gz XCHVGLDBAZCZJM-HXUWFJFHSA-N 1 0 450.971 3.799 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001314776673 1071048653 /nfs/dbraw/zinc/04/86/53/1071048653.db2.gz AZQIVIYDDYBKEZ-KRWDZBQOSA-N 1 0 476.576 3.889 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@H+](C)C1CCCC1 ZINC001314781716 1071056542 /nfs/dbraw/zinc/05/65/42/1071056542.db2.gz CYJUMFDLKRQFHB-UHFFFAOYSA-N 1 0 481.613 3.705 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)CC1 ZINC001310017786 1071062094 /nfs/dbraw/zinc/06/20/94/1071062094.db2.gz HDFSDEVHONXHEO-GNVZTASGSA-N 1 0 451.011 3.576 20 0 JHADRO CN(CC1CC(F)C1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314786721 1071063729 /nfs/dbraw/zinc/06/37/29/1071063729.db2.gz VNDWDUHBDPHVDJ-UJDVWZRTSA-N 1 0 496.697 3.670 20 0 JHADRO Cc1ccc(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c(-n2cc(Cl)cn2)n1 ZINC001310021448 1071066037 /nfs/dbraw/zinc/06/60/37/1071066037.db2.gz ZWGZZGAWHLBGEY-UHFFFAOYSA-N 1 0 453.978 3.611 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc(CNC(=O)c2cccs2)n1CC[NH+]1CCCC1 ZINC001313741436 1071067162 /nfs/dbraw/zinc/06/71/62/1071067162.db2.gz OZSAACWENAPMHZ-UHFFFAOYSA-N 1 0 452.628 3.700 20 0 JHADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC001310029640 1071072059 /nfs/dbraw/zinc/07/20/59/1071072059.db2.gz WPABDZKBWGDDRG-JOCHJYFZSA-N 1 0 450.583 3.674 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[NH+]1CCCCC1 ZINC001313745076 1071072982 /nfs/dbraw/zinc/07/29/82/1071072982.db2.gz LLLPOGWNFLVICT-VWLOTQADSA-N 1 0 459.610 3.970 20 0 JHADRO CCOc1ccc(OCC)c(NC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001310033995 1071074027 /nfs/dbraw/zinc/07/40/27/1071074027.db2.gz YAZIFGYVZNURAH-JOCHJYFZSA-N 1 0 452.599 3.908 20 0 JHADRO CCN(CC)C(=O)COc1cccc(NC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC001310026731 1071070499 /nfs/dbraw/zinc/07/04/99/1071070499.db2.gz AGSDWDDDHSMFRB-QHCPKHFHSA-N 1 0 452.599 3.715 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314800956 1071081324 /nfs/dbraw/zinc/08/13/24/1071081324.db2.gz HCSHHDJNIKQMRY-HXOBKFHXSA-N 1 0 465.614 3.590 20 0 JHADRO C[NH+](C)CC[C@H](NC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1cccnc1 ZINC001310063791 1071093529 /nfs/dbraw/zinc/09/35/29/1071093529.db2.gz PIGUYKIQOKOBDA-IBGZPJMESA-N 1 0 450.568 3.904 20 0 JHADRO CCN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc(Cc2ccncc2)n1CC(C)(C)C[NH+](C)C ZINC001313756425 1071099057 /nfs/dbraw/zinc/09/90/57/1071099057.db2.gz DQQBRMSXXAYSEM-UHFFFAOYSA-N 1 0 480.642 3.589 20 0 JHADRO CCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001313764425 1071111619 /nfs/dbraw/zinc/11/16/19/1071111619.db2.gz HLKOHPBLAADMSE-UNMCSNQZSA-N 1 0 490.693 3.945 20 0 JHADRO CCC[NH+]1CCN(C(=O)Nc2ccc(-n3ncc(C(=O)OCC)c3C(F)(F)F)cc2)CC1 ZINC001310117209 1071130337 /nfs/dbraw/zinc/13/03/37/1071130337.db2.gz WHQNHNKKOSKNFZ-UHFFFAOYSA-N 1 0 453.465 3.627 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001313777583 1071136377 /nfs/dbraw/zinc/13/63/77/1071136377.db2.gz UKGQXDGPXVPWSW-NRFANRHFSA-N 1 0 489.686 3.618 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001313777546 1071136433 /nfs/dbraw/zinc/13/64/33/1071136433.db2.gz CRLJWGWHOSLISJ-YADHBBJMSA-N 1 0 490.693 3.738 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(Cc2ccccc2F)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314821520 1071138449 /nfs/dbraw/zinc/13/84/49/1071138449.db2.gz PBBNCYFGKKCMLX-UHFFFAOYSA-N 1 0 473.637 3.965 20 0 JHADRO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C)n1CC1(SC)CC[NH+](C)CC1 ZINC001313778441 1071138576 /nfs/dbraw/zinc/13/85/76/1071138576.db2.gz HIVCCPWMBYCNEO-UHFFFAOYSA-N 1 0 457.692 3.552 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(Cc2ccccc2OC)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313778382 1071139549 /nfs/dbraw/zinc/13/95/49/1071139549.db2.gz AQBBZWDQSIGAAQ-FUDKSRODSA-N 1 0 485.673 3.771 20 0 JHADRO Cc1cc(N2CCC(NC(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CC2)nc(C)n1 ZINC001310130151 1071140952 /nfs/dbraw/zinc/14/09/52/1071140952.db2.gz DUOYQEPDHXJRPV-IRXDYDNUSA-N 1 0 456.566 3.637 20 0 JHADRO CC(C)[C@H]1CN(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001310130866 1071142568 /nfs/dbraw/zinc/14/25/68/1071142568.db2.gz OTSAQAPHTQAWRB-XMMPIXPASA-N 1 0 450.583 3.533 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001313780442 1071144832 /nfs/dbraw/zinc/14/48/32/1071144832.db2.gz MRGUYTSKHCKNQT-FDFHNCONSA-N 1 0 490.693 3.738 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[NH+]1CCCCCC1 ZINC001314824390 1071146980 /nfs/dbraw/zinc/14/69/80/1071146980.db2.gz LDZBWCIDDSFVBV-UHFFFAOYSA-N 1 0 487.596 3.503 20 0 JHADRO CN(CCC(F)F)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCSC1 ZINC001314825983 1071150078 /nfs/dbraw/zinc/15/00/78/1071150078.db2.gz SWWJAOSSNPDRES-FQEVSTJZSA-N 1 0 478.657 3.877 20 0 JHADRO CCN(C[C@@H]1COc2ccccc2O1)c1nnc(CC(C)C)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313783958 1071153366 /nfs/dbraw/zinc/15/33/66/1071153366.db2.gz BRINXFBTEYQTOY-YPAWHYETSA-N 1 0 471.646 3.642 20 0 JHADRO C[NH+](C)CCCC1CCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC001310157370 1071162014 /nfs/dbraw/zinc/16/20/14/1071162014.db2.gz CSCZVFJKDWEPGO-UHFFFAOYSA-N 1 0 453.425 3.871 20 0 JHADRO CCN(C[C@H]1COc2ccccc2O1)c1nnc(C(C)(C)C)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001313787431 1071168438 /nfs/dbraw/zinc/16/84/38/1071168438.db2.gz XOKVHFGXGVOTOX-QFIPXVFZSA-N 1 0 484.689 3.516 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1)CC(F)(F)F ZINC001313788007 1071172277 /nfs/dbraw/zinc/17/22/77/1071172277.db2.gz YAJSUKHWPGPTJD-NHCUHLMSSA-N 1 0 493.622 3.706 20 0 JHADRO CN(CCC1CC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001314837818 1071181405 /nfs/dbraw/zinc/18/14/05/1071181405.db2.gz KDTITAVVLHENCR-FQEVSTJZSA-N 1 0 476.666 3.697 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)[NH+](C)C)C1)CC(F)(F)F ZINC001313790775 1071185413 /nfs/dbraw/zinc/18/54/13/1071185413.db2.gz XVRDXYMZLVQMHS-ZWKOTPCHSA-N 1 0 468.568 3.614 20 0 JHADRO CCN(CCc1cccs1)c1nnc(-c2cccc(C)n2)n1CC1([NH+](C)C)CCOCC1 ZINC001313791818 1071187338 /nfs/dbraw/zinc/18/73/38/1071187338.db2.gz BROLEEBNIRQMLE-UHFFFAOYSA-N 1 0 454.644 3.890 20 0 JHADRO CCN(CCc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001313792343 1071188683 /nfs/dbraw/zinc/18/86/83/1071188683.db2.gz LRXYPDASDCMPID-CTNGQTDRSA-N 1 0 458.676 3.728 20 0 JHADRO CCN(CCc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001313792349 1071188721 /nfs/dbraw/zinc/18/87/21/1071188721.db2.gz LRXYPDASDCMPID-TZIWHRDSSA-N 1 0 458.676 3.728 20 0 JHADRO CCN(CCC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001313795686 1071194646 /nfs/dbraw/zinc/19/46/46/1071194646.db2.gz GRLBUMOCAGZPKN-IRFCIJBXSA-N 1 0 465.708 3.563 20 0 JHADRO 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CC[N@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(F)F)C1)CCC(F)(F)F ZINC001313821609 1071283288 /nfs/dbraw/zinc/28/32/88/1071283288.db2.gz DTFYURHBEXIMBX-KRWDZBQOSA-N 1 0 477.526 3.896 20 0 JHADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)C1 ZINC001310301806 1071285050 /nfs/dbraw/zinc/28/50/50/1071285050.db2.gz UGQGUKPPKCSCQN-GOSISDBHSA-N 1 0 451.539 3.933 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C(N)=O)cc1)C(C)C ZINC001313827422 1071299219 /nfs/dbraw/zinc/29/92/19/1071299219.db2.gz WAEYXUALULYUBP-FGZHOGPDSA-N 1 0 470.662 3.662 20 0 JHADRO CN(CCOc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314881823 1071307354 /nfs/dbraw/zinc/30/73/54/1071307354.db2.gz HURHAGPTDSGMPH-UHFFFAOYSA-N 1 0 471.005 3.620 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc(CC(C)C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)CCO2)cn1 ZINC001313833048 1071307438 /nfs/dbraw/zinc/30/74/38/1071307438.db2.gz DIYAQOWPTJDCSE-DNQXCXABSA-N 1 0 465.646 3.882 20 0 JHADRO CN(CCOc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC1([NH+](C)C)CCCCC1 ZINC001314880415 1071303243 /nfs/dbraw/zinc/30/32/43/1071303243.db2.gz YCNHYKNQORFZEU-UHFFFAOYSA-N 1 0 453.566 3.654 20 0 JHADRO CCCNS(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001310321132 1071303994 /nfs/dbraw/zinc/30/39/94/1071303994.db2.gz MOIQAUOMQFRLHG-SIKLNZKXSA-N 1 0 458.628 3.892 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1(C)CCOCC1 ZINC001314881414 1071306425 /nfs/dbraw/zinc/30/64/25/1071306425.db2.gz ZNUQENJPIFUYEJ-UHFFFAOYSA-N 1 0 498.716 3.711 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc(-c4ccccc4F)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)cn1 ZINC001313834224 1071310794 /nfs/dbraw/zinc/31/07/94/1071310794.db2.gz LPIUQQFWVKXKSM-NFBKMPQASA-N 1 0 469.609 3.855 20 0 JHADRO CN(CCOc1ccccc1F)c1nnc(Cc2ccccn2)n1CC1([NH+](C)C)CCCC1 ZINC001314883602 1071311350 /nfs/dbraw/zinc/31/13/50/1071311350.db2.gz KDXUIVRSVJOVRN-UHFFFAOYSA-N 1 0 452.578 3.793 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CCO2)cn1 ZINC001313834479 1071311665 /nfs/dbraw/zinc/31/16/65/1071311665.db2.gz MEAJSSYFAQMECN-VWPQPMDRSA-N 1 0 487.693 3.549 20 0 JHADRO CCn1cc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC001313840456 1071324508 /nfs/dbraw/zinc/32/45/08/1071324508.db2.gz IOBHXJHMUFFGTL-QFIPXVFZSA-N 1 0 453.610 3.981 20 0 JHADRO CCNC(=O)N1CCc2ccc(NC(=O)NCc3ccccc3OCC[NH+](CC)CC)cc21 ZINC001310338285 1071321376 /nfs/dbraw/zinc/32/13/76/1071321376.db2.gz CEXLZRGEEFALAH-UHFFFAOYSA-N 1 0 453.587 3.821 20 0 JHADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1C[C@]1(C)CCCO1 ZINC001314892238 1071322138 /nfs/dbraw/zinc/32/21/38/1071322138.db2.gz HEAKHMYBYZISOQ-SWHJIRTISA-N 1 0 457.667 3.689 20 0 JHADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CCCCC1 ZINC001310340566 1071323869 /nfs/dbraw/zinc/32/38/69/1071323869.db2.gz ZMHAKXCQRKTTGM-UHFFFAOYSA-N 1 0 458.628 3.692 20 0 JHADRO 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JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001314952141 1071422354 /nfs/dbraw/zinc/42/23/54/1071422354.db2.gz CYRGHGJYJHOUGQ-RBUKOAKNSA-N 1 0 451.619 3.509 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314952572 1071423224 /nfs/dbraw/zinc/42/32/24/1071423224.db2.gz KUPMICYJKSENQN-CYFREDJKSA-N 1 0 479.673 3.766 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001314952889 1071423767 /nfs/dbraw/zinc/42/37/67/1071423767.db2.gz URMFDAZQMYIDTR-WMZOPIPTSA-N 1 0 491.478 3.566 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC001313873243 1071424780 /nfs/dbraw/zinc/42/47/80/1071424780.db2.gz KJQIYGAOJNCWBS-ZWKOTPCHSA-N 1 0 456.541 3.833 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@H]1C ZINC001313873112 1071424880 /nfs/dbraw/zinc/42/48/80/1071424880.db2.gz CFMCOYKEPWNFBR-XWSJACJDSA-N 1 0 470.584 3.688 20 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CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3C)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001313877266 1071439080 /nfs/dbraw/zinc/43/90/80/1071439080.db2.gz VRMHETZRMBGRRM-OALUTQOASA-N 1 0 450.587 3.633 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCNC(=O)CC2)CC1 ZINC001313875883 1071436089 /nfs/dbraw/zinc/43/60/89/1071436089.db2.gz FUYCQXGDHLULJX-GOSISDBHSA-N 1 0 475.037 3.520 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H](C)OCCOC)nnc2N2CCc3cc(F)cc(F)c3C2)CC1 ZINC001313875776 1071436149 /nfs/dbraw/zinc/43/61/49/1071436149.db2.gz DAAIKOIMPYIGPR-GOSISDBHSA-N 1 0 477.600 3.965 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC001313878160 1071443989 /nfs/dbraw/zinc/44/39/89/1071443989.db2.gz VVQBKCSBABMSGZ-JOCHJYFZSA-N 1 0 489.064 3.770 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314963368 1071440431 /nfs/dbraw/zinc/44/04/31/1071440431.db2.gz HEWQUFBFDRPDDD-OALUTQOASA-N 1 0 491.080 3.839 20 0 JHADRO 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CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(O)(C(F)(F)F)CC2)C1 ZINC001313886770 1071471542 /nfs/dbraw/zinc/47/15/42/1071471542.db2.gz QVJJEVJBZRUKFT-OAHLLOKOSA-N 1 0 487.954 3.843 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001314977933 1071472505 /nfs/dbraw/zinc/47/25/05/1071472505.db2.gz CKKQBWWDZZIRCK-PIKZIKFNSA-N 1 0 489.668 3.770 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314978006 1071474043 /nfs/dbraw/zinc/47/40/43/1071474043.db2.gz OZFMCTDOCDLVRV-NLFFAJNJSA-N 1 0 470.687 3.573 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC(C(=O)OC)CC2)C1 ZINC001313888332 1071476662 /nfs/dbraw/zinc/47/66/62/1071476662.db2.gz GYWQMXFEIPFIEK-AWEZNQCLSA-N 1 0 482.448 3.500 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001313889358 1071479733 /nfs/dbraw/zinc/47/97/33/1071479733.db2.gz AFKTZBJIDJVVAX-HZPDHXFCSA-N 1 0 468.465 3.974 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001313889914 1071481388 /nfs/dbraw/zinc/48/13/88/1071481388.db2.gz KBBSJNXPGWFBFK-JOCHJYFZSA-N 1 0 482.673 3.591 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N(C)Cc2cnc(C)s2)C1 ZINC001313889866 1071481503 /nfs/dbraw/zinc/48/15/03/1071481503.db2.gz JVWVVDASOVOTCQ-GOSISDBHSA-N 1 0 456.616 3.609 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCSCC2)C1 ZINC001313891407 1071483720 /nfs/dbraw/zinc/48/37/20/1071483720.db2.gz RKYQJGRENCYHSE-INIZCTEOSA-N 1 0 450.450 3.911 20 0 JHADRO CNC(=O)c1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001314982211 1071485537 /nfs/dbraw/zinc/48/55/37/1071485537.db2.gz NMLKKQZNKUJNRJ-DHIUTWEWSA-N 1 0 482.673 3.571 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(CCO)Cc1ccccc1 ZINC001313893963 1071491791 /nfs/dbraw/zinc/49/17/91/1071491791.db2.gz RBKOUGGWXJLRJK-FQEVSTJZSA-N 1 0 487.446 3.529 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCSC[C@@H]2C)C1 ZINC001313892720 1071488570 /nfs/dbraw/zinc/48/85/70/1071488570.db2.gz ZKTAZADYSVECKI-JKSUJKDBSA-N 1 0 450.450 3.991 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)C1 ZINC001313892978 1071488683 /nfs/dbraw/zinc/48/86/83/1071488683.db2.gz BDKUTSBRJWUHTE-NRFANRHFSA-N 1 0 474.675 3.577 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313893129 1071489231 /nfs/dbraw/zinc/48/92/31/1071489231.db2.gz KVSCFLMBXNMYNS-CZTZKLFOSA-N 1 0 484.645 3.787 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(OC)c(OC)cc2C)C1 ZINC001313893323 1071489302 /nfs/dbraw/zinc/48/93/02/1071489302.db2.gz CVONEOJPJMAYMN-NRFANRHFSA-N 1 0 464.614 3.568 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001313893233 1071489431 /nfs/dbraw/zinc/48/94/31/1071489431.db2.gz MDSGNCBQRCLNRK-IBGZPJMESA-N 1 0 496.578 3.521 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001313893787 1071490805 /nfs/dbraw/zinc/49/08/05/1071490805.db2.gz QDRXKFXDFRHDOL-LEWJYISDSA-N 1 0 468.646 3.569 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](COC)C1 ZINC001313893615 1071490874 /nfs/dbraw/zinc/49/08/74/1071490874.db2.gz OZVCEMGWMLBYRN-IRXDYDNUSA-N 1 0 478.435 3.673 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314986911 1071497321 /nfs/dbraw/zinc/49/73/21/1071497321.db2.gz DNNUKCIFNNSBJA-AZUAARDMSA-N 1 0 474.053 3.611 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C(=O)OC)CC1 ZINC001313894036 1071492607 /nfs/dbraw/zinc/49/26/07/1071492607.db2.gz SGECYLUIYXOVPS-QGZVFWFLSA-N 1 0 494.409 3.720 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313894091 1071492614 /nfs/dbraw/zinc/49/26/14/1071492614.db2.gz GTUFLCLXKJNNPS-RTWAWAEBSA-N 1 0 488.702 3.965 20 0 JHADRO CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC[N@@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001313894850 1071494970 /nfs/dbraw/zinc/49/49/70/1071494970.db2.gz XIYCNNRPWYPNSK-MISYRCLQSA-N 1 0 496.077 3.569 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@H](COC)C1 ZINC001313895393 1071497261 /nfs/dbraw/zinc/49/72/61/1071497261.db2.gz HVEPCDUDTCYYNM-PMACEKPBSA-N 1 0 457.619 3.700 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](COC)C1 ZINC001313897534 1071502919 /nfs/dbraw/zinc/50/29/19/1071502919.db2.gz XZLBKXYYBXCZNH-TZIWHRDSSA-N 1 0 457.619 3.698 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001313897054 1071501462 /nfs/dbraw/zinc/50/14/62/1071501462.db2.gz UFMJVKLTPXPVPZ-FPOVZHCZSA-N 1 0 460.667 3.798 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001313897197 1071501988 /nfs/dbraw/zinc/50/19/88/1071501988.db2.gz VKLYLXMETTXVCY-GOSISDBHSA-N 1 0 477.535 3.827 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001313898100 1071504234 /nfs/dbraw/zinc/50/42/34/1071504234.db2.gz NZUVICHGBSRQOL-SFTDATJTSA-N 1 0 491.105 3.924 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CCc2nccs2)C1 ZINC001313898167 1071504838 /nfs/dbraw/zinc/50/48/38/1071504838.db2.gz PCAGNQYKIDMJPX-MOPGFXCFSA-N 1 0 489.690 3.827 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC001313898890 1071506471 /nfs/dbraw/zinc/50/64/71/1071506471.db2.gz CXBNNFKNYZFLCL-QHCPKHFHSA-N 1 0 496.700 3.641 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@H](C)C1 ZINC001313898893 1071506722 /nfs/dbraw/zinc/50/67/22/1071506722.db2.gz CXZRVTHWHBTTIF-QUCCMNQESA-N 1 0 478.707 3.819 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001313899621 1071507909 /nfs/dbraw/zinc/50/79/09/1071507909.db2.gz WKYXXRNZPJEHFK-INIZCTEOSA-N 1 0 451.518 3.852 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001314993007 1071509403 /nfs/dbraw/zinc/50/94/03/1071509403.db2.gz YJJDXIKKTXFSDW-JOCHJYFZSA-N 1 0 470.637 3.627 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001313900601 1071509541 /nfs/dbraw/zinc/50/95/41/1071509541.db2.gz QKLIEKWXYMGHAY-NJYVYQBISA-N 1 0 490.693 3.943 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313902681 1071514350 /nfs/dbraw/zinc/51/43/50/1071514350.db2.gz IIOYERKVDNTWHM-NRFANRHFSA-N 1 0 470.687 3.845 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314993583 1071510333 /nfs/dbraw/zinc/51/03/33/1071510333.db2.gz IQZQFAVAFVDIKG-KMDXXIMOSA-N 1 0 496.700 3.886 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CCSC ZINC001313900964 1071510516 /nfs/dbraw/zinc/51/05/16/1071510516.db2.gz SVUFJVMPIVRPIH-TZIWHRDSSA-N 1 0 472.707 3.514 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001314994205 1071510789 /nfs/dbraw/zinc/51/07/89/1071510789.db2.gz RNZRYBZKOZHTPV-RBUKOAKNSA-N 1 0 459.038 3.825 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001313900996 1071510832 /nfs/dbraw/zinc/51/08/32/1071510832.db2.gz UEAHRRIUGAINMD-IRLDBZIGSA-N 1 0 458.695 3.826 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001313901469 1071511240 /nfs/dbraw/zinc/51/12/40/1071511240.db2.gz RIDBBYNVGJIXDJ-QHCPKHFHSA-N 1 0 452.647 3.622 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001314994690 1071511345 /nfs/dbraw/zinc/51/13/45/1071511345.db2.gz NVASDWWNFBZTMQ-VQTJNVASSA-N 1 0 482.673 3.600 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001313901698 1071511864 /nfs/dbraw/zinc/51/18/64/1071511864.db2.gz SRRBHLULGDVMOE-UNMCSNQZSA-N 1 0 484.664 3.871 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313901786 1071512689 /nfs/dbraw/zinc/51/26/89/1071512689.db2.gz GVQAJNOHRRHIHI-LJQANCHMSA-N 1 0 489.462 3.544 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)C[C@H]1CCCOC1 ZINC001313902346 1071513491 /nfs/dbraw/zinc/51/34/91/1071513491.db2.gz GFKYCAJGGRWZSV-WOJBJXKFSA-N 1 0 459.660 3.926 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001314999429 1071520409 /nfs/dbraw/zinc/52/04/09/1071520409.db2.gz BDTZRDBEIQYHKD-PMACEKPBSA-N 1 0 470.637 3.805 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 ZINC001313905133 1071520412 /nfs/dbraw/zinc/52/04/12/1071520412.db2.gz NKGPTRLVDIGZQL-CMKODMSKSA-N 1 0 488.658 3.706 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001313904985 1071520478 /nfs/dbraw/zinc/52/04/78/1071520478.db2.gz KKVRBFHBGIIGRC-YHDCXSKOSA-N 1 0 478.707 3.863 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001313905071 1071520666 /nfs/dbraw/zinc/52/06/66/1071520666.db2.gz SQSAQHGNHXWBGI-PKTZIBPZSA-N 1 0 482.673 3.651 20 0 JHADRO CNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001314999773 1071521001 /nfs/dbraw/zinc/52/10/01/1071521001.db2.gz GBDXMFKCKKMYAF-LJQANCHMSA-N 1 0 486.636 3.784 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313905410 1071521459 /nfs/dbraw/zinc/52/14/59/1071521459.db2.gz XBVIPLALRBHYAT-LEWJYISDSA-N 1 0 469.634 3.660 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001315000402 1071521651 /nfs/dbraw/zinc/52/16/51/1071521651.db2.gz NQRDVXRRRCLJRQ-FQEVSTJZSA-N 1 0 459.038 3.681 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(COC)CC1 ZINC001313906913 1071525701 /nfs/dbraw/zinc/52/57/01/1071525701.db2.gz SYLHCBBHLVKUNU-RTWAWAEBSA-N 1 0 474.650 3.617 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313905943 1071522748 /nfs/dbraw/zinc/52/27/48/1071522748.db2.gz WHTUFNYZUHWMEO-CPJSRVTESA-N 1 0 457.619 3.745 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H](C)c1ccccc1 ZINC001313905957 1071522921 /nfs/dbraw/zinc/52/29/21/1071522921.db2.gz WMUCMNBLYPDASE-TZIWHRDSSA-N 1 0 466.655 3.994 20 0 JHADRO CNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315002413 1071526978 /nfs/dbraw/zinc/52/69/78/1071526978.db2.gz ZNBWCWFNQHPSJI-SZPZYZBQSA-N 1 0 496.700 3.884 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001313907253 1071527418 /nfs/dbraw/zinc/52/74/18/1071527418.db2.gz ZZGBRQZDPOFEFY-CQSZACIVSA-N 1 0 484.489 3.612 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001313907251 1071527613 /nfs/dbraw/zinc/52/76/13/1071527613.db2.gz ZZGBRQZDPOFEFY-AWEZNQCLSA-N 1 0 484.489 3.612 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313907650 1071528146 /nfs/dbraw/zinc/52/81/46/1071528146.db2.gz JKISFLVLAYPQGU-HXUWFJFHSA-N 1 0 489.064 3.963 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)CC1 ZINC001315005118 1071531779 /nfs/dbraw/zinc/53/17/79/1071531779.db2.gz WKKYUTKMJDBBFK-HSZRJFAPSA-N 1 0 482.673 3.675 20 0 JHADRO CNC(=O)CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001315016252 1071536770 /nfs/dbraw/zinc/53/67/70/1071536770.db2.gz HAGIBCQZNCDMNI-NRFANRHFSA-N 1 0 482.673 3.872 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001313910569 1071535774 /nfs/dbraw/zinc/53/57/74/1071535774.db2.gz WZFOKRLCRADJLB-CVEARBPZSA-N 1 0 495.491 3.735 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313910834 1071537125 /nfs/dbraw/zinc/53/71/25/1071537125.db2.gz ZQRMPFWKFIJEBO-LADGPHEKSA-N 1 0 466.674 3.631 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313910835 1071537150 /nfs/dbraw/zinc/53/71/50/1071537150.db2.gz ZQRMPFWKFIJEBO-UPVQGACJSA-N 1 0 466.674 3.631 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313911000 1071537171 /nfs/dbraw/zinc/53/71/71/1071537171.db2.gz XVGWFVNPGVQHFX-HXUWFJFHSA-N 1 0 463.630 3.719 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC(=O)NC(C)C ZINC001313911064 1071537201 /nfs/dbraw/zinc/53/72/01/1071537201.db2.gz ZDRSFFGLYYIIIH-LJQANCHMSA-N 1 0 491.478 3.851 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313911544 1071537552 /nfs/dbraw/zinc/53/75/52/1071537552.db2.gz CVJJHUHSYSTKHA-CPJSRVTESA-N 1 0 457.619 3.745 20 0 JHADRO CNC(=O)CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001315017704 1071538217 /nfs/dbraw/zinc/53/82/17/1071538217.db2.gz WKGMQJKCIDVAPN-VQTJNVASSA-N 1 0 486.636 3.642 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001313912113 1071538478 /nfs/dbraw/zinc/53/84/78/1071538478.db2.gz MMKORZHCSVHQTG-FGZHOGPDSA-N 1 0 468.646 3.657 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CC=CCC2)CC1 ZINC001315021038 1071542112 /nfs/dbraw/zinc/54/21/12/1071542112.db2.gz KMVKYZVPKVIZSZ-UHFFFAOYSA-N 1 0 477.440 3.866 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001313912702 1071540590 /nfs/dbraw/zinc/54/05/90/1071540590.db2.gz WVGQGPJGGNEZGR-FQEVSTJZSA-N 1 0 453.566 3.654 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001313911034 1071537037 /nfs/dbraw/zinc/53/70/37/1071537037.db2.gz YOQWNCBVYZCCEE-HXUWFJFHSA-N 1 0 459.660 3.531 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313913318 1071542885 /nfs/dbraw/zinc/54/28/85/1071542885.db2.gz XBAFDCOZRXXXJZ-TZIWHRDSSA-N 1 0 469.634 3.660 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001313913471 1071543558 /nfs/dbraw/zinc/54/35/58/1071543558.db2.gz POXJUBHCCVHDMW-VXKWHMMOSA-N 1 0 454.619 3.777 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001313914809 1071548630 /nfs/dbraw/zinc/54/86/30/1071548630.db2.gz NZLHNTSJVYLADE-YTFSRNRJSA-N 1 0 482.673 3.806 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccc3Br)n2CC[NH+](C(C)C)C(C)C)CC1=O ZINC001313915738 1071550977 /nfs/dbraw/zinc/55/09/77/1071550977.db2.gz KAANBOXAIRQZNX-UHFFFAOYSA-N 1 0 491.478 3.885 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](COC)C1 ZINC001313916138 1071552661 /nfs/dbraw/zinc/55/26/61/1071552661.db2.gz WJVFVBQUDVIIFI-FNAHDJPLSA-N 1 0 490.693 3.786 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(Cc2ccccc2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315030138 1071558957 /nfs/dbraw/zinc/55/89/57/1071558957.db2.gz QPHLYQDQZMFJMD-FQRUVTKNSA-N 1 0 454.663 3.650 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCc3ccc(Br)cc3C2)CC1 ZINC001313920760 1071559326 /nfs/dbraw/zinc/55/93/26/1071559326.db2.gz MGYQJPFYQGXFQC-GOSISDBHSA-N 1 0 475.479 3.753 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N(C)Cc2cc(Br)cs2)CC1 ZINC001313919833 1071558287 /nfs/dbraw/zinc/55/82/87/1071558287.db2.gz GONNRWHCWNAIFS-MRXNPFEDSA-N 1 0 469.497 3.888 20 0 JHADRO CCN1CCCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1=O ZINC001313920100 1071558699 /nfs/dbraw/zinc/55/86/99/1071558699.db2.gz BFZVLPJSUBRYLR-GOTSBHOMSA-N 1 0 496.700 3.715 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001315031448 1071560931 /nfs/dbraw/zinc/56/09/31/1071560931.db2.gz MYIWSDGKYXLAOE-SFHVURJKSA-N 1 0 491.478 3.648 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315031666 1071561672 /nfs/dbraw/zinc/56/16/72/1071561672.db2.gz UCAWSNMQWBYCIZ-XHCCPWGMSA-N 1 0 477.657 3.885 20 0 JHADRO CCN1CCCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001313921547 1071561876 /nfs/dbraw/zinc/56/18/76/1071561876.db2.gz ORHDQZCIDNMGOD-QFIPXVFZSA-N 1 0 482.673 3.735 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2ccon2)CC1 ZINC001313921576 1071561983 /nfs/dbraw/zinc/56/19/83/1071561983.db2.gz QLFSMQKYNHYGLZ-OALUTQOASA-N 1 0 488.036 3.722 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313922335 1071563917 /nfs/dbraw/zinc/56/39/17/1071563917.db2.gz VTIHYPMTPPHSEK-LEWJYISDSA-N 1 0 470.662 3.615 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315033805 1071565306 /nfs/dbraw/zinc/56/53/06/1071565306.db2.gz NAGUUUKXJXYUKY-INIZCTEOSA-N 1 0 495.441 3.541 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC=C(C)C2)CC1 ZINC001313922961 1071565672 /nfs/dbraw/zinc/56/56/72/1071565672.db2.gz ZAAHUMWSXJUNNU-NHCUHLMSSA-N 1 0 456.610 3.740 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313923927 1071568670 /nfs/dbraw/zinc/56/86/70/1071568670.db2.gz BBEMCZAZJKPIDN-TZIWHRDSSA-N 1 0 458.651 3.656 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313924622 1071570817 /nfs/dbraw/zinc/57/08/17/1071570817.db2.gz HMSYFCIFDMALIW-GOSISDBHSA-N 1 0 478.563 3.679 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001313924590 1071570942 /nfs/dbraw/zinc/57/09/42/1071570942.db2.gz HAQBOBYDMCUCPU-KRWDZBQOSA-N 1 0 460.051 3.717 20 0 JHADRO CCN1CCCN(c2nnc(COc3ccc(F)cc3)n2CCCC[NH+]2CCC(C)CC2)CC1=O ZINC001313924860 1071572297 /nfs/dbraw/zinc/57/22/97/1071572297.db2.gz PCVHFFAPRZOWFN-UHFFFAOYSA-N 1 0 486.636 3.567 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)cc2)CC1 ZINC001313925245 1071572622 /nfs/dbraw/zinc/57/26/22/1071572622.db2.gz OCNJSJNVQKWAGI-SFHVURJKSA-N 1 0 486.462 3.698 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cccs2)CC1 ZINC001313926771 1071577441 /nfs/dbraw/zinc/57/74/41/1071577441.db2.gz XYJBXJBCRBYNKG-IBGZPJMESA-N 1 0 454.644 3.678 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(N3CCC(Oc4ccc(F)cc4F)CC3)nnc2C(C)(C)C)CC1 ZINC001313926751 1071577488 /nfs/dbraw/zinc/57/74/88/1071577488.db2.gz GEVMYQNKLKYZST-IBGZPJMESA-N 1 0 490.643 3.928 20 0 JHADRO CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001313926762 1071577603 /nfs/dbraw/zinc/57/76/03/1071577603.db2.gz XVYNYLRZTZHKRE-MRXNPFEDSA-N 1 0 467.431 3.719 20 0 JHADRO CNC(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001315045864 1071577649 /nfs/dbraw/zinc/57/76/49/1071577649.db2.gz UDMDWDRNRDTMEP-INIZCTEOSA-N 1 0 465.429 3.700 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N(C)CC2CCOCC2)CC1 ZINC001313926695 1071577720 /nfs/dbraw/zinc/57/77/20/1071577720.db2.gz FQNUDFBWXOPHDJ-JOCHJYFZSA-N 1 0 486.730 3.768 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CCOc3ccccc3)nnc2N(C)C2CCCCC2)CC1 ZINC001313926871 1071578193 /nfs/dbraw/zinc/57/81/93/1071578193.db2.gz HGAPLXIRWKVUKU-JOCHJYFZSA-N 1 0 454.663 3.695 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313926961 1071578248 /nfs/dbraw/zinc/57/82/48/1071578248.db2.gz GOUGLMFMUUUXPM-NFBKMPQASA-N 1 0 490.693 3.600 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313926962 1071578292 /nfs/dbraw/zinc/57/82/92/1071578292.db2.gz GOUGLMFMUUUXPM-NZQKXSOJSA-N 1 0 490.693 3.600 20 0 JHADRO CNC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001315051660 1071578963 /nfs/dbraw/zinc/57/89/63/1071578963.db2.gz DMAHLTFVIHXUOM-UHFFFAOYSA-N 1 0 482.673 3.745 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC(C)C)CC1 ZINC001313927217 1071579326 /nfs/dbraw/zinc/57/93/26/1071579326.db2.gz INCTYDYICQNZPE-YADHBBJMSA-N 1 0 491.725 3.858 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313927719 1071581289 /nfs/dbraw/zinc/58/12/89/1071581289.db2.gz JUAOKIBDSLSTOO-FYYLOGMGSA-N 1 0 461.658 3.914 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313927800 1071581952 /nfs/dbraw/zinc/58/19/52/1071581952.db2.gz NKQPVTNGAYJNGG-DHIUTWEWSA-N 1 0 484.689 3.540 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313927862 1071582096 /nfs/dbraw/zinc/58/20/96/1071582096.db2.gz PKRCZOXRBBYQGN-SSGKUCQKSA-N 1 0 492.778 3.945 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313928249 1071583034 /nfs/dbraw/zinc/58/30/34/1071583034.db2.gz SYYLXJGZEDUILL-NEKDWFFYSA-N 1 0 498.716 3.833 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313929086 1071585919 /nfs/dbraw/zinc/58/59/19/1071585919.db2.gz XLLVMFWZFTUHND-QHCPKHFHSA-N 1 0 477.657 3.531 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001315074663 1071587119 /nfs/dbraw/zinc/58/71/19/1071587119.db2.gz RKFGVOZSHIJWJF-ZVDOUQERSA-N 1 0 457.619 3.994 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001313930095 1071588120 /nfs/dbraw/zinc/58/81/20/1071588120.db2.gz VBECXUWHJOHEBT-SFHVURJKSA-N 1 0 488.105 3.950 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(OC)CCCCC2)C[C@@H]1C ZINC001313930273 1071588885 /nfs/dbraw/zinc/58/88/85/1071588885.db2.gz BABWSQYUOMWAGI-KRWDZBQOSA-N 1 0 479.467 3.926 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)C[C@H]1C ZINC001313930359 1071589395 /nfs/dbraw/zinc/58/93/95/1071589395.db2.gz LZABFIKSFXXSPM-MOPGFXCFSA-N 1 0 472.609 3.537 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)C[C@@H]1C ZINC001313930360 1071589556 /nfs/dbraw/zinc/58/95/56/1071589556.db2.gz LZABFIKSFXXSPM-OALUTQOASA-N 1 0 472.609 3.537 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313930615 1071589968 /nfs/dbraw/zinc/58/99/68/1071589968.db2.gz WCRVSNJUQJPQNK-GOSISDBHSA-N 1 0 458.701 3.963 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(CSC)c2)C[C@H]1C ZINC001313930883 1071590381 /nfs/dbraw/zinc/59/03/81/1071590381.db2.gz CZUWPWRBOXDNEG-CJFMBICVSA-N 1 0 473.687 3.760 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001313931422 1071591834 /nfs/dbraw/zinc/59/18/34/1071591834.db2.gz UBWNCIFDQMGHJG-JOCHJYFZSA-N 1 0 464.662 3.639 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001313931886 1071593519 /nfs/dbraw/zinc/59/35/19/1071593519.db2.gz SRFKFUCSHCMOJW-QZTJIDSGSA-N 1 0 464.680 3.529 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNC(=O)c2occc2C)C[C@H]1C ZINC001313932020 1071595015 /nfs/dbraw/zinc/59/50/15/1071595015.db2.gz GZKPOKIBUPLBMS-GOSISDBHSA-N 1 0 471.005 3.850 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccccc2C)C[C@@H]1C ZINC001313933636 1071598451 /nfs/dbraw/zinc/59/84/51/1071598451.db2.gz LZHQAOLCMWCIOS-KRWDZBQOSA-N 1 0 473.419 3.954 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)c2ccsc2)C[C@H]1C ZINC001313934111 1071601075 /nfs/dbraw/zinc/60/10/75/1071601075.db2.gz OLYDBCFDQLBRBJ-CLOONOSVSA-N 1 0 482.654 3.647 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nccn2C(F)F)C[C@H]1C ZINC001313935094 1071604619 /nfs/dbraw/zinc/60/46/19/1071604619.db2.gz WGFWQZIHRWZYEN-CQSZACIVSA-N 1 0 480.361 3.878 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313936822 1071609586 /nfs/dbraw/zinc/60/95/86/1071609586.db2.gz QJPPHQWNQRPEMY-KRWDZBQOSA-N 1 0 490.530 3.977 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2sccc2Br)C[C@@H]1C ZINC001313935784 1071606589 /nfs/dbraw/zinc/60/65/89/1071606589.db2.gz YQYPZHHJQYOWQL-HRAATJIYSA-N 1 0 498.491 3.721 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)C2CC2)C[C@@H]1C ZINC001313936655 1071609034 /nfs/dbraw/zinc/60/90/34/1071609034.db2.gz HJOOMXFDFYSLTP-FPOVZHCZSA-N 1 0 490.693 3.943 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313938685 1071612182 /nfs/dbraw/zinc/61/21/82/1071612182.db2.gz WHHAZLARMCEZEL-VQIMIIECSA-N 1 0 464.010 3.769 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(CC)CCOCC2)C[C@@H]1C ZINC001313938308 1071612200 /nfs/dbraw/zinc/61/22/00/1071612200.db2.gz ZBEMFYVWMDNMDV-IBGZPJMESA-N 1 0 457.619 3.700 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C)cc2OCCOC)C[C@H]1C ZINC001313940234 1071614080 /nfs/dbraw/zinc/61/40/80/1071614080.db2.gz KTMIHFSHOGPEHJ-OAQYLSRUSA-N 1 0 455.647 3.923 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ncccc2N(C)C)C[C@H]1C ZINC001313941185 1071616165 /nfs/dbraw/zinc/61/61/65/1071616165.db2.gz AHKXHYQDZIOAEB-OAQYLSRUSA-N 1 0 463.630 3.514 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Oc2cccc(OC)c2)C[C@H]1C ZINC001313941495 1071617491 /nfs/dbraw/zinc/61/74/91/1071617491.db2.gz VMQMPWOZSIHDTA-QZTJIDSGSA-N 1 0 470.643 3.640 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)N2CCOCC2)C[C@@H]1C ZINC001313941433 1071617670 /nfs/dbraw/zinc/61/76/70/1071617670.db2.gz CXOKBCWUTNMKJW-QFIPXVFZSA-N 1 0 498.716 3.796 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cscc2C)C[C@@H]1C ZINC001313942476 1071620338 /nfs/dbraw/zinc/62/03/38/1071620338.db2.gz IAXMEVIEXDVRQB-CMKODMSKSA-N 1 0 474.675 3.997 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313942574 1071620731 /nfs/dbraw/zinc/62/07/31/1071620731.db2.gz KDPGHUBCFULOOW-AZUAARDMSA-N 1 0 469.552 3.972 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313942817 1071621400 /nfs/dbraw/zinc/62/14/00/1071621400.db2.gz OHPUYTWJKAXMAV-WOJBJXKFSA-N 1 0 472.634 3.609 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(-c4ccc(OC)cc4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)C1=O ZINC001313945363 1071626233 /nfs/dbraw/zinc/62/62/33/1071626233.db2.gz NOVSBNITHZDZCA-QHCPKHFHSA-N 1 0 497.688 3.656 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)(C)CC)C2)CC1 ZINC001313945618 1071626781 /nfs/dbraw/zinc/62/67/81/1071626781.db2.gz RSPVFJUVFRSSFN-SFHVURJKSA-N 1 0 478.483 3.688 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCc2cnn(C)n2)C[C@H]1C ZINC001313943999 1071624457 /nfs/dbraw/zinc/62/44/57/1071624457.db2.gz XVCUSTIOQJEZMC-OAQYLSRUSA-N 1 0 480.661 3.581 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)C)n3C[C@@H](C)Cc3ccc(OC)cc3)C2)CC1 ZINC001313944278 1071624563 /nfs/dbraw/zinc/62/45/63/1071624563.db2.gz ZHIAUWLCDZHEJG-GMAHTHKFSA-N 1 0 454.663 3.505 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCCCO)C2)CC1 ZINC001313944327 1071624588 /nfs/dbraw/zinc/62/45/88/1071624588.db2.gz AXIZBAKIGQUQCH-DEOSSOPVSA-N 1 0 468.690 3.621 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3cccnc3)n2CCc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001313946156 1071627945 /nfs/dbraw/zinc/62/79/45/1071627945.db2.gz OWIKWQFUJFVDGY-HNNXBMFYSA-N 1 0 465.549 3.512 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(C)o4)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313944929 1071625714 /nfs/dbraw/zinc/62/57/14/1071625714.db2.gz JRCDWOLXQAZITF-PZJWPPBQSA-N 1 0 460.692 3.840 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2csc([C@@H](C)OC)n2)C[C@@H]1C ZINC001313947427 1071631655 /nfs/dbraw/zinc/63/16/55/1071631655.db2.gz HCIFTFBFNFHNOW-ZWKOTPCHSA-N 1 0 486.642 3.608 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCCSC)C2)CC1 ZINC001313947852 1071632702 /nfs/dbraw/zinc/63/27/02/1071632702.db2.gz CXZPKAIKWKSOOZ-BHDDXSALSA-N 1 0 478.751 3.556 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(CC(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)CC2)C1=O ZINC001313947980 1071633431 /nfs/dbraw/zinc/63/34/31/1071633431.db2.gz OLJAABHVIMJIPN-NRFANRHFSA-N 1 0 473.691 3.567 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001313950747 1071639381 /nfs/dbraw/zinc/63/93/81/1071639381.db2.gz QNLRGTORTACJIJ-LEWJYISDSA-N 1 0 475.081 3.735 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cc(F)ccc3SC)C2)CC1 ZINC001313949496 1071636455 /nfs/dbraw/zinc/63/64/55/1071636455.db2.gz YUCSKCPQDGWXJE-NRFANRHFSA-N 1 0 474.694 3.992 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3)nnc2N(C)Cc2scnc2C)CC1 ZINC001313949793 1071636830 /nfs/dbraw/zinc/63/68/30/1071636830.db2.gz JYPYDEYLILPALK-IBGZPJMESA-N 1 0 453.660 3.620 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)Cc2cccs2)CC1 ZINC001313950040 1071637562 /nfs/dbraw/zinc/63/75/62/1071637562.db2.gz MBPHEARBMMMCES-FQEVSTJZSA-N 1 0 468.671 3.925 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313951315 1071641868 /nfs/dbraw/zinc/64/18/68/1071641868.db2.gz FPXRJBTVMSGXOG-FQEVSTJZSA-N 1 0 470.637 3.816 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001313951418 1071642311 /nfs/dbraw/zinc/64/23/11/1071642311.db2.gz TYICZGNMZPLALO-LJQANCHMSA-N 1 0 492.590 3.567 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001313951661 1071643075 /nfs/dbraw/zinc/64/30/75/1071643075.db2.gz ATYMSHGLTRXPFH-FCHUYYIVSA-N 1 0 458.695 3.628 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001313952045 1071643815 /nfs/dbraw/zinc/64/38/15/1071643815.db2.gz XHMOHPOCJFXDIP-PMACEKPBSA-N 1 0 475.081 3.876 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC([C@H]4CC4(F)F)CC3)nnc2C(C)(C)C)CC1 ZINC001313952148 1071644527 /nfs/dbraw/zinc/64/45/27/1071644527.db2.gz NQNOVJOLTPLPMU-UYAOXDASSA-N 1 0 452.638 3.721 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001313952442 1071645767 /nfs/dbraw/zinc/64/57/67/1071645767.db2.gz QEDBXBJZVCWPCD-VABKMULXSA-N 1 0 484.689 3.764 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001313952581 1071645829 /nfs/dbraw/zinc/64/58/29/1071645829.db2.gz GPLDUGCHIFYMEC-FQEVSTJZSA-N 1 0 470.065 3.847 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001313952694 1071646458 /nfs/dbraw/zinc/64/64/58/1071646458.db2.gz UBUJEXVHFNAAES-URXFXBBRSA-N 1 0 472.653 3.895 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313952906 1071647212 /nfs/dbraw/zinc/64/72/12/1071647212.db2.gz UVVNRCJCNSHZDK-SFTDATJTSA-N 1 0 491.080 3.714 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313954251 1071650519 /nfs/dbraw/zinc/65/05/19/1071650519.db2.gz MNBIMWHTIGEXQH-JAXLGGSGSA-N 1 0 490.643 3.921 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccccn3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313954214 1071650600 /nfs/dbraw/zinc/65/06/00/1071650600.db2.gz OUIJUAAUVZZJHZ-HSZRJFAPSA-N 1 0 453.679 3.554 20 0 JHADRO CCN1CC[NH+](CCCCn2c(COc3cc(C)ccc3C)nnc2N2CCS[C@@H](C)C2)CC1 ZINC001313954895 1071653627 /nfs/dbraw/zinc/65/36/27/1071653627.db2.gz WPBQNKGKCRMQDO-QHCPKHFHSA-N 1 0 486.730 3.833 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001313955228 1071654901 /nfs/dbraw/zinc/65/49/01/1071654901.db2.gz ZABKOSGPNONREM-KNQAVFIVSA-N 1 0 463.045 3.734 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccnc3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313956213 1071657570 /nfs/dbraw/zinc/65/75/70/1071657570.db2.gz XTNXRSNGPGXWQU-XZOQPEGZSA-N 1 0 461.658 3.854 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313958185 1071663004 /nfs/dbraw/zinc/66/30/04/1071663004.db2.gz PFITWSFESVPCET-HXUWFJFHSA-N 1 0 451.594 3.704 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3C)CC2)CC1 ZINC001313957283 1071660064 /nfs/dbraw/zinc/66/00/64/1071660064.db2.gz QMCGXUGWEGCSST-QHCPKHFHSA-N 1 0 481.733 3.775 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313957823 1071661098 /nfs/dbraw/zinc/66/10/98/1071661098.db2.gz JSQZABUJYDSLPI-LJQANCHMSA-N 1 0 491.080 3.638 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001313958173 1071662974 /nfs/dbraw/zinc/66/29/74/1071662974.db2.gz VBOMLLPFSHRLLH-HJOGWXRNSA-N 1 0 482.717 3.828 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccccc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313958051 1071663103 /nfs/dbraw/zinc/66/31/03/1071663103.db2.gz NYZYFYOMFDNGKO-NRFANRHFSA-N 1 0 480.579 3.520 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCCC2(C)C)CC1 ZINC001313958108 1071663158 /nfs/dbraw/zinc/66/31/58/1071663158.db2.gz UCKOSGKRIKVKCZ-QFIPXVFZSA-N 1 0 468.690 3.724 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C)CC2)CC1 ZINC001313958330 1071663532 /nfs/dbraw/zinc/66/35/32/1071663532.db2.gz ALAUYIMZBPKOOW-QFIPXVFZSA-N 1 0 489.709 3.614 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001313960108 1071668555 /nfs/dbraw/zinc/66/85/55/1071668555.db2.gz DQNYXNHPPDPXCP-QHCPKHFHSA-N 1 0 498.716 3.797 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001313958833 1071665098 /nfs/dbraw/zinc/66/50/98/1071665098.db2.gz YGUMXVDQCFRRPF-RDGATRHJSA-N 1 0 498.716 3.609 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001313959818 1071667587 /nfs/dbraw/zinc/66/75/87/1071667587.db2.gz BBGNYIHNXCWNFF-FQEVSTJZSA-N 1 0 491.080 3.542 20 0 JHADRO CCn1nc(-c2nnc(N(C)CCCSC)n2C[C@@H](C)[NH+]2CCC(C)CC2)c2ccccc2c1=O ZINC001313960880 1071671776 /nfs/dbraw/zinc/67/17/76/1071671776.db2.gz PKEVUAVJGMHRCP-HXUWFJFHSA-N 1 0 497.713 3.985 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001313961016 1071671780 /nfs/dbraw/zinc/67/17/80/1071671780.db2.gz OQMULJHKKDNAOI-XZOQPEGZSA-N 1 0 486.730 3.832 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001313961620 1071673422 /nfs/dbraw/zinc/67/34/22/1071673422.db2.gz VKHURIOHDSIEQW-UHFFFAOYSA-N 1 0 454.594 3.573 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001313963188 1071677118 /nfs/dbraw/zinc/67/71/18/1071677118.db2.gz KSEUMFGCXOSKFI-FCHUYYIVSA-N 1 0 452.647 3.657 20 0 JHADRO CCn1nc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC(C)(C)CCOC)c2ccccc2c1=O ZINC001313967731 1071689750 /nfs/dbraw/zinc/68/97/50/1071689750.db2.gz SWIZHAISJSRVAA-UHFFFAOYSA-N 1 0 495.672 3.704 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001313971911 1071697166 /nfs/dbraw/zinc/69/71/66/1071697166.db2.gz QTBBQWOQROWAMP-UHFFFAOYSA-N 1 0 465.646 3.566 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313976672 1071709017 /nfs/dbraw/zinc/70/90/17/1071709017.db2.gz HPJJVTBTCOFHEO-AKIFATBCSA-N 1 0 482.673 3.781 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313993441 1071727770 /nfs/dbraw/zinc/72/77/70/1071727770.db2.gz HLUXEQYPIOHZRR-GOSISDBHSA-N 1 0 492.043 3.854 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCCC2)CC1 ZINC001314007683 1071743821 /nfs/dbraw/zinc/74/38/21/1071743821.db2.gz IMGHAXTZQBJDGP-UHFFFAOYSA-N 1 0 461.010 3.751 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001314013919 1071752553 /nfs/dbraw/zinc/75/25/53/1071752553.db2.gz LRNJLAONVLTCQZ-NRFANRHFSA-N 1 0 483.661 3.765 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001314014783 1071754583 /nfs/dbraw/zinc/75/45/83/1071754583.db2.gz SVGMGAYIJBLYNO-UHFFFAOYSA-N 1 0 490.674 3.731 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001314016235 1071759727 /nfs/dbraw/zinc/75/97/27/1071759727.db2.gz NLIKVUCGSPUXRJ-SFHVURJKSA-N 1 0 472.609 3.548 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001314017662 1071763704 /nfs/dbraw/zinc/76/37/04/1071763704.db2.gz VLHGRHRARSEWFS-CEMLEFRQSA-N 1 0 490.693 3.738 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001314018550 1071765900 /nfs/dbraw/zinc/76/59/00/1071765900.db2.gz AQFJPMJSFOTICQ-QGZVFWFLSA-N 1 0 493.450 3.716 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](CC)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001314021171 1071773175 /nfs/dbraw/zinc/77/31/75/1071773175.db2.gz CXOWLBJDNOBDMK-HSZRJFAPSA-N 1 0 482.673 3.982 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001314022698 1071776310 /nfs/dbraw/zinc/77/63/10/1071776310.db2.gz OBVFVXCFPXQLCY-FQEVSTJZSA-N 1 0 474.675 3.864 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001314022889 1071777607 /nfs/dbraw/zinc/77/76/07/1071777607.db2.gz DWLXVMHBTVOQRL-UHFFFAOYSA-N 1 0 488.608 3.539 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001314023096 1071778023 /nfs/dbraw/zinc/77/80/23/1071778023.db2.gz PXVMAEYREXSDPP-JOCHJYFZSA-N 1 0 468.646 3.606 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001314024006 1071780852 /nfs/dbraw/zinc/78/08/52/1071780852.db2.gz OQMZIGBGSMRTKE-QFIPXVFZSA-N 1 0 484.645 3.564 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001314024843 1071783982 /nfs/dbraw/zinc/78/39/82/1071783982.db2.gz YXDYUZPUMOXFKO-OAQYLSRUSA-N 1 0 498.653 3.808 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001314031520 1071805776 /nfs/dbraw/zinc/80/57/76/1071805776.db2.gz ZFRFKFGJEJJHSO-NNWRFLSQSA-N 1 0 484.645 3.787 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001314031109 1071804813 /nfs/dbraw/zinc/80/48/13/1071804813.db2.gz VKPPPWGIHPUFAK-SFTDATJTSA-N 1 0 456.635 3.902 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCC2)C1 ZINC001314032373 1071808901 /nfs/dbraw/zinc/80/89/01/1071808901.db2.gz KGYDRCZQAYPCOL-KRWDZBQOSA-N 1 0 479.000 3.937 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314033346 1071812923 /nfs/dbraw/zinc/81/29/23/1071812923.db2.gz OBTFBZCGOSBVRX-BJKOFHAPSA-N 1 0 498.672 3.579 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314033352 1071813505 /nfs/dbraw/zinc/81/35/05/1071813505.db2.gz OBTFBZCGOSBVRX-ZEQRLZLVSA-N 1 0 498.672 3.579 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(CC2CC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001314036299 1071826436 /nfs/dbraw/zinc/82/64/36/1071826436.db2.gz WKTRTDOKFHBIJQ-OAQYLSRUSA-N 1 0 460.667 3.846 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001314037838 1071831925 /nfs/dbraw/zinc/83/19/25/1071831925.db2.gz OLPOPUSIRUPSFG-UNMCSNQZSA-N 1 0 456.635 3.712 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CCC2CC[NH+](CC)CC2)C1 ZINC001314038180 1071833172 /nfs/dbraw/zinc/83/31/72/1071833172.db2.gz PNYBPRYTFUYEHL-QHCPKHFHSA-N 1 0 498.672 3.714 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314038332 1071834325 /nfs/dbraw/zinc/83/43/25/1071834325.db2.gz XFBNZSHNRQBHCE-UYAOXDASSA-N 1 0 490.624 3.860 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCC[N@H+](C)Cc2ccccc2)C1 ZINC001314038505 1071834998 /nfs/dbraw/zinc/83/49/98/1071834998.db2.gz JRIADQXRKXBBHW-HSZRJFAPSA-N 1 0 477.613 3.577 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001314039276 1071837352 /nfs/dbraw/zinc/83/73/52/1071837352.db2.gz VWVNCOWQSQSMLD-RTWAWAEBSA-N 1 0 484.576 3.619 20 0 JHADRO CCOC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001314043472 1071853036 /nfs/dbraw/zinc/85/30/36/1071853036.db2.gz FYSQSLCTZODIHU-QHCPKHFHSA-N 1 0 455.647 3.936 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC001314044256 1071855946 /nfs/dbraw/zinc/85/59/46/1071855946.db2.gz FSVRDPFAUGTBFU-FPOVZHCZSA-N 1 0 489.690 3.613 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccsc2)[NH+](CC)CC)C1 ZINC001314044773 1071857478 /nfs/dbraw/zinc/85/74/78/1071857478.db2.gz VSEQJMPLDLWVPA-NJDAHSKKSA-N 1 0 490.674 3.989 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001314046571 1071863227 /nfs/dbraw/zinc/86/32/27/1071863227.db2.gz WERJWBVYKPRQAU-FPOVZHCZSA-N 1 0 474.675 3.910 20 0 JHADRO CCO[C@@H](C)c1noc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001314063059 1071903401 /nfs/dbraw/zinc/90/34/01/1071903401.db2.gz NPGJPRXKBBNUHX-PMACEKPBSA-N 1 0 482.633 3.886 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CCOC1 ZINC001314076231 1071933452 /nfs/dbraw/zinc/93/34/52/1071933452.db2.gz ZWKHMLJQUMQJOX-CTIGNXTNSA-N 1 0 469.586 3.729 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCOC1 ZINC001314083047 1071947747 /nfs/dbraw/zinc/94/77/47/1071947747.db2.gz GZYRCYJTFXXQPR-CPJSRVTESA-N 1 0 477.600 3.965 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3ccccc3Br)n2CCC[NH+]2CCCC2)CCOC1 ZINC001314083449 1071948861 /nfs/dbraw/zinc/94/88/61/1071948861.db2.gz RMSDSFZKMNUQGH-HSZRJFAPSA-N 1 0 492.462 3.815 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314088063 1071962378 /nfs/dbraw/zinc/96/23/78/1071962378.db2.gz DDGDSSNKRHEMAZ-HOYKHHGWSA-N 1 0 476.691 3.842 20 0 JHADRO CCO[C@]1(c2nnc(N(C)CCC(F)F)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CCOC1 ZINC001314091977 1071969235 /nfs/dbraw/zinc/96/92/35/1071969235.db2.gz WBKHRSFYIAQGBM-IUKKYPGJSA-N 1 0 457.610 3.778 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@H](C)c2ccc(F)cc2)CCOC1 ZINC001314098151 1071978961 /nfs/dbraw/zinc/97/89/61/1071978961.db2.gz YGFSVZPIZFIUCM-UVPKRVSESA-N 1 0 459.610 3.792 20 0 JHADRO 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CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC[NH+]2CCSCC2)s1 ZINC001306002161 1068374426 /nfs/dbraw/zinc/37/44/26/1068374426.db2.gz FEVWGTFYHSIRNV-HBFSDRIKSA-N 1 0 494.731 3.576 20 0 JHADRO CCc1nc(CN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@@H+]2CCc3ccccc3C2)cs1 ZINC001306024986 1068418990 /nfs/dbraw/zinc/41/89/90/1068418990.db2.gz LLVHRICRZISZPH-UHFFFAOYSA-N 1 0 495.697 3.909 20 0 JHADRO CCc1nc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCCCC2)cs1 ZINC001306025607 1068420206 /nfs/dbraw/zinc/42/02/06/1068420206.db2.gz OWCYIEHIPJRZHK-UHFFFAOYSA-N 1 0 482.658 3.845 20 0 JHADRO CCc1nc(CN(C)c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001306031081 1068431528 /nfs/dbraw/zinc/43/15/28/1068431528.db2.gz KUAWWALKHAUPCL-KDURUIRLSA-N 1 0 483.686 3.807 20 0 JHADRO CCc1nc(CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cs1 ZINC001306032214 1068434529 /nfs/dbraw/zinc/43/45/29/1068434529.db2.gz FTXBCBXOIIZDNT-FQEVSTJZSA-N 1 0 474.700 3.943 20 0 JHADRO CCc1nc(CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)cs1 ZINC001306033975 1068437630 /nfs/dbraw/zinc/43/76/30/1068437630.db2.gz SUEXUOLVVVXAJV-XLIONFOSSA-N 1 0 458.607 3.879 20 0 JHADRO CCc1nc(CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)cs1 ZINC001306033974 1068437673 /nfs/dbraw/zinc/43/76/73/1068437673.db2.gz SUEXUOLVVVXAJV-PXNSSMCTSA-N 1 0 458.607 3.879 20 0 JHADRO CCc1nn(C)c(CC)c1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001306043728 1068461509 /nfs/dbraw/zinc/46/15/09/1068461509.db2.gz SCVYNYPKBXHCCR-RBUKOAKNSA-N 1 0 495.672 3.788 20 0 JHADRO CCc1nn(C)c(CC)c1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001306043726 1068461586 /nfs/dbraw/zinc/46/15/86/1068461586.db2.gz SCVYNYPKBXHCCR-MOPGFXCFSA-N 1 0 495.672 3.788 20 0 JHADRO CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306069185 1068504675 /nfs/dbraw/zinc/50/46/75/1068504675.db2.gz RXUWGOKPGCONQY-VXKWHMMOSA-N 1 0 466.674 3.950 20 0 JHADRO CCc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001306071637 1068505872 /nfs/dbraw/zinc/50/58/72/1068505872.db2.gz WIRCWGWQVQWKAG-UHFFFAOYSA-N 1 0 477.535 3.585 20 0 JHADRO CCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CCCCn1cc(Br)cn1 ZINC001306071765 1068506327 /nfs/dbraw/zinc/50/63/27/1068506327.db2.gz YTQJXIDXURYSRA-NRFANRHFSA-N 1 0 486.462 3.991 20 0 JHADRO CCc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306082376 1068512102 /nfs/dbraw/zinc/51/21/02/1068512102.db2.gz VBZQVPBFVBSIIK-IAGOWNOFSA-N 1 0 455.573 3.987 20 0 JHADRO CCc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001306083468 1068512568 /nfs/dbraw/zinc/51/25/68/1068512568.db2.gz SEWDZPTYHAFKNP-KRWDZBQOSA-N 1 0 480.560 3.567 20 0 JHADRO CCc1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001306085534 1068513520 /nfs/dbraw/zinc/51/35/20/1068513520.db2.gz JPISJLABHYTTML-QFIPXVFZSA-N 1 0 455.647 3.978 20 0 JHADRO CCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCc1ccc(C)c(OC)c1 ZINC001306093121 1068516296 /nfs/dbraw/zinc/51/62/96/1068516296.db2.gz WQGSTHPDVGDODD-SQJMNOBHSA-N 1 0 465.646 3.653 20 0 JHADRO CCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)Oc1ccccc1OC ZINC001306092986 1068516633 /nfs/dbraw/zinc/51/66/33/1068516633.db2.gz UUFSNDFGVGODKY-OHUGHZGNSA-N 1 0 481.645 3.569 20 0 JHADRO CCc1nnc(N(CC)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001306098944 1068517614 /nfs/dbraw/zinc/51/76/14/1068517614.db2.gz NHPZBTRSVFBIIM-IBGZPJMESA-N 1 0 481.626 3.889 20 0 JHADRO CCc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001306117033 1068524175 /nfs/dbraw/zinc/52/41/75/1068524175.db2.gz BAUDWQHGHYJZEF-FYYLOGMGSA-N 1 0 452.647 3.840 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001306118760 1068526214 /nfs/dbraw/zinc/52/62/14/1068526214.db2.gz VAJPNPCYOIJDSW-NRFANRHFSA-N 1 0 458.676 3.824 20 0 JHADRO CCc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001306122243 1068531108 /nfs/dbraw/zinc/53/11/08/1068531108.db2.gz FPKOFPRRXOSAAJ-KHCICDEESA-N 1 0 473.637 3.817 20 0 JHADRO CCc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001306125182 1068532629 /nfs/dbraw/zinc/53/26/29/1068532629.db2.gz UKEMCKKPPQKIRM-JOCHJYFZSA-N 1 0 462.038 3.555 20 0 JHADRO CCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001306133284 1068535814 /nfs/dbraw/zinc/53/58/14/1068535814.db2.gz DVBMEOBZEWOVFL-NRFANRHFSA-N 1 0 456.635 3.644 20 0 JHADRO CCc1nnc(N2CCC(Oc3c(OC)cccc3OC)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001306145847 1068548455 /nfs/dbraw/zinc/54/84/55/1068548455.db2.gz BKWQGJMNLMQRAT-IBGZPJMESA-N 1 0 457.619 3.637 20 0 JHADRO CCc1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001306146472 1068549680 /nfs/dbraw/zinc/54/96/80/1068549680.db2.gz OEGZMADIXXCLOJ-DEOSSOPVSA-N 1 0 487.664 3.691 20 0 JHADRO CCc1nnc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001306152314 1068552552 /nfs/dbraw/zinc/55/25/52/1068552552.db2.gz MWORIEDXCFWGOU-UHFFFAOYSA-N 1 0 473.687 3.546 20 0 JHADRO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001306157165 1068555182 /nfs/dbraw/zinc/55/51/82/1068555182.db2.gz NBSPZVLWXCYUOH-SFTDATJTSA-N 1 0 453.635 3.519 20 0 JHADRO CCc1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001306161286 1068557513 /nfs/dbraw/zinc/55/75/13/1068557513.db2.gz IFXOGSZJZIRDMB-FPOVZHCZSA-N 1 0 487.718 3.747 20 0 JHADRO CCc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001306165335 1068561080 /nfs/dbraw/zinc/56/10/80/1068561080.db2.gz PLXYDRKODZDEMQ-JTHBVZDNSA-N 1 0 452.647 3.607 20 0 JHADRO CCc1nnc(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)n1CC[N@@H+](C)[C@H](C)CC ZINC001306165802 1068561544 /nfs/dbraw/zinc/56/15/44/1068561544.db2.gz KKEOGTHXNBBYLS-RTWAWAEBSA-N 1 0 455.651 3.917 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001306166928 1068562828 /nfs/dbraw/zinc/56/28/28/1068562828.db2.gz YDSUHRFFVIOTJB-IRLDBZIGSA-N 1 0 473.687 3.578 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001306185604 1068576301 /nfs/dbraw/zinc/57/63/01/1068576301.db2.gz MCGFAUOWNQZWLY-HXUWFJFHSA-N 1 0 470.618 3.615 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001306185603 1068576341 /nfs/dbraw/zinc/57/63/41/1068576341.db2.gz MCGFAUOWNQZWLY-FQEVSTJZSA-N 1 0 470.618 3.615 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001306188779 1068581347 /nfs/dbraw/zinc/58/13/47/1068581347.db2.gz PQEPAYOMTMNQIQ-JOCHJYFZSA-N 1 0 484.645 3.743 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001306188734 1068581538 /nfs/dbraw/zinc/58/15/38/1068581538.db2.gz NWLQNQCIJPBYHW-MRXNPFEDSA-N 1 0 462.561 3.560 20 0 JHADRO CCc1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001306193093 1068583893 /nfs/dbraw/zinc/58/38/93/1068583893.db2.gz AZBCDQBZZBCYEO-FQEVSTJZSA-N 1 0 468.671 3.774 20 0 JHADRO CCc1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306198066 1068590481 /nfs/dbraw/zinc/59/04/81/1068590481.db2.gz WGIOPQYLIQEZGP-TZIWHRDSSA-N 1 0 454.667 3.509 20 0 JHADRO CCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001306203793 1068593784 /nfs/dbraw/zinc/59/37/84/1068593784.db2.gz QQXVPHXVDWZQPF-FQEVSTJZSA-N 1 0 455.500 3.763 20 0 JHADRO CCc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCc1c(OC)cc(OC)cc1OC ZINC001306203838 1068594448 /nfs/dbraw/zinc/59/44/48/1068594448.db2.gz SJTKLNWLQAJYRT-UHFFFAOYSA-N 1 0 457.619 3.564 20 0 JHADRO CCc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001306216840 1068604139 /nfs/dbraw/zinc/60/41/39/1068604139.db2.gz ZVDFLPIIBIWTRI-PGRDOPGGSA-N 1 0 495.499 3.999 20 0 JHADRO CCc1nnc(N2CCO[C@@H](c3ccccc3C)C2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001306218125 1068605448 /nfs/dbraw/zinc/60/54/48/1068605448.db2.gz BHYBIPVMQHFYCH-BJKOFHAPSA-N 1 0 455.647 3.864 20 0 JHADRO CCc1nnc(N2CCO[C@@H](c3ccccc3C)C2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001306218127 1068605479 /nfs/dbraw/zinc/60/54/79/1068605479.db2.gz BHYBIPVMQHFYCH-DNQXCXABSA-N 1 0 455.647 3.864 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001306219171 1068606790 /nfs/dbraw/zinc/60/67/90/1068606790.db2.gz CIPSKYIYWXMZPH-HKUYNNGSSA-N 1 0 457.579 3.601 20 0 JHADRO CCc1noc([C@H](C)N2CCN(c3nnc([C@@H](C)CC)n3C[C@@H](c3ccsc3)[NH+](C)C)CC2)n1 ZINC001306229270 1068614452 /nfs/dbraw/zinc/61/44/52/1068614452.db2.gz KLXVVCMNITVOQA-BJLQDIEVSA-N 1 0 486.690 3.985 20 0 JHADRO CCc1noc([C@@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001306231275 1068618066 /nfs/dbraw/zinc/61/80/66/1068618066.db2.gz BBNXJJJYWMJTTK-HXUWFJFHSA-N 1 0 474.698 3.814 20 0 JHADRO CCc1noc([C@H](C)N2CCN(c3nnc([C@H](C)CC)n3CCC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC001306231160 1068618099 /nfs/dbraw/zinc/61/80/99/1068618099.db2.gz ZKFLRKBNGXNLDW-HKBOAZHASA-N 1 0 472.682 3.885 20 0 JHADRO CCc1noc([C@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@@H](C3CCCCC3)[NH+](C)C)CC2)n1 ZINC001306232069 1068620854 /nfs/dbraw/zinc/62/08/54/1068620854.db2.gz OYCNORLNYBTMDX-UNMCSNQZSA-N 1 0 486.709 3.816 20 0 JHADRO CCc1nsc(N2CCCN(c3nnc(-c4ccc(Cl)cc4F)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001306239238 1068634676 /nfs/dbraw/zinc/63/46/76/1068634676.db2.gz CIQIXROVVKYWPC-HNNXBMFYSA-N 1 0 493.056 3.818 20 0 JHADRO CCc1nsc(N2CCCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)CC2)n1 ZINC001306240717 1068641286 /nfs/dbraw/zinc/64/12/86/1068641286.db2.gz JKNJFLVNNZLQCU-UHFFFAOYSA-N 1 0 474.723 3.729 20 0 JHADRO CCc1nsc(N2CCN(c3nnc([C@H](C)CC)n3CC[N@@H+]3CCCC[C@H]3CC)CC2)n1 ZINC001306241076 1068643114 /nfs/dbraw/zinc/64/31/14/1068643114.db2.gz ZFYSXHOBDSTMNP-RTBURBONSA-N 1 0 460.696 3.797 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001306246616 1068654757 /nfs/dbraw/zinc/65/47/57/1068654757.db2.gz UOELRAHBUYLTBN-RZUBCFFCSA-N 1 0 486.636 3.640 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)s2)n1CC1([NH+](C)C)CCCCC1 ZINC001306249091 1068659553 /nfs/dbraw/zinc/65/95/53/1068659553.db2.gz YBNKBZPTYINYDB-OAHLLOKOSA-N 1 0 495.491 3.748 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CC(C)(C)C[NH+](C)C ZINC001306256260 1068663463 /nfs/dbraw/zinc/66/34/63/1068663463.db2.gz GHCSXKJJXDBFPA-OAQYLSRUSA-N 1 0 470.662 3.592 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001306261565 1068671955 /nfs/dbraw/zinc/67/19/55/1068671955.db2.gz SQDVAJMMTWYIGJ-TUNNFDKTSA-N 1 0 470.687 3.714 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001306262464 1068673921 /nfs/dbraw/zinc/67/39/21/1068673921.db2.gz XWMUMNDRDWSRSM-GGAORHGYSA-N 1 0 482.673 3.744 20 0 JHADRO 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JHADRO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001306441261 1068949696 /nfs/dbraw/zinc/94/96/96/1068949696.db2.gz VVBUWCKBDZEDLL-DENIHFKCSA-N 1 0 462.038 3.638 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC[N@@H+]1CCOC ZINC001306442273 1068951002 /nfs/dbraw/zinc/95/10/02/1068951002.db2.gz ZYNVWYTUOTWRDY-MDNUFGMLSA-N 1 0 476.065 3.620 20 0 JHADRO CC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC2([NH+](C)C)CCOCC2)CCS1 ZINC001306450217 1068968115 /nfs/dbraw/zinc/96/81/15/1068968115.db2.gz IXBFIOQPJSFNHT-QFIPXVFZSA-N 1 0 473.687 3.917 20 0 JHADRO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC2CC[NH+](CCC(C)C)CC2)C[C@H](C)O1 ZINC001306450592 1068970151 /nfs/dbraw/zinc/97/01/51/1068970151.db2.gz QPLFMRPCYWNGAV-UPVQGACJSA-N 1 0 471.694 3.902 20 0 JHADRO CC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001306453855 1068974693 /nfs/dbraw/zinc/97/46/93/1068974693.db2.gz LMRQEBFGERATCV-GOTSBHOMSA-N 1 0 471.646 3.590 20 0 JHADRO 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CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001306499977 1069057936 /nfs/dbraw/zinc/05/79/36/1069057936.db2.gz YKQBIMMGXUDDDE-DENIHFKCSA-N 1 0 452.647 3.875 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306500311 1069059567 /nfs/dbraw/zinc/05/95/67/1069059567.db2.gz YNPYUUJQXARIBK-JTHBVZDNSA-N 1 0 452.647 3.951 20 0 JHADRO CC1CC[NH+](CCCCNC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)CC1 ZINC001310627563 1069069115 /nfs/dbraw/zinc/06/91/15/1069069115.db2.gz QRMHLDYBCQTVEL-UHFFFAOYSA-N 1 0 456.635 3.501 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001306502475 1069069588 /nfs/dbraw/zinc/06/95/88/1069069588.db2.gz KEJGJPHIPFYLLU-XPWALMASSA-N 1 0 486.636 3.847 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001306503379 1069073413 /nfs/dbraw/zinc/07/34/13/1069073413.db2.gz ZCGGFNHBIBLFOX-PCCBWWKXSA-N 1 0 455.651 3.526 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001306504126 1069075856 /nfs/dbraw/zinc/07/58/56/1069075856.db2.gz CPAVRFFEGIZXED-VXKWHMMOSA-N 1 0 458.626 3.804 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306507516 1069092443 /nfs/dbraw/zinc/09/24/43/1069092443.db2.gz SIUVMDGCGYHGGU-VQTJNVASSA-N 1 0 488.627 3.764 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001306507640 1069092952 /nfs/dbraw/zinc/09/29/52/1069092952.db2.gz PDTXWRCOIIKMKN-AOHZBQACSA-N 1 0 481.689 3.517 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001306507602 1069093090 /nfs/dbraw/zinc/09/30/90/1069093090.db2.gz OLEFVYLYTGCZTM-BJKOFHAPSA-N 1 0 466.674 3.937 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001306508943 1069097046 /nfs/dbraw/zinc/09/70/46/1069097046.db2.gz IGHAMVMQXWENQM-UHFFFAOYSA-N 1 0 482.673 3.720 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001306509385 1069098545 /nfs/dbraw/zinc/09/85/45/1069098545.db2.gz LZUGQBJJQUCMTJ-INIZCTEOSA-N 1 0 477.451 3.543 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001306511238 1069104854 /nfs/dbraw/zinc/10/48/54/1069104854.db2.gz XAEQVHVOMKDLQT-OAQYLSRUSA-N 1 0 468.646 3.713 20 0 JHADRO O=C(Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001310681932 1069107113 /nfs/dbraw/zinc/10/71/13/1069107113.db2.gz RTHNCVUYZDOFFD-UHFFFAOYSA-N 1 0 457.600 3.506 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001306512611 1069108956 /nfs/dbraw/zinc/10/89/56/1069108956.db2.gz MFXBFRLSQMYAEJ-IBGZPJMESA-N 1 0 487.718 3.641 20 0 JHADRO COc1ccc(NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)c(I)c1 ZINC001310688279 1069112189 /nfs/dbraw/zinc/11/21/89/1069112189.db2.gz ILQFNQVISWSSOB-UHFFFAOYSA-N 1 0 457.312 3.879 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306514998 1069116073 /nfs/dbraw/zinc/11/60/73/1069116073.db2.gz AHVKQVWCRJDLIS-YADHBBJMSA-N 1 0 467.662 3.593 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001306516964 1069124857 /nfs/dbraw/zinc/12/48/57/1069124857.db2.gz LFQGGLCDMLTCAK-XXBNENTESA-N 1 0 481.620 3.848 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001306516960 1069124868 /nfs/dbraw/zinc/12/48/68/1069124868.db2.gz LFQGGLCDMLTCAK-CVDCTZTESA-N 1 0 481.620 3.848 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001306517393 1069127192 /nfs/dbraw/zinc/12/71/92/1069127192.db2.gz NUYPXWLDGKSDIK-DENIHFKCSA-N 1 0 481.670 3.837 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@@H](C)[NH+](C)C)C1 ZINC001306517756 1069129122 /nfs/dbraw/zinc/12/91/22/1069129122.db2.gz BPVFWDVPGRMBEL-RTBURBONSA-N 1 0 451.619 3.509 20 0 JHADRO CC[NH+](CC)CC[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1)c1ccccc1 ZINC001310719705 1069133129 /nfs/dbraw/zinc/13/31/29/1069133129.db2.gz WOWIARNXTYFXBZ-FQEVSTJZSA-N 1 0 450.580 3.671 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001306519137 1069136127 /nfs/dbraw/zinc/13/61/27/1069136127.db2.gz WJMIMFKUMUUXEV-JTHBVZDNSA-N 1 0 467.662 3.593 20 0 JHADRO COc1ccc([C@H](CNC(=O)Nc2nnn(Cc3ccccc3F)c2C)[NH+]2CCCC2)cc1 ZINC001310724783 1069136270 /nfs/dbraw/zinc/13/62/70/1069136270.db2.gz OYLFPOFCQPLTLP-QFIPXVFZSA-N 1 0 452.534 3.741 20 0 JHADRO Cc1c(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001310724808 1069136804 /nfs/dbraw/zinc/13/68/04/1069136804.db2.gz PSZJGLZWKGJLOZ-SFHVURJKSA-N 1 0 450.509 3.993 20 0 JHADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cc(N3CCOCC3)ccc2Br)CC1 ZINC001310744166 1069146847 /nfs/dbraw/zinc/14/68/47/1069146847.db2.gz RYRIWNKVICURFA-UHFFFAOYSA-N 1 0 453.425 3.870 20 0 JHADRO COCc1cc(NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc(C(=O)OC)c1 ZINC001310787837 1069162803 /nfs/dbraw/zinc/16/28/03/1069162803.db2.gz LLRADCBGTFDFFG-QHCPKHFHSA-N 1 0 455.555 3.977 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001306528510 1069162822 /nfs/dbraw/zinc/16/28/22/1069162822.db2.gz IQGMRRFZFFTNAJ-XMMPIXPASA-N 1 0 480.028 3.837 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccccc2OC)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001306533025 1069176062 /nfs/dbraw/zinc/17/60/62/1069176062.db2.gz RZDPFHGXOYLELL-ISCCLHIJSA-N 1 0 485.673 3.830 20 0 JHADRO O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001310824166 1069179302 /nfs/dbraw/zinc/17/93/02/1069179302.db2.gz BHFDRDBSUNOLSF-MSOLQXFVSA-N 1 0 455.456 3.530 20 0 JHADRO CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)c2)c1 ZINC001310832384 1069183704 /nfs/dbraw/zinc/18/37/04/1069183704.db2.gz LTKIURXBOJPLOI-DENIHFKCSA-N 1 0 450.539 3.674 20 0 JHADRO CNC(=O)c1cc(Oc2ccc(NC(=O)NC[C@H]3CCC[N@H+](CC(C)C)C3)cc2F)ccn1 ZINC001310839737 1069187489 /nfs/dbraw/zinc/18/74/89/1069187489.db2.gz KGBNGLPDCPWFHA-QGZVFWFLSA-N 1 0 457.550 3.862 20 0 JHADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)C[C@H]1C ZINC001310874221 1069202252 /nfs/dbraw/zinc/20/22/52/1069202252.db2.gz FCTFKEDMCNTTQP-CABCVRRESA-N 1 0 457.388 3.761 20 0 JHADRO CCC[C@@H](C)C(=O)NCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001306549123 1069210105 /nfs/dbraw/zinc/21/01/05/1069210105.db2.gz LGZDRUBHHKBHHM-HXUWFJFHSA-N 1 0 465.646 3.757 20 0 JHADRO CC(C)(C)OC(=O)NCC[C@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC001310886601 1069210118 /nfs/dbraw/zinc/21/01/18/1069210118.db2.gz PDXATVRUFADKJU-MSOLQXFVSA-N 1 0 458.525 3.653 20 0 JHADRO CCC[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001306550405 1069212754 /nfs/dbraw/zinc/21/27/54/1069212754.db2.gz SKRYSHCQJCXLSS-LVXARBLLSA-N 1 0 455.647 3.761 20 0 JHADRO CCC[C@@H](C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001306550965 1069214278 /nfs/dbraw/zinc/21/42/78/1069214278.db2.gz WRENSDLQAPZUBI-OAQYLSRUSA-N 1 0 452.647 3.952 20 0 JHADRO CCOC(=O)c1nc2ccccn2c1NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC001310903805 1069216979 /nfs/dbraw/zinc/21/69/79/1069216979.db2.gz GNVPEQDQNSNCFL-IBGZPJMESA-N 1 0 453.543 3.724 20 0 JHADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)CC1 ZINC001310915019 1069220822 /nfs/dbraw/zinc/22/08/22/1069220822.db2.gz KXJVHLKQWPPVJZ-FQEVSTJZSA-N 1 0 454.619 3.584 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001306554906 1069221762 /nfs/dbraw/zinc/22/17/62/1069221762.db2.gz DZOBDCWXUQSVFT-MDNUFGMLSA-N 1 0 482.673 3.699 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001306556842 1069225786 /nfs/dbraw/zinc/22/57/86/1069225786.db2.gz AGFACWBSWKPFHV-OPAMFIHVSA-N 1 0 464.452 3.955 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1CC1 ZINC001310935861 1069226891 /nfs/dbraw/zinc/22/68/91/1069226891.db2.gz IJTPVZUAXPQEBA-MSOLQXFVSA-N 1 0 458.525 3.652 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001306565939 1069233462 /nfs/dbraw/zinc/23/34/62/1069233462.db2.gz GFOUKAOFXSHGAA-XOBRGWDASA-N 1 0 454.388 3.538 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001306573462 1069240538 /nfs/dbraw/zinc/24/05/38/1069240538.db2.gz ZZAMRXHOLJVQNM-DENIHFKCSA-N 1 0 465.646 3.937 20 0 JHADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001310989820 1069241753 /nfs/dbraw/zinc/24/17/53/1069241753.db2.gz WZBIBEAZQKEIFA-DENIHFKCSA-N 1 0 459.612 3.627 20 0 JHADRO COc1cccc(Nc2ccc(NC(=O)N3CCN(C4CC[NH+](C(C)C)CC4)CC3)nc2)c1 ZINC001311005522 1069245662 /nfs/dbraw/zinc/24/56/62/1069245662.db2.gz RORUCPJQRMONJZ-UHFFFAOYSA-N 1 0 452.603 3.856 20 0 JHADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001306583921 1069248766 /nfs/dbraw/zinc/24/87/66/1069248766.db2.gz DOYHJNKFKRUCOU-MLCQCVOFSA-N 1 0 474.694 3.915 20 0 JHADRO CC(C)(C)OC(=O)C(C)(C)n1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001311036239 1069252884 /nfs/dbraw/zinc/25/28/84/1069252884.db2.gz OYOZZUBRWJKDLK-RTWAWAEBSA-N 1 0 467.614 3.946 20 0 JHADRO Cc1c(I)cc(Br)cc1NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001311063794 1069262353 /nfs/dbraw/zinc/26/23/53/1069262353.db2.gz FLZYKCIYBODPPC-YGRLFVJLSA-N 1 0 464.145 3.530 20 0 JHADRO C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CCN(C)CC3)cc21 ZINC001311065869 1069263135 /nfs/dbraw/zinc/26/31/35/1069263135.db2.gz SKZLLWNVLXZTGP-DKLXNKCPSA-N 1 0 455.647 3.958 20 0 JHADRO CN(C)Cc1cc(NC(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)ccn1 ZINC001311081927 1069267218 /nfs/dbraw/zinc/26/72/18/1069267218.db2.gz VXZUUUVYCPDWMA-UHFFFAOYSA-N 1 0 457.022 3.615 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC001311111635 1069276162 /nfs/dbraw/zinc/27/61/62/1069276162.db2.gz HUZTXPGPYSAXHX-HUUCEWRRSA-N 1 0 459.900 3.751 20 0 JHADRO COc1cccc(OC(F)(F)F)c1NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001311116119 1069277235 /nfs/dbraw/zinc/27/72/35/1069277235.db2.gz HRVSZDPXCJKFSY-UHFFFAOYSA-N 1 0 452.477 3.533 20 0 JHADRO COc1cccc(OC(F)(F)F)c1NC(=O)N[C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC001311119615 1069278215 /nfs/dbraw/zinc/27/82/15/1069278215.db2.gz SFSQXKLGFAXOGR-OAQYLSRUSA-N 1 0 453.461 3.742 20 0 JHADRO CCCc1nc(C)c(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@H](O)c3ccccc3)CC2)o1 ZINC001306610565 1069286850 /nfs/dbraw/zinc/28/68/50/1069286850.db2.gz YVIRGCWPWPBNBP-NRFANRHFSA-N 1 0 452.603 3.554 20 0 JHADRO COc1cc([C@H](C)NC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc(OC)c1OC ZINC001311163783 1069287330 /nfs/dbraw/zinc/28/73/30/1069287330.db2.gz QBXIQXXGDORXMU-LAUBAEHRSA-N 1 0 454.571 3.880 20 0 JHADRO CCC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2OCC[C@H]2C)CC[N@@H+]1CCOC ZINC001306615280 1069295342 /nfs/dbraw/zinc/29/53/42/1069295342.db2.gz WYMNADSJOJBMEY-FGCOXFRFSA-N 1 0 498.672 3.509 20 0 JHADRO CCC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C(C)(C)O)c2)CC[N@@H+]1CCOC ZINC001306616441 1069297756 /nfs/dbraw/zinc/29/77/56/1069297756.db2.gz HGATXLYBXQGYKT-QFIPXVFZSA-N 1 0 457.663 3.788 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CCCCCC2)CC[N@@H+]1CCOC ZINC001306618537 1069302299 /nfs/dbraw/zinc/30/22/99/1069302299.db2.gz UNDZPTHKOKPETE-QHCPKHFHSA-N 1 0 485.673 3.976 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001306618962 1069303056 /nfs/dbraw/zinc/30/30/56/1069303056.db2.gz WICCJOCPAGXEFK-FGZHOGPDSA-N 1 0 462.038 3.841 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(CC)cc3)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001306619994 1069305290 /nfs/dbraw/zinc/30/52/90/1069305290.db2.gz MRMMBXNPQJPRKK-RUZDIDTESA-N 1 0 468.690 3.786 20 0 JHADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2)[NH+](C)C ZINC001311244464 1069306277 /nfs/dbraw/zinc/30/62/77/1069306277.db2.gz ZFAWQBCSDXFPKD-DYESRHJHSA-N 1 0 456.591 3.755 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(C)c(OC)c2)CC[N@@H+]1CCOC ZINC001306621140 1069309223 /nfs/dbraw/zinc/30/92/23/1069309223.db2.gz MYQUKJUJOKRSHG-JOCHJYFZSA-N 1 0 466.630 3.586 20 0 JHADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2cc(F)ccc2N2CCC(C)CC2)CC1 ZINC001311257665 1069309895 /nfs/dbraw/zinc/30/98/95/1069309895.db2.gz KEVBCQVPPHSUFE-UHFFFAOYSA-N 1 0 450.599 3.653 20 0 JHADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)cnc1Cl ZINC001164389071 718816043 /nfs/dbraw/zinc/81/60/43/718816043.db2.gz SXFSFGYWELRALE-AWEZNQCLSA-N 1 0 461.884 3.584 20 0 JHADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164434849 718970844 /nfs/dbraw/zinc/97/08/44/718970844.db2.gz WGDBJRBPOBPZLK-RBUKOAKNSA-N 1 0 490.860 3.863 20 0 JHADRO O=S(=O)(Nc1nc2ccccc2nc1Cl)c1cccc(C(F)(F)N2CCC[C@H]3[NH2+]C[C@H]32)c1 ZINC001164447619 719000816 /nfs/dbraw/zinc/00/08/16/719000816.db2.gz CUYIMMBPSZJXHG-QZTJIDSGSA-N 1 0 479.940 3.570 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)C2 ZINC001164619314 719010649 /nfs/dbraw/zinc/01/06/49/719010649.db2.gz VQGVUHRRIDVYQP-FDDCHVKYSA-N 1 0 494.970 3.986 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cccc3c(Cl)ncnc31)C2 ZINC001164617216 719010742 /nfs/dbraw/zinc/01/07/42/719010742.db2.gz NDQXPITUDBAAFS-VGOFRKELSA-N 1 0 464.944 3.977 20 0 JHADRO c1ccc([C@H]2C[NH2+]C[C@]23CCN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCCC5)C3)cc1 ZINC001164618341 719047553 /nfs/dbraw/zinc/04/75/53/719047553.db2.gz ARHOFTQPLONXBY-DFHRPNOPSA-N 1 0 489.689 3.986 20 0 JHADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164625373 719056473 /nfs/dbraw/zinc/05/64/73/719056473.db2.gz PJMYLCKKZVNORT-AEFFLSMTSA-N 1 0 450.917 3.952 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(C[C@@H](CNc4ccc(C)nn4)CO3)C2)nc1 ZINC001164638247 719266588 /nfs/dbraw/zinc/26/65/88/719266588.db2.gz ODYWTLSVRXFYAT-CAKYRVLISA-N 1 0 480.657 3.841 20 0 JHADRO Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@@H]3O2)n1 ZINC001164649024 719301807 /nfs/dbraw/zinc/30/18/07/719301807.db2.gz GMXWAZJFJXUQQA-JLSDUUJJSA-N 1 0 451.905 3.705 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cnoc3C)[C@@H]3OCCC[C@H]3C2)nc1 ZINC001164655302 719320932 /nfs/dbraw/zinc/32/09/32/719320932.db2.gz VXQUODJMQONMRD-LVVCFHABSA-N 1 0 467.614 3.729 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2ccnc(N(C)C)n2)C3)nc1 ZINC001164664194 719357504 /nfs/dbraw/zinc/35/75/04/719357504.db2.gz LVABJFUPBPNBOZ-UFHPHHKVSA-N 1 0 493.700 3.998 20 0 JHADRO CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)[nH+]cc21 ZINC001164673366 719519382 /nfs/dbraw/zinc/51/93/82/719519382.db2.gz QFGCXNLFKGIUTL-UHFFFAOYSA-N 1 0 452.530 3.750 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4[nH]cc(F)c43)CC2)c2ccccc21 ZINC001164681900 719656104 /nfs/dbraw/zinc/65/61/04/719656104.db2.gz SGUNCIAQNUZXBA-INIZCTEOSA-N 1 0 485.007 3.844 20 0 JHADRO CCOC(=O)c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C ZINC001164681660 719656482 /nfs/dbraw/zinc/65/64/82/719656482.db2.gz PQNDLNCPGKHUFU-NRFANRHFSA-N 1 0 478.637 3.660 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3c[nH]c4ncnc(Cl)c34)CC2)c2ccccc21 ZINC001164683982 719659434 /nfs/dbraw/zinc/65/94/34/719659434.db2.gz VVZSRWXOCRBYNV-KRWDZBQOSA-N 1 0 467.017 3.656 20 0 JHADRO COc1nc2ccccc2nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680820 719663095 /nfs/dbraw/zinc/66/30/95/719663095.db2.gz JBGKUHYNPOMLSU-HXUWFJFHSA-N 1 0 473.621 3.732 20 0 JHADRO COc1cc(Cl)ncc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680995 719664526 /nfs/dbraw/zinc/66/45/26/719664526.db2.gz KVTNEHNHUOEHOE-SFHVURJKSA-N 1 0 457.018 3.837 20 0 JHADRO COc1cc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681888 719665567 /nfs/dbraw/zinc/66/55/67/719665567.db2.gz OAXWSGQKQMFYIL-GOSISDBHSA-N 1 0 457.018 3.837 20 0 JHADRO COc1ccc2nc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ncc2c1 ZINC001164681964 719669841 /nfs/dbraw/zinc/66/98/41/719669841.db2.gz OQAZCUVVKGAUQX-HXUWFJFHSA-N 1 0 473.621 3.732 20 0 JHADRO COc1ccc(Cl)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684312 719670861 /nfs/dbraw/zinc/67/08/61/719670861.db2.gz SZPFIOODUJYNQU-GOSISDBHSA-N 1 0 457.018 3.837 20 0 JHADRO Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(-c2ccncc2)n1 ZINC001164686836 719676793 /nfs/dbraw/zinc/67/67/93/719676793.db2.gz XJIJWPCHAPSHRR-HSZRJFAPSA-N 1 0 484.648 3.940 20 0 JHADRO CCc1c(Cl)ncnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680441 719678795 /nfs/dbraw/zinc/67/87/95/719678795.db2.gz FBKAXFBXJXUWST-GOSISDBHSA-N 1 0 456.034 3.786 20 0 JHADRO Fc1cccnc1N(c1nc(Cl)nc2c1CN(Cc1ccccc1)C2)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164690797 719761033 /nfs/dbraw/zinc/76/10/33/719761033.db2.gz ILVHZGIIYREZBA-AVRWGWEMSA-N 1 0 480.975 3.839 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)nc1 ZINC001164691582 719779517 /nfs/dbraw/zinc/77/95/17/719779517.db2.gz OQZOGORUZCFOCX-JOCHJYFZSA-N 1 0 484.666 3.928 20 0 JHADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164699283 719895934 /nfs/dbraw/zinc/89/59/34/719895934.db2.gz YUAQMFLRLMCKIM-UHFFFAOYSA-N 1 0 479.650 3.949 20 0 JHADRO CN(C)c1cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(Cl)n1 ZINC001164706836 719902512 /nfs/dbraw/zinc/90/25/12/719902512.db2.gz KZUNPIMAXKGUMZ-UHFFFAOYSA-N 1 0 457.978 3.674 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164810993 720093974 /nfs/dbraw/zinc/09/39/74/720093974.db2.gz MRFJTFHXFPNWIR-HFZDXXHNSA-N 1 0 468.045 3.831 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164809172 720102557 /nfs/dbraw/zinc/10/25/57/720102557.db2.gz HLCJNQRFSMDYPG-UUOWRZLLSA-N 1 0 456.612 3.567 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001164719024 720109491 /nfs/dbraw/zinc/10/94/91/720109491.db2.gz UVPDHESVLAAWHU-FQEVSTJZSA-N 1 0 468.602 3.726 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)NC(C)(C)C)cn1)CC2 ZINC001164716986 720119098 /nfs/dbraw/zinc/11/90/98/720119098.db2.gz MVUGSTNDKYPTBK-JOCHJYFZSA-N 1 0 451.615 3.512 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164711172 720147705 /nfs/dbraw/zinc/14/77/05/720147705.db2.gz FSENEPMOHKJEOM-WZONZLPQSA-N 1 0 499.965 3.838 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(cccc3C(=O)OC)n1)CC2 ZINC001164713539 720150695 /nfs/dbraw/zinc/15/06/95/720150695.db2.gz ROAHSZMXUKYVQA-NRFANRHFSA-N 1 0 460.578 3.924 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)c(C(=O)OC)cc1Cl)CC2 ZINC001164713068 720154868 /nfs/dbraw/zinc/15/48/68/720154868.db2.gz PYNZTVYUGOSVMP-LJQANCHMSA-N 1 0 458.990 3.733 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c(Cl)n1 ZINC001164820238 720156547 /nfs/dbraw/zinc/15/65/47/720156547.db2.gz ZUFQENFISKXXRD-IIBYNOLFSA-N 1 0 457.949 3.641 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001164820229 720177280 /nfs/dbraw/zinc/17/72/80/720177280.db2.gz ZUBAZLCGZLSAKG-VGSWGCGISA-N 1 0 463.960 3.922 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CCC2 ZINC001164813444 720224427 /nfs/dbraw/zinc/22/44/27/720224427.db2.gz MGCXOUZBWIOMOW-UHFFFAOYSA-N 1 0 450.921 3.568 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c(-c4ccccc4)nsc31)CCC2 ZINC001164813426 720238602 /nfs/dbraw/zinc/23/86/02/720238602.db2.gz OBZQDWOXQCACKA-UHFFFAOYSA-N 1 0 461.595 3.561 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(SCc3ccccc3)ncn1)CCC2 ZINC001164813974 720242100 /nfs/dbraw/zinc/24/21/00/720242100.db2.gz SNVCBRTUDMZSCR-UHFFFAOYSA-N 1 0 450.612 3.576 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3ncnc(Cl)c3c2)CC1 ZINC001164828300 720311286 /nfs/dbraw/zinc/31/12/86/720311286.db2.gz ZXNJKENLJUCVKF-PMACEKPBSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3nc(Cl)cnc3c2)CC1 ZINC001164821280 720314234 /nfs/dbraw/zinc/31/42/34/720314234.db2.gz JSOGQFYSXZCDOM-PMACEKPBSA-N 1 0 463.960 3.740 20 0 JHADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCCC3 ZINC001164821463 720336994 /nfs/dbraw/zinc/33/69/94/720336994.db2.gz AKUQZMNAAKCBGZ-VQTJNVASSA-N 1 0 453.656 3.790 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CC1 ZINC001164831707 720339556 /nfs/dbraw/zinc/33/95/56/720339556.db2.gz ZSDNMRZMSNWAIO-PKTZIBPZSA-N 1 0 482.028 3.899 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cccc3c(Cl)ncnc32)CC1 ZINC001164829973 720341728 /nfs/dbraw/zinc/34/17/28/720341728.db2.gz URGZLTRIGKMNQB-MOPGFXCFSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncccc2OCc2ccc(F)cc2)CC1 ZINC001164822838 720343892 /nfs/dbraw/zinc/34/38/92/720343892.db2.gz FULHQCLAQSDIEP-DHIUTWEWSA-N 1 0 452.574 3.711 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2ccccc2F)CC1 ZINC001164824286 720352620 /nfs/dbraw/zinc/35/26/20/720352620.db2.gz HVFGVWILSJYLNS-OALUTQOASA-N 1 0 473.980 3.973 20 0 JHADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826662 720353992 /nfs/dbraw/zinc/35/39/92/720353992.db2.gz KRIHFIAYCRMVIE-MOPGFXCFSA-N 1 0 486.016 3.842 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)C2(c3ccc(Cl)nc3)CC2)CC1 ZINC001164830765 720354794 /nfs/dbraw/zinc/35/47/94/720354794.db2.gz WYAGLISJOAJJTJ-MOPGFXCFSA-N 1 0 452.977 3.767 20 0 JHADRO 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O=C(NC[C@H]1CCC[C@]2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)O1)c1ccccc1 ZINC001164876114 721258160 /nfs/dbraw/zinc/25/81/60/721258160.db2.gz NVACRIWXYADJET-YIXXDRMTSA-N 1 0 464.610 3.504 20 0 JHADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC2)C1 ZINC001164869892 721267479 /nfs/dbraw/zinc/26/74/79/721267479.db2.gz SKKISORTBBGAAH-UHFFFAOYSA-N 1 0 492.998 3.954 20 0 JHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164768012 721277529 /nfs/dbraw/zinc/27/75/29/721277529.db2.gz JBNVCNFJBAORPB-KRWDZBQOSA-N 1 0 486.954 3.964 20 0 JHADRO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3ncn4C(C)C)C2)C1 ZINC001164784064 721360863 /nfs/dbraw/zinc/36/08/63/721360863.db2.gz QGAVQILDWVOTGM-QHCPKHFHSA-N 1 0 474.009 3.784 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C3)O2)CC1 ZINC001164894098 721393695 /nfs/dbraw/zinc/39/36/95/721393695.db2.gz XQYQUVKVUZHWSO-AVRDEDQJSA-N 1 0 465.976 3.594 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc5ccc(Cl)cc5nc4Cl)C3)O2)CC1 ZINC001164892403 721401906 /nfs/dbraw/zinc/40/19/06/721401906.db2.gz YACRICZWUGRBSD-VGOFRKELSA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C3)O2)CC1 ZINC001164885084 721405970 /nfs/dbraw/zinc/40/59/70/721405970.db2.gz FLKMSTSOTUXTJM-AVRDEDQJSA-N 1 0 465.976 3.594 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5c(Cl)ccnc54)C3)O2)CC1 ZINC001164888958 721408483 /nfs/dbraw/zinc/40/84/83/721408483.db2.gz PVWNNQGOTKCIGR-AOMKIAJQSA-N 1 0 450.414 3.702 20 0 JHADRO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@]5(C4)CCC[C@H](C[NH+]4CCN(C)CC4)O5)c32)C1 ZINC001164886146 721409489 /nfs/dbraw/zinc/40/94/89/721409489.db2.gz HVHQOUIBLKBXDM-RRQZXNHTSA-N 1 0 455.672 3.582 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc5ccccc5nc4Cl)C3)O2)CC1 ZINC001164883569 721421036 /nfs/dbraw/zinc/42/10/36/721421036.db2.gz AWKTVDIRRCQKPG-VGOFRKELSA-N 1 0 465.976 3.594 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5cc(Cl)c(Cl)cc54)C3)O2)CC1 ZINC001164889517 721425570 /nfs/dbraw/zinc/42/55/70/721425570.db2.gz BFXMYSFUGIAAQT-KSFYIVLOSA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nnc(Cc5ccccc5)c5ccccc54)C3)O2)CC1 ZINC001164890785 721431938 /nfs/dbraw/zinc/43/19/38/721431938.db2.gz FSKQJVJHSLXDFO-GIGWZHCTSA-N 1 0 471.649 3.986 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C3)O2)CC1 ZINC001164889617 721435884 /nfs/dbraw/zinc/43/58/84/721435884.db2.gz CHKGAMARDDOMTR-ZEQKJWHPSA-N 1 0 484.044 3.753 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C3)O2)CC1 ZINC001164899859 721439533 /nfs/dbraw/zinc/43/95/33/721439533.db2.gz ZKPNEBOAGWFTCO-FDDCHVKYSA-N 1 0 493.002 3.502 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncccc4OCc4ccc(F)cc4)C3)O2)CC1 ZINC001164898339 721440794 /nfs/dbraw/zinc/44/07/94/721440794.db2.gz VSBWGKNUCRSCCG-BVAGGSTKSA-N 1 0 454.590 3.565 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN([C@@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C3)O2)CC1 ZINC001164895396 721441374 /nfs/dbraw/zinc/44/13/74/721441374.db2.gz OJCCKFRLHBNXMI-FTBPSBKWSA-N 1 0 490.023 3.690 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164896860 721444061 /nfs/dbraw/zinc/44/40/61/721444061.db2.gz SGUNXTXSNGZUGK-LITSAYRRSA-N 1 0 490.696 3.899 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccncc5)nc5sccc54)C3)O2)CC1 ZINC001164897582 721444756 /nfs/dbraw/zinc/44/47/56/721444756.db2.gz UFEJGGXPJGLRFH-NLFFAJNJSA-N 1 0 464.639 3.519 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164887992 721447176 /nfs/dbraw/zinc/44/71/76/721447176.db2.gz LLJWRBGVSIIJTE-DNVCBOLYSA-N 1 0 465.372 3.579 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)CC2 ZINC001164789410 721450019 /nfs/dbraw/zinc/45/00/19/721450019.db2.gz VOGUIBBWQSYBRH-INIZCTEOSA-N 1 0 468.429 3.999 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C3)O2)CC1 ZINC001164890871 721450567 /nfs/dbraw/zinc/45/05/67/721450567.db2.gz SXXKBESGILBQRY-DNVCBOLYSA-N 1 0 465.372 3.579 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)C3)O2)CC1 ZINC001164890316 721451528 /nfs/dbraw/zinc/45/15/28/721451528.db2.gz QSFTYQZOPXVWDA-TZIWHRDSSA-N 1 0 454.993 3.620 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)O2)CC1 ZINC001164892039 721451570 /nfs/dbraw/zinc/45/15/70/721451570.db2.gz VXSHAGGGTUIREG-TZIWHRDSSA-N 1 0 454.993 3.620 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4c(Cl)nnc(Cl)c4N4CCCCC4)C3)O2)CC1 ZINC001164889886 721453908 /nfs/dbraw/zinc/45/39/08/721453908.db2.gz PRDAUUZFEJANTL-FDDCHVKYSA-N 1 0 483.488 3.539 20 0 JHADRO CCOC(=O)c1nc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ccc1Cl ZINC001164783306 721464185 /nfs/dbraw/zinc/46/41/85/721464185.db2.gz DFVFEBGWKQHCKX-IBGZPJMESA-N 1 0 466.022 3.646 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164790104 721467035 /nfs/dbraw/zinc/46/70/35/721467035.db2.gz QXDAMGIDTDADFK-LJQANCHMSA-N 1 0 456.656 3.914 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164790646 721473799 /nfs/dbraw/zinc/47/37/99/721473799.db2.gz TVTRMRWRPHFDNJ-NRFANRHFSA-N 1 0 453.631 3.959 20 0 JHADRO Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164792158 721489291 /nfs/dbraw/zinc/48/92/91/721489291.db2.gz HOLGIAOGDALJSJ-HTAPYJJXSA-N 1 0 480.918 3.723 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4cccc(Cl)c4)nc4c2CCCC4)CC3)CC1 ZINC001164795059 721520733 /nfs/dbraw/zinc/52/07/33/721520733.db2.gz JAVRJPVQVRUMOS-UHFFFAOYSA-N 1 0 478.044 3.640 20 0 JHADRO COc1cc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC ZINC001164905187 721526014 /nfs/dbraw/zinc/52/60/14/721526014.db2.gz GIJPHSQHMPHFJT-WBVHZDCISA-N 1 0 458.921 3.781 20 0 JHADRO CC(C)(C)OC(=O)Nc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c2[nH]cnc21 ZINC001164905378 721550952 /nfs/dbraw/zinc/55/09/52/721550952.db2.gz HBQNEHCLWYHRRJ-FUHWJXTLSA-N 1 0 468.533 3.786 20 0 JHADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCc2ccccc21 ZINC001164909277 721552784 /nfs/dbraw/zinc/55/27/84/721552784.db2.gz UDKUJJFFYPEFAF-GMAHTHKFSA-N 1 0 458.537 3.766 20 0 JHADRO O=C(c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164906492 721556250 /nfs/dbraw/zinc/55/62/50/721556250.db2.gz JRHRZDVSJDNWEV-PZJWPPBQSA-N 1 0 458.965 3.842 20 0 JHADRO COc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)c(OC)c1OC ZINC001164906503 721561800 /nfs/dbraw/zinc/56/18/00/721561800.db2.gz JRIUGJYJYZWHOI-ICSRJNTNSA-N 1 0 480.540 3.650 20 0 JHADRO COc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164906505 721562222 /nfs/dbraw/zinc/56/22/22/721562222.db2.gz JRIUGJYJYZWHOI-QUCCMNQESA-N 1 0 480.540 3.650 20 0 JHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(NC(=O)OC(C)(C)C)c3nc[nH]c32)[C@H]2CCCO[C@@H]12 ZINC001164806047 721574753 /nfs/dbraw/zinc/57/47/53/721574753.db2.gz PFHLMHDCEOQNDL-NNMXDRDESA-N 1 0 479.585 3.568 20 0 JHADRO O=C(c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1)N1CCCCC1 ZINC001164906111 721585718 /nfs/dbraw/zinc/58/57/18/721585718.db2.gz LKEXJYBWKOTEIQ-XMMPIXPASA-N 1 0 455.553 3.840 20 0 JHADRO c1cncc(OC[C@@H]2COCCC23CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)c1 ZINC001164803923 721603933 /nfs/dbraw/zinc/60/39/33/721603933.db2.gz WYIYUEKVRAGVHS-QFIPXVFZSA-N 1 0 452.599 3.653 20 0 JHADRO FC(F)(COc1cncc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164909665 721727859 /nfs/dbraw/zinc/72/78/59/721727859.db2.gz CQTGMYOFPVQQRA-SFHVURJKSA-N 1 0 459.875 3.730 20 0 JHADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164911620 721736954 /nfs/dbraw/zinc/73/69/54/721736954.db2.gz JRKHSSNXROJSDX-VFNWGFHPSA-N 1 0 465.932 3.539 20 0 JHADRO Cc1sc2nc(-c3cccnc3)nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1C ZINC001165010779 721745354 /nfs/dbraw/zinc/74/53/54/721745354.db2.gz PEAGUFICKPHSJD-UHFFFAOYSA-N 1 0 464.639 3.893 20 0 JHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)CC1 ZINC001165013055 721748123 /nfs/dbraw/zinc/74/81/23/721748123.db2.gz SMCOEACFOVZYSG-UHFFFAOYSA-N 1 0 491.665 3.550 20 0 JHADRO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165027276 721801249 /nfs/dbraw/zinc/80/12/49/721801249.db2.gz VIMYZIGJRIOGBP-IPELMVKDSA-N 1 0 479.959 3.984 20 0 JHADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027617 721819355 /nfs/dbraw/zinc/81/93/55/721819355.db2.gz VIUXUMXRIDQEEG-JXHRLWIKSA-N 1 0 479.625 3.985 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C[C@@H]21 ZINC001165026409 721820492 /nfs/dbraw/zinc/82/04/92/721820492.db2.gz PUVIOSUBPBPLNQ-VEXUSMLFSA-N 1 0 493.633 3.804 20 0 JHADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165028359 721822056 /nfs/dbraw/zinc/82/20/56/721822056.db2.gz VOKAKAXNNAWPNI-QGTPRVQTSA-N 1 0 454.962 3.530 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1C ZINC001165026717 721822301 /nfs/dbraw/zinc/82/23/01/721822301.db2.gz PTMVXSDSAQDISI-SNRMKQJTSA-N 1 0 468.989 3.540 20 0 JHADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165030568 721825230 /nfs/dbraw/zinc/82/52/30/721825230.db2.gz ZZNRBEAFJDGINP-TZYAJKAJSA-N 1 0 471.671 3.680 20 0 JHADRO Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+]ccc5c4ccn5Cc4ccccc4)CCO3)C2)cs1 ZINC001164920169 721829068 /nfs/dbraw/zinc/82/90/68/721829068.db2.gz BQHINORKVXUULY-MHZLTWQESA-N 1 0 489.645 3.957 20 0 JHADRO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164923391 721837554 /nfs/dbraw/zinc/83/75/54/721837554.db2.gz KDDXINNSHINXSA-WMZHIEFXSA-N 1 0 490.986 3.711 20 0 JHADRO COC(=O)c1ccc2nc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)ncc2c1 ZINC001165021581 721839007 /nfs/dbraw/zinc/83/90/07/721839007.db2.gz OYPPNVGVXHTEQY-UHFFFAOYSA-N 1 0 450.539 3.534 20 0 JHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(-c3ccccc3)nc(N(C)C)n2)CC1 ZINC001165021249 721841985 /nfs/dbraw/zinc/84/19/85/721841985.db2.gz JHODXLFIMLHNOB-UHFFFAOYSA-N 1 0 462.598 3.723 20 0 JHADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164925982 721871830 /nfs/dbraw/zinc/87/18/30/721871830.db2.gz PMGIDMAZVXXRGF-WOJBJXKFSA-N 1 0 460.981 3.932 20 0 JHADRO CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164940520 721926125 /nfs/dbraw/zinc/92/61/25/721926125.db2.gz SLXQZDYVVFRVBN-UHFFFAOYSA-N 1 0 460.578 3.986 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)CC3)C2)cc1 ZINC001164939085 721931166 /nfs/dbraw/zinc/93/11/66/721931166.db2.gz INZCMXVSKKWJRO-UHFFFAOYSA-N 1 0 498.675 3.983 20 0 JHADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N(C)CC3CC[NH+](C)CC3)c2c1C ZINC001165043365 721937038 /nfs/dbraw/zinc/93/70/38/721937038.db2.gz TXXIWHDRWAAFMD-UHFFFAOYSA-N 1 0 459.660 3.940 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc1 ZINC001164948840 721981091 /nfs/dbraw/zinc/98/10/91/721981091.db2.gz MCIIZBMUUCATRF-VWLOTQADSA-N 1 0 461.654 3.990 20 0 JHADRO O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164956104 722033158 /nfs/dbraw/zinc/03/31/58/722033158.db2.gz BWKWFNRHOIAAGD-YWEHKCAJSA-N 1 0 453.590 3.568 20 0 JHADRO Clc1nc2c(c(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)n1)CN(Cc1ccccc1)C2 ZINC001164958759 722050870 /nfs/dbraw/zinc/05/08/70/722050870.db2.gz GHGSGWKSOATGDZ-BPUDTRNYSA-N 1 0 477.012 3.946 20 0 JHADRO COc1ccc(OC)c(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)c1 ZINC001164961502 722060682 /nfs/dbraw/zinc/06/06/82/722060682.db2.gz KYVAOEMMEFBHTI-UHFFFAOYSA-N 1 0 475.593 3.675 20 0 JHADRO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164963752 722066076 /nfs/dbraw/zinc/06/60/76/722066076.db2.gz CQMLYYPWBPOZBK-ZWKOTPCHSA-N 1 0 465.957 3.607 20 0 JHADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980768 722102603 /nfs/dbraw/zinc/10/26/03/722102603.db2.gz KJAGZRHGDCPZGY-FXAWDEMLSA-N 1 0 459.928 3.950 20 0 JHADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981765 722110860 /nfs/dbraw/zinc/11/08/60/722110860.db2.gz VDCMWIVYCSKZLB-UWJYYQICSA-N 1 0 459.928 3.950 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(Cl)c2c1 ZINC001164978859 722145871 /nfs/dbraw/zinc/14/58/71/722145871.db2.gz JZQTXXQPIDDRBM-LAUBAEHRSA-N 1 0 489.954 3.959 20 0 JHADRO COc1ccc(Cc2c(C)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2C)cc1 ZINC001164973883 722153585 /nfs/dbraw/zinc/15/35/85/722153585.db2.gz NLJVXSCPFPFPQF-IGKIAQTJSA-N 1 0 473.621 3.815 20 0 JHADRO O=S(=O)(c1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1)N1CCCCC1 ZINC001164995932 722207738 /nfs/dbraw/zinc/20/77/38/722207738.db2.gz QAKSGAMXSOAZPW-XMMPIXPASA-N 1 0 458.603 3.640 20 0 JHADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)C1 ZINC001164996654 722208094 /nfs/dbraw/zinc/20/80/94/722208094.db2.gz UTUJVYXTCXAMJP-RLWLMLJZSA-N 1 0 467.589 3.640 20 0 JHADRO C[C@](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)(c1ccc(F)cc1)C(F)(F)F ZINC001311275534 1069313492 /nfs/dbraw/zinc/31/34/92/1069313492.db2.gz WVQIYONMMQAVHK-ZNLUXHQJSA-N 1 0 453.480 3.785 20 0 JHADRO C[NH+]1CCN(C[C@@H](NC(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)c2ccccc2)CC1 ZINC001311275793 1069314113 /nfs/dbraw/zinc/31/41/13/1069314113.db2.gz ZUQMKZXOKBHGLV-IFMALSPDSA-N 1 0 452.496 3.891 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CCCCC2)CC[N@@H+]1CCOC ZINC001306624289 1069317459 /nfs/dbraw/zinc/31/74/59/1069317459.db2.gz XTDLFWYRNBVCSQ-QFIPXVFZSA-N 1 0 471.646 3.586 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2nc(C)c(C)s2)CC[N@@H+]1CCOC ZINC001306625659 1069320144 /nfs/dbraw/zinc/32/01/44/1069320144.db2.gz SFCMPTAXRGXMSA-UXHICEINSA-N 1 0 462.664 3.578 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)c2c(C)noc2C)CC[N@@H+]1CCOC ZINC001306626453 1069321474 /nfs/dbraw/zinc/32/14/74/1069321474.db2.gz YMTVSQZNIMLGKO-STZQEDGTSA-N 1 0 474.650 3.518 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C)nc2)CC[N@@H+]1CCOC ZINC001306628268 1069325785 /nfs/dbraw/zinc/32/57/85/1069325785.db2.gz XWCZLIYOKNBINY-XMMPIXPASA-N 1 0 466.605 3.697 20 0 JHADRO C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001311340341 1069329551 /nfs/dbraw/zinc/32/95/51/1069329551.db2.gz GLQIFCHJXGQJDZ-FQEVSTJZSA-N 1 0 457.640 3.925 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001306630676 1069330241 /nfs/dbraw/zinc/33/02/41/1069330241.db2.gz PTTTVRLCWNPGEY-NHCUHLMSSA-N 1 0 457.648 3.509 20 0 JHADRO C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)Oc1ccc(Br)cc1 ZINC001311343079 1069330898 /nfs/dbraw/zinc/33/08/98/1069330898.db2.gz GVDANCSELNYXRQ-KRWDZBQOSA-N 1 0 454.409 3.551 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC(F)(F)F)CC[N@@H+]1CCOC ZINC001306631313 1069331464 /nfs/dbraw/zinc/33/14/64/1069331464.db2.gz GHYDLOMABRFAPE-LJQANCHMSA-N 1 0 469.552 3.973 20 0 JHADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001311344093 1069332053 /nfs/dbraw/zinc/33/20/53/1069332053.db2.gz OEEAGFDXSHSVIV-MRXNPFEDSA-N 1 0 456.400 3.854 20 0 JHADRO COc1ccc([C@H](CNC(=O)NCCc2csc(-c3ccccc3)n2)[NH+](C)C)cc1OC ZINC001311348137 1069334117 /nfs/dbraw/zinc/33/41/17/1069334117.db2.gz HJARGTDIHOYONB-FQEVSTJZSA-N 1 0 454.596 3.972 20 0 JHADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC001311351418 1069337622 /nfs/dbraw/zinc/33/76/22/1069337622.db2.gz IUWJRWVXICJRAB-UHFFFAOYSA-N 1 0 450.627 3.809 20 0 JHADRO CC[NH+](CC)CCNC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001311365137 1069346607 /nfs/dbraw/zinc/34/66/07/1069346607.db2.gz MDBAFKHZTNEMBZ-KRWDZBQOSA-N 1 0 450.381 3.611 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2cc(Cl)ccc2OC)CC[N@@H+]1CCOC ZINC001306635760 1069343733 /nfs/dbraw/zinc/34/37/33/1069343733.db2.gz SDXFWKDLXYDSHQ-IFMALSPDSA-N 1 0 478.037 3.777 20 0 JHADRO CCCCCN(c1nnc(-c2noc3c2COCC3)n1C[C@@]1([NH+](C)C)CCSC1)C(C)C ZINC001306643064 1069354124 /nfs/dbraw/zinc/35/41/24/1069354124.db2.gz LYNMEYDHFGRIJM-QHCPKHFHSA-N 1 0 462.664 3.848 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N(C[C@@H](C)c3ccccc3)[C@@H](C)CO)CC2)c1 ZINC001311380940 1069354720 /nfs/dbraw/zinc/35/47/20/1069354720.db2.gz NXMNMHFHCCCHRY-RPWUZVMVSA-N 1 0 452.643 3.703 20 0 JHADRO CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001306645272 1069356061 /nfs/dbraw/zinc/35/60/61/1069356061.db2.gz WOIILQLVIDSPNX-UHFFFAOYSA-N 1 0 452.603 3.872 20 0 JHADRO CC1(C)C[C@@H](O)CCN(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001311378128 1069351651 /nfs/dbraw/zinc/35/16/51/1069351651.db2.gz HBMBTXPCQBPOIP-VWLOTQADSA-N 1 0 450.627 3.701 20 0 JHADRO CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306641474 1069352245 /nfs/dbraw/zinc/35/22/45/1069352245.db2.gz LVOCXYICCZWZNG-UHFFFAOYSA-N 1 0 465.440 3.537 20 0 JHADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC001311395110 1069360475 /nfs/dbraw/zinc/36/04/75/1069360475.db2.gz IMMZQGGXXISPSD-DYESRHJHSA-N 1 0 454.453 3.718 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1)C1CCCCC1 ZINC001311395503 1069360612 /nfs/dbraw/zinc/36/06/12/1069360612.db2.gz KXEVRIRKQAZTEW-HSZRJFAPSA-N 1 0 452.599 3.525 20 0 JHADRO CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001306645992 1069357793 /nfs/dbraw/zinc/35/77/93/1069357793.db2.gz MMBVZMPGGFXTJZ-HSZRJFAPSA-N 1 0 454.663 3.675 20 0 JHADRO Cc1cccc([C@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)N2CCOCC2)c1 ZINC001311390191 1069358248 /nfs/dbraw/zinc/35/82/48/1069358248.db2.gz CPBBGJDBEBWIKH-FTJBHMTQSA-N 1 0 450.627 3.722 20 0 JHADRO CC[C@@H](CNC(=O)N[C@H](c1nccn1C)c1ccc(F)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC001311393977 1069359939 /nfs/dbraw/zinc/35/99/39/1069359939.db2.gz DZUSCLUAPQIPJH-REWPJTCUSA-N 1 0 453.537 3.924 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)C1 ZINC001311402585 1069362234 /nfs/dbraw/zinc/36/22/34/1069362234.db2.gz BKHWSOUDSLBHLI-JBYIUTFZSA-N 1 0 452.437 3.810 20 0 JHADRO CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001306653377 1069364695 /nfs/dbraw/zinc/36/46/95/1069364695.db2.gz YEVRETHFEZHQTC-UHFFFAOYSA-N 1 0 459.708 3.819 20 0 JHADRO CC(C)[NH+](CCNC(=O)N1CCC([C@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1)C(C)C ZINC001311420672 1069368485 /nfs/dbraw/zinc/36/84/85/1069368485.db2.gz LQDKZLKACRPZHF-NHCUHLMSSA-N 1 0 454.656 3.599 20 0 JHADRO CC(C)[NH+](CCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1)C(C)C ZINC001311420674 1069368553 /nfs/dbraw/zinc/36/85/53/1069368553.db2.gz LQDKZLKACRPZHF-SFTDATJTSA-N 1 0 454.656 3.599 20 0 JHADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)C1 ZINC001311430205 1069376419 /nfs/dbraw/zinc/37/64/19/1069376419.db2.gz ITGSJTOUGRJYLC-FCEUIQTBSA-N 1 0 466.667 3.602 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001306662170 1069383047 /nfs/dbraw/zinc/38/30/47/1069383047.db2.gz ZVGARCOXJUEHQD-UHFFFAOYSA-N 1 0 469.678 3.538 20 0 JHADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001311450001 1069384039 /nfs/dbraw/zinc/38/40/39/1069384039.db2.gz UVQZZEQUFOGBLD-ROUUACIJSA-N 1 0 454.384 3.606 20 0 JHADRO CCCOc1ccc(Oc2ncccc2CNC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)cc1 ZINC001311452923 1069385842 /nfs/dbraw/zinc/38/58/42/1069385842.db2.gz RRZFJBAZVMBSMQ-BGYRXZFFSA-N 1 0 456.587 3.913 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306664263 1069387866 /nfs/dbraw/zinc/38/78/66/1069387866.db2.gz GSMHEEMMOLVWFL-CQOQZXRMSA-N 1 0 488.721 3.767 20 0 JHADRO CCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001306674887 1069399464 /nfs/dbraw/zinc/39/94/64/1069399464.db2.gz LHLMYVQDYJHHJV-LJQANCHMSA-N 1 0 464.655 3.697 20 0 JHADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)C1 ZINC001306668771 1069396053 /nfs/dbraw/zinc/39/60/53/1069396053.db2.gz NMQZNLHNUPQZTE-IRXDYDNUSA-N 1 0 453.967 3.883 20 0 JHADRO COc1ccc(C(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c2ccc(OC)cc2)cc1 ZINC001311477943 1069396868 /nfs/dbraw/zinc/39/68/68/1069396868.db2.gz IPRIRPGNMAYINV-XMMPIXPASA-N 1 0 453.583 3.736 20 0 JHADRO CCCCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001306677135 1069400940 /nfs/dbraw/zinc/40/09/40/1069400940.db2.gz QORHKCVSKHVPOL-UHFFFAOYSA-N 1 0 468.671 3.875 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001306678566 1069403043 /nfs/dbraw/zinc/40/30/43/1069403043.db2.gz KUSXIIXOHOBZIM-YTTGMZPUSA-N 1 0 460.692 3.836 20 0 JHADRO CCOC(=O)[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C[C@H]1C(F)(F)F ZINC001311493934 1069404138 /nfs/dbraw/zinc/40/41/38/1069404138.db2.gz CUWDOYUNVIHDJM-PWIZWCRZSA-N 1 0 455.521 3.802 20 0 JHADRO C[C@@H](CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)Oc1cccc(Br)c1 ZINC001311495183 1069404927 /nfs/dbraw/zinc/40/49/27/1069404927.db2.gz IQCYVTPKOPJGSQ-INIZCTEOSA-N 1 0 450.377 3.656 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001306680212 1069406481 /nfs/dbraw/zinc/40/64/81/1069406481.db2.gz VINFMJFVHITLJD-UHFFFAOYSA-N 1 0 473.687 3.718 20 0 JHADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCN(CCOc3ccccc3)CC2)C1 ZINC001311499505 1069408377 /nfs/dbraw/zinc/40/83/77/1069408377.db2.gz YHDNTXWVLFTFET-HSZRJFAPSA-N 1 0 450.627 3.825 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H]1CC ZINC001306681551 1069411297 /nfs/dbraw/zinc/41/12/97/1069411297.db2.gz NMYALHNCRANJBX-IBGZPJMESA-N 1 0 461.680 3.657 20 0 JHADRO C[C@@H]1CN(c2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cn2)CCO1 ZINC001311504568 1069412966 /nfs/dbraw/zinc/41/29/66/1069412966.db2.gz UQXKJWJESAFJCA-LGVFNWMJSA-N 1 0 451.615 3.501 20 0 JHADRO CCOc1cccc(CNC(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1 ZINC001311503223 1069412280 /nfs/dbraw/zinc/41/22/80/1069412280.db2.gz GKRQKESQWFPMCY-UHFFFAOYSA-N 1 0 450.505 3.855 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001306680968 1069409021 /nfs/dbraw/zinc/40/90/21/1069409021.db2.gz WRGDZXKVXALABG-AFMDSPMNSA-N 1 0 491.627 3.635 20 0 JHADRO O=C(NCc1ccc(OCC(F)(F)F)nc1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC001311508681 1069414504 /nfs/dbraw/zinc/41/45/04/1069414504.db2.gz FLVJJFKAXVLOST-UHFFFAOYSA-N 1 0 454.415 3.627 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001306682985 1069415293 /nfs/dbraw/zinc/41/52/93/1069415293.db2.gz SHDXMQPWMFNKPY-QHCPKHFHSA-N 1 0 489.462 3.607 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001306683262 1069415892 /nfs/dbraw/zinc/41/58/92/1069415892.db2.gz QIMMOJSGROYXFW-UHFFFAOYSA-N 1 0 495.093 3.663 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001306683253 1069415953 /nfs/dbraw/zinc/41/59/53/1069415953.db2.gz WFCGOHLDSMTIAU-IBGZPJMESA-N 1 0 457.579 3.663 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(F)(F)F)CC1 ZINC001306684469 1069419295 /nfs/dbraw/zinc/41/92/95/1069419295.db2.gz MEUBXARUMFTHOE-UHFFFAOYSA-N 1 0 456.513 3.516 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001306684751 1069419310 /nfs/dbraw/zinc/41/93/10/1069419310.db2.gz RULBABQZAFYFRN-UHFFFAOYSA-N 1 0 479.604 3.740 20 0 JHADRO CCCC[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001306685466 1069421410 /nfs/dbraw/zinc/42/14/10/1069421410.db2.gz FBWWGAPXGDLPNH-UHFFFAOYSA-N 1 0 454.663 3.869 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2oncc2C1 ZINC001306685723 1069421495 /nfs/dbraw/zinc/42/14/95/1069421495.db2.gz JTLNQLAZEUWSQM-LJQANCHMSA-N 1 0 487.649 3.675 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001306689514 1069427326 /nfs/dbraw/zinc/42/73/26/1069427326.db2.gz XRDLDRJAYDEKMR-QHCPKHFHSA-N 1 0 487.599 3.728 20 0 JHADRO CCC(CC)[C@H](CNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1)[NH+]1CCCC1 ZINC001311533940 1069426877 /nfs/dbraw/zinc/42/68/77/1069426877.db2.gz CUYSMVMTOSEOIZ-QHCPKHFHSA-N 1 0 450.071 3.662 20 0 JHADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC001311534659 1069427017 /nfs/dbraw/zinc/42/70/17/1069427017.db2.gz FQQSYUFJUIDJRH-ILBGXUMGSA-N 1 0 451.611 3.782 20 0 JHADRO CC(C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1)[NH+]1CCN(C)CC1 ZINC001311535822 1069428277 /nfs/dbraw/zinc/42/82/77/1069428277.db2.gz KFGKQAMTFPRPRA-DHIUTWEWSA-N 1 0 456.610 3.724 20 0 JHADRO O=C(NCCNC(=O)c1ccc(Cl)cc1)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001311538924 1069430871 /nfs/dbraw/zinc/43/08/71/1069430871.db2.gz UAVUKFXDRLGTMB-FUPPJEDESA-N 1 0 455.002 3.670 20 0 JHADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC001311569521 1069442020 /nfs/dbraw/zinc/44/20/20/1069442020.db2.gz GAZMFLBFWSAESU-PKTZIBPZSA-N 1 0 455.672 3.515 20 0 JHADRO CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001306703189 1069439185 /nfs/dbraw/zinc/43/91/85/1069439185.db2.gz POLWUCQIAVTJFH-MRXNPFEDSA-N 1 0 466.424 3.673 20 0 JHADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC001311576471 1069446431 /nfs/dbraw/zinc/44/64/31/1069446431.db2.gz BJZHOJIDLXWTSH-GOTSBHOMSA-N 1 0 474.646 3.962 20 0 JHADRO CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001306708195 1069442623 /nfs/dbraw/zinc/44/26/23/1069442623.db2.gz GADHQNOIJHVTTF-NRFANRHFSA-N 1 0 476.666 3.841 20 0 JHADRO COc1ccccc1[C@@H]1CCCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001311572283 1069444058 /nfs/dbraw/zinc/44/40/58/1069444058.db2.gz OYWCUKANNJYZMW-XMMPIXPASA-N 1 0 450.627 3.792 20 0 JHADRO O=C(NCCCOC[C@H]1CCCO1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001311589367 1069453043 /nfs/dbraw/zinc/45/30/43/1069453043.db2.gz ASWFOYJXOKGFEJ-DSNGMDLFSA-N 1 0 455.574 3.679 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001311589258 1069453101 /nfs/dbraw/zinc/45/31/01/1069453101.db2.gz IWUVRHPRSJZQAL-UHFFFAOYSA-N 1 0 457.018 3.842 20 0 JHADRO COc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccccc3C[NH+]3CCCCC3)C2)cc1C ZINC001311589321 1069453141 /nfs/dbraw/zinc/45/31/41/1069453141.db2.gz AXFZKHXTFLQZBG-HSZRJFAPSA-N 1 0 450.583 3.982 20 0 JHADRO O=C(NCCCn1cc(Br)cn1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001311589378 1069453553 /nfs/dbraw/zinc/45/35/53/1069453553.db2.gz VIPVLUJHLMDQJV-UHFFFAOYSA-N 1 0 454.800 3.653 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001306721557 1069457887 /nfs/dbraw/zinc/45/78/87/1069457887.db2.gz BMVBOZQBWMZDBZ-CTNGQTDRSA-N 1 0 458.630 3.702 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)OC1CCCC1 ZINC001306721629 1069458356 /nfs/dbraw/zinc/45/83/56/1069458356.db2.gz CRZHLOVVFUGQHK-IBGZPJMESA-N 1 0 455.607 3.890 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC1 ZINC001306721578 1069458406 /nfs/dbraw/zinc/45/84/06/1069458406.db2.gz BVPAGKQQKIKIKM-OAQYLSRUSA-N 1 0 459.660 3.849 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnn(C)c1C ZINC001306721755 1069458442 /nfs/dbraw/zinc/45/84/42/1069458442.db2.gz BWRPAMKEWLNHBU-JOCHJYFZSA-N 1 0 450.635 3.981 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001306722104 1069458970 /nfs/dbraw/zinc/45/89/70/1069458970.db2.gz DZZJEQYJZNDWFZ-QFIPXVFZSA-N 1 0 482.673 3.913 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)CC1 ZINC001306722225 1069459728 /nfs/dbraw/zinc/45/97/28/1069459728.db2.gz IYJDZEZXTAJNQL-RBBKRZOGSA-N 1 0 486.636 3.880 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306722580 1069461171 /nfs/dbraw/zinc/46/11/71/1069461171.db2.gz JDRWWGDMYXFTCH-QFIPXVFZSA-N 1 0 481.689 3.998 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001306723325 1069462988 /nfs/dbraw/zinc/46/29/88/1069462988.db2.gz RNININFGFJPLTL-LOSJGSFVSA-N 1 0 482.673 3.503 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001306724483 1069465115 /nfs/dbraw/zinc/46/51/15/1069465115.db2.gz YCECQSBTGSLALZ-JDRJUVJTSA-N 1 0 486.636 3.914 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[C@H]1C(F)(F)F ZINC001311616699 1069468311 /nfs/dbraw/zinc/46/83/11/1069468311.db2.gz JWBHSACKHQCBLT-HZPDHXFCSA-N 1 0 450.546 3.736 20 0 JHADRO C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311619070 1069470010 /nfs/dbraw/zinc/47/00/10/1069470010.db2.gz JJQJEVQWRFDCEI-PGRDOPGGSA-N 1 0 454.546 3.627 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306726832 1069470510 /nfs/dbraw/zinc/47/05/10/1069470510.db2.gz NTFBEYHEEMLHJF-XZOQPEGZSA-N 1 0 474.694 3.869 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306726831 1069470646 /nfs/dbraw/zinc/47/06/46/1069470646.db2.gz NTFBEYHEEMLHJF-PKTZIBPZSA-N 1 0 474.694 3.869 20 0 JHADRO CCOc1ccc(Oc2cc(CNC(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)ccn2)cc1 ZINC001311619555 1069470644 /nfs/dbraw/zinc/47/06/44/1069470644.db2.gz DMCYMUADZUKQFB-HXUWFJFHSA-N 1 0 454.571 3.573 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306727935 1069473809 /nfs/dbraw/zinc/47/38/09/1069473809.db2.gz SHRSJLXREVJMLM-PCCBWWKXSA-N 1 0 476.666 3.540 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001306728170 1069474381 /nfs/dbraw/zinc/47/43/81/1069474381.db2.gz TUXJYHBXOVIYRB-IBGZPJMESA-N 1 0 453.697 3.535 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccn3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306730092 1069478727 /nfs/dbraw/zinc/47/87/27/1069478727.db2.gz GRGOVKNQWZSBLR-NHCUHLMSSA-N 1 0 499.729 3.689 20 0 JHADRO Cc1ccc(C(=O)Nc2cccc(CNC(=O)N3CC[N@H+](C4CCOCC4)C[C@@H]3C)c2)cc1 ZINC001311633791 1069480999 /nfs/dbraw/zinc/48/09/99/1069480999.db2.gz MLVLEJWKHNCJDO-FQEVSTJZSA-N 1 0 450.583 3.642 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(Cc3ccsc3)n2CC[NH+]2CCSCC2)C1 ZINC001306729731 1069479117 /nfs/dbraw/zinc/47/91/17/1069479117.db2.gz AHCZOGIJTBRCBL-FPOVZHCZSA-N 1 0 490.743 3.500 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001306728871 1069476660 /nfs/dbraw/zinc/47/66/60/1069476660.db2.gz FWSGOPFFIPIOIQ-MDNUFGMLSA-N 1 0 454.663 3.973 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001306729269 1069477638 /nfs/dbraw/zinc/47/76/38/1069477638.db2.gz LRZNSRHSBZUTDU-RDPSFJRHSA-N 1 0 454.663 3.996 20 0 JHADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC001311641237 1069485771 /nfs/dbraw/zinc/48/57/71/1069485771.db2.gz VNSIDXJUXQKYKJ-XLIONFOSSA-N 1 0 450.421 3.766 20 0 JHADRO C[C@H](CNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1)C[NH+]1CCCCC1 ZINC001311638109 1069483846 /nfs/dbraw/zinc/48/38/46/1069483846.db2.gz GKIZZGFANXMPAX-MOPGFXCFSA-N 1 0 451.453 3.959 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001306730996 1069484019 /nfs/dbraw/zinc/48/40/19/1069484019.db2.gz LGPCSLKJCZSCTO-BHDDXSALSA-N 1 0 474.694 3.568 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001306731053 1069484435 /nfs/dbraw/zinc/48/44/35/1069484435.db2.gz OJVMHWNEASWXOD-PPGORRQASA-N 1 0 465.708 3.987 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(C)n3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001306731365 1069485436 /nfs/dbraw/zinc/48/54/36/1069485436.db2.gz JCBVHFHYMHZFMU-UZINWLIJSA-N 1 0 499.729 3.607 20 0 JHADRO O=C(CCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC001311654361 1069490296 /nfs/dbraw/zinc/49/02/96/1069490296.db2.gz PUERZXXFXKTNCA-HXUWFJFHSA-N 1 0 459.388 3.742 20 0 JHADRO C[C@@H]1CCC[C@](CNC(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)([NH+](C)C)C1 ZINC001311658171 1069491308 /nfs/dbraw/zinc/49/13/08/1069491308.db2.gz VGOWHTURUJWSKX-ZOCZFRKYSA-N 1 0 458.416 3.549 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C)n2CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001306733386 1069492693 /nfs/dbraw/zinc/49/26/93/1069492693.db2.gz WEOZDFCUKRONBK-YKSBVNFPSA-N 1 0 452.647 3.556 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306734115 1069495456 /nfs/dbraw/zinc/49/54/56/1069495456.db2.gz ANDOVELCWMDTMR-CTNGQTDRSA-N 1 0 488.080 3.858 20 0 JHADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC001311671827 1069497921 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PAWZODPAJJEXJR-INIZCTEOSA-N 1 0 454.388 3.540 20 0 JHADRO CCCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001306770293 1069569478 /nfs/dbraw/zinc/56/94/78/1069569478.db2.gz MSFBIYCRSOPIOT-UHFFFAOYSA-N 1 0 463.468 3.827 20 0 JHADRO CCCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001306770613 1069569993 /nfs/dbraw/zinc/56/99/93/1069569993.db2.gz VTYJAVYHJUCNFR-FQEVSTJZSA-N 1 0 480.451 3.919 20 0 JHADRO CCCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001306772519 1069571054 /nfs/dbraw/zinc/57/10/54/1069571054.db2.gz HYMPGYRDDXCXMY-JYFHCDHNSA-N 1 0 468.690 3.940 20 0 JHADRO C[C@@H](CCNC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[NH+]1CCCCC1 ZINC001311840679 1069574182 /nfs/dbraw/zinc/57/41/82/1069574182.db2.gz YVSPHQQWIMKGKC-GHTZIAJQSA-N 1 0 456.553 3.642 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCC2)C1 ZINC001306778700 1069574387 /nfs/dbraw/zinc/57/43/87/1069574387.db2.gz AYGXQACTXCDOTR-QGZVFWFLSA-N 1 0 479.467 3.899 20 0 JHADRO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001306779913 1069575534 /nfs/dbraw/zinc/57/55/34/1069575534.db2.gz HDNFOGQEKTWXJH-SFHVURJKSA-N 1 0 461.680 3.657 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(Cl)cc2F)C1 ZINC001306779850 1069576205 /nfs/dbraw/zinc/57/62/05/1069576205.db2.gz JNQSFJHNZMALSM-UUOWRZLLSA-N 1 0 480.028 3.939 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC001306780252 1069576688 /nfs/dbraw/zinc/57/66/88/1069576688.db2.gz AIIKESBQSHFIJM-PKOBYXMFSA-N 1 0 478.037 3.669 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)CC)C1 ZINC001306780262 1069577287 /nfs/dbraw/zinc/57/72/87/1069577287.db2.gz AMAVBXWRODQXLY-IBGZPJMESA-N 1 0 465.646 3.796 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)no2)C1 ZINC001306781426 1069579456 /nfs/dbraw/zinc/57/94/56/1069579456.db2.gz UIARZOWUVOPUSH-MRXNPFEDSA-N 1 0 476.423 3.559 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 ZINC001306783341 1069581033 /nfs/dbraw/zinc/58/10/33/1069581033.db2.gz GQZIZXBRCJPBJS-JOCHJYFZSA-N 1 0 485.654 3.608 20 0 JHADRO C[C@@H](NC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC001311859441 1069584951 /nfs/dbraw/zinc/58/49/51/1069584951.db2.gz HVCYIADHIVQPEG-LJQANCHMSA-N 1 0 454.590 3.922 20 0 JHADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001311869981 1069588450 /nfs/dbraw/zinc/58/84/50/1069588450.db2.gz BXEHTSCNLIMXSX-YADHBBJMSA-N 1 0 458.965 3.938 20 0 JHADRO CCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001306784845 1069585443 /nfs/dbraw/zinc/58/54/43/1069585443.db2.gz TZRJBRVKRJAEPH-WTGUMLROSA-N 1 0 478.682 3.783 20 0 JHADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@H](Cc2ccccc2)c2cccs2)c1 ZINC001311863345 1069586751 /nfs/dbraw/zinc/58/67/51/1069586751.db2.gz VLQBHBXMIUXAFP-JOCHJYFZSA-N 1 0 450.608 3.823 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[C@@H](OC)C(F)(F)F)C1 ZINC001306785303 1069586905 /nfs/dbraw/zinc/58/69/05/1069586905.db2.gz PIJKLUJUNGDMMC-LAUBAEHRSA-N 1 0 497.562 3.852 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)N2CCOCC2)C1 ZINC001306786522 1069589206 /nfs/dbraw/zinc/58/92/06/1069589206.db2.gz VONNIOSRDGGIHF-JOCHJYFZSA-N 1 0 454.663 3.532 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)N2CCOCC2)C1 ZINC001306786523 1069589277 /nfs/dbraw/zinc/58/92/77/1069589277.db2.gz VONNIOSRDGGIHF-QFIPXVFZSA-N 1 0 454.663 3.532 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([S@](C)=O)CC2)C1 ZINC001306786953 1069590589 /nfs/dbraw/zinc/59/05/89/1069590589.db2.gz YTAKOLOWBVEXSM-IAQAZVPISA-N 1 0 480.078 3.686 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cnccc2OC)C1 ZINC001306787723 1069592157 /nfs/dbraw/zinc/59/21/57/1069592157.db2.gz HNKGHIGRHOLDRO-FQEVSTJZSA-N 1 0 452.578 3.628 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CC=CCO2)C1 ZINC001306788854 1069594267 /nfs/dbraw/zinc/59/42/67/1069594267.db2.gz MXZUKEHUNKBCPC-DHIUTWEWSA-N 1 0 453.631 3.987 20 0 JHADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001311883299 1069594951 /nfs/dbraw/zinc/59/49/51/1069594951.db2.gz AZVHMXXQUAVBQA-PZJWPPBQSA-N 1 0 457.416 3.849 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCc1ccnc(OCC2CC2)c1 ZINC001311884001 1069595490 /nfs/dbraw/zinc/59/54/90/1069595490.db2.gz JNQMCAQSDFPXEC-UHFFFAOYSA-N 1 0 458.006 3.535 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2c(F)cccc2F)C1 ZINC001306790037 1069596234 /nfs/dbraw/zinc/59/62/34/1069596234.db2.gz UQEOFAGDYIVPPU-FQEVSTJZSA-N 1 0 471.600 3.829 20 0 JHADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC001311888755 1069599161 /nfs/dbraw/zinc/59/91/61/1069599161.db2.gz WPTDJIKEJBHIOU-CABCVRRESA-N 1 0 450.381 3.980 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC001311890260 1069599595 /nfs/dbraw/zinc/59/95/95/1069599595.db2.gz NYESWGGMWKTMBN-TZIWHRDSSA-N 1 0 451.681 3.722 20 0 JHADRO CCC[N@H+](CC)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001306798129 1069603516 /nfs/dbraw/zinc/60/35/16/1069603516.db2.gz NTKJWZYTNHMSGK-OAQYLSRUSA-N 1 0 498.031 3.889 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001306798390 1069604262 /nfs/dbraw/zinc/60/42/62/1069604262.db2.gz WBEJZOQKOFPFTA-OAQYLSRUSA-N 1 0 454.619 3.631 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001306802374 1069608672 /nfs/dbraw/zinc/60/86/72/1069608672.db2.gz JSZOPHFXODLDQH-MRXNPFEDSA-N 1 0 493.479 3.934 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCS[C@@H](C(F)(F)F)C1 ZINC001311905527 1069607743 /nfs/dbraw/zinc/60/77/43/1069607743.db2.gz VKOUBRFEYSPOQA-QGZVFWFLSA-N 1 0 450.958 3.541 20 0 JHADRO 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CCC[N@H+](CC)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(COC)CC1 ZINC001306804374 1069613604 /nfs/dbraw/zinc/61/36/04/1069613604.db2.gz NTCGENAVBUHHGN-UHFFFAOYSA-N 1 0 492.709 3.987 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(Br)c1 ZINC001306805213 1069615584 /nfs/dbraw/zinc/61/55/84/1069615584.db2.gz SUCXMGKHLYQFKA-UHFFFAOYSA-N 1 0 460.424 3.809 20 0 JHADRO CCCCO[C@@H]1C[C@H](N(C)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1(C)C ZINC001311926673 1069615991 /nfs/dbraw/zinc/61/59/91/1069615991.db2.gz BQCBVXRIYYKESM-RJGXRXQPSA-N 1 0 458.647 3.509 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001306806742 1069619529 /nfs/dbraw/zinc/61/95/29/1069619529.db2.gz YLNJAQWPFSRKDS-IBGZPJMESA-N 1 0 459.038 3.922 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccsc2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 ZINC001306806899 1069619546 /nfs/dbraw/zinc/61/95/46/1069619546.db2.gz NYKVFTSEJMKDTQ-XMMPIXPASA-N 1 0 457.619 3.899 20 0 JHADRO Cc1ccc(SC[C@H](C)NC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC001311927707 1069617319 /nfs/dbraw/zinc/61/73/19/1069617319.db2.gz LXHVBOOJRBCHFF-UGKGYDQZSA-N 1 0 454.640 3.672 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001306807169 1069620765 /nfs/dbraw/zinc/62/07/65/1069620765.db2.gz PFMLHOAPRXWBCU-QHCPKHFHSA-N 1 0 497.562 3.935 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCOC[C@@H]1C ZINC001306807565 1069622129 /nfs/dbraw/zinc/62/21/29/1069622129.db2.gz WZGSAIMYRZGREE-INIZCTEOSA-N 1 0 466.424 3.673 20 0 JHADRO CCC[N@H+](CC)CCn1c(N2CCc3cccc(F)c3[C@H]2C)nnc1[C@@]1(OCC)CCOC1 ZINC001306808027 1069623634 /nfs/dbraw/zinc/62/36/34/1069623634.db2.gz FQBHHYXSIIDYDW-KBMIEXCESA-N 1 0 459.610 3.925 20 0 JHADRO CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)[NH+](C)C)cc1 ZINC001311943239 1069623810 /nfs/dbraw/zinc/62/38/10/1069623810.db2.gz AYWPIMOELHXAIH-LEWJYISDSA-N 1 0 450.624 3.925 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001306809199 1069627108 /nfs/dbraw/zinc/62/71/08/1069627108.db2.gz WQOLFKZOIWKPQB-FSSWDIPSSA-N 1 0 490.693 3.945 20 0 JHADRO CCOc1c(OC)cc(Cn2c(C(C)C)nnc2N2CC[NH+](C3CCCC3)CC2)cc1OC ZINC001314156616 1069628435 /nfs/dbraw/zinc/62/84/35/1069628435.db2.gz JZBJDLLKYCDHKM-UHFFFAOYSA-N 1 0 457.619 3.930 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC001311951207 1069631240 /nfs/dbraw/zinc/63/12/40/1069631240.db2.gz JPWNJJKKPYJDIC-URXFXBBRSA-N 1 0 457.640 3.970 20 0 JHADRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)C1 ZINC001311967217 1069641847 /nfs/dbraw/zinc/64/18/47/1069641847.db2.gz HDLGUEAMOHHOKT-GBXCKJPGSA-N 1 0 457.640 3.827 20 0 JHADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)ccc21 ZINC001306845331 1069657073 /nfs/dbraw/zinc/65/70/73/1069657073.db2.gz GLOBCDRARAFHBU-DEMHQBCASA-N 1 0 453.608 3.887 20 0 JHADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCSCCOc1cccc(Br)c1 ZINC001312002826 1069662685 /nfs/dbraw/zinc/66/26/85/1069662685.db2.gz GXASBUAMYACNFH-MSOLQXFVSA-N 1 0 456.450 3.829 20 0 JHADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC[C@@H]1Cc1ccccc1Br ZINC001312010810 1069667666 /nfs/dbraw/zinc/66/76/66/1069667666.db2.gz GDMZZCRLRNMCGZ-UXHICEINSA-N 1 0 450.421 3.809 20 0 JHADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC(c2ccc(Br)cc2)CC1 ZINC001312012065 1069668842 /nfs/dbraw/zinc/66/88/42/1069668842.db2.gz KQCXSNGJEBXSDE-NRFANRHFSA-N 1 0 450.421 3.982 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC=C(C)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001314169320 1069676149 /nfs/dbraw/zinc/67/61/49/1069676149.db2.gz LVFPXVXAHXAKMK-UHFFFAOYSA-N 1 0 468.646 3.535 20 0 JHADRO CO[C@@H]1C[C@H](N(C)C(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C12CCC2 ZINC001312023948 1069677087 /nfs/dbraw/zinc/67/70/87/1069677087.db2.gz FGILDUGLDJRTMX-VQTJNVASSA-N 1 0 454.537 3.556 20 0 JHADRO 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CCC[NH+](CCC)CCCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001307004604 1069699787 /nfs/dbraw/zinc/69/97/87/1069699787.db2.gz GEGZGAKBUQUOQF-INIZCTEOSA-N 1 0 497.507 3.948 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001307004672 1069700301 /nfs/dbraw/zinc/70/03/01/1069700301.db2.gz HWBHUYSQDLQYKY-WATLYSKOSA-N 1 0 456.635 3.625 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001314175739 1069703336 /nfs/dbraw/zinc/70/33/36/1069703336.db2.gz YRGXCTOGIBKBOU-QHCPKHFHSA-N 1 0 498.672 3.531 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CC2([NH+](C)C)CCOCC2)cc1OC ZINC001314175893 1069703944 /nfs/dbraw/zinc/70/39/44/1069703944.db2.gz GGMPLVHFVLHFRK-UHFFFAOYSA-N 1 0 479.572 3.699 20 0 JHADRO CCCN(CCn1c(C2CCC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001307008289 1069704525 /nfs/dbraw/zinc/70/45/25/1069704525.db2.gz FBKRALNJRWLMQV-OAQYLSRUSA-N 1 0 490.693 3.741 20 0 JHADRO 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CCOc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CC[NH+]2CCSCC2)cc1OC ZINC001314178462 1069715477 /nfs/dbraw/zinc/71/54/77/1069715477.db2.gz VHWJDMLSKUOURG-UHFFFAOYSA-N 1 0 467.586 3.637 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2CCC(=O)NC2CCCCC2)cc1OC ZINC001314178931 1069717205 /nfs/dbraw/zinc/71/72/05/1069717205.db2.gz IBWCTJYWNUSBOC-HXUWFJFHSA-N 1 0 498.672 3.722 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H](OC)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001314179264 1069718358 /nfs/dbraw/zinc/71/83/58/1069718358.db2.gz UUOMIQMAOMSSPR-UGKGYDQZSA-N 1 0 457.619 3.698 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2Cc2csc(C)c2)cc1OC ZINC001314179637 1069719502 /nfs/dbraw/zinc/71/95/02/1069719502.db2.gz PFAMGBCEFMLAIH-SFHVURJKSA-N 1 0 485.654 3.928 20 0 JHADRO C[C@H]1CN(C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CC[N@@H+](C2CCC2)C1 ZINC001312127033 1069734283 /nfs/dbraw/zinc/73/42/83/1069734283.db2.gz CDULUBSEIHOYCE-DVECYGJZSA-N 1 0 455.624 3.695 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001307028902 1069735743 /nfs/dbraw/zinc/73/57/43/1069735743.db2.gz CPUPKASAQTUPQA-OAQYLSRUSA-N 1 0 456.610 3.671 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)C1 ZINC001307032220 1069742943 /nfs/dbraw/zinc/74/29/43/1069742943.db2.gz RGGQKLHAKZODSD-FQEVSTJZSA-N 1 0 450.587 3.574 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001307032376 1069743847 /nfs/dbraw/zinc/74/38/47/1069743847.db2.gz RWADOFNPKJCNIA-OALUTQOASA-N 1 0 457.619 3.698 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001307032484 1069744101 /nfs/dbraw/zinc/74/41/01/1069744101.db2.gz UCLGNASXGXVVLV-UXHICEINSA-N 1 0 489.064 3.692 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001307032648 1069745497 /nfs/dbraw/zinc/74/54/97/1069745497.db2.gz KFZRGJCGDPXQKZ-CJAUYULYSA-N 1 0 489.064 3.895 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCS(=O)CC2)C1 ZINC001307034747 1069751120 /nfs/dbraw/zinc/75/11/20/1069751120.db2.gz RDVWWQSMCGNMNU-VQTJNVASSA-N 1 0 494.105 3.989 20 0 JHADRO C[C@@H](NC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC001312153422 1069751944 /nfs/dbraw/zinc/75/19/44/1069751944.db2.gz LDHHWGUICWFDGD-FGZHOGPDSA-N 1 0 450.627 3.848 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(C)CC2)CC1 ZINC001307033773 1069748362 /nfs/dbraw/zinc/74/83/62/1069748362.db2.gz MHSJLGYHDGRABQ-UHFFFAOYSA-N 1 0 488.702 3.554 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001307033440 1069748418 /nfs/dbraw/zinc/74/84/18/1069748418.db2.gz LAZMRWXJNKEGPY-OAQYLSRUSA-N 1 0 480.078 3.734 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307033793 1069749153 /nfs/dbraw/zinc/74/91/53/1069749153.db2.gz DPLXEDDBUHPASM-PZJWPPBQSA-N 1 0 469.634 3.566 20 0 JHADRO C[N@H+](CCCOc1ccccc1CNC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1)C1CCCC1 ZINC001312149635 1069749402 /nfs/dbraw/zinc/74/94/02/1069749402.db2.gz SAOCSLGTTBHBRN-AZUAARDMSA-N 1 0 457.537 3.642 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001307034059 1069749642 /nfs/dbraw/zinc/74/96/42/1069749642.db2.gz HRSJBQMTHPTEBB-AOIWGVFYSA-N 1 0 452.525 3.536 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001307034722 1069750330 /nfs/dbraw/zinc/75/03/30/1069750330.db2.gz QNNYSOGQDVCUBA-IBGZPJMESA-N 1 0 486.636 3.771 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](COCC)C2)C1 ZINC001307035519 1069753393 /nfs/dbraw/zinc/75/33/93/1069753393.db2.gz VPJXUNHJRLTLRF-IAGOWNOFSA-N 1 0 465.440 3.630 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001307036389 1069755987 /nfs/dbraw/zinc/75/59/87/1069755987.db2.gz XYJMZHWFOQHGKA-WIYYLYMNSA-N 1 0 480.078 3.734 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@H](CCOC)C2)C1 ZINC001307036207 1069756033 /nfs/dbraw/zinc/75/60/33/1069756033.db2.gz MXYZLEMBZDXYBL-FCHUYYIVSA-N 1 0 468.646 3.742 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(C)C)nnc2N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)C1 ZINC001307037128 1069758325 /nfs/dbraw/zinc/75/83/25/1069758325.db2.gz SLKFRSLAFSFCRC-SFTDATJTSA-N 1 0 453.635 3.692 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001307037676 1069759153 /nfs/dbraw/zinc/75/91/53/1069759153.db2.gz DXWRLEKLXKNDBO-HSZRJFAPSA-N 1 0 498.672 3.797 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3OC)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)CC1 ZINC001307037723 1069760006 /nfs/dbraw/zinc/76/00/06/1069760006.db2.gz GBMSXGCFNILRES-QFIPXVFZSA-N 1 0 482.673 3.817 20 0 JHADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001312166454 1069760467 /nfs/dbraw/zinc/76/04/67/1069760467.db2.gz NBSRFCLAROXBOW-IBGZPJMESA-N 1 0 454.537 3.868 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(Cc3csc(CC)n3)CC2)C1 ZINC001307038127 1069760782 /nfs/dbraw/zinc/76/07/82/1069760782.db2.gz ABRQTNNEQJDSMH-FQEVSTJZSA-N 1 0 459.708 3.550 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C(N)=O)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001314193832 1069761855 /nfs/dbraw/zinc/76/18/55/1069761855.db2.gz OGAHSIJDIFYFRN-FQEVSTJZSA-N 1 0 498.672 3.783 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001307038806 1069762268 /nfs/dbraw/zinc/76/22/68/1069762268.db2.gz LLWBAADVPMQUTL-VWLOTQADSA-N 1 0 473.065 3.607 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001314194663 1069765432 /nfs/dbraw/zinc/76/54/32/1069765432.db2.gz CHVREZBSBGZDEZ-VIZSFHNOSA-N 1 0 498.672 3.639 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3csc(C)n3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001307040339 1069766774 /nfs/dbraw/zinc/76/67/74/1069766774.db2.gz NDWPDJRJHWATLT-UHFFFAOYSA-N 1 0 487.718 3.639 20 0 JHADRO O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001312178099 1069767476 /nfs/dbraw/zinc/76/74/76/1069767476.db2.gz JIEDZOXLYXBWGI-RUZDIDTESA-N 1 0 451.611 3.969 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CC2CCOCC2)cc1 ZINC001314195131 1069768531 /nfs/dbraw/zinc/76/85/31/1069768531.db2.gz CBGCHYQPQYDTAD-HXUWFJFHSA-N 1 0 457.619 3.774 20 0 JHADRO CC(C)[NH+](CCCNC(=O)N1CCC2(CO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1)C(C)C ZINC001312182829 1069769714 /nfs/dbraw/zinc/76/97/14/1069769714.db2.gz VVWRJKYPDCRAAR-HXUWFJFHSA-N 1 0 454.656 3.601 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001314195646 1069770828 /nfs/dbraw/zinc/77/08/28/1069770828.db2.gz DURLLULRDYCTKK-NJDAHSKKSA-N 1 0 457.619 3.916 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2C[C@H](C)SC)cc1 ZINC001314195628 1069770935 /nfs/dbraw/zinc/77/09/35/1069770935.db2.gz DODMLLUZVMZCPQ-PMACEKPBSA-N 1 0 489.686 3.869 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(OC)cc2OC)CC1 ZINC001307043280 1069774558 /nfs/dbraw/zinc/77/45/58/1069774558.db2.gz OJFGPYMRHQAAAR-JOCHJYFZSA-N 1 0 471.646 3.948 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001307042530 1069771984 /nfs/dbraw/zinc/77/19/84/1069771984.db2.gz JMLVDAJMSKEFGU-LRXVAGHRSA-N 1 0 473.584 3.781 20 0 JHADRO C[C@H](CCNC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC001312189194 1069772482 /nfs/dbraw/zinc/77/24/82/1069772482.db2.gz KKPWQMLRJQDETF-QFQXNSOFSA-N 1 0 452.599 3.997 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC001307042617 1069772935 /nfs/dbraw/zinc/77/29/35/1069772935.db2.gz KLTLGVLSQUKOPB-OALUTQOASA-N 1 0 473.618 3.698 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](CC)C2)C1 ZINC001307042983 1069773657 /nfs/dbraw/zinc/77/36/57/1069773657.db2.gz MRTNZOOYTOSJNA-BDTNDASRSA-N 1 0 490.693 3.740 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3cccc(C)c3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001307043133 1069773760 /nfs/dbraw/zinc/77/37/60/1069773760.db2.gz ZNWUMXVJSHPKTO-XMMPIXPASA-N 1 0 482.673 3.592 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2sc(CC)nc2C)CC1 ZINC001307043944 1069776750 /nfs/dbraw/zinc/77/67/50/1069776750.db2.gz VZQIFWIAECHSIX-IEBWSBKVSA-N 1 0 473.691 3.876 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001307044393 1069777285 /nfs/dbraw/zinc/77/72/85/1069777285.db2.gz ZQJBDCKBPPSGSF-HSZRJFAPSA-N 1 0 489.686 3.682 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001307044301 1069777337 /nfs/dbraw/zinc/77/73/37/1069777337.db2.gz PKUBZFKKLRVYHE-VXKWHMMOSA-N 1 0 490.693 3.645 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001314197060 1069778595 /nfs/dbraw/zinc/77/85/95/1069778595.db2.gz LZJIQFYFMYEUFV-SJORKVTESA-N 1 0 485.551 3.661 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCOC[C@H]2C)C1 ZINC001307044616 1069778824 /nfs/dbraw/zinc/77/88/24/1069778824.db2.gz HADUUVPIECHKRF-QZTJIDSGSA-N 1 0 478.435 3.577 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001307044657 1069779032 /nfs/dbraw/zinc/77/90/32/1069779032.db2.gz HXZLKYMUVLUCHG-SFTDATJTSA-N 1 0 478.682 3.630 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)NCc1c(Cl)cccc1OC(F)F ZINC001312207489 1069782634 /nfs/dbraw/zinc/78/26/34/1069782634.db2.gz ZPYQAUFNKIYUBJ-UHFFFAOYSA-N 1 0 453.917 3.898 20 0 JHADRO CCOc1cccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001314198210 1069782685 /nfs/dbraw/zinc/78/26/85/1069782685.db2.gz HWCYQYHKRQVZEH-UHFFFAOYSA-N 1 0 477.613 3.534 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001307045129 1069780194 /nfs/dbraw/zinc/78/01/94/1069780194.db2.gz KPZDSYPJYLFWHF-UHFFFAOYSA-N 1 0 482.673 3.655 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)C1 ZINC001307045390 1069781741 /nfs/dbraw/zinc/78/17/41/1069781741.db2.gz WGZHADAYDZHHQO-QUCCMNQESA-N 1 0 471.646 3.669 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N3C[C@@H](C)[C@H](C(F)(F)F)C3)nnc2[C@@]2(OCC)CCOC2)CC1 ZINC001307046520 1069785450 /nfs/dbraw/zinc/78/54/50/1069785450.db2.gz LSCXDMGWRYAYCY-SFGWALBWSA-N 1 0 473.584 3.687 20 0 JHADRO CCN(CCOc1ccc(Br)cc1)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC001312213138 1069785871 /nfs/dbraw/zinc/78/58/71/1069785871.db2.gz WPMWAGCBDHBURX-UHFFFAOYSA-N 1 0 456.425 3.749 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(C(=O)NC)CC2)C1 ZINC001307047221 1069788366 /nfs/dbraw/zinc/78/83/66/1069788366.db2.gz RIGICWPKWYYHTP-HXUWFJFHSA-N 1 0 470.687 3.573 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCc2cn[nH]c2)cc1 ZINC001314199856 1069789203 /nfs/dbraw/zinc/78/92/03/1069789203.db2.gz RGQYCYSNHWBCSV-LJQANCHMSA-N 1 0 467.618 3.703 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2c(C)nn(C)c2C)C1 ZINC001307047686 1069790548 /nfs/dbraw/zinc/79/05/48/1069790548.db2.gz XZVFBHRSPAGQTL-MQSCRBSSSA-N 1 0 471.694 3.915 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCCC[C@@H](SCC)C3)nnc2[C@@]2(OCC)CCOC2)C1 ZINC001307047521 1069789681 /nfs/dbraw/zinc/78/96/81/1069789681.db2.gz UPABYGYSEXHUKZ-YZUZCNPQSA-N 1 0 465.708 3.774 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001307047543 1069789775 /nfs/dbraw/zinc/78/97/75/1069789775.db2.gz UZEUURVLSGTGRY-JOCHJYFZSA-N 1 0 484.714 3.963 20 0 JHADRO COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC001312218658 1069789877 /nfs/dbraw/zinc/78/98/77/1069789877.db2.gz HCUPHMXUCIOKLZ-ZAWLATJESA-N 1 0 455.521 3.526 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001307047904 1069792140 /nfs/dbraw/zinc/79/21/40/1069792140.db2.gz DXYFJMYXHYVDCI-UHFFFAOYSA-N 1 0 486.970 3.511 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001307048391 1069793895 /nfs/dbraw/zinc/79/38/95/1069793895.db2.gz SCAFNBHKHPWIKN-UHFFFAOYSA-N 1 0 490.656 3.716 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001307048800 1069794626 /nfs/dbraw/zinc/79/46/26/1069794626.db2.gz YYTUWPIHLCJMRH-IBVKSMDESA-N 1 0 455.647 3.739 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2OCC)CC1 ZINC001307049815 1069798914 /nfs/dbraw/zinc/79/89/14/1069798914.db2.gz RTLMHKJKENPGOB-UHFFFAOYSA-N 1 0 468.646 3.580 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(N4CCCCC4=O)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001314202234 1069799600 /nfs/dbraw/zinc/79/96/00/1069799600.db2.gz YKOORHGEPGELJD-LEWJYISDSA-N 1 0 498.672 3.748 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2CCCn2cccn2)CC1 ZINC001307049340 1069797583 /nfs/dbraw/zinc/79/75/83/1069797583.db2.gz JRODTRXSTTXLPW-UHFFFAOYSA-N 1 0 489.466 3.644 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2CCOc2ccc(F)c(Cl)c2)CC1 ZINC001307049702 1069798173 /nfs/dbraw/zinc/79/81/73/1069798173.db2.gz PSJJPUXTOBIUSM-UHFFFAOYSA-N 1 0 481.016 3.598 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)OC)CC1 ZINC001307051114 1069802853 /nfs/dbraw/zinc/80/28/53/1069802853.db2.gz XJPYQDVGOXCCQE-UHFFFAOYSA-N 1 0 453.429 3.771 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001307051613 1069804061 /nfs/dbraw/zinc/80/40/61/1069804061.db2.gz QASLDNXSLMNKON-GOTSBHOMSA-N 1 0 452.647 3.750 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCOCC)CC1 ZINC001307052272 1069807511 /nfs/dbraw/zinc/80/75/11/1069807511.db2.gz VWVYZEQONVYCMO-UHFFFAOYSA-N 1 0 481.645 3.583 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](c4nccs4)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001314203523 1069807764 /nfs/dbraw/zinc/80/77/64/1069807764.db2.gz QILQNUWJEUDAFG-DBXWQHBBSA-N 1 0 486.642 3.801 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001307052583 1069808584 /nfs/dbraw/zinc/80/85/84/1069808584.db2.gz CNTAAJSKGFJYJH-YADHBBJMSA-N 1 0 489.064 3.912 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001307053211 1069810896 /nfs/dbraw/zinc/81/08/96/1069810896.db2.gz BHDABTXUIYNSII-ZWKOTPCHSA-N 1 0 489.462 3.639 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001307053275 1069812125 /nfs/dbraw/zinc/81/21/25/1069812125.db2.gz CGPFEFNSPMJMPE-OAQYLSRUSA-N 1 0 485.629 3.616 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307053704 1069813756 /nfs/dbraw/zinc/81/37/56/1069813756.db2.gz JNFGRVUGJRLBJV-WMZHIEFXSA-N 1 0 486.636 3.927 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001307053434 1069812297 /nfs/dbraw/zinc/81/22/97/1069812297.db2.gz NWQVYGAFMMXNBK-XMMPIXPASA-N 1 0 496.700 3.641 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCn1cccn1 ZINC001307054822 1069817906 /nfs/dbraw/zinc/81/79/06/1069817906.db2.gz MZQCJJOOBMPRRG-SFHVURJKSA-N 1 0 475.439 3.633 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001307055732 1069822320 /nfs/dbraw/zinc/82/23/20/1069822320.db2.gz RNSTUJJEYUGTDK-YPAWHYETSA-N 1 0 498.672 3.748 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001307055541 1069823274 /nfs/dbraw/zinc/82/32/74/1069823274.db2.gz PSTQBMSHPRODOQ-PZJWPPBQSA-N 1 0 459.038 3.825 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1CC ZINC001307055264 1069820921 /nfs/dbraw/zinc/82/09/21/1069820921.db2.gz ORPIKZPVJLLWOL-SFTDATJTSA-N 1 0 459.660 3.992 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)CC1 ZINC001307055254 1069820977 /nfs/dbraw/zinc/82/09/77/1069820977.db2.gz OPHSGGNZDKRDMN-QGZVFWFLSA-N 1 0 465.429 3.843 20 0 JHADRO CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC001312269216 1069825613 /nfs/dbraw/zinc/82/56/13/1069825613.db2.gz BTVKLRVFHYPHQI-MOPGFXCFSA-N 1 0 452.640 3.797 20 0 JHADRO CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC001312269217 1069825721 /nfs/dbraw/zinc/82/57/21/1069825721.db2.gz BTVKLRVFHYPHQI-OALUTQOASA-N 1 0 452.640 3.797 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001314209705 1069829282 /nfs/dbraw/zinc/82/92/82/1069829282.db2.gz WYGKYNOTRBYGGW-UHFFFAOYSA-N 1 0 457.667 3.717 20 0 JHADRO CCOc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)c1OC(F)F ZINC001314209844 1069829401 /nfs/dbraw/zinc/82/94/01/1069829401.db2.gz JWXFLFVBFXKXFI-HKUYNNGSSA-N 1 0 479.572 3.751 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001307056817 1069829798 /nfs/dbraw/zinc/82/97/98/1069829798.db2.gz CEPGSDBAHNTMRG-HSZRJFAPSA-N 1 0 483.657 3.726 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001307056950 1069830428 /nfs/dbraw/zinc/83/04/28/1069830428.db2.gz UADSHCSYOKMMJD-IBGZPJMESA-N 1 0 460.589 3.715 20 0 JHADRO CCOc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001314210546 1069832015 /nfs/dbraw/zinc/83/20/15/1069832015.db2.gz VLVVARNAPRTUPJ-UHFFFAOYSA-N 1 0 451.619 3.554 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001307057345 1069833008 /nfs/dbraw/zinc/83/30/08/1069833008.db2.gz IYGKPUIITTZPGH-BHIFYINESA-N 1 0 490.693 3.788 20 0 JHADRO COc1ccccc1N1CC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)C1 ZINC001312280729 1069834581 /nfs/dbraw/zinc/83/45/81/1069834581.db2.gz WBMIPCALVRXFPO-OALUTQOASA-N 1 0 450.505 3.895 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1F ZINC001307057386 1069834597 /nfs/dbraw/zinc/83/45/97/1069834597.db2.gz JIUOOMFUUAWCSO-SFTDATJTSA-N 1 0 477.650 3.610 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N(C)OC ZINC001307057415 1069834866 /nfs/dbraw/zinc/83/48/66/1069834866.db2.gz FNFUSWOIPLRXFO-KRWDZBQOSA-N 1 0 452.397 3.882 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC001307057675 1069835461 /nfs/dbraw/zinc/83/54/61/1069835461.db2.gz WXFKRBAVSBNVHW-UNMCSNQZSA-N 1 0 455.647 3.980 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001307058322 1069839489 /nfs/dbraw/zinc/83/94/89/1069839489.db2.gz YXUKPUDEBNGIBZ-RBBKRZOGSA-N 1 0 490.693 3.882 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001307059176 1069843507 /nfs/dbraw/zinc/84/35/07/1069843507.db2.gz RCRYARCSEOKYDR-BJKOFHAPSA-N 1 0 482.673 3.843 20 0 JHADRO COCC[N@H+]1[C@H](C)CN(C(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)C[C@@H]1C ZINC001312294990 1069843750 /nfs/dbraw/zinc/84/37/50/1069843750.db2.gz QNEIIUWAIDZLCB-BGYRXZFFSA-N 1 0 454.656 3.697 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC1COC(C)(C)OC1 ZINC001307059314 1069844655 /nfs/dbraw/zinc/84/46/55/1069844655.db2.gz RPARTMIEQJPLOX-HSZRJFAPSA-N 1 0 485.673 3.977 20 0 JHADRO CCOc1ccccc1OCc1nnc(N(C)[C@@H]2CCOC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314215043 1069845802 /nfs/dbraw/zinc/84/58/02/1069845802.db2.gz FRJBQPCDTIVOQV-IPVFLDMMSA-N 1 0 471.646 3.991 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001307059703 1069846029 /nfs/dbraw/zinc/84/60/29/1069846029.db2.gz ZBJYYLITAJDPMG-HXUWFJFHSA-N 1 0 461.724 3.745 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001307060012 1069847061 /nfs/dbraw/zinc/84/70/61/1069847061.db2.gz ZAABNXSJSVOUIT-VXKWHMMOSA-N 1 0 461.676 3.825 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001307061021 1069851702 /nfs/dbraw/zinc/85/17/02/1069851702.db2.gz DGBXCFNXQHCRKX-OAQYLSRUSA-N 1 0 468.646 3.523 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001314217489 1069854018 /nfs/dbraw/zinc/85/40/18/1069854018.db2.gz JTNCSDGWXSQJIT-PMACEKPBSA-N 1 0 457.619 3.744 20 0 JHADRO CCCN1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC[N@@H+]2CC)CC1=O ZINC001307061972 1069856629 /nfs/dbraw/zinc/85/66/29/1069856629.db2.gz RZTLBEWUWKWLLN-XZOQPEGZSA-N 1 0 482.673 3.968 20 0 JHADRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001312316758 1069859479 /nfs/dbraw/zinc/85/94/79/1069859479.db2.gz QDKUHZBALFVJJX-QGZVFWFLSA-N 1 0 450.986 3.930 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](CC)[NH+]2CCCC2)CC1=O ZINC001307065157 1069869343 /nfs/dbraw/zinc/86/93/43/1069869343.db2.gz YIJBYXDCYRAOFS-OAQYLSRUSA-N 1 0 459.038 3.922 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001307066907 1069876354 /nfs/dbraw/zinc/87/63/54/1069876354.db2.gz KYPAJHYPQQQCJW-WOJBJXKFSA-N 1 0 478.682 3.570 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001307065930 1069873467 /nfs/dbraw/zinc/87/34/67/1069873467.db2.gz GHTGKSHBIPFEJW-NNXSRULWSA-N 1 0 474.694 3.553 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[C@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314222727 1069878523 /nfs/dbraw/zinc/87/85/23/1069878523.db2.gz QIXPWLOPBWFUJS-CYFREDJKSA-N 1 0 459.660 3.929 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@](C)(O)CC ZINC001314224731 1069887063 /nfs/dbraw/zinc/88/70/63/1069887063.db2.gz USGRPGQZHDRWIY-VWLOTQADSA-N 1 0 459.635 3.727 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001307069803 1069882976 /nfs/dbraw/zinc/88/29/76/1069882976.db2.gz UFQJBFRUDSHCTG-FQEVSTJZSA-N 1 0 464.655 3.573 20 0 JHADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001312367127 1069890721 /nfs/dbraw/zinc/89/07/21/1069890721.db2.gz IUKACUJEWWIZAT-OAQYLSRUSA-N 1 0 459.388 3.844 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001314225426 1069890622 /nfs/dbraw/zinc/89/06/22/1069890622.db2.gz LNNQZBFDMBYSAY-GOSISDBHSA-N 1 0 499.685 3.984 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CCC[C@H](O)C1 ZINC001314225958 1069893791 /nfs/dbraw/zinc/89/37/91/1069893791.db2.gz CSCVNZNVUSOZQD-VXKWHMMOSA-N 1 0 471.646 3.727 20 0 JHADRO CC[C@@H](C)Oc1cc(CNC(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)ccn1 ZINC001312374911 1069895274 /nfs/dbraw/zinc/89/52/74/1069895274.db2.gz FHAVMEKCBCERSW-GOSISDBHSA-N 1 0 453.587 3.681 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@@H](CC)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001314227709 1069903387 /nfs/dbraw/zinc/90/33/87/1069903387.db2.gz AOZRHFJKMCPGFC-SFTDATJTSA-N 1 0 457.619 3.603 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCOC(C)(C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314229164 1069910532 /nfs/dbraw/zinc/91/05/32/1069910532.db2.gz QSXHKHXFXZPXFQ-JOCHJYFZSA-N 1 0 471.646 3.991 20 0 JHADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)NCc3ccc4oc(=O)[nH]c4c3)cc2)C[C@H]1C ZINC001312404882 1069912594 /nfs/dbraw/zinc/91/25/94/1069912594.db2.gz OAJHIFXVQPONRF-HDICACEKSA-N 1 0 452.555 3.542 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314229773 1069913445 /nfs/dbraw/zinc/91/34/45/1069913445.db2.gz WWXQQHFYZHDQDC-LEWJYISDSA-N 1 0 471.646 3.991 20 0 JHADRO COc1cccc(-n2c(=O)c3ccccc3nc2SCCCN2CC[NH+](C(C)C)CC2)c1 ZINC001307252842 1069916459 /nfs/dbraw/zinc/91/64/59/1069916459.db2.gz FSESCJLADCROFI-UHFFFAOYSA-N 1 0 452.624 3.903 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)Cc2ccccc21 ZINC001312412663 1069918906 /nfs/dbraw/zinc/91/89/06/1069918906.db2.gz MCQOMROUFKVIGK-PERKRYKHSA-N 1 0 459.949 3.954 20 0 JHADRO CCOc1ncccc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001314231719 1069919109 /nfs/dbraw/zinc/91/91/09/1069919109.db2.gz KYIDQSSNNPDJSA-SFHVURJKSA-N 1 0 471.005 3.597 20 0 JHADRO C[NH+](C)CCOc1cc(CNC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)ccn1 ZINC001312415094 1069920889 /nfs/dbraw/zinc/92/08/89/1069920889.db2.gz OPHDUXODZPWKCL-UHFFFAOYSA-N 1 0 454.468 3.711 20 0 JHADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001312425094 1069928374 /nfs/dbraw/zinc/92/83/74/1069928374.db2.gz GQAXLLIAHKZBBP-HUUCEWRRSA-N 1 0 450.299 3.725 20 0 JHADRO CN1CCO[C@H]([C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)c2ccc(Cl)cc2)C1 ZINC001312427530 1069929607 /nfs/dbraw/zinc/92/96/07/1069929607.db2.gz WMAQJFOBDZQHQJ-SFTDATJTSA-N 1 0 451.036 3.547 20 0 JHADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC001312440953 1069939117 /nfs/dbraw/zinc/93/91/17/1069939117.db2.gz AVMHXXLFQMYDCZ-JOCHJYFZSA-N 1 0 458.965 3.810 20 0 JHADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001312444550 1069942026 /nfs/dbraw/zinc/94/20/26/1069942026.db2.gz USWMVUSHSCIBTQ-XMSQKQJNSA-N 1 0 458.965 3.748 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001312456365 1069950770 /nfs/dbraw/zinc/95/07/70/1069950770.db2.gz OMNLIKKXMIRMNV-PELCHIHVSA-N 1 0 456.631 3.795 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)[NH+](C)C)C12CCC2 ZINC001314243466 1069952254 /nfs/dbraw/zinc/95/22/54/1069952254.db2.gz LDWKQZOQNROTNV-MTNREXPMSA-N 1 0 457.619 3.696 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc([C@]3(OCC)CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1(C)C ZINC001314243577 1069953008 /nfs/dbraw/zinc/95/30/08/1069953008.db2.gz AGSGNVPIXLXQEY-YPCDYVTLSA-N 1 0 477.694 3.692 20 0 JHADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)NCc1cc(Cl)ccc1Br ZINC001312482250 1069962776 /nfs/dbraw/zinc/96/27/76/1069962776.db2.gz ULIQSYFHQYMUND-SFHVURJKSA-N 1 0 452.780 3.669 20 0 JHADRO CC[C@@H](OCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 ZINC001307424257 1069977827 /nfs/dbraw/zinc/97/78/27/1069977827.db2.gz KRXUSNBLMRKDMR-XZOQPEGZSA-N 1 0 459.631 3.946 20 0 JHADRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001307425807 1069978695 /nfs/dbraw/zinc/97/86/95/1069978695.db2.gz PADTVTROSFGMTE-IEBWSBKVSA-N 1 0 456.757 3.664 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@H]([NH+]2CCC(NC(=O)c3ccsc3)CC2)[C@H](O)c2ccccc21 ZINC001307429350 1069980613 /nfs/dbraw/zinc/98/06/13/1069980613.db2.gz WDOJNHAIUWRPAZ-NHCUHLMSSA-N 1 0 457.596 3.800 20 0 JHADRO COc1ccc(CN2CC[C@@H]([NH+]3CCC([C@H]4CCCN4C(=O)OC(C)(C)C)CC3)C2=O)cc1 ZINC001307437924 1069983243 /nfs/dbraw/zinc/98/32/43/1069983243.db2.gz HSJOSMJCUMMCMF-DHIUTWEWSA-N 1 0 457.615 3.908 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3n[nH]c(=O)c4ccccc43)n2C[C@H](C)[NH+](CC)CC)C1(C)C ZINC001314252657 1069983470 /nfs/dbraw/zinc/98/34/70/1069983470.db2.gz FIKXHAAZJJDQFB-IOMROCGXSA-N 1 0 481.645 3.964 20 0 JHADRO CCOC(=O)c1csc(CCNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC001312516795 1069984961 /nfs/dbraw/zinc/98/49/61/1069984961.db2.gz MTXFSWGHLVPTCM-DEOSSOPVSA-N 1 0 456.612 3.560 20 0 JHADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC001307452458 1069992936 /nfs/dbraw/zinc/99/29/36/1069992936.db2.gz ZURCKCKFOLRYFG-GASCZTMLSA-N 1 0 454.438 3.551 20 0 JHADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC001307452460 1069993133 /nfs/dbraw/zinc/99/31/33/1069993133.db2.gz ZURCKCKFOLRYFG-HUUCEWRRSA-N 1 0 454.438 3.551 20 0 JHADRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001307459143 1069997649 /nfs/dbraw/zinc/99/76/49/1069997649.db2.gz MHWOARJLLMFSKB-XMMPIXPASA-N 1 0 454.521 3.819 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cnccn3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1(C)C ZINC001314258564 1069995638 /nfs/dbraw/zinc/99/56/38/1069995638.db2.gz QFEFKXRFNVMBGC-BLKABHOGSA-N 1 0 455.651 3.743 20 0 JHADRO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001307469798 1070002935 /nfs/dbraw/zinc/00/29/35/1070002935.db2.gz GWEJBOBVFPNUAX-NRFANRHFSA-N 1 0 459.631 3.944 20 0 JHADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001307479364 1070008038 /nfs/dbraw/zinc/00/80/38/1070008038.db2.gz OVPIYZAJMIZRBV-ZWKOTPCHSA-N 1 0 457.537 3.865 20 0 JHADRO Cc1cccc(C)c1OC[C@H](O)CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001312553512 1070009816 /nfs/dbraw/zinc/00/98/16/1070009816.db2.gz SLXPATSNBZNEOK-WOJBJXKFSA-N 1 0 453.505 3.664 20 0 JHADRO CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@@H+]3CCC4(CCCC4)C3)C2=O)cc1 ZINC001307492828 1070016571 /nfs/dbraw/zinc/01/65/71/1070016571.db2.gz QGWYIQCDWNAHRD-HMMYKYKNSA-N 1 0 457.596 3.504 20 0 JHADRO NC(=O)c1ccc(CC[NH+]2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)cc1 ZINC001307491063 1070014886 /nfs/dbraw/zinc/01/48/86/1070014886.db2.gz RDFRDZNRCQSCOW-UHFFFAOYSA-N 1 0 451.464 3.636 20 0 JHADRO O=C(CN1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001307501186 1070019905 /nfs/dbraw/zinc/01/99/05/1070019905.db2.gz JUYYEROJYUPOBW-AWEZNQCLSA-N 1 0 455.411 3.710 20 0 JHADRO COc1ccc(C2=NO[C@H](CNC(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)cc1F ZINC001312569359 1070020066 /nfs/dbraw/zinc/02/00/66/1070020066.db2.gz BSUHEDRBQHAHKG-RTWAWAEBSA-N 1 0 454.546 3.681 20 0 JHADRO O=C(C[N@@H+]1CCCC2(C1)CCCCCC2)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001307505055 1070022790 /nfs/dbraw/zinc/02/27/90/1070022790.db2.gz AHYUERVADMJFQB-HKWRFOASSA-N 1 0 456.612 3.671 20 0 JHADRO CCCN(CC[NH+]1CCCCC1)C(=O)NCCOc1ccc(I)cc1 ZINC001312573949 1070023399 /nfs/dbraw/zinc/02/33/99/1070023399.db2.gz VNSQHWYZBHJIGB-UHFFFAOYSA-N 1 0 459.372 3.578 20 0 JHADRO CCO[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001314270137 1070024159 /nfs/dbraw/zinc/02/41/59/1070024159.db2.gz ZYPFNDZYDXVEBC-NQIIRXRSSA-N 1 0 463.623 3.611 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C[C@H]2C1 ZINC001312576300 1070024553 /nfs/dbraw/zinc/02/45/53/1070024553.db2.gz RQPBXKYOIPHIBJ-BDTNDASRSA-N 1 0 456.631 3.795 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001314270939 1070025115 /nfs/dbraw/zinc/02/51/15/1070025115.db2.gz BLPVKTKMSHGLBY-IRLDBZIGSA-N 1 0 490.693 3.882 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001314270940 1070025569 /nfs/dbraw/zinc/02/55/69/1070025569.db2.gz BLPVKTKMSHGLBY-RBBKRZOGSA-N 1 0 490.693 3.882 20 0 JHADRO COc1cc(C)c([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)cc1OC ZINC001307522354 1070031549 /nfs/dbraw/zinc/03/15/49/1070031549.db2.gz UJRGUCJZEKZGQG-QGZVFWFLSA-N 1 0 451.608 3.672 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314275211 1070032564 /nfs/dbraw/zinc/03/25/64/1070032564.db2.gz GOGONSKAOJGWGF-ZDXQCDESSA-N 1 0 455.647 3.568 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314276670 1070035185 /nfs/dbraw/zinc/03/51/85/1070035185.db2.gz RJRDZBVTJOWSDP-RPWUZVMVSA-N 1 0 455.647 3.539 20 0 JHADRO Cc1c(-c2cc(C[NH+]3CCC(C(=O)Nc4ccccc4Br)CC3)on2)cnn1C ZINC001307532311 1070039407 /nfs/dbraw/zinc/03/94/07/1070039407.db2.gz VEMQLUHFFYPDQB-UHFFFAOYSA-N 1 0 458.360 3.997 20 0 JHADRO CCOCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001314279824 1070041416 /nfs/dbraw/zinc/04/14/16/1070041416.db2.gz HPJSTASNGRICBQ-UHFFFAOYSA-N 1 0 479.467 3.783 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(-c3noc4c3COCC4)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001314277694 1070038454 /nfs/dbraw/zinc/03/84/54/1070038454.db2.gz POYDXURDEMTRDB-IBGZPJMESA-N 1 0 460.623 3.520 20 0 JHADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC001312619270 1070047341 /nfs/dbraw/zinc/04/73/41/1070047341.db2.gz QLSAAFNRWJQBIJ-BZSNNMDCSA-N 1 0 456.400 3.977 20 0 JHADRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](C[C@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)cc2NC1=O ZINC001307546832 1070045932 /nfs/dbraw/zinc/04/59/32/1070045932.db2.gz UFAXYWNQQREXBS-DLBZAZTESA-N 1 0 457.571 3.558 20 0 JHADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC001307546850 1070046259 /nfs/dbraw/zinc/04/62/59/1070046259.db2.gz ULEQHRHERZMIFG-GAJHUEQPSA-N 1 0 457.621 3.684 20 0 JHADRO O=C(C[NH2+]C1(c2cccc(Br)c2)CCC1)NCCc1cnn(-c2ccccc2)c1 ZINC001307554726 1070049021 /nfs/dbraw/zinc/04/90/21/1070049021.db2.gz BRVWCZHNYUYWLQ-UHFFFAOYSA-N 1 0 453.384 3.963 20 0 JHADRO C[C@H](CCc1ccc(I)cc1)NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001312628311 1070051623 /nfs/dbraw/zinc/05/16/23/1070051623.db2.gz DKAPUKNBUOHFGD-BEFAXECRSA-N 1 0 455.384 3.928 20 0 JHADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC001312630744 1070053558 /nfs/dbraw/zinc/05/35/58/1070053558.db2.gz XOSNGWHXPWLVET-GJYPPUQNSA-N 1 0 455.384 3.881 20 0 JHADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCCn2c(=O)[nH]c3ccccc32)C1 ZINC001307571377 1070057147 /nfs/dbraw/zinc/05/71/47/1070057147.db2.gz HKFKDDGLDVSLHB-HNNXBMFYSA-N 1 0 458.360 3.640 20 0 JHADRO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001307573729 1070060116 /nfs/dbraw/zinc/06/01/16/1070060116.db2.gz LYDXNWMOEWQUQF-KONPQCLYSA-N 1 0 452.521 3.716 20 0 JHADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cc(C(=O)OC)ccc2C)[C@H]2CCCC[C@@H]12 ZINC001307576646 1070061115 /nfs/dbraw/zinc/06/11/15/1070061115.db2.gz MRADGZOHLWOHRW-YJPCQTTLSA-N 1 0 457.615 3.904 20 0 JHADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC001312672097 1070074165 /nfs/dbraw/zinc/07/41/65/1070074165.db2.gz MKDVCSIUOUHFEU-RPWUZVMVSA-N 1 0 458.002 3.874 20 0 JHADRO CCOCc1ccccc1Cn1c(C(C)C)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001314295312 1070078492 /nfs/dbraw/zinc/07/84/92/1070078492.db2.gz JPDBNQAXCOXSMQ-XMMPIXPASA-N 1 0 454.663 3.591 20 0 JHADRO CCC[C@H]1CN([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001307607690 1070080306 /nfs/dbraw/zinc/08/03/06/1070080306.db2.gz MSCONHRZSNEYQZ-NVQXNPDNSA-N 1 0 450.627 3.837 20 0 JHADRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1cccc(I)c1 ZINC001307612260 1070081430 /nfs/dbraw/zinc/08/14/30/1070081430.db2.gz HZHDITKXACUSBV-DNVCBOLYSA-N 1 0 450.320 3.987 20 0 JHADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC001312684877 1070082062 /nfs/dbraw/zinc/08/20/62/1070082062.db2.gz KFOAXVMOOWAJAI-MOPGFXCFSA-N 1 0 451.409 3.580 20 0 JHADRO CCOCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC(F)(F)Br ZINC001314301330 1070084553 /nfs/dbraw/zinc/08/45/53/1070084553.db2.gz MTOPANOERCZRMW-INIZCTEOSA-N 1 0 458.351 3.513 20 0 JHADRO C[C@@H](Cc1cccc(O)c1)NC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001312689337 1070083480 /nfs/dbraw/zinc/08/34/80/1070083480.db2.gz CAZHBDQHCKVLEM-IBGZPJMESA-N 1 0 457.018 3.973 20 0 JHADRO CCOCc1nnc(N(C)CC2(c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314303080 1070088603 /nfs/dbraw/zinc/08/86/03/1070088603.db2.gz BHZFBDLTHPGCGT-SFTDATJTSA-N 1 0 455.647 3.870 20 0 JHADRO COc1ccccc1C[C@@H](C)N(C)C(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC001312715029 1070092241 /nfs/dbraw/zinc/09/22/41/1070092241.db2.gz FKFRHXKEUUJNKG-LJQANCHMSA-N 1 0 452.599 3.891 20 0 JHADRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC001307635404 1070092680 /nfs/dbraw/zinc/09/26/80/1070092680.db2.gz TTYXQEXIFHPFLK-ATIYNZHBSA-N 1 0 450.583 3.646 20 0 JHADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC001307637812 1070093560 /nfs/dbraw/zinc/09/35/60/1070093560.db2.gz UUDCYLFSAZWCDL-KRWDZBQOSA-N 1 0 458.868 3.948 20 0 JHADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001312738513 1070099074 /nfs/dbraw/zinc/09/90/74/1070099074.db2.gz BPYJRCZVANITMK-SFHVURJKSA-N 1 0 455.430 3.971 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CN(CC)c3ccccc3O2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314310018 1070098083 /nfs/dbraw/zinc/09/80/83/1070098083.db2.gz UXUWHXDMNWMSMZ-BHIFYINESA-N 1 0 470.662 3.659 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314312664 1070099546 /nfs/dbraw/zinc/09/95/46/1070099546.db2.gz STBFJGTUNWJDPZ-QQKQFIJSSA-N 1 0 473.687 3.856 20 0 JHADRO CCOCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314313770 1070100097 /nfs/dbraw/zinc/10/00/97/1070100097.db2.gz LSHNEDKUYUVIOM-UHFFFAOYSA-N 1 0 467.618 3.612 20 0 JHADRO CSc1ccc([C@H](CNC(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)[NH+](C)C)cc1 ZINC001312755508 1070105075 /nfs/dbraw/zinc/10/50/75/1070105075.db2.gz OUSAHKPALVULAC-QRWLVFNGSA-N 1 0 455.546 3.579 20 0 JHADRO CCN(Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307658354 1070107210 /nfs/dbraw/zinc/10/72/10/1070107210.db2.gz MUYNDLPHFZUTKF-FQEVSTJZSA-N 1 0 451.596 3.895 20 0 JHADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCCc4c(F)cc(F)cc43)cc2)CC1 ZINC001312792406 1070122530 /nfs/dbraw/zinc/12/25/30/1070122530.db2.gz ZKWJROTZEVSJSP-HSZRJFAPSA-N 1 0 456.537 3.539 20 0 JHADRO CCOCc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001314334502 1070128741 /nfs/dbraw/zinc/12/87/41/1070128741.db2.gz QAMSJXFORLTPPJ-JPYJTQIMSA-N 1 0 462.038 3.902 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001314334633 1070128800 /nfs/dbraw/zinc/12/88/00/1070128800.db2.gz OIMGTUUMYDJRGW-HSZRJFAPSA-N 1 0 454.663 3.505 20 0 JHADRO CCOCc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001314332832 1070127098 /nfs/dbraw/zinc/12/70/98/1070127098.db2.gz CHKOXNUSZMZJHC-SBUREZEXSA-N 1 0 462.038 3.901 20 0 JHADRO CCOCc1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314333071 1070127834 /nfs/dbraw/zinc/12/78/34/1070127834.db2.gz FTZWXKJYEMVTGU-HXUWFJFHSA-N 1 0 459.639 3.575 20 0 JHADRO CCOCc1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314333069 1070127895 /nfs/dbraw/zinc/12/78/95/1070127895.db2.gz FTZWXKJYEMVTGU-FQEVSTJZSA-N 1 0 459.639 3.575 20 0 JHADRO CC[C@](C)(O)C[N@H+](CC(=O)Nc1ccc(I)cc1)Cc1ccccc1 ZINC001307694232 1070130820 /nfs/dbraw/zinc/13/08/20/1070130820.db2.gz YUGOGNYGWQQJEL-FQEVSTJZSA-N 1 0 452.336 3.893 20 0 JHADRO CC[C@@H]([NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1)c1cc(F)cc(Br)c1 ZINC001307697555 1070133619 /nfs/dbraw/zinc/13/36/19/1070133619.db2.gz UTQWHZZPXIPJHX-ZWKOTPCHSA-N 1 0 450.308 3.507 20 0 JHADRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@H](C)C1 ZINC001307707745 1070136837 /nfs/dbraw/zinc/13/68/37/1070136837.db2.gz KDERTWXGCCLIJD-IFMALSPDSA-N 1 0 455.647 3.835 20 0 JHADRO O=C(C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307712736 1070139580 /nfs/dbraw/zinc/13/95/80/1070139580.db2.gz NAVOUGJAKRCVLX-RUZDIDTESA-N 1 0 455.986 3.942 20 0 JHADRO CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)C2)nc1C ZINC001312818605 1070140386 /nfs/dbraw/zinc/14/03/86/1070140386.db2.gz ZHQQMOHMGKXSJS-MISYRCLQSA-N 1 0 456.612 3.790 20 0 JHADRO CCOCc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1Cc1nccn1C(F)F ZINC001314343081 1070145870 /nfs/dbraw/zinc/14/58/70/1070145870.db2.gz SIPKOTCZEZYRQX-UHFFFAOYSA-N 1 0 451.566 3.547 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1ccc(OC(F)F)cc1 ZINC001314342507 1070144230 /nfs/dbraw/zinc/14/42/30/1070144230.db2.gz GSAKRRKHGRRDLL-KDURUIRLSA-N 1 0 493.599 3.790 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)C(C)(C)C ZINC001307718929 1070144359 /nfs/dbraw/zinc/14/43/59/1070144359.db2.gz FGCAUHRAXFIGLY-YTZAWJCFSA-N 1 0 455.640 3.932 20 0 JHADRO CCOCc1nnc(N2CCC(Cl)=C(Cl)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001314344338 1070148211 /nfs/dbraw/zinc/14/82/11/1070148211.db2.gz MNJICMMGJOYMGX-UHFFFAOYSA-N 1 0 454.402 3.703 20 0 JHADRO CCOCc1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001314344285 1070148223 /nfs/dbraw/zinc/14/82/23/1070148223.db2.gz UPGSEIZVXGLKDH-JYFHCDHNSA-N 1 0 455.647 3.857 20 0 JHADRO CCOCc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314344986 1070149835 /nfs/dbraw/zinc/14/98/35/1070149835.db2.gz DKIUJOMQUKEGLQ-UXHICEINSA-N 1 0 478.682 3.676 20 0 JHADRO CCOCc1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001314346636 1070152868 /nfs/dbraw/zinc/15/28/68/1070152868.db2.gz UHAQXDRPMYOLMA-QHCPKHFHSA-N 1 0 450.027 3.686 20 0 JHADRO C[C@@H]1CN(c2cccc(C[N@H+](C)C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)S(=O)(=O)C1 ZINC001307728702 1070153205 /nfs/dbraw/zinc/15/32/05/1070153205.db2.gz RWZFPFGNQMWSCT-QUCCMNQESA-N 1 0 451.633 3.551 20 0 JHADRO C[C@@H](NC(=O)CNC(=O)C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1)c1ccc(F)cc1 ZINC001307744591 1070162751 /nfs/dbraw/zinc/16/27/51/1070162751.db2.gz BZWJALUAUCQHHG-ZWKOTPCHSA-N 1 0 450.514 3.657 20 0 JHADRO CCOCc1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001314349343 1070163563 /nfs/dbraw/zinc/16/35/63/1070163563.db2.gz LFOIPVNLZBFZHH-UHFFFAOYSA-N 1 0 473.637 3.792 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC001312885679 1070167362 /nfs/dbraw/zinc/16/73/62/1070167362.db2.gz MHISHLPWSHNLAY-AOYPEHQESA-N 1 0 450.627 3.672 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC001312886805 1070167999 /nfs/dbraw/zinc/16/79/99/1070167999.db2.gz UGAFOOUMGUQJGH-KAOXLYBCSA-N 1 0 457.640 3.883 20 0 JHADRO CCOCc1nnc(N2CC[C@H](OCc3cccc(OC)c3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314353134 1070173086 /nfs/dbraw/zinc/17/30/86/1070173086.db2.gz VKDDIQDKFZQBGF-GOTSBHOMSA-N 1 0 471.646 3.739 20 0 JHADRO CCOCc1nnc(N2CCC(OCc3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314353203 1070173956 /nfs/dbraw/zinc/17/39/56/1070173956.db2.gz WGDRJYWMWCPSRF-VXKWHMMOSA-N 1 0 485.673 3.888 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(OC)cc3C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314353798 1070174654 /nfs/dbraw/zinc/17/46/54/1070174654.db2.gz CDSKLGFNMIQSFP-QFIPXVFZSA-N 1 0 457.619 3.515 20 0 JHADRO CCOCc1nnc(N2CCC=C(Br)C2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001314359962 1070183054 /nfs/dbraw/zinc/18/30/54/1070183054.db2.gz GLZBSVIKSZTGOD-UHFFFAOYSA-N 1 0 489.462 3.516 20 0 JHADRO C[N@@H+]1CCC[C@@]2(CCN(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)nc3)C2)C1 ZINC001307796450 1070186201 /nfs/dbraw/zinc/18/62/01/1070186201.db2.gz JZSVYWHHLXNWDC-JOCHJYFZSA-N 1 0 459.388 3.993 20 0 JHADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001312932789 1070186306 /nfs/dbraw/zinc/18/63/06/1070186306.db2.gz MTYZCJUUFIYZRO-PMACEKPBSA-N 1 0 455.521 3.681 20 0 JHADRO CC[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCOC(C)(C)C1 ZINC001307810587 1070194067 /nfs/dbraw/zinc/19/40/67/1070194067.db2.gz CYNZVPLKDJFOBM-SFHVURJKSA-N 1 0 453.539 3.886 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1Cc1nccc(C(F)F)n1 ZINC001314365264 1070194313 /nfs/dbraw/zinc/19/43/13/1070194313.db2.gz LIPIACAQFNJHDX-ZWKOTPCHSA-N 1 0 463.577 3.681 20 0 JHADRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001307814150 1070196068 /nfs/dbraw/zinc/19/60/68/1070196068.db2.gz UMAXXZRROWUITE-QHCPKHFHSA-N 1 0 453.583 3.648 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001314365915 1070196647 /nfs/dbraw/zinc/19/66/47/1070196647.db2.gz MXVODOXPDINVOK-GMAHTHKFSA-N 1 0 482.673 3.656 20 0 JHADRO CC(C)(C)OC(=O)NCCCCCC[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001307820156 1070199265 /nfs/dbraw/zinc/19/92/65/1070199265.db2.gz ZCGFUHUKKSTPJA-FQEVSTJZSA-N 1 0 454.656 3.699 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001314367081 1070200134 /nfs/dbraw/zinc/20/01/34/1070200134.db2.gz HBVAGMISNPOJGQ-SFTDATJTSA-N 1 0 478.682 3.915 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001314367079 1070200216 /nfs/dbraw/zinc/20/02/16/1070200216.db2.gz HBVAGMISNPOJGQ-NHCUHLMSSA-N 1 0 478.682 3.915 20 0 JHADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001307827392 1070202457 /nfs/dbraw/zinc/20/24/57/1070202457.db2.gz PMSRQSXPPCTJGX-HUUCEWRRSA-N 1 0 453.992 3.585 20 0 JHADRO Cc1ccc(NC(=O)CC[N@H+](Cc2ccccc2)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1F ZINC001307827183 1070202491 /nfs/dbraw/zinc/20/24/91/1070202491.db2.gz PBAMZCPYTPJUQU-DHIUTWEWSA-N 1 0 471.573 3.945 20 0 JHADRO O[C@@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1cc(Br)no1 ZINC001307831139 1070205154 /nfs/dbraw/zinc/20/51/54/1070205154.db2.gz SCCCMVLDFUOXGI-ZCNNSNEGSA-N 1 0 460.347 3.867 20 0 JHADRO CC[N@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)C1CC(C)(C)C1 ZINC001307836741 1070205813 /nfs/dbraw/zinc/20/58/13/1070205813.db2.gz MREPVBVMRNTKSZ-UHFFFAOYSA-N 1 0 451.633 3.709 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314370373 1070207458 /nfs/dbraw/zinc/20/74/58/1070207458.db2.gz WPHQXAAOUPDACP-GOTSBHOMSA-N 1 0 469.609 3.911 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001314372730 1070209689 /nfs/dbraw/zinc/20/96/89/1070209689.db2.gz ZNTAXBVPYDSHAO-IRLDBZIGSA-N 1 0 468.577 3.699 20 0 JHADRO COc1ccc([C@H](O)C[N@H+](CC(=O)N2C[C@H](C)OC(C)(C)C2)[C@H](C)Cc2ccccc2)cc1 ZINC001307845202 1070209932 /nfs/dbraw/zinc/20/99/32/1070209932.db2.gz RFODPGURAAVRDW-TYBLODHISA-N 1 0 454.611 3.688 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC001312988722 1070210928 /nfs/dbraw/zinc/21/09/28/1070210928.db2.gz QSYTUNXRELRXGV-VLSUOOLDSA-N 1 0 474.646 3.912 20 0 JHADRO CCOCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001314376013 1070215555 /nfs/dbraw/zinc/21/55/55/1070215555.db2.gz JNAPLQJODUPRCB-UHFFFAOYSA-N 1 0 481.544 3.504 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001307862762 1070215683 /nfs/dbraw/zinc/21/56/83/1070215683.db2.gz JHWJAESMPPGLRJ-QZTJIDSGSA-N 1 0 459.509 3.626 20 0 JHADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC001313007519 1070218621 /nfs/dbraw/zinc/21/86/21/1070218621.db2.gz GXMHHSWQOFTXRL-KRWDZBQOSA-N 1 0 452.397 3.571 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)C1(C)C ZINC001307888873 1070226782 /nfs/dbraw/zinc/22/67/82/1070226782.db2.gz YWVBKNADWSAGNZ-BRWVUGGUSA-N 1 0 452.393 3.836 20 0 JHADRO Cn1cc(C[C@H]2CCC[C@H]2NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cn1 ZINC001313033876 1070228400 /nfs/dbraw/zinc/22/84/00/1070228400.db2.gz QBRXXGPPVQGPDE-TZIWHRDSSA-N 1 0 451.537 3.924 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001314384648 1070229477 /nfs/dbraw/zinc/22/94/77/1070229477.db2.gz HJOFOWBHDCOVFL-HSZRJFAPSA-N 1 0 484.645 3.538 20 0 JHADRO Cc1cc(C2CCN(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC2)ccc1Br ZINC001313044703 1070233461 /nfs/dbraw/zinc/23/34/61/1070233461.db2.gz BCDKYWZXVALKLZ-HXUWFJFHSA-N 1 0 450.421 3.900 20 0 JHADRO O=C(N[C@H]1CCCCc2cc(Br)ccc21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001313044626 1070233553 /nfs/dbraw/zinc/23/35/53/1070233553.db2.gz JWKKMPCZVKBRFR-NRFANRHFSA-N 1 0 450.421 3.970 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314387491 1070235854 /nfs/dbraw/zinc/23/58/54/1070235854.db2.gz SYKSUPIFJSINCB-NHCUHLMSSA-N 1 0 470.662 3.603 20 0 JHADRO CC(C)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)CC2 ZINC001307912450 1070236971 /nfs/dbraw/zinc/23/69/71/1070236971.db2.gz WBUHVLJXBROWSH-UHFFFAOYSA-N 1 0 455.624 3.981 20 0 JHADRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001307918533 1070239956 /nfs/dbraw/zinc/23/99/56/1070239956.db2.gz KVAFPHKZWMNXMN-DUXKGJEZSA-N 1 0 455.603 3.747 20 0 JHADRO CCOCc1nnc(N2CCN(c3cccc(C)c3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001314392404 1070247086 /nfs/dbraw/zinc/24/70/86/1070247086.db2.gz XIHAJBGTKDXSAS-UHFFFAOYSA-N 1 0 454.663 3.962 20 0 JHADRO COC(=O)COc1ccc(CN(C)C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001313089421 1070247112 /nfs/dbraw/zinc/24/71/12/1070247112.db2.gz HKQHSBMWFQSGJD-UHFFFAOYSA-N 1 0 453.583 3.682 20 0 JHADRO COc1cc(OC)c(NC(=O)CC[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)cc1Cl ZINC001307931189 1070247829 /nfs/dbraw/zinc/24/78/29/1070247829.db2.gz XJSVWBIUDCRGMT-UHFFFAOYSA-N 1 0 453.967 3.675 20 0 JHADRO CCOCc1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001314390867 1070244749 /nfs/dbraw/zinc/24/47/49/1070244749.db2.gz AWHVTDFZJLWPOT-IBGZPJMESA-N 1 0 475.707 3.727 20 0 JHADRO O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)N[C@@H](CCO)c1ccccc1Br ZINC001313083401 1070244974 /nfs/dbraw/zinc/24/49/74/1070244974.db2.gz ACQKLXDDPNPDGW-NRFANRHFSA-N 1 0 455.356 3.933 20 0 JHADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCOc2c(Br)cccc2Br)C1 ZINC001307925877 1070245016 /nfs/dbraw/zinc/24/50/16/1070245016.db2.gz YHEYQKYLBLZUKK-IOASZLSFSA-N 1 0 451.199 3.746 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(OC)c(OCC)c1 ZINC001314391063 1070245485 /nfs/dbraw/zinc/24/54/85/1070245485.db2.gz QWZVDBBUNLIVDT-LJQANCHMSA-N 1 0 457.619 3.581 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H](OC)c1ccc(Cl)cc1 ZINC001314393926 1070251432 /nfs/dbraw/zinc/25/14/32/1070251432.db2.gz KDWXQMKXXRWOKC-PGRDOPGGSA-N 1 0 478.037 3.545 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](CC)Oc1ccccc1F ZINC001314394018 1070251471 /nfs/dbraw/zinc/25/14/71/1070251471.db2.gz LPJQVLCBNFLWOB-CTNGQTDRSA-N 1 0 475.609 3.501 20 0 JHADRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1cc(F)c(Br)cc1F ZINC001307941199 1070251738 /nfs/dbraw/zinc/25/17/38/1070251738.db2.gz NLCCYSMEZRYGTA-CQSZACIVSA-N 1 0 453.331 3.512 20 0 JHADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)NCc2ccccc2CC(F)(F)F)CC1 ZINC001313103666 1070252014 /nfs/dbraw/zinc/25/20/14/1070252014.db2.gz BHZAHXPADYAOGU-UHFFFAOYSA-N 1 0 458.525 3.580 20 0 JHADRO Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001313122941 1070258694 /nfs/dbraw/zinc/25/86/94/1070258694.db2.gz RGUDFLAYWAVZQF-YLJYHZDGSA-N 1 0 454.398 3.952 20 0 JHADRO C[NH+](C)C[C@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC001313124383 1070259365 /nfs/dbraw/zinc/25/93/65/1070259365.db2.gz NWBWKSRSTHXPQM-VPKVUBIPSA-N 1 0 472.413 3.596 20 0 JHADRO CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001314399795 1070260047 /nfs/dbraw/zinc/26/00/47/1070260047.db2.gz DRMVRYAQDLQYOB-NOZRDPDXSA-N 1 0 455.647 3.896 20 0 JHADRO CCN(CCOc1ccccc1OC)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001307964016 1070260880 /nfs/dbraw/zinc/26/08/80/1070260880.db2.gz VCZDCADBQCUPEC-UHFFFAOYSA-N 1 0 454.567 3.753 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NCC[C@@H]2CCCC[C@@H]2O)cc1 ZINC001313132533 1070263146 /nfs/dbraw/zinc/26/31/46/1070263146.db2.gz IAFHQGOXHMMDEM-MNPUUQGPSA-N 1 0 451.611 3.904 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)N2CCC[C@@H](OC(=O)N(C)C)C2)cc1 ZINC001313132130 1070261999 /nfs/dbraw/zinc/26/19/99/1070261999.db2.gz FDMMVMVSJYSONP-DSNGMDLFSA-N 1 0 480.609 3.535 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC001313132110 1070262333 /nfs/dbraw/zinc/26/23/33/1070262333.db2.gz DGBYKYYMKOEURM-DOEKTCAHSA-N 1 0 477.580 3.705 20 0 JHADRO CC(C)(C)OC(=O)C1CCC(O)(C[N@@H+]2C[C@@]3(C)CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)CC1 ZINC001307971958 1070264311 /nfs/dbraw/zinc/26/43/11/1070264311.db2.gz GDSARAVUMWKFGJ-VJMWJIOOSA-N 1 0 452.636 3.828 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CCC[N@H+](C)C(C)C ZINC001314402790 1070264426 /nfs/dbraw/zinc/26/44/26/1070264426.db2.gz GUIWZHINFXUSGG-GOSISDBHSA-N 1 0 464.680 3.877 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001314403915 1070266789 /nfs/dbraw/zinc/26/67/89/1070266789.db2.gz OKXUJWJAYZVEKV-FPOVZHCZSA-N 1 0 470.643 3.678 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H](OCC2CC[NH+](C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)C1 ZINC001307979189 1070268003 /nfs/dbraw/zinc/26/80/03/1070268003.db2.gz CHEWUGGKFPHOIP-YADHBBJMSA-N 1 0 459.587 3.750 20 0 JHADRO CC(C)(C)OC(=O)N(CCO)C1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC001307991321 1070272181 /nfs/dbraw/zinc/27/21/81/1070272181.db2.gz YADWRXRBRNEKLA-UHFFFAOYSA-N 1 0 450.967 3.626 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1CC[NH+]1CCC(C)CC1 ZINC001314409908 1070275037 /nfs/dbraw/zinc/27/50/37/1070275037.db2.gz USSJIVQHHYQZQH-KRWDZBQOSA-N 1 0 454.040 3.839 20 0 JHADRO CCOC(=O)c1c(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)sc2c1CCC2 ZINC001308003008 1070275849 /nfs/dbraw/zinc/27/58/49/1070275849.db2.gz NDSMMHFZNNBSBG-UZLBHIALSA-N 1 0 450.507 3.750 20 0 JHADRO Cc1ccc(CN2CCO[C@@H](CNC(=O)NC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001313169278 1070278317 /nfs/dbraw/zinc/27/83/17/1070278317.db2.gz JLJCXSJNTSQVJL-UIOOFZCWSA-N 1 0 450.627 3.550 20 0 JHADRO Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)NC4CCC(C)([NH+](C)C)CC4)CC3)n2)cc1 ZINC001313180326 1070284451 /nfs/dbraw/zinc/28/44/51/1070284451.db2.gz PMPNQKHTEPNZQA-LGQZFRORSA-N 1 0 454.619 3.696 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC001314420845 1070293001 /nfs/dbraw/zinc/29/30/01/1070293001.db2.gz XIBSJGLIUUBUPR-JOCHJYFZSA-N 1 0 482.673 3.703 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001314421886 1070295587 /nfs/dbraw/zinc/29/55/87/1070295587.db2.gz QSZYDKHLNCOTIE-VXKWHMMOSA-N 1 0 471.646 3.708 20 0 JHADRO Cc1ccc(OC2CCN(C(=O)NCCC3(O)CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001313215915 1070295625 /nfs/dbraw/zinc/29/56/25/1070295625.db2.gz IXDXFBRQNFOTJP-UHFFFAOYSA-N 1 0 451.611 3.965 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001314422011 1070295761 /nfs/dbraw/zinc/29/57/61/1070295761.db2.gz VXXVRFIENCCLCS-WOJBJXKFSA-N 1 0 462.038 3.698 20 0 JHADRO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001308077804 1070304543 /nfs/dbraw/zinc/30/45/43/1070304543.db2.gz LHKHMCUJQVFAFK-FVQBIDKESA-N 1 0 453.605 3.653 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CC=CCC2)C1 ZINC001314427216 1070306475 /nfs/dbraw/zinc/30/64/75/1070306475.db2.gz VGFREQLQMVJLFJ-HSZRJFAPSA-N 1 0 453.631 3.989 20 0 JHADRO CC[C@H]([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1cc(F)ccc1OC ZINC001308089795 1070308671 /nfs/dbraw/zinc/30/86/71/1070308671.db2.gz IWVBDGLZNVPGJY-SFHVURJKSA-N 1 0 455.361 3.926 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314433849 1070318679 /nfs/dbraw/zinc/31/86/79/1070318679.db2.gz AAIOZNKHUGMFNP-RTWAWAEBSA-N 1 0 492.709 3.843 20 0 JHADRO COc1ccc(C[C@](C)(CO)[NH2+]CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC001308117725 1070319307 /nfs/dbraw/zinc/31/93/07/1070319307.db2.gz LLUUKMLUWOKCFJ-HSZRJFAPSA-N 1 0 450.501 3.788 20 0 JHADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001313292691 1070319340 /nfs/dbraw/zinc/31/93/40/1070319340.db2.gz YUGRWYHIDMCGIR-IBGZPJMESA-N 1 0 454.562 3.652 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+](C)C2CCCC2)C1 ZINC001314434244 1070320060 /nfs/dbraw/zinc/32/00/60/1070320060.db2.gz LCRZABWYLITNHM-QGZVFWFLSA-N 1 0 479.467 3.783 20 0 JHADRO COc1cc2c(cc1NC(=O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)oc1ccccc12 ZINC001308118166 1070320291 /nfs/dbraw/zinc/32/02/91/1070320291.db2.gz AXRUPFIKYJZBIA-AWEZNQCLSA-N 1 0 453.520 3.531 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314435964 1070322814 /nfs/dbraw/zinc/32/28/14/1070322814.db2.gz JFCUMFXVQNCZIO-XPWALMASSA-N 1 0 469.674 3.928 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001314436741 1070324438 /nfs/dbraw/zinc/32/44/38/1070324438.db2.gz PMGOATUAWYDPBO-JAXLGGSGSA-N 1 0 476.065 3.884 20 0 JHADRO Cc1cccnc1[C@H]([NH2+]CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(C)(C)C ZINC001308145880 1070328663 /nfs/dbraw/zinc/32/86/63/1070328663.db2.gz VAKZCMFFRDXSIE-QHCPKHFHSA-N 1 0 458.628 3.880 20 0 JHADRO C[N@H+](CCc1nccc(C(F)(F)F)n1)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O ZINC001308140487 1070326198 /nfs/dbraw/zinc/32/61/98/1070326198.db2.gz HGHBKLPEMPONPL-APWZRJJASA-N 1 0 452.477 3.827 20 0 JHADRO Cc1c(Cl)cccc1N1CC[NH+](C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001308141968 1070326759 /nfs/dbraw/zinc/32/67/59/1070326759.db2.gz MKZLEOFILWYOTE-VWLOTQADSA-N 1 0 458.002 3.934 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001314440682 1070329024 /nfs/dbraw/zinc/32/90/24/1070329024.db2.gz ADXDIDXZOKVYFQ-NRFANRHFSA-N 1 0 473.687 3.856 20 0 JHADRO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)[C@@H]1C ZINC001308156423 1070331470 /nfs/dbraw/zinc/33/14/70/1070331470.db2.gz OFLXUDREOQKDSV-ZVVFGRKBSA-N 1 0 458.599 3.641 20 0 JHADRO CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308158910 1070332776 /nfs/dbraw/zinc/33/27/76/1070332776.db2.gz ULSFWDPVRYVHPK-UHFFFAOYSA-N 1 0 459.566 3.980 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001308256377 1070347143 /nfs/dbraw/zinc/34/71/43/1070347143.db2.gz MVMQQQJSXGPOMJ-PMACEKPBSA-N 1 0 451.633 3.513 20 0 JHADRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]Cc3ccc(N4CCCC4)nc3)c2)cc1 ZINC001308267612 1070348626 /nfs/dbraw/zinc/34/86/26/1070348626.db2.gz FGJXFHPBUGNXAF-UHFFFAOYSA-N 1 0 452.580 3.781 20 0 JHADRO COc1c(Br)cc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1Br ZINC001308277394 1070349692 /nfs/dbraw/zinc/34/96/92/1070349692.db2.gz MKPBFUQWTDWEOQ-VXGBXAGGSA-N 1 0 455.212 3.666 20 0 JHADRO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1 ZINC001308281058 1070351829 /nfs/dbraw/zinc/35/18/29/1070351829.db2.gz GGMOXSRINALOBO-NRFANRHFSA-N 1 0 454.018 3.916 20 0 JHADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001313414990 1070352317 /nfs/dbraw/zinc/35/23/17/1070352317.db2.gz LAENWMYUFZMCAO-PKTZIBPZSA-N 1 0 458.647 3.982 20 0 JHADRO CC[NH+](CC)CC[C@H](NC(=O)N1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1)c1ccccc1 ZINC001313416047 1070352823 /nfs/dbraw/zinc/35/28/23/1070352823.db2.gz QBBCZWHDUKOTQL-HJOGWXRNSA-N 1 0 451.615 3.674 20 0 JHADRO CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC001308312045 1070355133 /nfs/dbraw/zinc/35/51/33/1070355133.db2.gz XIDLTAKHSNGVKU-UHFFFAOYSA-N 1 0 456.427 3.906 20 0 JHADRO C[NH+]1CCN(c2ccc(CCNC(=O)N3CCC(OCc4ccccc4F)CC3)cc2)CC1 ZINC001313433530 1070359082 /nfs/dbraw/zinc/35/90/82/1070359082.db2.gz RKIFNYXYRPMZII-UHFFFAOYSA-N 1 0 454.590 3.511 20 0 JHADRO CC(C)(C)CC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC001308321112 1070355776 /nfs/dbraw/zinc/35/57/76/1070355776.db2.gz PLDHHZRLZBQSRF-UHFFFAOYSA-N 1 0 452.437 3.803 20 0 JHADRO COc1ccc(OCc2nc(CNc3cccc(C[N@@H+]4CCC[C@H]4C(N)=O)c3)cs2)cc1 ZINC001308325085 1070356214 /nfs/dbraw/zinc/35/62/14/1070356214.db2.gz UCNLQDBZBCAXOW-QFIPXVFZSA-N 1 0 452.580 3.793 20 0 JHADRO Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N(C)C ZINC001308372751 1070362874 /nfs/dbraw/zinc/36/28/74/1070362874.db2.gz BKCNQYLXZWUTIG-VIZSFHNOSA-N 1 0 456.635 3.940 20 0 JHADRO CCOCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001314458580 1070360422 /nfs/dbraw/zinc/36/04/22/1070360422.db2.gz DTOLGIHNOATMJF-HXUWFJFHSA-N 1 0 461.054 3.630 20 0 JHADRO CCCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[NH+]2CCCCCC2)CC1=O ZINC001313446266 1070361589 /nfs/dbraw/zinc/36/15/89/1070361589.db2.gz IXKTWHBZAFLSOP-UHFFFAOYSA-N 1 0 482.673 3.799 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]CCCNC(=O)/C=C/c1ccccc1)CCO2 ZINC001308382177 1070364685 /nfs/dbraw/zinc/36/46/85/1070364685.db2.gz WRMYCZMQFIGQIB-NELJVSICSA-N 1 0 457.615 3.744 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]CCCNC(=O)/C=C\c1ccccc1)CCO2 ZINC001308382176 1070364743 /nfs/dbraw/zinc/36/47/43/1070364743.db2.gz WRMYCZMQFIGQIB-GMAFFVFYSA-N 1 0 457.615 3.744 20 0 JHADRO 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CCOCCN(C)c1nnc(-c2ccccc2Br)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001314468903 1070379817 /nfs/dbraw/zinc/37/98/17/1070379817.db2.gz HCNJHSPZPODHRP-UHFFFAOYSA-N 1 0 492.462 3.825 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C(N)=O)CC1 ZINC001313451756 1070379984 /nfs/dbraw/zinc/37/99/84/1070379984.db2.gz ACAKPMKWPHKPPS-QFIPXVFZSA-N 1 0 482.673 3.865 20 0 JHADRO CCOCCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314469068 1070379922 /nfs/dbraw/zinc/37/99/22/1070379922.db2.gz SLYQBNBXHBUTAP-HXUWFJFHSA-N 1 0 495.672 3.658 20 0 JHADRO CCOCCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001314474650 1070385738 /nfs/dbraw/zinc/38/57/38/1070385738.db2.gz ISEARQZSZQLVQI-FGZHOGPDSA-N 1 0 492.709 3.987 20 0 JHADRO CCOCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314472178 1070382867 /nfs/dbraw/zinc/38/28/67/1070382867.db2.gz KGYLDXRMTBUWIT-OALUTQOASA-N 1 0 476.622 3.719 20 0 JHADRO 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CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2CC(=O)N(C)C2CCCCC2)C[C@H]1CC ZINC001314495529 1070413654 /nfs/dbraw/zinc/41/36/54/1070413654.db2.gz IGRNIIQUHHLSCD-HSZRJFAPSA-N 1 0 496.700 3.982 20 0 JHADRO CCCn1nc(-c2nnc(N3CCCC3)n2CC[N@H+](CC)CCC(F)(F)F)c2ccccc2c1=O ZINC001313461042 1070414322 /nfs/dbraw/zinc/41/43/22/1070414322.db2.gz QLZXWELPUYYDCS-UHFFFAOYSA-N 1 0 491.562 3.940 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(C)(C)O)c2)C[C@H]1CC ZINC001314495803 1070415516 /nfs/dbraw/zinc/41/55/16/1070415516.db2.gz KEZWNMMYYSWDHW-HSZRJFAPSA-N 1 0 478.641 3.553 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CCc2cccc(F)c2F)C[C@@H]1CC ZINC001314496158 1070416370 /nfs/dbraw/zinc/41/63/70/1070416370.db2.gz OLKJUZPIBFBBOQ-IBGZPJMESA-N 1 0 458.557 3.731 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C)n2Cc2cccnc2Oc2cccc(F)c2)C[C@H]1CC ZINC001314496371 1070417211 /nfs/dbraw/zinc/41/72/11/1070417211.db2.gz JMKFSUSAVCRMAG-JOCHJYFZSA-N 1 0 468.577 3.898 20 0 JHADRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1)CC2 ZINC001308696670 1070421233 /nfs/dbraw/zinc/42/12/33/1070421233.db2.gz QQKHDCAXCQZTBN-GOEBONIOSA-N 1 0 451.384 3.706 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCO[C@H](C)C2)C[C@H]1CC ZINC001314499436 1070427287 /nfs/dbraw/zinc/42/72/87/1070427287.db2.gz KHTNBRZVXQLJEP-VDKIKQQVSA-N 1 0 469.674 3.930 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)c2ccccc2F)C[C@@H]1CC ZINC001314500505 1070430692 /nfs/dbraw/zinc/43/06/92/1070430692.db2.gz IPIZPJMNOYVWAE-RTWAWAEBSA-N 1 0 473.637 3.836 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2CC2)C[C@H]1CC ZINC001314501619 1070433919 /nfs/dbraw/zinc/43/39/19/1070433919.db2.gz QPWHQWJPPAWHJS-JOCHJYFZSA-N 1 0 490.693 3.740 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCC(F)(F)C2)C[C@H]1CC ZINC001314501904 1070436019 /nfs/dbraw/zinc/43/60/19/1070436019.db2.gz SUCMBBSBSQPOBD-NJDAHSKKSA-N 1 0 469.621 3.935 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001313466772 1070440561 /nfs/dbraw/zinc/44/05/61/1070440561.db2.gz UHOLVRCPHMDDOS-PKTZIBPZSA-N 1 0 484.664 3.871 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2CC[N@H+](C)[C@H](C)CC)C1 ZINC001313466827 1070440661 /nfs/dbraw/zinc/44/06/61/1070440661.db2.gz NJIRPZRZUTVVAU-IFMALSPDSA-N 1 0 477.657 3.966 20 0 JHADRO CCOCCOc1cc(C)ccc1Cn1c(CC(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001314503877 1070441945 /nfs/dbraw/zinc/44/19/45/1070441945.db2.gz WOYCRBLAGDRPFB-GMAHTHKFSA-N 1 0 455.647 3.922 20 0 JHADRO Cc1ccc(Br)c(C[NH2+]C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)c1 ZINC001308822892 1070443628 /nfs/dbraw/zinc/44/36/28/1070443628.db2.gz MXXLNFYIJSLUQM-MRXNPFEDSA-N 1 0 454.409 3.610 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC[N@H+](C)C(C)C)CC1 ZINC001314504941 1070446096 /nfs/dbraw/zinc/44/60/96/1070446096.db2.gz MFBLPBAGMYCRIL-UHFFFAOYSA-N 1 0 498.093 3.741 20 0 JHADRO COc1cc(C[NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c(Br)cc1O ZINC001308852465 1070449231 /nfs/dbraw/zinc/44/92/31/1070449231.db2.gz VKGFYPRNWHCPNY-LBPRGKRZSA-N 1 0 451.308 3.898 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](CC)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001313468710 1070449458 /nfs/dbraw/zinc/44/94/58/1070449458.db2.gz OYCMIDVVUZEZPB-DEOSSOPVSA-N 1 0 466.674 3.981 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001313468689 1070449479 /nfs/dbraw/zinc/44/94/79/1070449479.db2.gz OSMCSFDPUSFENE-NRFANRHFSA-N 1 0 452.647 3.592 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001313469572 1070453026 /nfs/dbraw/zinc/45/30/26/1070453026.db2.gz XGWOQBGHITUSJT-NHCUHLMSSA-N 1 0 482.673 3.817 20 0 JHADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC001308877331 1070453551 /nfs/dbraw/zinc/45/35/51/1070453551.db2.gz QAJWJXZDVYZSGB-OAQYLSRUSA-N 1 0 456.370 3.623 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3cnc4nc(C)cc(C)n34)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308905915 1070457290 /nfs/dbraw/zinc/45/72/90/1070457290.db2.gz BTIHSSXXHWCCPD-FCHUYYIVSA-N 1 0 451.571 3.847 20 0 JHADRO CC(C)(C)OC(=O)CN1CCCC[C@@H]([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1=O ZINC001308908927 1070458322 /nfs/dbraw/zinc/45/83/22/1070458322.db2.gz ALMVHTARUFKJOV-MRXNPFEDSA-N 1 0 453.605 3.908 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(C[C@@H](C[NH2+]Cc3cc(Cl)cc(Cl)c3N)OC2=O)CC1 ZINC001308946523 1070464639 /nfs/dbraw/zinc/46/46/39/1070464639.db2.gz PHTHQEUQLNLBPB-HNNXBMFYSA-N 1 0 458.386 3.998 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313472202 1070465744 /nfs/dbraw/zinc/46/57/44/1070465744.db2.gz JNWHXFFCNWZGEQ-GOTSBHOMSA-N 1 0 480.701 3.926 20 0 JHADRO C[C@@H](C[NH+]1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001308936413 1070462206 /nfs/dbraw/zinc/46/22/06/1070462206.db2.gz WGBKHNXAZJSWHM-INIZCTEOSA-N 1 0 458.559 3.732 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(C(=O)N3CCCC3)cc1)CC2 ZINC001308961770 1070467110 /nfs/dbraw/zinc/46/71/10/1070467110.db2.gz ABMDNEISKSYPCO-QFIPXVFZSA-N 1 0 457.615 3.818 20 0 JHADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[C@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)CCC1 ZINC001308939065 1070462944 /nfs/dbraw/zinc/46/29/44/1070462944.db2.gz SMCFJWXKTVMFHM-OTWHNJEPSA-N 1 0 457.681 3.785 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001313471598 1070463543 /nfs/dbraw/zinc/46/35/43/1070463543.db2.gz BKVHEKUTTKLKQQ-QFIPXVFZSA-N 1 0 458.695 3.874 20 0 JHADRO COC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1Br ZINC001308943529 1070463837 /nfs/dbraw/zinc/46/38/37/1070463837.db2.gz ODZSRSFVIWNYIJ-PKOBYXMFSA-N 1 0 453.283 3.576 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314509936 1070464472 /nfs/dbraw/zinc/46/44/72/1070464472.db2.gz JAYGIPDHHRQNRT-FQEVSTJZSA-N 1 0 488.702 3.564 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314511051 1070468646 /nfs/dbraw/zinc/46/86/46/1070468646.db2.gz GBLQTBVWBVPOFU-HXUWFJFHSA-N 1 0 479.735 3.925 20 0 JHADRO COC(=O)C[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001308969261 1070468687 /nfs/dbraw/zinc/46/86/87/1070468687.db2.gz PHXMDDYQASIWHS-FQEVSTJZSA-N 1 0 457.571 3.601 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001313473258 1070469971 /nfs/dbraw/zinc/46/99/71/1070469971.db2.gz XZJRCHDDPNMSRM-XMMPIXPASA-N 1 0 466.674 3.680 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001313473633 1070470718 /nfs/dbraw/zinc/47/07/18/1070470718.db2.gz USGKWBAYICDKED-QHCPKHFHSA-N 1 0 474.694 3.774 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[NH+]1CCC(C)CC1 ZINC001314513523 1070479320 /nfs/dbraw/zinc/47/93/20/1070479320.db2.gz SLDONLFVUWGLLS-QGZVFWFLSA-N 1 0 486.057 3.729 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314515275 1070485417 /nfs/dbraw/zinc/48/54/17/1070485417.db2.gz FHPDINHXSDDENM-SFTDATJTSA-N 1 0 498.697 3.873 20 0 JHADRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC1 ZINC001309037178 1070500266 /nfs/dbraw/zinc/50/02/66/1070500266.db2.gz NXELAQDALOBPIV-UHFFFAOYSA-N 1 0 452.374 3.809 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314519412 1070501707 /nfs/dbraw/zinc/50/17/07/1070501707.db2.gz VRBYJUATMCGMGY-GOSISDBHSA-N 1 0 465.639 3.608 20 0 JHADRO CCCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001313487931 1070505432 /nfs/dbraw/zinc/50/54/32/1070505432.db2.gz PMXBCJCGSKAIOF-NYLDSWQDSA-N 1 0 486.636 3.784 20 0 JHADRO CCOc1ccc(S(=O)(=O)NCc2ccccc2CN2CC[NH+](CC)CC2)cc1C(C)C ZINC001309053513 1070510253 /nfs/dbraw/zinc/51/02/53/1070510253.db2.gz PEIHVHGLRIPVSB-UHFFFAOYSA-N 1 0 459.656 3.825 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001313493148 1070514283 /nfs/dbraw/zinc/51/42/83/1070514283.db2.gz QAADAYCVZMIVSB-NRFANRHFSA-N 1 0 468.646 3.572 20 0 JHADRO CCCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313498365 1070519097 /nfs/dbraw/zinc/51/90/97/1070519097.db2.gz XRRNFPFGUSULBP-LJQANCHMSA-N 1 0 487.718 3.641 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001313501210 1070523952 /nfs/dbraw/zinc/52/39/52/1070523952.db2.gz COFHRCMYTXOACE-LEWJYISDSA-N 1 0 498.672 3.530 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CC(C)(C)C(=O)NCC)cc1OC ZINC001313502017 1070527382 /nfs/dbraw/zinc/52/73/82/1070527382.db2.gz IKBMCBLRAYIFNO-FPOVZHCZSA-N 1 0 498.672 3.578 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001313502074 1070527414 /nfs/dbraw/zinc/52/74/14/1070527414.db2.gz JACRUJDNNNESGI-NIYFSFCBSA-N 1 0 471.646 3.682 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2CCc2ccncc2)cc1OC ZINC001313502743 1070530305 /nfs/dbraw/zinc/53/03/05/1070530305.db2.gz DXTZSARHUKUMNF-HXUWFJFHSA-N 1 0 464.614 3.911 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001313503486 1070533590 /nfs/dbraw/zinc/53/35/90/1070533590.db2.gz IIJGYIJKNIMOJY-FQEVSTJZSA-N 1 0 498.672 3.579 20 0 JHADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cccc3c2OCO3)CC1 ZINC001309089793 1070532995 /nfs/dbraw/zinc/53/29/95/1070532995.db2.gz GFZXMVOIQDZHMX-UHFFFAOYSA-N 1 0 456.486 3.719 20 0 JHADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001309089514 1070533171 /nfs/dbraw/zinc/53/31/71/1070533171.db2.gz CJAFOYXNWRWKNN-AWEZNQCLSA-N 1 0 455.379 3.561 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCC(=O)NC(C)(C)C)cc1OC ZINC001313505143 1070541564 /nfs/dbraw/zinc/54/15/64/1070541564.db2.gz XIFDNMBHURXPKO-FPOVZHCZSA-N 1 0 498.672 3.720 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[C@@H]3C)n2C[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC001313505576 1070544531 /nfs/dbraw/zinc/54/45/31/1070544531.db2.gz JSVRWNTYKIESKA-PMACEKPBSA-N 1 0 457.619 3.700 20 0 JHADRO O=S(=O)(CCc1ccccc1Br)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001309112219 1070545371 /nfs/dbraw/zinc/54/53/71/1070545371.db2.gz FCDLCVLTQXQKOP-IBGZPJMESA-N 1 0 451.430 3.823 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCC[NH+]2CCCCC2)cc1OC ZINC001313506231 1070546907 /nfs/dbraw/zinc/54/69/07/1070546907.db2.gz WHUZCQPSOJTYPR-FQEVSTJZSA-N 1 0 457.619 3.844 20 0 JHADRO CC[S@@](=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001314557255 1070559546 /nfs/dbraw/zinc/55/95/46/1070559546.db2.gz FCKYYKQICZAVEP-DUTUXMCTSA-N 1 0 479.666 3.884 20 0 JHADRO CC[S@@](=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001314560755 1070562280 /nfs/dbraw/zinc/56/22/80/1070562280.db2.gz UUWUJGMORAGNPC-ZUQCGGBESA-N 1 0 480.078 3.905 20 0 JHADRO COc1cc(C)c(Br)cc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC001309152877 1070571722 /nfs/dbraw/zinc/57/17/22/1070571722.db2.gz ANXNWQYIAXCABW-UHFFFAOYSA-N 1 0 455.418 3.827 20 0 JHADRO CC[S@](=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001314564841 1070568552 /nfs/dbraw/zinc/56/85/52/1070568552.db2.gz VCRBRPYISBTBNN-LJAQVGFWSA-N 1 0 458.459 3.799 20 0 JHADRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1)c1ccccc1 ZINC001309154546 1070572742 /nfs/dbraw/zinc/57/27/42/1070572742.db2.gz QJLZPPJNMUSPBM-ROUUACIJSA-N 1 0 450.576 3.649 20 0 JHADRO CC[S@](=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314565192 1070570314 /nfs/dbraw/zinc/57/03/14/1070570314.db2.gz ZWFUKPKFXVDJKD-MNAQKMTRSA-N 1 0 455.628 3.716 20 0 JHADRO CC[S@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001314569239 1070575091 /nfs/dbraw/zinc/57/50/91/1070575091.db2.gz NLQREWPKFAAPPW-VOJVNWEFSA-N 1 0 479.641 3.616 20 0 JHADRO CC[S@](=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314571101 1070577079 /nfs/dbraw/zinc/57/70/79/1070577079.db2.gz KUZHEVROWXIBFF-KATKFWMUSA-N 1 0 466.655 3.518 20 0 JHADRO CC[S@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314573377 1070579859 /nfs/dbraw/zinc/57/98/59/1070579859.db2.gz ULQQICFUMNRZLS-XIFFEERXSA-N 1 0 487.073 3.863 20 0 JHADRO CCCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001313517748 1070580419 /nfs/dbraw/zinc/58/04/19/1070580419.db2.gz RCGYHKAFKGVXRX-GMAHTHKFSA-N 1 0 471.646 3.760 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001313523170 1070594041 /nfs/dbraw/zinc/59/40/41/1070594041.db2.gz NCEQWGREYZRJHH-SFTDATJTSA-N 1 0 488.702 3.930 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001313529357 1070609618 /nfs/dbraw/zinc/60/96/18/1070609618.db2.gz RPRAUVFTGKXSAS-VJBWXMMDSA-N 1 0 468.646 3.626 20 0 JHADRO CCC(O)(CC)CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309220717 1070620482 /nfs/dbraw/zinc/62/04/82/1070620482.db2.gz VNCQXFFSXFALQI-FCHUYYIVSA-N 1 0 451.032 3.779 20 0 JHADRO CCC[C@@H]1C[C@H]1n1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001313539714 1070632724 /nfs/dbraw/zinc/63/27/24/1070632724.db2.gz IHRHZWDFNCCTCU-DHIUTWEWSA-N 1 0 452.647 3.529 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(-c3cnccn3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC001314596761 1070639215 /nfs/dbraw/zinc/63/92/15/1070639215.db2.gz QRGYOKQEGZFEKI-GMAHTHKFSA-N 1 0 487.718 3.984 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314597211 1070640435 /nfs/dbraw/zinc/64/04/35/1070640435.db2.gz QLFMKGKWGKLQDH-FCMAGTKHSA-N 1 0 462.708 3.708 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001314597282 1070641191 /nfs/dbraw/zinc/64/11/91/1070641191.db2.gz ULHFFTIERRKVIT-YADHBBJMSA-N 1 0 472.703 3.997 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313547240 1070659054 /nfs/dbraw/zinc/65/90/54/1070659054.db2.gz VZCZTMMJZLDDFR-NHCUHLMSSA-N 1 0 478.682 3.738 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(C)nnc2N2CCC(NC(=O)c3cc(C)oc3C)CC2)c1 ZINC001313572311 1070686752 /nfs/dbraw/zinc/68/67/52/1070686752.db2.gz KZOAJIQLVJMFPQ-UHFFFAOYSA-N 1 0 464.614 3.695 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2cc(C)on2)c1 ZINC001313573265 1070687660 /nfs/dbraw/zinc/68/76/60/1070687660.db2.gz DNSIDOIPVJKMOV-UHFFFAOYSA-N 1 0 462.602 3.573 20 0 JHADRO CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C)C1CCCC1 ZINC001313573492 1070688043 /nfs/dbraw/zinc/68/80/43/1070688043.db2.gz SUGSQVSQEFZXCV-JOCHJYFZSA-N 1 0 454.619 3.595 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC001313570082 1070683863 /nfs/dbraw/zinc/68/38/63/1070683863.db2.gz XNSMCWWHKDEQLB-AUSIDOKSSA-N 1 0 496.681 3.944 20 0 JHADRO CCSCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001314614786 1070684411 /nfs/dbraw/zinc/68/44/11/1070684411.db2.gz QLOOVZGJOOFFLQ-FQEVSTJZSA-N 1 0 459.660 3.646 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCSC[C@@H]2C)c1 ZINC001313575816 1070691167 /nfs/dbraw/zinc/69/11/67/1070691167.db2.gz SKYCWQUNHJEWTC-SFHVURJKSA-N 1 0 484.695 3.711 20 0 JHADRO CSc1ccc(Oc2ccc(S(=O)(=O)NCC3(O)CC[NH+](C(C)C)CC3)cc2)cc1 ZINC001309313278 1070691719 /nfs/dbraw/zinc/69/17/19/1070691719.db2.gz UPPHQNWFJFTHHL-UHFFFAOYSA-N 1 0 450.626 3.714 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC001313576659 1070693363 /nfs/dbraw/zinc/69/33/63/1070693363.db2.gz ZITYBYYCSANAEU-QHCPKHFHSA-N 1 0 482.673 3.714 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001313576664 1070693420 /nfs/dbraw/zinc/69/34/20/1070693420.db2.gz ZLEFGFZOWYOZFS-HDICACEKSA-N 1 0 454.644 3.747 20 0 JHADRO C[C@@H]1C[C@@H](CCNS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)C[N@@H+]1Cc1ccccc1 ZINC001309320795 1070696683 /nfs/dbraw/zinc/69/66/83/1070696683.db2.gz CMVMRSZLQFNLJA-UYAOXDASSA-N 1 0 455.624 3.885 20 0 JHADRO CN(C(=O)[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001314621607 1070701249 /nfs/dbraw/zinc/70/12/49/1070701249.db2.gz RZUUBVJWJMFILR-OAQYLSRUSA-N 1 0 452.647 3.842 20 0 JHADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)CC1 ZINC001309325007 1070700219 /nfs/dbraw/zinc/70/02/19/1070700219.db2.gz CHKXSWSEKVYGBP-UHFFFAOYSA-N 1 0 451.658 3.878 20 0 JHADRO CCN(c1nnc(-c2ccc(Br)s2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC001313586582 1070711468 /nfs/dbraw/zinc/71/14/68/1070711468.db2.gz XLMCSGGLQMSYLP-INIZCTEOSA-N 1 0 495.491 3.701 20 0 JHADRO CCN(c1nnc(-c2cccc(Cl)c2)n1CCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001313583673 1070706505 /nfs/dbraw/zinc/70/65/05/1070706505.db2.gz INBVLBDHCDXISY-NQIIRXRSSA-N 1 0 480.078 3.876 20 0 JHADRO CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC001313583841 1070707336 /nfs/dbraw/zinc/70/73/36/1070707336.db2.gz WQXHDVIHBCCDPI-GJZGRUSLSA-N 1 0 451.413 3.524 20 0 JHADRO CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC[N@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313584957 1070709470 /nfs/dbraw/zinc/70/94/70/1070709470.db2.gz RDMCHFSMPNYWCF-IBGZPJMESA-N 1 0 479.716 3.629 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314627464 1070720319 /nfs/dbraw/zinc/72/03/19/1070720319.db2.gz ARJIPGOWYDDIMK-VQTJNVASSA-N 1 0 476.666 3.697 20 0 JHADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC001309372182 1070730607 /nfs/dbraw/zinc/73/06/07/1070730607.db2.gz QQZXDKAJTXXNPS-UHFFFAOYSA-N 1 0 458.502 3.681 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001314629576 1070728250 /nfs/dbraw/zinc/72/82/50/1070728250.db2.gz CHFIUDZRXXESBT-ISKFKSNPSA-N 1 0 488.721 3.766 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(CC(C)(C)C)nnc1Nc1cnn(CC2CCC2)c1 ZINC001314629732 1070728785 /nfs/dbraw/zinc/72/87/85/1070728785.db2.gz SREVYMZIGRFQHB-OAQYLSRUSA-N 1 0 470.666 3.550 20 0 JHADRO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001313607497 1070731188 /nfs/dbraw/zinc/73/11/88/1070731188.db2.gz CYPXWIUXTKILJT-SFTDATJTSA-N 1 0 478.682 3.942 20 0 JHADRO Cc1nnc([C@H](C)NS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)s1 ZINC001309385998 1070738861 /nfs/dbraw/zinc/73/88/61/1070738861.db2.gz ZSPGYSHVERWQJE-ONGXBYRLSA-N 1 0 460.600 3.634 20 0 JHADRO CN(C)C(=O)CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001314634556 1070739051 /nfs/dbraw/zinc/73/90/51/1070739051.db2.gz IVWVSAUMMIJFLB-UHFFFAOYSA-N 1 0 492.672 3.557 20 0 JHADRO CCN(c1nnc(CNC(=O)c2cccs2)n1CCC[N@@H+]1CCc2ccccc2C1)C(C)C ZINC001313617325 1070741663 /nfs/dbraw/zinc/74/16/63/1070741663.db2.gz LCCLXCDKYRHDPF-UHFFFAOYSA-N 1 0 466.655 3.953 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001309402386 1070748947 /nfs/dbraw/zinc/74/89/47/1070748947.db2.gz GYZOGARJAGKHFP-SFTDATJTSA-N 1 0 451.633 3.533 20 0 JHADRO C[C@H]1C[C@H](CCNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CCO1 ZINC001309395465 1070744604 /nfs/dbraw/zinc/74/46/04/1070744604.db2.gz TXRKHQARAKFQLD-QPNVDGBVSA-N 1 0 460.615 3.918 20 0 JHADRO CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CC[NH+](CCN(C)C)CC1)C(C)C ZINC001313621255 1070748435 /nfs/dbraw/zinc/74/84/35/1070748435.db2.gz JROKUFRGZZVKHK-SZPZYZBQSA-N 1 0 491.725 3.557 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cccnc2)nnc1N(CCO)Cc1ccc(Br)s1)C1CC1 ZINC001314648044 1070751180 /nfs/dbraw/zinc/75/11/80/1070751180.db2.gz GRPQOHBYZRYKOW-GOSISDBHSA-N 1 0 491.459 3.503 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC001314650066 1070758021 /nfs/dbraw/zinc/75/80/21/1070758021.db2.gz YTZNYZZKTVQJOS-FPOVZHCZSA-N 1 0 459.038 3.811 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314649120 1070754083 /nfs/dbraw/zinc/75/40/83/1070754083.db2.gz RZVRPOWCPZGDGA-HKUYNNGSSA-N 1 0 485.658 3.751 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCNC2=O)CC1)c1ccccc1 ZINC001314650212 1070758137 /nfs/dbraw/zinc/75/81/37/1070758137.db2.gz GXWCNYRSRQVSBU-JOCHJYFZSA-N 1 0 467.662 3.554 20 0 JHADRO CN(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1c(F)cccc1F ZINC001314649409 1070755572 /nfs/dbraw/zinc/75/55/72/1070755572.db2.gz BADMIGHZZBHGFW-NQIIRXRSSA-N 1 0 476.616 3.674 20 0 JHADRO CN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001314649364 1070755634 /nfs/dbraw/zinc/75/56/34/1070755634.db2.gz VZHHKGTVAFPMKT-RXVVDRJESA-N 1 0 498.068 3.871 20 0 JHADRO CN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001314649362 1070755651 /nfs/dbraw/zinc/75/56/51/1070755651.db2.gz VZHHKGTVAFPMKT-GHTZIAJQSA-N 1 0 498.068 3.871 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC001314649458 1070756163 /nfs/dbraw/zinc/75/61/63/1070756163.db2.gz BQJKALFYOQDCNP-PMACEKPBSA-N 1 0 476.666 3.744 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)F)CC1)c1ccc(F)cc1 ZINC001314649888 1070757313 /nfs/dbraw/zinc/75/73/13/1070757313.db2.gz XWFGGFJEJXHBNA-IBGZPJMESA-N 1 0 493.965 3.823 20 0 JHADRO CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCOC1 ZINC001314651170 1070760783 /nfs/dbraw/zinc/76/07/83/1070760783.db2.gz AWNICYOIFWBORV-DXBBTUNJSA-N 1 0 459.610 3.864 20 0 JHADRO CCN(CC(C)C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001313630468 1070760978 /nfs/dbraw/zinc/76/09/78/1070760978.db2.gz NQDQJFWBZVOSRS-FGZHOGPDSA-N 1 0 454.619 3.557 20 0 JHADRO CCN(CC(C)C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001313630470 1070761555 /nfs/dbraw/zinc/76/15/55/1070761555.db2.gz NQDQJFWBZVOSRS-YADHBBJMSA-N 1 0 454.619 3.557 20 0 JHADRO CCN(CC(C)C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC[NH+]1CCOCC1 ZINC001313634391 1070766775 /nfs/dbraw/zinc/76/67/75/1070766775.db2.gz OTGHMQKPFACNBA-NRFANRHFSA-N 1 0 478.682 3.945 20 0 JHADRO CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCSC1 ZINC001314652138 1070762366 /nfs/dbraw/zinc/76/23/66/1070762366.db2.gz DNIXOHPAYHULHW-MOPGFXCFSA-N 1 0 488.658 3.653 20 0 JHADRO CCN(CC(C)C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCCCC1 ZINC001313632605 1070763321 /nfs/dbraw/zinc/76/33/21/1070763321.db2.gz ZFTCMVNTZGBZAQ-NRFANRHFSA-N 1 0 478.682 3.945 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(CCC(N)=O)CC1)c1ccc(F)cc1 ZINC001314653136 1070764877 /nfs/dbraw/zinc/76/48/77/1070764877.db2.gz XNEYMWOPOKKFAX-QFIPXVFZSA-N 1 0 456.610 3.860 20 0 JHADRO C[NH+](C)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CCCCC1 ZINC001314657034 1070775529 /nfs/dbraw/zinc/77/55/29/1070775529.db2.gz SIMFHXOURGZOJN-GOSISDBHSA-N 1 0 471.568 3.784 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)(C)C)CC1)c1cccs1 ZINC001314654171 1070768329 /nfs/dbraw/zinc/76/83/29/1070768329.db2.gz IOUDCMUOESEWEF-IBGZPJMESA-N 1 0 474.675 3.549 20 0 JHADRO CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC001309436312 1070768963 /nfs/dbraw/zinc/76/89/63/1070768963.db2.gz OXCGYHLCUBHNBT-HSZRJFAPSA-N 1 0 457.640 3.748 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001314654668 1070769474 /nfs/dbraw/zinc/76/94/74/1070769474.db2.gz VQHQHXBUTLJBQJ-SFTDATJTSA-N 1 0 486.661 3.608 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001314654666 1070769807 /nfs/dbraw/zinc/76/98/07/1070769807.db2.gz VQHQHXBUTLJBQJ-RTWAWAEBSA-N 1 0 486.661 3.608 20 0 JHADRO CCN(CC)C(=O)c1ccc(Cn2c(C3CCCC3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC001313635409 1070770228 /nfs/dbraw/zinc/77/02/28/1070770228.db2.gz FUEQOLAOCCSLLW-FQEVSTJZSA-N 1 0 452.647 3.996 20 0 JHADRO CCN(CC)C(=O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC001313635474 1070770397 /nfs/dbraw/zinc/77/03/97/1070770397.db2.gz GOSBXUOOSADKMN-HSZRJFAPSA-N 1 0 496.700 3.556 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)c1cccc(F)c1 ZINC001314654932 1070771047 /nfs/dbraw/zinc/77/10/47/1070771047.db2.gz IZKFWKNUSDVTNJ-DENIHFKCSA-N 1 0 470.637 3.804 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CO)CC1)c1cccs1 ZINC001314655134 1070771449 /nfs/dbraw/zinc/77/14/49/1070771449.db2.gz IZVUGBOHMCIVJZ-HXUWFJFHSA-N 1 0 461.582 3.720 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCOCC1)c1ccsc1 ZINC001314655237 1070771498 /nfs/dbraw/zinc/77/14/98/1070771498.db2.gz NQNCNJGBTMZLMB-IBGZPJMESA-N 1 0 492.443 3.821 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)c1ccc(F)cc1 ZINC001314655456 1070771999 /nfs/dbraw/zinc/77/19/99/1070771999.db2.gz LBXJMBJBQNBQOU-OAQYLSRUSA-N 1 0 487.668 3.939 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC001314655591 1070772846 /nfs/dbraw/zinc/77/28/46/1070772846.db2.gz QTSHDCSVJFBQSN-RBBKRZOGSA-N 1 0 466.655 3.520 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccsc1 ZINC001314656087 1070773956 /nfs/dbraw/zinc/77/39/56/1070773956.db2.gz PACXRYCXGOXZMA-AUSIDOKSSA-N 1 0 473.046 3.588 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)CC1)C1CC1 ZINC001314656217 1070774508 /nfs/dbraw/zinc/77/45/08/1070774508.db2.gz WLZHDRLWSBHYDO-IBGZPJMESA-N 1 0 486.970 3.535 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001314660251 1070783804 /nfs/dbraw/zinc/78/38/04/1070783804.db2.gz UETNUZKHBZYZEF-OAQYLSRUSA-N 1 0 486.636 3.986 20 0 JHADRO C[NH+](C)C1(Cn2c(COc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)CCC1 ZINC001314658016 1070778260 /nfs/dbraw/zinc/77/82/60/1070778260.db2.gz NPYZGJRFHNVMFG-UHFFFAOYSA-N 1 0 464.383 3.969 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccccc3F)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CCOCC1 ZINC001314660240 1070783903 /nfs/dbraw/zinc/78/39/03/1070783903.db2.gz TYDFJYDVSDVGQV-IBGZPJMESA-N 1 0 499.553 3.667 20 0 JHADRO C[NH+](C)C1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(F)cn3)CC2)CCCCC1 ZINC001314660681 1070784510 /nfs/dbraw/zinc/78/45/10/1070784510.db2.gz XOHKTWZSLKSKPM-UHFFFAOYSA-N 1 0 457.642 3.992 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CC3CCCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CCSC1 ZINC001314658007 1070778412 /nfs/dbraw/zinc/77/84/12/1070778412.db2.gz NNIQKEQFZOEXJH-FCHUYYIVSA-N 1 0 489.652 3.978 20 0 JHADRO C[NH+](C)C1(Cn2c(COc3ccc(Br)cc3)nnc2N2CCOCC2)CCCCC1 ZINC001314658319 1070778976 /nfs/dbraw/zinc/77/89/76/1070778976.db2.gz XXRPKPANQAOVAQ-UHFFFAOYSA-N 1 0 478.435 3.721 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@H](O)c2ccc(F)cc2)cc1 ZINC001309452142 1070779021 /nfs/dbraw/zinc/77/90/21/1070779021.db2.gz NYDUJKWJOCYDCU-KKUQBAQOSA-N 1 0 468.594 3.755 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3cccc(F)c3)CC2)CCSC1 ZINC001314659158 1070780458 /nfs/dbraw/zinc/78/04/58/1070780458.db2.gz MRBHBQIZUAGHHF-RUZDIDTESA-N 1 0 474.694 3.765 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccccn3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CCCCC1 ZINC001314660525 1070784588 /nfs/dbraw/zinc/78/45/88/1070784588.db2.gz UWCXNGAYGFEHEI-OAQYLSRUSA-N 1 0 483.661 3.632 20 0 JHADRO CCOC(=O)c1oc2ccc(S(=O)(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1C ZINC001309461627 1070783568 /nfs/dbraw/zinc/78/35/68/1070783568.db2.gz ULYXRJJWPMGVAD-IBGZPJMESA-N 1 0 456.564 3.718 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001314664635 1070795357 /nfs/dbraw/zinc/79/53/57/1070795357.db2.gz CZWUETYUVRXXHJ-UHFFFAOYSA-N 1 0 471.556 3.649 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)C[NH+](C)C ZINC001314665290 1070796778 /nfs/dbraw/zinc/79/67/78/1070796778.db2.gz NLRXXGGWIGFFKX-JOCHJYFZSA-N 1 0 451.619 3.724 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001314667387 1070801197 /nfs/dbraw/zinc/80/11/97/1070801197.db2.gz GMGGMCSZTGIOAW-UHFFFAOYSA-N 1 0 465.646 3.709 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001314665638 1070797599 /nfs/dbraw/zinc/79/75/99/1070797599.db2.gz GUENDGJKBHMVIJ-ROUUACIJSA-N 1 0 498.411 3.866 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(CC(N)=O)CC1 ZINC001314666080 1070798348 /nfs/dbraw/zinc/79/83/48/1070798348.db2.gz LYDMEWIAMNBTTH-UHFFFAOYSA-N 1 0 497.471 3.844 20 0 JHADRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1)c1ccco1 ZINC001309483506 1070798892 /nfs/dbraw/zinc/79/88/92/1070798892.db2.gz HGZDQAPXBRRYFS-CXAGYDPISA-N 1 0 454.390 3.942 20 0 JHADRO CN(C)c1nccc2c1CCN(c1nnc(Cc3ccccc3F)n1CC(C)(C)C[NH+](C)C)C2 ZINC001314666560 1070799690 /nfs/dbraw/zinc/79/96/90/1070799690.db2.gz WXVLLURZTOSFBZ-UHFFFAOYSA-N 1 0 465.621 3.620 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001314666963 1070800170 /nfs/dbraw/zinc/80/01/70/1070800170.db2.gz CPEJXYVHYWQVRH-QFIPXVFZSA-N 1 0 498.672 3.980 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001314666873 1070800250 /nfs/dbraw/zinc/80/02/50/1070800250.db2.gz ZQDVMPGMYWFLHO-SANMLTNESA-N 1 0 496.681 3.609 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC=C(C(C)(C)C)CC2)c1 ZINC001314667560 1070801907 /nfs/dbraw/zinc/80/19/07/1070801907.db2.gz PCAUBNVJNJPVRP-UHFFFAOYSA-N 1 0 450.631 3.807 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001314668059 1070803310 /nfs/dbraw/zinc/80/33/10/1070803310.db2.gz ZJOBNXSOABJREI-VXKWHMMOSA-N 1 0 484.645 3.733 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(OC(C)(C)C)CC2)cc1 ZINC001314668492 1070804770 /nfs/dbraw/zinc/80/47/70/1070804770.db2.gz ILAXDSNYMZHTQJ-HSZRJFAPSA-N 1 0 471.646 3.902 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001314669020 1070806035 /nfs/dbraw/zinc/80/60/35/1070806035.db2.gz UWLHREKTXQMDOC-QGZVFWFLSA-N 1 0 466.413 3.670 20 0 JHADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)c2csnc2-c2ccccc2)CC1 ZINC001309492129 1070806569 /nfs/dbraw/zinc/80/65/69/1070806569.db2.gz OUNKQBISWWDVDM-IBGZPJMESA-N 1 0 451.658 3.692 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001314669180 1070807002 /nfs/dbraw/zinc/80/70/02/1070807002.db2.gz XEEGHBWFOWLNCO-FQEVSTJZSA-N 1 0 485.032 3.846 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001314670421 1070811631 /nfs/dbraw/zinc/81/16/31/1070811631.db2.gz FJZISRAEMMNOAH-JOCHJYFZSA-N 1 0 479.044 3.832 20 0 JHADRO C[NH+](C)CCCOc1ccc(Cn2c(N3CCN(c4ccccn4)CC3)nnc2C(C)(C)C)cc1 ZINC001314670839 1070812374 /nfs/dbraw/zinc/81/23/74/1070812374.db2.gz RFNJXCRMHRSSCN-UHFFFAOYSA-N 1 0 477.657 3.676 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001314670735 1070812567 /nfs/dbraw/zinc/81/25/67/1070812567.db2.gz MOKFBTWFCZPIQF-UHFFFAOYSA-N 1 0 495.937 3.548 20 0 JHADRO C[NH+](C)CCCOc1ccc(Cn2c(C3CCC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001314671349 1070814640 /nfs/dbraw/zinc/81/46/40/1070814640.db2.gz VHEQXBMDWYWTRD-UHFFFAOYSA-N 1 0 498.672 3.982 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 ZINC001314671673 1070815138 /nfs/dbraw/zinc/81/51/38/1070815138.db2.gz NQMIRZHZFYVNKO-ISKFKSNPSA-N 1 0 485.673 3.749 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001314671603 1070815229 /nfs/dbraw/zinc/81/52/29/1070815229.db2.gz MUNTYTBMGTUVSW-QFIPXVFZSA-N 1 0 498.672 3.980 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC=C(Br)C2)cc1 ZINC001314671629 1070815381 /nfs/dbraw/zinc/81/53/81/1070815381.db2.gz NJMCUUIARJUQHQ-UHFFFAOYSA-N 1 0 483.414 3.818 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 ZINC001314672151 1070816557 /nfs/dbraw/zinc/81/65/57/1070816557.db2.gz XNXHCMJPDGKYTI-OAQYLSRUSA-N 1 0 471.005 3.620 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001314672059 1070816812 /nfs/dbraw/zinc/81/68/12/1070816812.db2.gz PJJVSSMTGOLRFE-UHFFFAOYSA-N 1 0 480.579 3.505 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC001314672026 1070817021 /nfs/dbraw/zinc/81/70/21/1070817021.db2.gz OVAYUOYCUHTZSU-PKTZIBPZSA-N 1 0 469.674 3.913 20 0 JHADRO CN(Cc1cc(Br)cs1)c1nnc(C2CCCC2)n1CCOCC[NH+](C)C ZINC001314673436 1070819220 /nfs/dbraw/zinc/81/92/20/1070819220.db2.gz OTEMIJUYVVHKTE-UHFFFAOYSA-N 1 0 456.454 3.974 20 0 JHADRO CN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([NH+](C)C)CCCCC1)[C@@H]1CCSC1 ZINC001314679513 1070828791 /nfs/dbraw/zinc/82/87/91/1070828791.db2.gz UMLZAGONTYSXHY-LJQANCHMSA-N 1 0 477.700 3.555 20 0 JHADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)C3CCCCC3)n2CCC[NH+]2CCCCC2)c1 ZINC001314679504 1070829034 /nfs/dbraw/zinc/82/90/34/1070829034.db2.gz UHUZSYBYXVMRRE-UHFFFAOYSA-N 1 0 488.702 3.840 20 0 JHADRO CN(c1nnc(-c2ccccc2)n1CCCC[NH+]1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314682053 1070835507 /nfs/dbraw/zinc/83/55/07/1070835507.db2.gz KCOFGNGTAAOFSC-UHFFFAOYSA-N 1 0 498.672 3.893 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313654506 1070839461 /nfs/dbraw/zinc/83/94/61/1070839461.db2.gz PQNGXDCIIZKZNG-NHCUHLMSSA-N 1 0 475.726 3.916 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001313655150 1070842676 /nfs/dbraw/zinc/84/26/76/1070842676.db2.gz JIWWOZBSVLUOPY-QFIPXVFZSA-N 1 0 487.718 3.959 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001313655831 1070847439 /nfs/dbraw/zinc/84/74/39/1070847439.db2.gz ZTDGCIVLVVDRNO-NRFANRHFSA-N 1 0 487.718 3.779 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313655896 1070847503 /nfs/dbraw/zinc/84/75/03/1070847503.db2.gz ASXZMUOBVUTEMC-KRWDZBQOSA-N 1 0 491.478 3.790 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313655897 1070847613 /nfs/dbraw/zinc/84/76/13/1070847613.db2.gz ASXZMUOBVUTEMC-QGZVFWFLSA-N 1 0 491.478 3.790 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001313656311 1070849347 /nfs/dbraw/zinc/84/93/47/1070849347.db2.gz HQHVOWNKFZVJLY-AEFFLSMTSA-N 1 0 479.467 3.897 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1C(C)C ZINC001313656285 1070849574 /nfs/dbraw/zinc/84/95/74/1070849574.db2.gz AQRLWPFIPAAXDS-DENIHFKCSA-N 1 0 476.691 3.551 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001313656571 1070851186 /nfs/dbraw/zinc/85/11/86/1070851186.db2.gz JXFJJLMGNXOHCD-FUHWJXTLSA-N 1 0 458.598 3.788 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1CC1([S@@](C)=O)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314692362 1070851844 /nfs/dbraw/zinc/85/18/44/1070851844.db2.gz AGICNOHSHFAFAA-GFJKYASSSA-N 1 0 457.688 3.879 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCCC2)C1 ZINC001313657483 1070855395 /nfs/dbraw/zinc/85/53/95/1070855395.db2.gz MEZWGKGNQGCSOG-LJQANCHMSA-N 1 0 459.660 3.849 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001313657104 1070853500 /nfs/dbraw/zinc/85/35/00/1070853500.db2.gz JFBPTZTZUZITTN-NQIIRXRSSA-N 1 0 461.676 3.596 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313659714 1070863529 /nfs/dbraw/zinc/86/35/29/1070863529.db2.gz JKDOZGZVDPBXMS-UNMCSNQZSA-N 1 0 477.657 3.965 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001313657803 1070857145 /nfs/dbraw/zinc/85/71/45/1070857145.db2.gz VENFUEMSJQJPDX-GOSISDBHSA-N 1 0 490.599 3.868 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313659561 1070863819 /nfs/dbraw/zinc/86/38/19/1070863819.db2.gz ZDGPQJCOFAJXES-CVEARBPZSA-N 1 0 466.989 3.745 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313659713 1070863877 /nfs/dbraw/zinc/86/38/77/1070863877.db2.gz JKDOZGZVDPBXMS-RBBKRZOGSA-N 1 0 477.657 3.965 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313658067 1070858467 /nfs/dbraw/zinc/85/84/67/1070858467.db2.gz WZTATUQDZNFXMO-WOJBJXKFSA-N 1 0 463.630 3.589 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001313658675 1070860141 /nfs/dbraw/zinc/86/01/41/1070860141.db2.gz SWUDMISQYUELGW-FUHWJXTLSA-N 1 0 460.989 3.901 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313659825 1070864112 /nfs/dbraw/zinc/86/41/12/1070864112.db2.gz LNEXKQBULNKSDJ-AZUAARDMSA-N 1 0 472.634 3.787 20 0 JHADRO CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1)[C@H]1CCOC1 ZINC001314700202 1070865417 /nfs/dbraw/zinc/86/54/17/1070865417.db2.gz KEQHQWZUHGYXLQ-ZCNNSNEGSA-N 1 0 476.666 3.538 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001313660509 1070865400 /nfs/dbraw/zinc/86/54/00/1070865400.db2.gz RWGSMZDGZGMOJQ-KRWDZBQOSA-N 1 0 471.009 3.562 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313660374 1070865446 /nfs/dbraw/zinc/86/54/46/1070865446.db2.gz RGKHKJZHQPVBHF-ICSRJNTNSA-N 1 0 457.623 3.516 20 0 JHADRO Cc1cc(Br)c(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)cc1Br ZINC001309576554 1070865619 /nfs/dbraw/zinc/86/56/19/1070865619.db2.gz IKFXWNSOVQSBPM-UHFFFAOYSA-N 1 0 454.228 3.673 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001313660945 1070866827 /nfs/dbraw/zinc/86/68/27/1070866827.db2.gz UZVLTYZRAYQHJW-PGRDOPGGSA-N 1 0 459.635 3.944 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001313660947 1070866854 /nfs/dbraw/zinc/86/68/54/1070866854.db2.gz UZVLTYZRAYQHJW-XMSQKQJNSA-N 1 0 459.635 3.944 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313661857 1070869541 /nfs/dbraw/zinc/86/95/41/1070869541.db2.gz JRMNTFIAJRXPID-DSKINZAPSA-N 1 0 471.650 3.728 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 ZINC001313662231 1070869884 /nfs/dbraw/zinc/86/98/84/1070869884.db2.gz PUEIOJPBKXORHT-IRLDBZIGSA-N 1 0 452.647 3.826 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 ZINC001313662230 1070870239 /nfs/dbraw/zinc/87/02/39/1070870239.db2.gz PUEIOJPBKXORHT-IFMALSPDSA-N 1 0 452.647 3.826 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)OC(C)(C)C1)c1ccccc1 ZINC001313663503 1070872486 /nfs/dbraw/zinc/87/24/86/1070872486.db2.gz DUFZFULMMLHOKQ-OAQYLSRUSA-N 1 0 470.662 3.893 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313663069 1070871207 /nfs/dbraw/zinc/87/12/07/1070871207.db2.gz GBMQPNMBCSEPKG-AQNXPRMDSA-N 1 0 464.655 3.744 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC001309594157 1070873971 /nfs/dbraw/zinc/87/39/71/1070873971.db2.gz VOJSTEJQQGDTBK-SJLPKXTDSA-N 1 0 473.422 3.817 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1[C@H]1CCCO1)c1ccccc1 ZINC001313664224 1070875875 /nfs/dbraw/zinc/87/58/75/1070875875.db2.gz LOAZGJQSTSXWMU-DNVJHFABSA-N 1 0 468.646 3.647 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001314706425 1070876189 /nfs/dbraw/zinc/87/61/89/1070876189.db2.gz BLBUMVKSOSAHQH-UHFFFAOYSA-N 1 0 491.478 3.933 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1 ZINC001313665964 1070881589 /nfs/dbraw/zinc/88/15/89/1070881589.db2.gz FPEWCEJXFMMHGU-RLSLOFABSA-N 1 0 476.666 3.697 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)CC1)c1ccco1 ZINC001313665728 1070881093 /nfs/dbraw/zinc/88/10/93/1070881093.db2.gz SNOXPDMHDQFFRS-HSZRJFAPSA-N 1 0 493.656 3.727 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313664789 1070877587 /nfs/dbraw/zinc/87/75/87/1070877587.db2.gz OMZAQSGFQRRRPD-LEWJYISDSA-N 1 0 464.655 3.555 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccn2C)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001314707332 1070878393 /nfs/dbraw/zinc/87/83/93/1070878393.db2.gz JYYZXLIEARNWII-QHCPKHFHSA-N 1 0 491.684 3.937 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313664939 1070878846 /nfs/dbraw/zinc/87/88/46/1070878846.db2.gz AZKLAHAGAMXSOK-DXBBTUNJSA-N 1 0 476.710 3.668 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(F)ccc2C1)c1ccco1 ZINC001313665314 1070879688 /nfs/dbraw/zinc/87/96/88/1070879688.db2.gz RCFGJGWLWIOWSI-NRFANRHFSA-N 1 0 468.577 3.794 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001313665584 1070880088 /nfs/dbraw/zinc/88/00/88/1070880088.db2.gz FWCBRNDWHIONEZ-JSXRDJHFSA-N 1 0 476.666 3.696 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001313665441 1070880134 /nfs/dbraw/zinc/88/01/34/1070880134.db2.gz DWFYROWFRZYGAV-IBGZPJMESA-N 1 0 467.618 3.971 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001313667610 1070889542 /nfs/dbraw/zinc/88/95/42/1070889542.db2.gz YJDWXEOMZGMYQD-QHAWAJNXSA-N 1 0 492.709 3.984 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)C1)c1ccco1 ZINC001313666462 1070883782 /nfs/dbraw/zinc/88/37/82/1070883782.db2.gz XBUXQLVPHKXKNC-VXKWHMMOSA-N 1 0 494.640 3.989 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2ccsc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314709167 1070884617 /nfs/dbraw/zinc/88/46/17/1070884617.db2.gz VQPHXHJQRHHZEY-HXUWFJFHSA-N 1 0 460.692 3.792 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314709263 1070885163 /nfs/dbraw/zinc/88/51/63/1070885163.db2.gz ZJPIRGVMTAIWHB-QFIPXVFZSA-N 1 0 479.673 3.822 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC001313667134 1070885729 /nfs/dbraw/zinc/88/57/29/1070885729.db2.gz JBUNRXXUFCZFSD-IBGZPJMESA-N 1 0 471.650 3.830 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001313666861 1070886597 /nfs/dbraw/zinc/88/65/97/1070886597.db2.gz VJFOTFVVUMKQES-FXAWDEMLSA-N 1 0 461.680 3.650 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC001313666986 1070887632 /nfs/dbraw/zinc/88/76/32/1070887632.db2.gz ZGQOGBOGTFGNTM-DHIUTWEWSA-N 1 0 478.645 3.574 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001313667100 1070887805 /nfs/dbraw/zinc/88/78/05/1070887805.db2.gz IRNFYQXFCDOZOR-VQIMIIECSA-N 1 0 486.107 3.577 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313667912 1070890766 /nfs/dbraw/zinc/89/07/66/1070890766.db2.gz MGYWIOYUURFORW-NLFFAJNJSA-N 1 0 465.683 3.833 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001313668806 1070892927 /nfs/dbraw/zinc/89/29/27/1070892927.db2.gz SJWMSZZINGLYBC-RNHFSVANSA-N 1 0 459.610 3.513 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314711626 1070893156 /nfs/dbraw/zinc/89/31/56/1070893156.db2.gz JPCLFZQFPPVIAB-RTWAWAEBSA-N 1 0 490.599 3.993 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCn2nc(C)nc2C1 ZINC001313669002 1070893602 /nfs/dbraw/zinc/89/36/02/1070893602.db2.gz UQUIVQZONQDHBI-FQEVSTJZSA-N 1 0 480.661 3.939 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 ZINC001313671284 1070899344 /nfs/dbraw/zinc/89/93/44/1070899344.db2.gz GXKUPRGLORXAJP-GPXOXTDOSA-N 1 0 482.673 3.955 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 ZINC001313671285 1070899367 /nfs/dbraw/zinc/89/93/67/1070899367.db2.gz GXKUPRGLORXAJP-ICDZXHCJSA-N 1 0 482.673 3.955 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](COC)C1)c1ccsc1 ZINC001313671452 1070899565 /nfs/dbraw/zinc/89/95/65/1070899565.db2.gz JPRILVUBKFVKPH-WIYYLYMNSA-N 1 0 457.648 3.686 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)OC)C1)c1ccccc1 ZINC001313671455 1070900230 /nfs/dbraw/zinc/90/02/30/1070900230.db2.gz JPUAQICCIQGIKT-ZLNRFVROSA-N 1 0 469.630 3.992 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(C)=O)C1)c1ccco1 ZINC001313671613 1070900286 /nfs/dbraw/zinc/90/02/86/1070900286.db2.gz ATLWGIIBMZQZMC-PMACEKPBSA-N 1 0 454.575 3.628 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)c1ccccc1 ZINC001313673916 1070909376 /nfs/dbraw/zinc/90/93/76/1070909376.db2.gz SGVXJABYDNIKMZ-VWNXMTODSA-N 1 0 490.656 3.559 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1)c1ccco1 ZINC001313671886 1070901681 /nfs/dbraw/zinc/90/16/81/1070901681.db2.gz CHGAHZAXZRRPTA-HXUWFJFHSA-N 1 0 471.005 3.976 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 ZINC001313672929 1070905913 /nfs/dbraw/zinc/90/59/13/1070905913.db2.gz QBTPZEGRLCRBDA-ZEQRLZLVSA-N 1 0 482.673 3.608 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1cnn(C)c1)c1ccsc1 ZINC001313673138 1070906249 /nfs/dbraw/zinc/90/62/49/1070906249.db2.gz JNOLQFFUINTLSK-OAQYLSRUSA-N 1 0 452.632 3.798 20 0 JHADRO Cc1ccc(Br)c(CS(=O)(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC001309659885 1070908583 /nfs/dbraw/zinc/90/85/83/1070908583.db2.gz WLSCFHPYMRXLFG-HXUWFJFHSA-N 1 0 451.430 3.836 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 ZINC001313673914 1070909125 /nfs/dbraw/zinc/90/91/25/1070909125.db2.gz SGVXJABYDNIKMZ-LADGPHEKSA-N 1 0 490.656 3.559 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(C)C)C1)c1ccsc1 ZINC001313674309 1070910587 /nfs/dbraw/zinc/91/05/87/1070910587.db2.gz UQCJGLBFUZJYRK-LEWJYISDSA-N 1 0 457.648 3.684 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C)c1ccsc1 ZINC001313674430 1070911720 /nfs/dbraw/zinc/91/17/20/1070911720.db2.gz JGQAZONREJNGIV-NFBKMPQASA-N 1 0 496.681 3.977 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(N2CCOC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccco1 ZINC001313674800 1070912534 /nfs/dbraw/zinc/91/25/34/1070912534.db2.gz KSAXUHKJTHUTRW-CPJSRVTESA-N 1 0 475.634 3.610 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccsc1 ZINC001313674595 1070912708 /nfs/dbraw/zinc/91/27/08/1070912708.db2.gz PJKMQXGFJHMCAA-GHTZIAJQSA-N 1 0 483.642 3.762 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(C)=O)CC1)c1ccco1 ZINC001313674956 1070914091 /nfs/dbraw/zinc/91/40/91/1070914091.db2.gz QONUKBLZZWFUJD-FQEVSTJZSA-N 1 0 454.575 3.628 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC001313674941 1070914266 /nfs/dbraw/zinc/91/42/66/1070914266.db2.gz QIWFZGVECWWRKX-SIKLNZKXSA-N 1 0 482.654 3.800 20 0 JHADRO CN(Cc1c(F)cccc1Cl)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314720211 1070914417 /nfs/dbraw/zinc/91/44/17/1070914417.db2.gz QVPZTIYEVQUDJO-QGZVFWFLSA-N 1 0 498.068 3.874 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)OC)CC1)c1ccco1 ZINC001313675207 1070914924 /nfs/dbraw/zinc/91/49/24/1070914924.db2.gz YCGPPEAIVMICRG-NRFANRHFSA-N 1 0 466.586 3.714 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccsc1 ZINC001313676167 1070919729 /nfs/dbraw/zinc/91/97/29/1070919729.db2.gz CXMAOBZOSSDSFS-AABGKKOBSA-N 1 0 474.675 3.946 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NC)CC1)c1ccccc1 ZINC001313675427 1070915771 /nfs/dbraw/zinc/91/57/71/1070915771.db2.gz YZAHUUCUOZJZCU-XZOQPEGZSA-N 1 0 468.646 3.565 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NC)CC1)c1ccccc1 ZINC001313675424 1070915786 /nfs/dbraw/zinc/91/57/86/1070915786.db2.gz YZAHUUCUOZJZCU-DHIUTWEWSA-N 1 0 468.646 3.565 20 0 JHADRO CC(=O)c1cc(S(=O)(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)ccc1Br ZINC001309681352 1070919798 /nfs/dbraw/zinc/91/97/98/1070919798.db2.gz VDZOSSQWOQCDQY-UHFFFAOYSA-N 1 0 457.434 3.927 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313675770 1070917916 /nfs/dbraw/zinc/91/79/16/1070917916.db2.gz BOUBZJCXRJCXDC-HXUWFJFHSA-N 1 0 458.651 3.847 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1)c1ccccc1 ZINC001313675893 1070918746 /nfs/dbraw/zinc/91/87/46/1070918746.db2.gz VXSXZKIAGIUHKX-LEWJYISDSA-N 1 0 453.591 3.754 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc([C@H]2CCCCO2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314723156 1070923222 /nfs/dbraw/zinc/92/32/22/1070923222.db2.gz MUJDVQDWIARCSJ-WIYYLYMNSA-N 1 0 451.040 3.642 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314723933 1070924570 /nfs/dbraw/zinc/92/45/70/1070924570.db2.gz ZOFZFJUGLQYYTG-OAQYLSRUSA-N 1 0 472.996 3.540 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1)c1ccsc1 ZINC001313678347 1070929392 /nfs/dbraw/zinc/92/93/92/1070929392.db2.gz NXMZFRZEIQYDBL-NTKDMRAZSA-N 1 0 460.692 3.974 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314726511 1070934280 /nfs/dbraw/zinc/93/42/80/1070934280.db2.gz GHOYXTHCTKOIIM-RTWAWAEBSA-N 1 0 492.462 3.765 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314726512 1070934308 /nfs/dbraw/zinc/93/43/08/1070934308.db2.gz GHOYXTHCTKOIIM-SFTDATJTSA-N 1 0 492.462 3.765 20 0 JHADRO CN(Cc1ccc(Cl)c(F)c1)c1nnc([C@@H]2CCCCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314727738 1070939423 /nfs/dbraw/zinc/93/94/23/1070939423.db2.gz DQCUSQGIXVIHNZ-NRFANRHFSA-N 1 0 479.044 3.975 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC(CO)CC1)c1ccsc1 ZINC001313680193 1070937737 /nfs/dbraw/zinc/93/77/37/1070937737.db2.gz RSSKSKHLRJSKLL-QFIPXVFZSA-N 1 0 454.644 3.617 20 0 JHADRO CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001313683339 1070944205 /nfs/dbraw/zinc/94/42/05/1070944205.db2.gz ATBLYNDNOMGFOJ-WOJBJXKFSA-N 1 0 490.718 3.798 20 0 JHADRO CN(Cc1ccc(Cl)c(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314730434 1070947187 /nfs/dbraw/zinc/94/71/87/1070947187.db2.gz SPCUMTKVEKMVIT-SFHVURJKSA-N 1 0 498.068 3.874 20 0 JHADRO CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001313688126 1070947648 /nfs/dbraw/zinc/94/76/48/1070947648.db2.gz IBXUUWZFHBHAKJ-LJQANCHMSA-N 1 0 464.655 3.555 20 0 JHADRO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314730966 1070949219 /nfs/dbraw/zinc/94/92/19/1070949219.db2.gz KTKNSWIWNUFMSL-WOJBJXKFSA-N 1 0 467.536 3.632 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2ccccc2OC)cc1 ZINC001309749091 1070952421 /nfs/dbraw/zinc/95/24/21/1070952421.db2.gz IPNVPXORSXBJSA-XZOQPEGZSA-N 1 0 452.576 3.650 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001313691462 1070950879 /nfs/dbraw/zinc/95/08/79/1070950879.db2.gz MSXKGWFRYMQGRL-UHFFFAOYSA-N 1 0 480.617 3.570 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3C)C2)CC1 ZINC001313691511 1070951328 /nfs/dbraw/zinc/95/13/28/1070951328.db2.gz NSSKVKQLMCXGCR-ONTIZHBOSA-N 1 0 488.702 3.626 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCCCCC2)CC1 ZINC001313691499 1070951386 /nfs/dbraw/zinc/95/13/86/1070951386.db2.gz NLAOXBDHNMTLLF-AREMUKBSSA-N 1 0 477.694 3.715 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)N2CCCCCC2)CC1 ZINC001313693047 1070953984 /nfs/dbraw/zinc/95/39/84/1070953984.db2.gz HGBGXEPNTSSLSH-UHFFFAOYSA-N 1 0 496.700 3.981 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CC3CC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001313693416 1070954660 /nfs/dbraw/zinc/95/46/60/1070954660.db2.gz JQSIPGHSYGRMKD-UHFFFAOYSA-N 1 0 470.609 3.701 20 0 JHADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1Cl ZINC001309755439 1070955182 /nfs/dbraw/zinc/95/51/82/1070955182.db2.gz SPEUMMCORJYHIZ-NVXWUHKLSA-N 1 0 451.976 3.565 20 0 JHADRO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc(-c2cnn(C)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314733462 1070955442 /nfs/dbraw/zinc/95/54/42/1070955442.db2.gz CBLMHYINBMTTEN-LJQANCHMSA-N 1 0 465.499 3.813 20 0 JHADRO CN(Cc1ccc(F)c(Cl)c1)c1nnc(-c2cccn2C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314733463 1070955495 /nfs/dbraw/zinc/95/54/95/1070955495.db2.gz CCCUWTGJVDYVEB-IBGZPJMESA-N 1 0 475.012 3.949 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001313694149 1070956503 /nfs/dbraw/zinc/95/65/03/1070956503.db2.gz DYICFVCKFNTAHI-FPOVZHCZSA-N 1 0 478.682 3.642 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)C(C)C)CC1 ZINC001313694403 1070957312 /nfs/dbraw/zinc/95/73/12/1070957312.db2.gz JGFRYLNJMCMFEQ-VWLOTQADSA-N 1 0 459.635 3.680 20 0 JHADRO CN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314734789 1070958041 /nfs/dbraw/zinc/95/80/41/1070958041.db2.gz KCMLXSIJEVAHPT-RBUKOAKNSA-N 1 0 460.554 3.508 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCOCC2(C)C)CC1 ZINC001313696779 1070964440 /nfs/dbraw/zinc/96/44/40/1070964440.db2.gz IUBIHZSKJSMHTO-UHFFFAOYSA-N 1 0 498.716 3.895 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001313695686 1070960804 /nfs/dbraw/zinc/96/08/04/1070960804.db2.gz AOIDJHNOTMLDHR-DEOSSOPVSA-N 1 0 496.700 3.641 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001313696070 1070961977 /nfs/dbraw/zinc/96/19/77/1070961977.db2.gz SWLWJNFEYJEVHY-OAQYLSRUSA-N 1 0 483.661 3.625 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 ZINC001313696234 1070962500 /nfs/dbraw/zinc/96/25/00/1070962500.db2.gz FYQSYGLFYNUZOX-ZJSXRUAMSA-N 1 0 471.646 3.528 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCc2ccccc2)CC1 ZINC001313696968 1070965086 /nfs/dbraw/zinc/96/50/86/1070965086.db2.gz MXADUBFVEHVNFI-UHFFFAOYSA-N 1 0 452.647 3.848 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@H]2CCCCO2)n1CC[NH+]1CCCCCC1 ZINC001314737452 1070966280 /nfs/dbraw/zinc/96/62/80/1070966280.db2.gz MYBMDKRPXXAFLV-KCEHZKJRSA-N 1 0 459.660 3.770 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc([C@@H]2CCCCO2)n1CC[NH+]1CCCCCC1 ZINC001314737450 1070966346 /nfs/dbraw/zinc/96/63/46/1070966346.db2.gz MYBMDKRPXXAFLV-GHRAFVERSA-N 1 0 459.660 3.770 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CC2(C)C)CC1 ZINC001313698541 1070971102 /nfs/dbraw/zinc/97/11/02/1070971102.db2.gz HBDREAAQJPXWEX-QFIPXVFZSA-N 1 0 482.673 3.510 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC2(OC)CCC(C)CC2)CC1 ZINC001313698959 1070972569 /nfs/dbraw/zinc/97/25/69/1070972569.db2.gz GEJFHKQWYCSADG-UHFFFAOYSA-N 1 0 496.700 3.839 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](C(=O)OC)C2)c1 ZINC001313700180 1070975886 /nfs/dbraw/zinc/97/58/86/1070975886.db2.gz POUSNFLTRDXOGW-HSZRJFAPSA-N 1 0 476.625 3.928 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCSC2(C)C)CC1 ZINC001313699869 1070975301 /nfs/dbraw/zinc/97/53/01/1070975301.db2.gz QRZWRBBFYQIZLN-OAQYLSRUSA-N 1 0 484.714 3.776 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2CCN(Cc3cnc(C)s3)CC2)c1 ZINC001313700171 1070976137 /nfs/dbraw/zinc/97/61/37/1070976137.db2.gz PIILRDVTPLTFAH-UHFFFAOYSA-N 1 0 453.660 3.564 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC(F)(F)F)CC1 ZINC001313700968 1070978722 /nfs/dbraw/zinc/97/87/22/1070978722.db2.gz OTWHKEWYIQBVRG-UHFFFAOYSA-N 1 0 486.970 3.931 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2N2CCCCC2)CC1 ZINC001313701095 1070978776 /nfs/dbraw/zinc/97/87/76/1070978776.db2.gz QYMKVGZZNXWAKX-UHFFFAOYSA-N 1 0 495.716 3.605 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC001313700966 1070978872 /nfs/dbraw/zinc/97/88/72/1070978872.db2.gz OTTVWNARNPKJDX-OAQYLSRUSA-N 1 0 491.080 3.607 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](C)OC)C1 ZINC001313701232 1070979519 /nfs/dbraw/zinc/97/95/19/1070979519.db2.gz CXRCFCXYLXEFPW-IAGOWNOFSA-N 1 0 480.451 3.919 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(CS(C)(=O)=O)CC2)C1 ZINC001313701195 1070979628 /nfs/dbraw/zinc/97/96/28/1070979628.db2.gz CEFBYJZJIKULSR-GOSISDBHSA-N 1 0 480.078 3.591 20 0 JHADRO COC(=O)C(C)(C)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001309814735 1070979859 /nfs/dbraw/zinc/97/98/59/1070979859.db2.gz JBICKXWXQBIBBO-QFIPXVFZSA-N 1 0 458.624 3.812 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC3CCCC3)nnc2N2CCCN(C(C)=O)CC2)cc1 ZINC001313700312 1070976751 /nfs/dbraw/zinc/97/67/51/1070976751.db2.gz RHRHVQBIMYTGPP-UHFFFAOYSA-N 1 0 466.674 3.960 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(C)C)nnc2N2CCCN(C(=O)C(C)C)CC2)c1 ZINC001313700578 1070977547 /nfs/dbraw/zinc/97/75/47/1070977547.db2.gz UAGBYBRHTOLKPW-UHFFFAOYSA-N 1 0 454.663 3.986 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nccn2C(F)F)C1 ZINC001313702286 1070983613 /nfs/dbraw/zinc/98/36/13/1070983613.db2.gz NXGVRLBMHZZVEM-KRWDZBQOSA-N 1 0 459.545 3.762 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 ZINC001313703005 1070985458 /nfs/dbraw/zinc/98/54/58/1070985458.db2.gz DDHYBKOIZFAUPV-QHCPKHFHSA-N 1 0 496.059 3.989 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC001313703327 1070986711 /nfs/dbraw/zinc/98/67/11/1070986711.db2.gz OOJFAGSGRMDHSL-YADHBBJMSA-N 1 0 468.646 3.692 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313703730 1070988013 /nfs/dbraw/zinc/98/80/13/1070988013.db2.gz DQCQKURHPPGQOD-AREMUKBSSA-N 1 0 465.646 3.964 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313704133 1070988685 /nfs/dbraw/zinc/98/86/85/1070988685.db2.gz GTAOPKYEYSJIIK-JWQCQUIFSA-N 1 0 496.700 3.803 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2Cc2ccc(Cl)s2)CC1 ZINC001313704228 1070989783 /nfs/dbraw/zinc/98/97/83/1070989783.db2.gz LLNOILRZXVXDMD-UHFFFAOYSA-N 1 0 465.067 3.689 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CCC4(CCN(C)C4=O)CC3)nnc2C(C)(C)C)c1 ZINC001313704088 1070989807 /nfs/dbraw/zinc/98/98/07/1070989807.db2.gz UNDYTCBCAMGITF-UHFFFAOYSA-N 1 0 466.674 3.914 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)S[C@@H](C)C2)c1 ZINC001313704094 1070989835 /nfs/dbraw/zinc/98/98/35/1070989835.db2.gz UPITVMNVRAGVKG-BGYRXZFFSA-N 1 0 470.687 3.621 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2C[C@H]2C)C1 ZINC001313705511 1070993774 /nfs/dbraw/zinc/99/37/74/1070993774.db2.gz DBTNQMVKHFABRU-HOJAQTOUSA-N 1 0 459.038 3.686 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)SC)C1 ZINC001313707314 1070998239 /nfs/dbraw/zinc/99/82/39/1070998239.db2.gz LVMAWCNRALTGJM-SFHVURJKSA-N 1 0 493.747 3.548 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCOC2)C1 ZINC001313705918 1070995005 /nfs/dbraw/zinc/99/50/05/1070995005.db2.gz FZGLFIOJVJXKKR-QZTJIDSGSA-N 1 0 462.436 3.912 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 ZINC001313706460 1070996386 /nfs/dbraw/zinc/99/63/86/1070996386.db2.gz XIFCQNMZAFYPCA-QFIPXVFZSA-N 1 0 454.663 3.849 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CCOCC2)C1 ZINC001313708277 1070999712 /nfs/dbraw/zinc/99/97/12/1070999712.db2.gz SEMHSEPZNCTQNH-DHIUTWEWSA-N 1 0 485.673 3.745 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(F)(F)F)C1 ZINC001313708384 1071000013 /nfs/dbraw/zinc/00/00/13/1071000013.db2.gz VCGATSIXYYEETG-MRXNPFEDSA-N 1 0 472.943 3.592 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(F)c(F)c2)C1 ZINC001313708503 1071000347 /nfs/dbraw/zinc/00/03/47/1071000347.db2.gz XJHMBKRLTNKFPS-IBGZPJMESA-N 1 0 483.567 3.614 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2ncccc2F)C1 ZINC001313708697 1071000755 /nfs/dbraw/zinc/00/07/55/1071000755.db2.gz AWTYRLBBSUYJNA-TUNNFDKTSA-N 1 0 488.652 3.978 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H]2CCOC2)C1 ZINC001313708813 1071001306 /nfs/dbraw/zinc/00/13/06/1071001306.db2.gz ZMAXWYRZEXHYGJ-VXKWHMMOSA-N 1 0 468.646 3.742 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[C@H](O)C2)C1 ZINC001313710207 1071003804 /nfs/dbraw/zinc/00/38/04/1071003804.db2.gz WHOHGSLYRNDBCC-VABKMULXSA-N 1 0 455.647 3.885 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ncnn2C(C)(C)C)C1 ZINC001314750565 1071002241 /nfs/dbraw/zinc/00/22/41/1071002241.db2.gz UNYDIEPXYZUKJT-FQEVSTJZSA-N 1 0 450.635 3.681 20 0 JHADRO O=S(=O)(NCC1(Br)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309880989 1071003919 /nfs/dbraw/zinc/00/39/19/1071003919.db2.gz ISGKBFUECLHPLU-VQTJNVASSA-N 1 0 467.404 3.641 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCOCC1 ZINC001313712648 1071008963 /nfs/dbraw/zinc/00/89/63/1071008963.db2.gz UZLAEERVIDKGEO-UHFFFAOYSA-N 1 0 466.424 3.675 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C)C1 ZINC001313712651 1071009012 /nfs/dbraw/zinc/00/90/12/1071009012.db2.gz VCCYJELGMUQMOS-GOSISDBHSA-N 1 0 461.680 3.515 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)c2c(C)noc2C)C1 ZINC001313710649 1071004807 /nfs/dbraw/zinc/00/48/07/1071004807.db2.gz BEPVUVYQLDJEOK-WIYYLYMNSA-N 1 0 451.619 3.841 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)=O)CC1 ZINC001313712724 1071009190 /nfs/dbraw/zinc/00/91/90/1071009190.db2.gz SSAPWIBTOZXQQE-UHFFFAOYSA-N 1 0 453.418 3.652 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001313711347 1071006065 /nfs/dbraw/zinc/00/60/65/1071006065.db2.gz CMUQSGQTQDTIEE-KRWDZBQOSA-N 1 0 486.970 3.835 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001313711612 1071006762 /nfs/dbraw/zinc/00/67/62/1071006762.db2.gz FLLBJKMFZNBNHR-UHFFFAOYSA-N 1 0 497.507 3.806 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CSCCS2)C1 ZINC001313711733 1071006977 /nfs/dbraw/zinc/00/69/77/1071006977.db2.gz HPJHNQAPKYKAFD-HKUYNNGSSA-N 1 0 466.746 3.651 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CSCCS2)C1 ZINC001313711741 1071007012 /nfs/dbraw/zinc/00/70/12/1071007012.db2.gz HPJHNQAPKYKAFD-MJGOQNOKSA-N 1 0 466.746 3.651 20 0 JHADRO CN(Cc1ccccn1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001314754715 1071007932 /nfs/dbraw/zinc/00/79/32/1071007932.db2.gz IPSXAFQNNUXUGZ-TYKWCNGQSA-N 1 0 469.634 3.566 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313712652 1071008872 /nfs/dbraw/zinc/00/88/72/1071008872.db2.gz RCVQQKOLTDPQHP-AVRWGWEMSA-N 1 0 472.703 3.826 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001313712812 1071009879 /nfs/dbraw/zinc/00/98/79/1071009879.db2.gz UYSNCIWRTMRLPJ-HXUWFJFHSA-N 1 0 489.462 3.641 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313713167 1071010300 /nfs/dbraw/zinc/01/03/00/1071010300.db2.gz YZMUUQQTFVNXSM-OAHLLOKOSA-N 1 0 482.398 3.578 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCn2nc(C)nc2C1 ZINC001313713162 1071010472 /nfs/dbraw/zinc/01/04/72/1071010472.db2.gz WSJBDZXXPNASCR-HXUWFJFHSA-N 1 0 466.634 3.687 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCCC2(C)C)C1 ZINC001313714335 1071012228 /nfs/dbraw/zinc/01/22/28/1071012228.db2.gz XZAIMMLILGLBHT-NTKDMRAZSA-N 1 0 460.692 3.743 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2Cc2nccn2C(F)F)C1 ZINC001313714550 1071012539 /nfs/dbraw/zinc/01/25/39/1071012539.db2.gz ZGGPFWVANIDPOA-KRWDZBQOSA-N 1 0 461.536 3.816 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 ZINC001313715582 1071014623 /nfs/dbraw/zinc/01/46/23/1071014623.db2.gz JAGYWMBCFXMGTI-UHFFFAOYSA-N 1 0 451.619 3.511 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001313716130 1071015661 /nfs/dbraw/zinc/01/56/61/1071015661.db2.gz OLOSXSBHVMEPFD-NTKDMRAZSA-N 1 0 478.037 3.627 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001313717317 1071017103 /nfs/dbraw/zinc/01/71/03/1071017103.db2.gz NNGMYUUCCLWYQB-UHFFFAOYSA-N 1 0 488.080 3.592 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(-c2cccnc2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001314760640 1071017173 /nfs/dbraw/zinc/01/71/73/1071017173.db2.gz MQRGJJFYEWTKTB-OAQYLSRUSA-N 1 0 450.978 3.666 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS[C@H](C)C1 ZINC001313717535 1071017515 /nfs/dbraw/zinc/01/75/15/1071017515.db2.gz GHQAPKOYXOIEJK-LJQANCHMSA-N 1 0 456.660 3.737 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001313718045 1071018258 /nfs/dbraw/zinc/01/82/58/1071018258.db2.gz UYTQWOYQEXWPPJ-UHFFFAOYSA-N 1 0 453.610 3.857 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001313718775 1071019338 /nfs/dbraw/zinc/01/93/38/1071019338.db2.gz VBXMRONPZHJGLB-HKBOAZHASA-N 1 0 496.672 3.545 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314762305 1071019748 /nfs/dbraw/zinc/01/97/48/1071019748.db2.gz LPQBKJBUVPZATR-CRAIPNDOSA-N 1 0 497.591 3.925 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccsc2)nnc1N1CCCN(c2nccs2)CC1 ZINC001313715644 1071015010 /nfs/dbraw/zinc/01/50/10/1071015010.db2.gz GUBLBCSHNOLWPE-UHFFFAOYSA-N 1 0 459.689 3.836 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001313722038 1071025638 /nfs/dbraw/zinc/02/56/38/1071025638.db2.gz WEIBLSMEBIHYSP-IEBWSBKVSA-N 1 0 475.037 3.539 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001313720780 1071021934 /nfs/dbraw/zinc/02/19/34/1071021934.db2.gz ZYFSJLHZBOWPNU-QFIPXVFZSA-N 1 0 472.634 3.552 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1c1nncn1C ZINC001313721029 1071022732 /nfs/dbraw/zinc/02/27/32/1071022732.db2.gz BZJANZDRLDLFCM-APWZRJJASA-N 1 0 473.025 3.807 20 0 JHADRO C[NH+](C)[C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(C(F)(F)F)c3)C[C@H]2C1 ZINC001309946778 1071025917 /nfs/dbraw/zinc/02/59/17/1071025917.db2.gz ZFLAHSWTTGODSH-JHJVBQTASA-N 1 0 455.340 3.819 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314763629 1071023022 /nfs/dbraw/zinc/02/30/22/1071023022.db2.gz YHEZWYGKCDELIO-IBGZPJMESA-N 1 0 479.526 3.737 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001313721730 1071025162 /nfs/dbraw/zinc/02/51/62/1071025162.db2.gz JHXIDPKMTQAOIP-LJQANCHMSA-N 1 0 485.702 3.687 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](OC)C1 ZINC001313721877 1071025250 /nfs/dbraw/zinc/02/52/50/1071025250.db2.gz UGNQBKLQJZKULV-NVXWUHKLSA-N 1 0 466.424 3.672 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H]1CCOC1 ZINC001313721861 1071025264 /nfs/dbraw/zinc/02/52/64/1071025264.db2.gz UDKYVAYMWXQOHZ-ZBFHGGJFSA-N 1 0 454.388 3.802 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001313723340 1071028753 /nfs/dbraw/zinc/02/87/53/1071028753.db2.gz IKUOEMGPUGXWED-RTBURBONSA-N 1 0 475.707 3.841 20 0 JHADRO CN(Cc1ccoc1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314766813 1071029041 /nfs/dbraw/zinc/02/90/41/1071029041.db2.gz CQHWRMVIFZGUMI-NRFANRHFSA-N 1 0 471.627 3.698 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC001313724370 1071030684 /nfs/dbraw/zinc/03/06/84/1071030684.db2.gz TUGDBRGJFBMRJX-HSZRJFAPSA-N 1 0 489.668 3.579 20 0 JHADRO CN(Cc1cscn1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001314769516 1071031427 /nfs/dbraw/zinc/03/14/27/1071031427.db2.gz OFHFQZMORQMKSG-IBGZPJMESA-N 1 0 489.690 3.971 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313722772 1071027413 /nfs/dbraw/zinc/02/74/13/1071027413.db2.gz IIHARYBLASYEBT-HXUWFJFHSA-N 1 0 479.673 3.862 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001313722569 1071027421 /nfs/dbraw/zinc/02/74/21/1071027421.db2.gz AZRBIOYBCZHPPJ-HXUWFJFHSA-N 1 0 468.621 3.727 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001313724882 1071031590 /nfs/dbraw/zinc/03/15/90/1071031590.db2.gz SXFHCMGPLIUUEO-KCZVDYSFSA-N 1 0 490.718 3.941 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001313725181 1071032083 /nfs/dbraw/zinc/03/20/83/1071032083.db2.gz GSICIEWKLFRSGW-OFNKIYASSA-N 1 0 473.637 3.963 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](COC)C1 ZINC001313725622 1071033174 /nfs/dbraw/zinc/03/31/74/1071033174.db2.gz MRLSTUNSDKJZNU-NJDAHSKKSA-N 1 0 478.682 3.596 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001313725725 1071033656 /nfs/dbraw/zinc/03/36/56/1071033656.db2.gz PLXUEUVRYNQSSX-OAQYLSRUSA-N 1 0 488.702 3.567 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCCN(C(=O)c3cccc(F)c3)CC2)nnc1C(C)(C)C ZINC001313726385 1071035139 /nfs/dbraw/zinc/03/51/39/1071035139.db2.gz HYBJUTQTCSTSJS-LJQANCHMSA-N 1 0 458.626 3.798 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC001313726743 1071035689 /nfs/dbraw/zinc/03/56/89/1071035689.db2.gz PVKHKLYKBDXYCJ-CUYJMHBOSA-N 1 0 484.689 3.676 20 0 JHADRO CN(Cc1cscn1)c1nnc(COc2ccc(F)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314771470 1071036147 /nfs/dbraw/zinc/03/61/47/1071036147.db2.gz TYBYLSDOZUFJDP-IBGZPJMESA-N 1 0 456.547 3.985 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313727659 1071037680 /nfs/dbraw/zinc/03/76/80/1071037680.db2.gz XPZFSFNDXXBEDR-MDZRGWNJSA-N 1 0 473.515 3.883 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001313727621 1071037761 /nfs/dbraw/zinc/03/77/61/1071037761.db2.gz WBFYREPXAUBXFR-TZIWHRDSSA-N 1 0 489.064 3.832 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313727828 1071038199 /nfs/dbraw/zinc/03/81/99/1071038199.db2.gz INOMQOZDAWVOPV-JOCHJYFZSA-N 1 0 468.690 3.878 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(-c2cccc(C)n2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313728210 1071038832 /nfs/dbraw/zinc/03/88/32/1071038832.db2.gz DBOYOOAFAULFOG-UHFFFAOYSA-N 1 0 483.611 3.979 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnccn2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001313728980 1071041225 /nfs/dbraw/zinc/04/12/25/1071041225.db2.gz QXTIZUNVPCHCGW-SFTDATJTSA-N 1 0 490.656 3.584 20 0 JHADRO C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001309991059 1071041253 /nfs/dbraw/zinc/04/12/53/1071041253.db2.gz KJRHJMFHXZGPKV-CEXWTWQISA-N 1 0 456.612 3.643 20 0 JHADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC001309991672 1071041892 /nfs/dbraw/zinc/04/18/92/1071041892.db2.gz XKISDFCXZKDMSB-CVDCTZTESA-N 1 0 456.612 3.850 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccncc2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314775075 1071044927 /nfs/dbraw/zinc/04/49/27/1071044927.db2.gz JVCYBZVTOOLBCL-UHFFFAOYSA-N 1 0 471.053 3.942 20 0 JHADRO CN(Cc1ccon1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314776370 1071048158 /nfs/dbraw/zinc/04/81/58/1071048158.db2.gz OCYLLDHPGUHJAX-KRWDZBQOSA-N 1 0 474.363 3.566 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001313731016 1071046057 /nfs/dbraw/zinc/04/60/57/1071046057.db2.gz DJSUINAGFLGYOE-DOTOQJQBSA-N 1 0 451.040 3.845 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313731407 1071047105 /nfs/dbraw/zinc/04/71/05/1071047105.db2.gz LAMAAKLSYAKXGF-JZXOWHBKSA-N 1 0 495.093 3.858 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccccc2F)n1CC[N@H+](C)C1CCCCC1 ZINC001314777108 1071049468 /nfs/dbraw/zinc/04/94/68/1071049468.db2.gz KEVWQZQXXHZGNR-UHFFFAOYSA-N 1 0 476.551 3.842 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(CCc2ccccc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001313732365 1071049637 /nfs/dbraw/zinc/04/96/37/1071049637.db2.gz DVNGPWQRJLTGCL-HSZRJFAPSA-N 1 0 460.047 3.871 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(CC(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001313734394 1071054202 /nfs/dbraw/zinc/05/42/02/1071054202.db2.gz PYGXRHBRNHLGRG-UHFFFAOYSA-N 1 0 496.700 3.850 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001313734456 1071054358 /nfs/dbraw/zinc/05/43/58/1071054358.db2.gz RHWFVEGXBKJYAN-VWNXMTODSA-N 1 0 482.673 3.631 20 0 JHADRO C[C@H]1C[C@@H](CCNC(=O)Nc2ccccc2C(=O)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC001310014582 1071058938 /nfs/dbraw/zinc/05/89/38/1071058938.db2.gz ZIQXSJPFWQNLOQ-RBBKRZOGSA-N 1 0 450.583 3.581 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](CC(C)C)C(=O)Nc3nccs3)c(C)c2)CC1 ZINC001310017928 1071062502 /nfs/dbraw/zinc/06/25/02/1071062502.db2.gz BOJZVUBYPVBPJI-HXUWFJFHSA-N 1 0 458.632 3.768 20 0 JHADRO CN(CC1CC1)c1nnc(-c2cccc(Br)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314785588 1071062635 /nfs/dbraw/zinc/06/26/35/1071062635.db2.gz GFOXZEPZCCZIEG-FQEVSTJZSA-N 1 0 450.450 3.991 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](c3cnn(C)c3)c3ccc(F)cc3)c(C)c2)CC1 ZINC001310018003 1071063045 /nfs/dbraw/zinc/06/30/45/1071063045.db2.gz BZAKBEYGHMZBGS-DEOSSOPVSA-N 1 0 450.562 3.921 20 0 JHADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC001310018804 1071063387 /nfs/dbraw/zinc/06/33/87/1071063387.db2.gz HHPLZAGBJDZFRL-UHFFFAOYSA-N 1 0 458.006 3.559 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc(Cc2ccccn2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313740478 1071065624 /nfs/dbraw/zinc/06/56/24/1071065624.db2.gz CBYDAOMRSVOHDL-UHFFFAOYSA-N 1 0 462.642 3.834 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC001310020081 1071064600 /nfs/dbraw/zinc/06/46/00/1071064600.db2.gz RUURUKWFGPXFEV-IBGZPJMESA-N 1 0 451.011 3.579 20 0 JHADRO CN(CC1CCCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[NH+]1CCCCCC1 ZINC001314792498 1071070186 /nfs/dbraw/zinc/07/01/86/1071070186.db2.gz RRNOMRDAAMLZSB-UHFFFAOYSA-N 1 0 459.660 3.851 20 0 JHADRO CCN(Cc1cccs1)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001313747381 1071076869 /nfs/dbraw/zinc/07/68/69/1071076869.db2.gz GMHRENGRICUPGE-SBUREZEXSA-N 1 0 459.591 3.712 20 0 JHADRO CC(C)[NH+](CCCNC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)C(C)C ZINC001310043308 1071080074 /nfs/dbraw/zinc/08/00/74/1071080074.db2.gz OYFYEPPPYONQBW-PMACEKPBSA-N 1 0 452.665 3.984 20 0 JHADRO CN(C[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CC=CCC2)C1)C(=O)OC(C)(C)C ZINC001314800090 1071079233 /nfs/dbraw/zinc/07/92/33/1071079233.db2.gz GJOUVMQWWUWSLH-YADHBBJMSA-N 1 0 488.677 3.865 20 0 JHADRO C[N@H+](Cc1ccccc1NC(=O)NCCS(=O)(=O)NCc1ccccc1)C1CCCCC1 ZINC001310044601 1071081218 /nfs/dbraw/zinc/08/12/18/1071081218.db2.gz WPUDIDRURIWRKM-UHFFFAOYSA-N 1 0 458.628 3.692 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc(Cc2c(F)cccc2F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314800955 1071081510 /nfs/dbraw/zinc/08/15/10/1071081510.db2.gz HCSHHDJNIKQMRY-GAJHUEQPSA-N 1 0 465.614 3.590 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001313750296 1071081625 /nfs/dbraw/zinc/08/16/25/1071081625.db2.gz DJQZBGXEIZHGOL-QHCPKHFHSA-N 1 0 490.077 3.804 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)C[C@H](C)O1 ZINC001310051824 1071086203 /nfs/dbraw/zinc/08/62/03/1071086203.db2.gz ZLRQIWSBXOFKRA-KDURUIRLSA-N 1 0 450.583 3.852 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314803317 1071087074 /nfs/dbraw/zinc/08/70/74/1071087074.db2.gz FURSMOIQFWDJDS-DBYOASNMSA-N 1 0 465.708 3.639 20 0 JHADRO COc1ccc(CN(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)[C@H](CO)C(C)C)cc1 ZINC001310060626 1071091328 /nfs/dbraw/zinc/09/13/28/1071091328.db2.gz VFNTUTJBJQKQPP-RUZDIDTESA-N 1 0 454.615 3.806 20 0 JHADRO CCN(Cc1cccs1)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001313751936 1071087845 /nfs/dbraw/zinc/08/78/45/1071087845.db2.gz JGKFRFNHYRBJDA-HSZRJFAPSA-N 1 0 473.668 3.734 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001313754219 1071092583 /nfs/dbraw/zinc/09/25/83/1071092583.db2.gz WIJDUEALQYTUMC-UHFFFAOYSA-N 1 0 497.445 3.906 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001313755686 1071096301 /nfs/dbraw/zinc/09/63/01/1071096301.db2.gz XSAZJCSIIQJAGV-LJQANCHMSA-N 1 0 456.664 3.514 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(CCc2ccccc2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313755232 1071095233 /nfs/dbraw/zinc/09/52/33/1071095233.db2.gz NPPWYJFYLRUIBM-VXKWHMMOSA-N 1 0 479.673 3.711 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccccc2F)n1CCC[NH+]1CCC(C)CC1 ZINC001313755917 1071096950 /nfs/dbraw/zinc/09/69/50/1071096950.db2.gz SLESIFVLFROJAJ-UHFFFAOYSA-N 1 0 453.610 3.890 20 0 JHADRO CCN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc([C@H]2CCCO2)n1CC[N@H+](CC)C(C)C ZINC001313756323 1071098699 /nfs/dbraw/zinc/09/86/99/1071098699.db2.gz BOIBFFHJGXYHLA-QGZVFWFLSA-N 1 0 459.620 3.597 20 0 JHADRO CCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001313766373 1071114221 /nfs/dbraw/zinc/11/42/21/1071114221.db2.gz ZLPHSAKBIREELQ-FQEVSTJZSA-N 1 0 476.666 3.697 20 0 JHADRO CNC(=O)c1ccc(NC(=O)NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)c(C)c1 ZINC001310108981 1071123244 /nfs/dbraw/zinc/12/32/44/1071123244.db2.gz NSGWINWOKTVRAQ-WOJBJXKFSA-N 1 0 452.599 3.685 20 0 JHADRO CN(C)c1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(C(F)(F)F)c1 ZINC001310106121 1071120990 /nfs/dbraw/zinc/12/09/90/1071120990.db2.gz VQNJVPGLDKDZRW-YLJYHZDGSA-N 1 0 450.505 3.776 20 0 JHADRO CN(C)c1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c(C(F)(F)F)c1 ZINC001310105477 1071121104 /nfs/dbraw/zinc/12/11/04/1071121104.db2.gz LZTGUYBUPRXJLT-UWJYYQICSA-N 1 0 450.505 3.776 20 0 JHADRO COc1ccc(NC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)cc1N1CCCCC1=O ZINC001310116261 1071128587 /nfs/dbraw/zinc/12/85/87/1071128587.db2.gz UWWOXCJHTSPZEB-QFIPXVFZSA-N 1 0 450.583 3.993 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314818368 1071127841 /nfs/dbraw/zinc/12/78/41/1071127841.db2.gz CBIVPGGWQGYZLO-HSZRJFAPSA-N 1 0 480.078 3.871 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001313778831 1071140286 /nfs/dbraw/zinc/14/02/86/1071140286.db2.gz YRQUSWPYVFCROD-TZIWHRDSSA-N 1 0 457.619 3.700 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001313781120 1071145541 /nfs/dbraw/zinc/14/55/41/1071145541.db2.gz SFMBDYQVWMLBDP-VABKMULXSA-N 1 0 457.619 3.837 20 0 JHADRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC001310129385 1071140989 /nfs/dbraw/zinc/14/09/89/1071140989.db2.gz HYLBYVCYVNVXDX-CYFREDJKSA-N 1 0 451.615 3.785 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(CCc2ccccc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313779322 1071141786 /nfs/dbraw/zinc/14/17/86/1071141786.db2.gz XPNPCGMJQWNGMA-ZDXQCDESSA-N 1 0 469.674 3.956 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001313778828 1071140358 /nfs/dbraw/zinc/14/03/58/1071140358.db2.gz YRQUSWPYVFCROD-CTNGQTDRSA-N 1 0 457.619 3.700 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(-c2cnccn2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001314823944 1071146187 /nfs/dbraw/zinc/14/61/87/1071146187.db2.gz HZTYJMUWZJIBFA-LJQANCHMSA-N 1 0 459.520 3.688 20 0 JHADRO CCOc1cc(C)ccc1NC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC001310151349 1071157364 /nfs/dbraw/zinc/15/73/64/1071157364.db2.gz OWFCQCJDPJXTNF-UHFFFAOYSA-N 1 0 452.599 3.886 20 0 JHADRO CN(CCC(F)F)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCCC1 ZINC001314828519 1071156033 /nfs/dbraw/zinc/15/60/33/1071156033.db2.gz ZITXBGZMXGREIL-UHFFFAOYSA-N 1 0 470.609 3.970 20 0 JHADRO CCN(C[C@@H]1COc2ccccc2O1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001313784663 1071156901 /nfs/dbraw/zinc/15/69/01/1071156901.db2.gz FWXGBBILMNABHQ-YPAWHYETSA-N 1 0 471.646 3.815 20 0 JHADRO CCN(C[C@@H]1COc2ccccc2O1)c1nnc(CC(C)C)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313783956 1071153449 /nfs/dbraw/zinc/15/34/49/1071153449.db2.gz BRINXFBTEYQTOY-FDFHNCONSA-N 1 0 471.646 3.642 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCC[N@@H+]2CC)C1)CC(F)(F)F ZINC001313788174 1071172988 /nfs/dbraw/zinc/17/29/88/1071172988.db2.gz ZFPHEZKNVAAPOJ-HBMCJLEFSA-N 1 0 486.627 3.757 20 0 JHADRO CN(CCC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314837445 1071179919 /nfs/dbraw/zinc/17/99/19/1071179919.db2.gz YMSFOABMRRFUJB-PMACEKPBSA-N 1 0 488.633 3.719 20 0 JHADRO CN(C(=O)Nc1cc(N2CCCC2=O)ccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001310171003 1071177686 /nfs/dbraw/zinc/17/76/86/1071177686.db2.gz WMUSHEXEGHTQCB-GOTSBHOMSA-N 1 0 459.610 3.753 20 0 JHADRO CN(C(=O)Nc1cc(N2CCCC2=O)ccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001310171007 1071177744 /nfs/dbraw/zinc/17/77/44/1071177744.db2.gz WMUSHEXEGHTQCB-XZOQPEGZSA-N 1 0 459.610 3.753 20 0 JHADRO CN(CCC1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314840710 1071188309 /nfs/dbraw/zinc/18/83/09/1071188309.db2.gz KLKKIPYPTIPPOC-NRFANRHFSA-N 1 0 488.702 3.643 20 0 JHADRO CCOc1cc(Br)c(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1OCC ZINC001310186949 1071192981 /nfs/dbraw/zinc/19/29/81/1071192981.db2.gz NYNCGXGRDWRBPI-CQSZACIVSA-N 1 0 458.397 3.555 20 0 JHADRO CCN(CCC1CC1)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001313795376 1071193820 /nfs/dbraw/zinc/19/38/20/1071193820.db2.gz YFNCGMGMJIGVCQ-NRFANRHFSA-N 1 0 466.399 3.540 20 0 JHADRO CN(CCCc1ccccn1)c1nnc(Cc2ccc(F)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314843093 1071194159 /nfs/dbraw/zinc/19/41/59/1071194159.db2.gz UPYWBNRROOBMQR-RUZDIDTESA-N 1 0 468.646 3.909 20 0 JHADRO COC(=O)COc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001310199231 1071202215 /nfs/dbraw/zinc/20/22/15/1071202215.db2.gz RKSGDMIRCXPCSM-UHFFFAOYSA-N 1 0 453.461 3.853 20 0 JHADRO CC[N@H+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)C(C)C ZINC001313801078 1071204697 /nfs/dbraw/zinc/20/46/97/1071204697.db2.gz BBSANKFMNNDMBV-AJSBUHFISA-N 1 0 475.609 3.672 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](Oc2ccccn2)C1)C(C)C ZINC001313802033 1071207090 /nfs/dbraw/zinc/20/70/90/1071207090.db2.gz BVPFGKURWBJHOM-GOSISDBHSA-N 1 0 488.434 3.819 20 0 JHADRO C[N@H+](CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCS(=O)CC1)C1CCCCC1 ZINC001314848051 1071207155 /nfs/dbraw/zinc/20/71/55/1071207155.db2.gz ANALEIYCNCWYPZ-UHFFFAOYSA-N 1 0 450.052 3.822 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001314848832 1071209986 /nfs/dbraw/zinc/20/99/86/1071209986.db2.gz NKBXHSKBHTWYIO-HSZRJFAPSA-N 1 0 491.684 3.937 20 0 JHADRO CC[N@H+](CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)C(C)C ZINC001313803492 1071211193 /nfs/dbraw/zinc/21/11/93/1071211193.db2.gz YCPGFAFQXLZALK-FQRUVTKNSA-N 1 0 499.635 3.773 20 0 JHADRO CN(CCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CC2CCCCC2)CC1)CC(F)(F)F ZINC001314849419 1071211929 /nfs/dbraw/zinc/21/19/29/1071211929.db2.gz CLVOFWGGEJDQKI-NRFANRHFSA-N 1 0 486.627 3.759 20 0 JHADRO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001314849708 1071213421 /nfs/dbraw/zinc/21/34/21/1071213421.db2.gz XVZBLRFMQNNCMJ-FQEVSTJZSA-N 1 0 455.006 3.988 20 0 JHADRO COc1ccc(OC)c([C@@H](O)[C@@H](C)NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC001310217937 1071214920 /nfs/dbraw/zinc/21/49/20/1071214920.db2.gz NUBNTCHMARRYTB-HXOBKFHXSA-N 1 0 459.612 3.539 20 0 JHADRO CC[N@H+](CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C(N)=O)CC1)C(C)C ZINC001313804462 1071215216 /nfs/dbraw/zinc/21/52/16/1071215216.db2.gz AJWMHCFMSSGSKJ-KRWDZBQOSA-N 1 0 458.676 3.563 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@](C)(CC)C1)C1CC1 ZINC001313805393 1071219349 /nfs/dbraw/zinc/21/93/49/1071219349.db2.gz PCNWHMHSUXGRAI-NRFANRHFSA-N 1 0 465.440 3.536 20 0 JHADRO 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CC(C)(C)OC(=O)Cc1cccc(NC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001310363949 1071340395 /nfs/dbraw/zinc/34/03/95/1071340395.db2.gz PJMBMAPVHKAGEQ-UHFFFAOYSA-N 1 0 453.583 3.719 20 0 JHADRO CCn1cccc(Cn2c(CSc3ccccc3OC)nnc2N2CCC([NH2+]C(C)C)CC2)c1=O ZINC001313848528 1071341798 /nfs/dbraw/zinc/34/17/98/1071341798.db2.gz BSXFDJOCIKZCPT-UHFFFAOYSA-N 1 0 496.681 3.776 20 0 JHADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(C(C)(C)C)n3C[C@](C)(O)c3ccccc3Cl)CC2)cn1 ZINC001314905491 1071344601 /nfs/dbraw/zinc/34/46/01/1071344601.db2.gz ZDVOZOSDVBXJMC-VWLOTQADSA-N 1 0 486.064 3.583 20 0 JHADRO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC001310368797 1071345560 /nfs/dbraw/zinc/34/55/60/1071345560.db2.gz WODPGZVTJUOGGC-LJQANCHMSA-N 1 0 458.603 3.536 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCSCC(F)(F)F ZINC001314913103 1071353876 /nfs/dbraw/zinc/35/38/76/1071353876.db2.gz ASOZOUCTDDFNQI-KRWDZBQOSA-N 1 0 456.582 3.891 20 0 JHADRO COC(=O)c1ccc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1C(=O)OC ZINC001310380664 1071355087 /nfs/dbraw/zinc/35/50/87/1071355087.db2.gz PIOQZLOPMHXEDR-IAGOWNOFSA-N 1 0 453.539 3.538 20 0 JHADRO COC(=O)c1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1C(=O)OC ZINC001310380164 1071354632 /nfs/dbraw/zinc/35/46/32/1071354632.db2.gz MBKLTIURPUBZSF-UHFFFAOYSA-N 1 0 453.539 3.958 20 0 JHADRO CNC(=O)c1cc(Oc2cc(NC(=O)N3CC([N@H+](C)Cc4ccccc4)C3)ccc2C)ccn1 ZINC001310376105 1071350922 /nfs/dbraw/zinc/35/09/22/1071350922.db2.gz AHJDXPQKUGZOQE-UHFFFAOYSA-N 1 0 459.550 3.890 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1Cc1cc(F)ccc1F ZINC001314915222 1071356771 /nfs/dbraw/zinc/35/67/71/1071356771.db2.gz HNOOFHCEGHJQRP-UHFFFAOYSA-N 1 0 498.500 3.701 20 0 JHADRO O=C(Nc1ccc(F)cc1I)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001310388255 1071360860 /nfs/dbraw/zinc/36/08/60/1071360860.db2.gz MSOOYLKVTADSDK-UHFFFAOYSA-N 1 0 454.287 3.611 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC001313858738 1071361361 /nfs/dbraw/zinc/36/13/61/1071361361.db2.gz HRQLMRCYEGIXJZ-SJORKVTESA-N 1 0 464.536 3.500 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(C)nc4ccccc43)n2CCCCCS(C)(=O)=O)C[C@H]1C ZINC001313858952 1071361736 /nfs/dbraw/zinc/36/17/36/1071361736.db2.gz CVGOVUJEGNNRRV-RTWAWAEBSA-N 1 0 498.697 3.936 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)C[C@@H]1C ZINC001313858750 1071362028 /nfs/dbraw/zinc/36/20/28/1071362028.db2.gz HURZHRAFVZNWFP-FKBYEOEOSA-N 1 0 454.663 3.589 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314922710 1071366089 /nfs/dbraw/zinc/36/60/89/1071366089.db2.gz GVYCNUDTWCLLFV-IBGZPJMESA-N 1 0 497.850 3.521 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CCCOCCOC)C[C@@H]1C ZINC001313859620 1071365239 /nfs/dbraw/zinc/36/52/39/1071365239.db2.gz HHPWMCWFEPBFAT-RBUKOAKNSA-N 1 0 494.478 3.988 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001313859628 1071365630 /nfs/dbraw/zinc/36/56/30/1071365630.db2.gz HIHKDZMYNJWCHS-FKBYEOEOSA-N 1 0 468.690 3.882 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCCOCC(F)F ZINC001314917775 1071360716 /nfs/dbraw/zinc/36/07/16/1071360716.db2.gz MJXITXNUOFPUJO-UHFFFAOYSA-N 1 0 458.557 3.668 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)CC)C[C@@H]1C ZINC001313860197 1071367382 /nfs/dbraw/zinc/36/73/82/1071367382.db2.gz KJJFDFCPVMAXLI-OALUTQOASA-N 1 0 476.691 3.551 20 0 JHADRO CN(Cc1csc(Br)c1)c1nnc(-c2ccccc2F)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314925001 1071367439 /nfs/dbraw/zinc/36/74/39/1071367439.db2.gz YSNAECMHAZKCMT-FQEVSTJZSA-N 1 0 480.407 3.611 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC(F)(F)C2)C[C@@H]1C ZINC001313860093 1071367673 /nfs/dbraw/zinc/36/76/73/1071367673.db2.gz IZPUGAWUMJGNJS-STQMWFEESA-N 1 0 457.367 4.000 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001314926219 1071369314 /nfs/dbraw/zinc/36/93/14/1071369314.db2.gz DHKMAILQOOBLDP-OAQYLSRUSA-N 1 0 458.695 3.826 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001314926809 1071369957 /nfs/dbraw/zinc/36/99/57/1071369957.db2.gz FINVRBYQBYBIIX-SFHVURJKSA-N 1 0 464.536 3.808 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)O)C[C@H]1C ZINC001313860912 1071371968 /nfs/dbraw/zinc/37/19/68/1071371968.db2.gz NEXQEHPXORRWNA-CVEARBPZSA-N 1 0 450.425 3.706 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001314928914 1071371212 /nfs/dbraw/zinc/37/12/12/1071371212.db2.gz QCUXCUGVRWDGBE-OAQYLSRUSA-N 1 0 458.695 3.968 20 0 JHADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC001310408410 1071372497 /nfs/dbraw/zinc/37/24/97/1071372497.db2.gz QLESENCBUHCZFO-WOJBJXKFSA-N 1 0 458.628 3.749 20 0 JHADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001310408737 1071372537 /nfs/dbraw/zinc/37/25/37/1071372537.db2.gz SRVNSVHDLZMAEN-MSYCTHLASA-N 1 0 458.628 3.796 20 0 JHADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC001310408408 1071372704 /nfs/dbraw/zinc/37/27/04/1071372704.db2.gz QLESENCBUHCZFO-VQTJNVASSA-N 1 0 458.628 3.749 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001314929558 1071372643 /nfs/dbraw/zinc/37/26/43/1071372643.db2.gz VQBCPDGHAVUZHU-HXUWFJFHSA-N 1 0 480.078 3.732 20 0 JHADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC001310409204 1071374051 /nfs/dbraw/zinc/37/40/51/1071374051.db2.gz ZAOHLEDWMDPBEX-WOJBJXKFSA-N 1 0 450.649 3.883 20 0 JHADRO CN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(C)(C)C[NH+]2CCCC2)CC1=O ZINC001314931043 1071374241 /nfs/dbraw/zinc/37/42/41/1071374241.db2.gz YUAXAMUQZNSFGT-UHFFFAOYSA-N 1 0 495.455 3.564 20 0 JHADRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(Cl)cc3Br)cn2)CC1 ZINC001310410932 1071374664 /nfs/dbraw/zinc/37/46/64/1071374664.db2.gz GIQYSXYPQYGBEF-UHFFFAOYSA-N 1 0 452.784 3.961 20 0 JHADRO CS(=O)(=O)Cc1cc(F)ccc1NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001310412350 1071375693 /nfs/dbraw/zinc/37/56/93/1071375693.db2.gz QZXSWCANMPYRMA-UHFFFAOYSA-N 1 0 459.587 3.890 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2ccnc2C)C[C@H]1C ZINC001313863674 1071382396 /nfs/dbraw/zinc/38/23/96/1071382396.db2.gz WJWFYYOWEQSYGP-NHCUHLMSSA-N 1 0 478.645 3.661 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313862661 1071378521 /nfs/dbraw/zinc/37/85/21/1071378521.db2.gz IMDNTCRGWWRGER-RBUKOAKNSA-N 1 0 494.644 3.993 20 0 JHADRO CC[C@@H](CNC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001310421289 1071380240 /nfs/dbraw/zinc/38/02/40/1071380240.db2.gz RAFALSDYZXZCBA-DEOSSOPVSA-N 1 0 450.583 3.554 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[NH+](C(C)C)CC1 ZINC001314933597 1071380485 /nfs/dbraw/zinc/38/04/85/1071380485.db2.gz FFZNZPYDAYQGHC-UHFFFAOYSA-N 1 0 497.869 3.664 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)C(C)C)C[C@H]1C ZINC001313863954 1071384303 /nfs/dbraw/zinc/38/43/03/1071384303.db2.gz KWRGPPWFSCIDGO-RTBURBONSA-N 1 0 465.646 3.793 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCc2nccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313864789 1071388591 /nfs/dbraw/zinc/38/85/91/1071388591.db2.gz HDAFAVRSSUKYIY-GJZGRUSLSA-N 1 0 494.953 3.964 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001314936518 1071386034 /nfs/dbraw/zinc/38/60/34/1071386034.db2.gz GROOCNXIPSOGJP-UHFFFAOYSA-N 1 0 467.445 3.945 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC)c(OC(F)F)c2)C[C@H]1C ZINC001313864273 1071386302 /nfs/dbraw/zinc/38/63/02/1071386302.db2.gz BWWCTZUSEXFAGL-WSTZPKSXSA-N 1 0 493.599 3.944 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313864545 1071386971 /nfs/dbraw/zinc/38/69/71/1071386971.db2.gz FZJBQOPKGIAGHM-SJORKVTESA-N 1 0 471.005 3.978 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314937475 1071387880 /nfs/dbraw/zinc/38/78/80/1071387880.db2.gz WIRTYUUIDTVUDM-NRFANRHFSA-N 1 0 496.059 3.867 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001314938117 1071388841 /nfs/dbraw/zinc/38/88/41/1071388841.db2.gz VMYFVWAKUSPIDH-REWPJTCUSA-N 1 0 475.641 3.602 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)C[C@H]1C ZINC001313865207 1071391323 /nfs/dbraw/zinc/39/13/23/1071391323.db2.gz WNTKDWWFKBYLAY-CEXWTWQISA-N 1 0 474.625 3.781 20 0 JHADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)N2CCC(c3ccncn3)CC2)ccc1Cl ZINC001310444911 1071393844 /nfs/dbraw/zinc/39/38/44/1071393844.db2.gz HCEYVRPSPSZUTN-UHFFFAOYSA-N 1 0 458.994 3.613 20 0 JHADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccc1Cl ZINC001310444308 1071393978 /nfs/dbraw/zinc/39/39/78/1071393978.db2.gz BPLOZWMSIJZSCG-PWIZWCRZSA-N 1 0 451.011 3.737 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)c(COC)c2)C[C@@H]1C ZINC001313865033 1071390422 /nfs/dbraw/zinc/39/04/22/1071390422.db2.gz NOONWIVBOBINFK-OALUTQOASA-N 1 0 452.578 3.901 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cccc(COC(C)(C)C)c2)C[C@@H]1C ZINC001313866350 1071395963 /nfs/dbraw/zinc/39/59/63/1071395963.db2.gz FYLJLMOVDQHXCF-SFTDATJTSA-N 1 0 482.673 3.683 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313866598 1071396501 /nfs/dbraw/zinc/39/65/01/1071396501.db2.gz KEMCXEFEPAURHS-SFTDATJTSA-N 1 0 498.672 3.674 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001314946552 1071405586 /nfs/dbraw/zinc/40/55/86/1071405586.db2.gz TWSRFUFBNDUBHX-ROUUACIJSA-N 1 0 477.053 3.547 20 0 JHADRO 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CC[N@@H+]1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2C[C@@](C)(O)c2ccco2)C[C@@H]1C ZINC001313871205 1071416831 /nfs/dbraw/zinc/41/68/31/1071416831.db2.gz YCNROFXLABPEKS-ISJBWFOZSA-N 1 0 451.615 3.873 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001313872275 1071421064 /nfs/dbraw/zinc/42/10/64/1071421064.db2.gz VZYTYQVSNLZDQA-URVUXULASA-N 1 0 483.661 3.669 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313872509 1071421859 /nfs/dbraw/zinc/42/18/59/1071421859.db2.gz AXBDWFIZTTXADD-QYZOEREBSA-N 1 0 498.569 3.799 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2CCc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001313872570 1071422105 /nfs/dbraw/zinc/42/21/05/1071422105.db2.gz WWAGIIUJTAERET-LNLFQRSKSA-N 1 0 451.537 3.962 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCc2c(F)cccc2F)C[C@@H]1C ZINC001313873054 1071423644 /nfs/dbraw/zinc/42/36/44/1071423644.db2.gz BQOCCNGBUQDPIF-RBUKOAKNSA-N 1 0 457.573 3.580 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001314953606 1071425022 /nfs/dbraw/zinc/42/50/22/1071425022.db2.gz WEUSKPHIMXPQMV-QZTJIDSGSA-N 1 0 491.478 3.790 20 0 JHADRO Cc1cc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)nn1-c1ccc(Cl)cc1Cl ZINC001310483243 1071425122 /nfs/dbraw/zinc/42/51/22/1071425122.db2.gz RJSUXVCFACDFLF-LJQANCHMSA-N 1 0 453.418 3.881 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCCCCS(C)(=O)=O)C[C@H]1C ZINC001313874080 1071426912 /nfs/dbraw/zinc/42/69/12/1071426912.db2.gz MKZRZFHAKAUSBW-MOPGFXCFSA-N 1 0 482.094 3.656 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCc2nnc(C)s2)C[C@@H]1C ZINC001313874013 1071426950 /nfs/dbraw/zinc/42/69/50/1071426950.db2.gz FTFICUXZJUOMOT-OALUTQOASA-N 1 0 469.659 3.795 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(C)cc2)C[C@H]1C ZINC001313874765 1071430512 /nfs/dbraw/zinc/43/05/12/1071430512.db2.gz KBDDVWIMXPIOON-UXHICEINSA-N 1 0 482.654 3.576 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCCC2)C[C@H]1C ZINC001313874738 1071430553 /nfs/dbraw/zinc/43/05/53/1071430553.db2.gz JVQADUFSPKBYIC-MOPGFXCFSA-N 1 0 474.675 3.538 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(C)cc2)C[C@@H]1C ZINC001313874762 1071430600 /nfs/dbraw/zinc/43/06/00/1071430600.db2.gz KBDDVWIMXPIOON-PMACEKPBSA-N 1 0 482.654 3.576 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001313876522 1071438374 /nfs/dbraw/zinc/43/83/74/1071438374.db2.gz LJIOCVRFGARERJ-UHFFFAOYSA-N 1 0 490.599 3.773 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001313876555 1071438484 /nfs/dbraw/zinc/43/84/84/1071438484.db2.gz LSOGDCUWONLZHJ-ONTIZHBOSA-N 1 0 489.636 3.919 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2ccc(F)cc2)C[C@H]1C ZINC001313876867 1071439359 /nfs/dbraw/zinc/43/93/59/1071439359.db2.gz SNYWXXIKQQRFHA-HSALFYBXSA-N 1 0 452.578 3.789 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CC(=O)NC2CCCCC2)C[C@@H]1C ZINC001313875487 1071434792 /nfs/dbraw/zinc/43/47/92/1071434792.db2.gz LYCVRXGBMFXZBW-SFTDATJTSA-N 1 0 468.646 3.533 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001313875570 1071435204 /nfs/dbraw/zinc/43/52/04/1071435204.db2.gz AGGHPERNSARMBI-WMZHIEFXSA-N 1 0 486.636 3.784 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCNC(=O)CC2)CC1 ZINC001313875886 1071436126 /nfs/dbraw/zinc/43/61/26/1071436126.db2.gz FUYCQXGDHLULJX-SFHVURJKSA-N 1 0 475.037 3.520 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313877931 1071443213 /nfs/dbraw/zinc/44/32/13/1071443213.db2.gz XWBVWOKYCJNIAO-CUXKYVRBSA-N 1 0 483.661 3.905 20 0 JHADRO CCN1C[C@@H](CN(C)c2nnc([C@H]3CCCCO3)n2CC(C)(C)C[NH+](C)C)Oc2ccccc21 ZINC001313878286 1071444459 /nfs/dbraw/zinc/44/44/59/1071444459.db2.gz XGKSSHACNFRJSS-NFBKMPQASA-N 1 0 470.662 3.831 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313879026 1071446729 /nfs/dbraw/zinc/44/67/29/1071446729.db2.gz XYUSSVVRFOSSGY-CABCVRRESA-N 1 0 465.549 3.706 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001314967784 1071454179 /nfs/dbraw/zinc/45/41/79/1071454179.db2.gz ADAKPZXJOLHVRG-VWLOTQADSA-N 1 0 473.065 3.607 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCC[NH+]2CCCCC2)C1 ZINC001314969522 1071456194 /nfs/dbraw/zinc/45/61/94/1071456194.db2.gz JPKKAZREPIPHRS-SANMLTNESA-N 1 0 488.627 3.766 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(O)cc2)C[C@@H]1C ZINC001313882442 1071458431 /nfs/dbraw/zinc/45/84/31/1071458431.db2.gz FXQGKXNPOSUYPJ-YUVXSKOASA-N 1 0 498.672 3.916 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001313882880 1071459735 /nfs/dbraw/zinc/45/97/35/1071459735.db2.gz ARHRMUJRGBNMLR-PZJWPPBQSA-N 1 0 486.636 3.594 20 0 JHADRO CC[NH+]1CCC(CCn2c(CC3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001313882838 1071459778 /nfs/dbraw/zinc/45/97/78/1071459778.db2.gz NEWMKFLQCFRZCP-UHFFFAOYSA-N 1 0 458.695 3.828 20 0 JHADRO CC[NH+]1CCC(CCn2c(CCc3ccccc3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001313883319 1071461375 /nfs/dbraw/zinc/46/13/75/1071461375.db2.gz SCEDYBNZXPBKLY-QHCPKHFHSA-N 1 0 453.631 3.575 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001314973753 1071462751 /nfs/dbraw/zinc/46/27/51/1071462751.db2.gz MRYQUBDDVFONIH-JPYJTQIMSA-N 1 0 473.046 3.925 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)Cc2scnc2C)C1 ZINC001313884397 1071463262 /nfs/dbraw/zinc/46/32/62/1071463262.db2.gz OVZRTPIYDLLVNA-GOSISDBHSA-N 1 0 488.061 3.605 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccc(Cl)cc2)C[C@@H]1C ZINC001313884476 1071464252 /nfs/dbraw/zinc/46/42/52/1071464252.db2.gz LVOWUHASYBUPJG-WEMPKCCASA-N 1 0 478.037 3.653 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2occc2C)C[C@H]1C ZINC001313884528 1071464326 /nfs/dbraw/zinc/46/43/26/1071464326.db2.gz MHEPIUSPHPLXRI-WTGUMLROSA-N 1 0 472.634 3.917 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CC2CCCC2)C1 ZINC001313884688 1071465000 /nfs/dbraw/zinc/46/50/00/1071465000.db2.gz RNRUCTXVCZNUKO-HXUWFJFHSA-N 1 0 459.038 3.830 20 0 JHADRO CCN(CC1CCC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001313884934 1071465039 /nfs/dbraw/zinc/46/50/39/1071465039.db2.gz VHLVMYYAFPQXJW-FQEVSTJZSA-N 1 0 459.038 3.830 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H](OC)C(C)(C)C)C[C@H]1C ZINC001313885401 1071467211 /nfs/dbraw/zinc/46/72/11/1071467211.db2.gz OWGFONRKOCIDQQ-XQBPLPMBSA-N 1 0 459.635 3.846 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[C@@H]2CCO[C@@H](C)C2)C[C@@H]1C ZINC001313885824 1071468218 /nfs/dbraw/zinc/46/82/18/1071468218.db2.gz PXLIBPCZWGKWMR-MYGLTJDJSA-N 1 0 471.646 3.990 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3OC)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313886067 1071468898 /nfs/dbraw/zinc/46/88/98/1071468898.db2.gz LXOGPISIJAVWKR-PMACEKPBSA-N 1 0 484.645 3.741 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(-c3cccn3C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001314976377 1071469006 /nfs/dbraw/zinc/46/90/06/1071469006.db2.gz MXAPRVBEMSDAQK-SFTDATJTSA-N 1 0 477.657 3.648 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(O)(CC)CC)C[C@@H]1C ZINC001313886328 1071469954 /nfs/dbraw/zinc/46/99/54/1071469954.db2.gz RTDUIFIUOWKZRX-ZGXWSNOMSA-N 1 0 478.682 3.519 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC001313887000 1071471363 /nfs/dbraw/zinc/47/13/63/1071471363.db2.gz GQUVMGFUFQFKOO-FQEVSTJZSA-N 1 0 462.683 3.950 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001313887107 1071472390 /nfs/dbraw/zinc/47/23/90/1071472390.db2.gz TVZHLFKSMGNFBY-SFHVURJKSA-N 1 0 479.044 3.626 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313887204 1071472467 /nfs/dbraw/zinc/47/24/67/1071472467.db2.gz HISYXBSRMJZJNQ-RBBKRZOGSA-N 1 0 468.646 3.623 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C2CCC(NC(C)=O)CC2)C1 ZINC001313888019 1071474947 /nfs/dbraw/zinc/47/49/47/1071474947.db2.gz FQZJQIKWOBKJOT-KKXNLOMOSA-N 1 0 477.028 3.963 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001313887994 1071475005 /nfs/dbraw/zinc/47/50/05/1071475005.db2.gz FMDXNAOWMGUGHS-QGZVFWFLSA-N 1 0 479.456 3.946 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313887844 1071474115 /nfs/dbraw/zinc/47/41/15/1071474115.db2.gz LILUYRNWXHSCQC-PZJWPPBQSA-N 1 0 489.064 3.968 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 ZINC001313888882 1071478514 /nfs/dbraw/zinc/47/85/14/1071478514.db2.gz FPLYZDXWBOPKLE-XZOQPEGZSA-N 1 0 482.673 3.509 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC[N@H+](CC)C2)C1)CC(F)(F)F ZINC001313892336 1071486977 /nfs/dbraw/zinc/48/69/77/1071486977.db2.gz XXMWTRYVODQZDJ-RBUKOAKNSA-N 1 0 468.568 3.899 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCn1cccn1 ZINC001313892099 1071486221 /nfs/dbraw/zinc/48/62/21/1071486221.db2.gz BQOHZWKFOHPUCS-KRWDZBQOSA-N 1 0 476.398 3.664 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCc2ccc(Br)cc2C1 ZINC001313892017 1071486332 /nfs/dbraw/zinc/48/63/32/1071486332.db2.gz BEKFRANORBERGN-LAUBAEHRSA-N 1 0 492.462 3.812 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313893994 1071491855 /nfs/dbraw/zinc/49/18/55/1071491855.db2.gz RQAZLJHWRGMOCS-NHCUHLMSSA-N 1 0 486.636 3.736 20 0 JHADRO CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(CC(C)C)n3CCC[N@H+](C)C3CCCCC3)C2)n1 ZINC001314984173 1071490366 /nfs/dbraw/zinc/49/03/66/1071490366.db2.gz BNXFOQWWXRIYHQ-JOCHJYFZSA-N 1 0 484.693 3.529 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](COC)C1 ZINC001313893613 1071490788 /nfs/dbraw/zinc/49/07/88/1071490788.db2.gz OZVCEMGWMLBYRN-DLBZAZTESA-N 1 0 478.435 3.673 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001313893593 1071490839 /nfs/dbraw/zinc/49/08/39/1071490839.db2.gz OSUPDEJPTUXGPC-FMWKFLBASA-N 1 0 463.648 3.514 20 0 JHADRO CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(CC(C)C)n3CC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)C2)n1 ZINC001314985690 1071492928 /nfs/dbraw/zinc/49/29/28/1071492928.db2.gz RIQJOHGDYMVURZ-YPAWHYETSA-N 1 0 498.720 3.631 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001313894313 1071493379 /nfs/dbraw/zinc/49/33/79/1071493379.db2.gz VADUEEHQDDXDQT-YESZJQIVSA-N 1 0 478.435 3.814 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001314987154 1071498055 /nfs/dbraw/zinc/49/80/55/1071498055.db2.gz AFHAZGCMYYIJDJ-RBBKRZOGSA-N 1 0 454.663 3.740 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC001314987071 1071498104 /nfs/dbraw/zinc/49/81/04/1071498104.db2.gz APPANTMVLYEGLC-DHIUTWEWSA-N 1 0 466.674 3.975 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](OCCOC)C1 ZINC001313896386 1071499557 /nfs/dbraw/zinc/49/95/57/1071499557.db2.gz ONQUIOPRHQAERO-UXHICEINSA-N 1 0 492.462 3.742 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314989232 1071503327 /nfs/dbraw/zinc/50/33/27/1071503327.db2.gz OQFZYYMKDUBQEI-NSHGMRRFSA-N 1 0 488.080 3.712 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2csc(Br)c2)C1 ZINC001313897682 1071503585 /nfs/dbraw/zinc/50/35/85/1071503585.db2.gz WKVHABHWDMZZSU-QGZVFWFLSA-N 1 0 492.491 3.942 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC001313898889 1071506009 /nfs/dbraw/zinc/50/60/09/1071506009.db2.gz CXBNNFKNYZFLCL-HSZRJFAPSA-N 1 0 496.700 3.641 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001313899024 1071507283 /nfs/dbraw/zinc/50/72/83/1071507283.db2.gz UDTZTXQOOPQOMD-HNNXBMFYSA-N 1 0 456.454 3.709 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001313899488 1071508041 /nfs/dbraw/zinc/50/80/41/1071508041.db2.gz IPKHQPVOCPSGBN-GOSISDBHSA-N 1 0 457.573 3.618 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001314994202 1071510872 /nfs/dbraw/zinc/51/08/72/1071510872.db2.gz RNZRYBZKOZHTPV-OALUTQOASA-N 1 0 459.038 3.825 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001314994692 1071511475 /nfs/dbraw/zinc/51/14/75/1071511475.db2.gz NVASDWWNFBZTMQ-WOJBJXKFSA-N 1 0 482.673 3.600 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313902325 1071513337 /nfs/dbraw/zinc/51/33/37/1071513337.db2.gz FYLWVUZQIBFOIW-TZRRMPRUSA-N 1 0 484.689 3.504 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313904313 1071517523 /nfs/dbraw/zinc/51/75/23/1071517523.db2.gz TURVFRIZKSZDTC-YADHBBJMSA-N 1 0 452.647 3.726 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001313905029 1071520508 /nfs/dbraw/zinc/52/05/08/1071520508.db2.gz SNFJLTVLOJBDJX-IBGZPJMESA-N 1 0 456.660 3.937 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315001002 1071523830 /nfs/dbraw/zinc/52/38/30/1071523830.db2.gz ASSDODFCGXZXCV-OYRHEFFESA-N 1 0 458.695 3.731 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(N2CCCN(C(=O)c3ccccc3F)CC2)nnc1C(C)(C)C ZINC001313906420 1071524243 /nfs/dbraw/zinc/52/42/43/1071524243.db2.gz QUAPQJMRPLRBIC-IBGZPJMESA-N 1 0 456.610 3.552 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313905941 1071522935 /nfs/dbraw/zinc/52/29/35/1071522935.db2.gz WETKABXWTAVOQB-TZIWHRDSSA-N 1 0 469.630 3.638 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSC(C)(C)C1 ZINC001313907057 1071525874 /nfs/dbraw/zinc/52/58/74/1071525874.db2.gz WEBYHRNFHFWQSE-CEXWTWQISA-N 1 0 478.707 3.865 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCSCC1 ZINC001313908624 1071530122 /nfs/dbraw/zinc/53/01/22/1071530122.db2.gz AAQDUDNJPUUTNU-HXUWFJFHSA-N 1 0 478.707 3.820 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313908532 1071530307 /nfs/dbraw/zinc/53/03/07/1071530307.db2.gz CYWDCPFCCNPEKI-PMACEKPBSA-N 1 0 471.650 3.604 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001313910637 1071536550 /nfs/dbraw/zinc/53/65/50/1071536550.db2.gz XUMYZPSSPXXIAW-HSZRJFAPSA-N 1 0 453.631 3.717 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001313910093 1071534107 /nfs/dbraw/zinc/53/41/07/1071534107.db2.gz UYGRLCPRLIDNLR-DUXKGJEZSA-N 1 0 492.462 3.822 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001313910139 1071534633 /nfs/dbraw/zinc/53/46/33/1071534633.db2.gz VEJNCNUSCHFQSC-NZQKXSOJSA-N 1 0 480.579 3.668 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001313910451 1071535293 /nfs/dbraw/zinc/53/52/93/1071535293.db2.gz KFZYQBYKGSKZPM-GOSISDBHSA-N 1 0 483.558 3.545 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001313910584 1071535981 /nfs/dbraw/zinc/53/59/81/1071535981.db2.gz XCISZNVTXZLXDZ-RTBURBONSA-N 1 0 463.001 3.717 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313911998 1071538978 /nfs/dbraw/zinc/53/89/78/1071538978.db2.gz GPUDZHHBJLUJNE-RBUKOAKNSA-N 1 0 498.569 3.943 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313912337 1071540106 /nfs/dbraw/zinc/54/01/06/1071540106.db2.gz HPKWHOJSMQZIKV-NCXUSEDFSA-N 1 0 473.584 3.839 20 0 JHADRO CCN1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCCCC2)CC1=O ZINC001313913118 1071542479 /nfs/dbraw/zinc/54/24/79/1071542479.db2.gz IPSYVWYYGMBYDE-HSZRJFAPSA-N 1 0 482.673 3.970 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1=O ZINC001313913912 1071545373 /nfs/dbraw/zinc/54/53/73/1071545373.db2.gz QOFVPDFXRLNPAV-UUOWRZLLSA-N 1 0 474.053 3.563 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001315024235 1071546739 /nfs/dbraw/zinc/54/67/39/1071546739.db2.gz OCPLNVUCZSDMMX-UHFFFAOYSA-N 1 0 470.637 3.625 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313913368 1071542937 /nfs/dbraw/zinc/54/29/37/1071542937.db2.gz XUNAGAYIMACXLU-UXHICEINSA-N 1 0 469.634 3.708 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001313913599 1071543827 /nfs/dbraw/zinc/54/38/27/1071543827.db2.gz QCMYVGSBOBNUKC-IFMALSPDSA-N 1 0 477.650 3.609 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313916499 1071553097 /nfs/dbraw/zinc/55/30/97/1071553097.db2.gz YGJDZVCSDJBIHX-KNQAVFIVSA-N 1 0 473.584 3.972 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313919582 1071557599 /nfs/dbraw/zinc/55/75/99/1071557599.db2.gz CRGUVOOMQOUIIE-HKUYNNGSSA-N 1 0 480.629 3.514 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N(C)Cc2ccccc2N2CCCC2)CC1 ZINC001313920674 1071559426 /nfs/dbraw/zinc/55/94/26/1071559426.db2.gz LKFHJYROTWZACP-JOCHJYFZSA-N 1 0 453.679 3.664 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001315029940 1071558912 /nfs/dbraw/zinc/55/89/12/1071558912.db2.gz NXKPYDBXMNPMHT-UHFFFAOYSA-N 1 0 454.663 3.741 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313920998 1071560775 /nfs/dbraw/zinc/56/07/75/1071560775.db2.gz NJDFCDYTRFCBTQ-LJQANCHMSA-N 1 0 484.670 3.686 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)CC2CCOCC2)CC1 ZINC001313921195 1071561427 /nfs/dbraw/zinc/56/14/27/1071561427.db2.gz OYLANOGBFRCLLR-VWNXMTODSA-N 1 0 498.716 3.924 20 0 JHADRO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313921492 1071561861 /nfs/dbraw/zinc/56/18/61/1071561861.db2.gz MXAIFPYBNDJRQB-GGAORHGYSA-N 1 0 482.673 3.653 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313922338 1071564510 /nfs/dbraw/zinc/56/45/10/1071564510.db2.gz VTIHYPMTPPHSEK-SFTDATJTSA-N 1 0 470.662 3.615 20 0 JHADRO CCN1CCCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1=O ZINC001313922633 1071565717 /nfs/dbraw/zinc/56/57/17/1071565717.db2.gz VPTMCASNUXDZPN-WOJBJXKFSA-N 1 0 472.703 3.746 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[NH+]1CCCCC1 ZINC001315037342 1071570166 /nfs/dbraw/zinc/57/01/66/1071570166.db2.gz SRWMDJWXKZSISN-GOSISDBHSA-N 1 0 458.676 3.580 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001315034707 1071567000 /nfs/dbraw/zinc/56/70/00/1071567000.db2.gz KAHSFSRTRMBAIM-WZONZLPQSA-N 1 0 482.654 3.671 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccccc2Br)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315035675 1071568614 /nfs/dbraw/zinc/56/86/14/1071568614.db2.gz SYHXWJGDYSTRRL-SBUREZEXSA-N 1 0 491.478 3.790 20 0 JHADRO CCN1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[NH+](CC)CC)CC1=O ZINC001313924321 1071569632 /nfs/dbraw/zinc/56/96/32/1071569632.db2.gz GHRGEWKJKXESJJ-HXUWFJFHSA-N 1 0 458.676 3.668 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313924844 1071572025 /nfs/dbraw/zinc/57/20/25/1071572025.db2.gz JUVUIKUHDVOADN-IBGZPJMESA-N 1 0 468.671 3.986 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001313925368 1071573264 /nfs/dbraw/zinc/57/32/64/1071573264.db2.gz PDOATOWCVUBGEV-OALUTQOASA-N 1 0 471.650 3.807 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313925761 1071574892 /nfs/dbraw/zinc/57/48/92/1071574892.db2.gz AGMFSZNTIMNMBB-FCHUYYIVSA-N 1 0 477.657 3.881 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CC3)nnc2N(C)Cc2csc(Br)c2)CC1 ZINC001313926356 1071576414 /nfs/dbraw/zinc/57/64/14/1071576414.db2.gz FKBHHMYZASEDRP-MRXNPFEDSA-N 1 0 481.508 3.717 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cccs2)CC1 ZINC001313926772 1071577579 /nfs/dbraw/zinc/57/75/79/1071577579.db2.gz XYJBXJBCRBYNKG-LJQANCHMSA-N 1 0 454.644 3.678 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313927292 1071579270 /nfs/dbraw/zinc/57/92/70/1071579270.db2.gz KIHLNEPIBZDIMM-HXUWFJFHSA-N 1 0 458.626 3.649 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313927760 1071581330 /nfs/dbraw/zinc/58/13/30/1071581330.db2.gz LUKPAQQIJKYCKG-NOZRDPDXSA-N 1 0 452.691 3.962 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001313927544 1071580541 /nfs/dbraw/zinc/58/05/41/1071580541.db2.gz MANQHYSUQNYPDU-FQEVSTJZSA-N 1 0 461.054 3.773 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315057287 1071582383 /nfs/dbraw/zinc/58/23/83/1071582383.db2.gz QMJCCJSRHAKWTA-LJQANCHMSA-N 1 0 474.053 3.572 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001313928282 1071583120 /nfs/dbraw/zinc/58/31/20/1071583120.db2.gz TYSXSBDMKVDHQW-WNCULLNHSA-N 1 0 484.689 3.505 20 0 JHADRO COC(=O)[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001315084062 1071592514 /nfs/dbraw/zinc/59/25/14/1071592514.db2.gz RYWHHIAOTYQFET-NRFANRHFSA-N 1 0 484.645 3.655 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@H+](C)C(C)C)C1 ZINC001315077427 1071588465 /nfs/dbraw/zinc/58/84/65/1071588465.db2.gz IUOWNQGCXLLRCX-MSOLQXFVSA-N 1 0 459.660 3.861 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001315084151 1071592572 /nfs/dbraw/zinc/59/25/72/1071592572.db2.gz IKYBANONNYCWFE-NRFANRHFSA-N 1 0 469.630 3.738 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2csc(C(C)C)n2)C[C@@H]1C ZINC001313931539 1071592380 /nfs/dbraw/zinc/59/23/80/1071592380.db2.gz FHAKINOCVKETTQ-CYFREDJKSA-N 1 0 476.691 3.672 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001315081963 1071590704 /nfs/dbraw/zinc/59/07/04/1071590704.db2.gz PIGXFHJDWONTMR-RBBKRZOGSA-N 1 0 464.614 3.584 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313930956 1071591173 /nfs/dbraw/zinc/59/11/73/1071591173.db2.gz OWCIMGJNWJHRBF-ZWKOTPCHSA-N 1 0 486.558 3.972 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCN2CCCCC2=O)C[C@@H]1C ZINC001313933416 1071597598 /nfs/dbraw/zinc/59/75/98/1071597598.db2.gz LKLPFAVXAYEESO-SFHVURJKSA-N 1 0 489.462 3.641 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001313931854 1071594269 /nfs/dbraw/zinc/59/42/69/1071594269.db2.gz ZYVGKGDOEMKZKI-LJQANCHMSA-N 1 0 486.039 3.719 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001313932369 1071595086 /nfs/dbraw/zinc/59/50/86/1071595086.db2.gz VGXGZWWFNSEAHP-SVFBPWRDSA-N 1 0 489.064 3.860 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(F)c(F)c2F)C[C@H]1C ZINC001313932557 1071595787 /nfs/dbraw/zinc/59/57/87/1071595787.db2.gz IHTBSALGUJSVKW-OSPHWJPCSA-N 1 0 481.563 3.509 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(N(C)[C@H](C)CCSC)nnc3C(C)(C)C)cn2)CC1 ZINC001313934779 1071603490 /nfs/dbraw/zinc/60/34/90/1071603490.db2.gz SMMRZEMTVIGHPX-LJQANCHMSA-N 1 0 459.708 3.739 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(F)cccc2Cl)C[C@@H]1C ZINC001313933899 1071599766 /nfs/dbraw/zinc/59/97/66/1071599766.db2.gz OKKSKXGTNXLQDU-SBUREZEXSA-N 1 0 466.001 3.690 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCOC2)C[C@@H]1C ZINC001313934243 1071601927 /nfs/dbraw/zinc/60/19/27/1071601927.db2.gz QSIBLCJBRCSAHD-JKSUJKDBSA-N 1 0 466.399 3.804 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2(O)CCC2)C[C@@H]1C ZINC001313935047 1071604305 /nfs/dbraw/zinc/60/43/05/1071604305.db2.gz VLGHHJCOHULDEL-HNNXBMFYSA-N 1 0 466.399 3.682 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313935597 1071606610 /nfs/dbraw/zinc/60/66/10/1071606610.db2.gz IVSNVDLIRNUZCK-INIZCTEOSA-N 1 0 471.403 3.690 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCCn2ccnc2C)C[C@H]1C ZINC001313936227 1071607878 /nfs/dbraw/zinc/60/78/78/1071607878.db2.gz NQVVZDQQXOHRBT-QGZVFWFLSA-N 1 0 472.435 3.833 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313936459 1071608514 /nfs/dbraw/zinc/60/85/14/1071608514.db2.gz OFIWTGDCGISHCC-HAGHYFMRSA-N 1 0 457.619 3.696 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCOc2ccc(Cl)cn2)C[C@H]1C ZINC001313937863 1071611550 /nfs/dbraw/zinc/61/15/50/1071611550.db2.gz WNJSAELSMBFQQL-QGZVFWFLSA-N 1 0 487.004 3.620 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC001313940536 1071615621 /nfs/dbraw/zinc/61/56/21/1071615621.db2.gz NGONWNSLGBXMNI-KRWDZBQOSA-N 1 0 458.969 3.666 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313939007 1071612635 /nfs/dbraw/zinc/61/26/35/1071612635.db2.gz ZQBSENKGRUYRBF-YPAWHYETSA-N 1 0 490.693 3.882 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC001313940502 1071614701 /nfs/dbraw/zinc/61/47/01/1071614701.db2.gz MRSSWMSKTWURCY-KRWDZBQOSA-N 1 0 485.430 3.614 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001313941320 1071616957 /nfs/dbraw/zinc/61/69/57/1071616957.db2.gz BJFSMDFGAWFLDI-QHCPKHFHSA-N 1 0 498.716 3.930 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC2(OC)CCC2)C[C@@H]1C ZINC001313941851 1071618144 /nfs/dbraw/zinc/61/81/44/1071618144.db2.gz AMNQDNUPAHLNPB-SLFFLAALSA-N 1 0 476.666 3.538 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313941837 1071618204 /nfs/dbraw/zinc/61/82/04/1071618204.db2.gz YBYQVWZJUPGFHG-OALUTQOASA-N 1 0 476.691 3.964 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Sc2ccccc2)C[C@H]1C ZINC001313943068 1071621906 /nfs/dbraw/zinc/62/19/06/1071621906.db2.gz PDHIQQCMKYALEP-RTWAWAEBSA-N 1 0 453.660 3.851 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCCC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C[C@H]1C ZINC001313943475 1071623134 /nfs/dbraw/zinc/62/31/34/1071623134.db2.gz STGSUYWAMVZXJF-VGOFRKELSA-N 1 0 451.537 3.916 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CSCCS2)C[C@H]1C ZINC001313943623 1071623246 /nfs/dbraw/zinc/62/32/46/1071623246.db2.gz UJTZSUYNCROEDX-CTNGQTDRSA-N 1 0 461.701 3.853 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCN2CCOCC2)C[C@H]1C ZINC001313943959 1071623740 /nfs/dbraw/zinc/62/37/40/1071623740.db2.gz XNYLOFWHLBJRPL-HSZRJFAPSA-N 1 0 484.689 3.542 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313944219 1071624482 /nfs/dbraw/zinc/62/44/82/1071624482.db2.gz BYYQHGRNQMQXJH-GOSISDBHSA-N 1 0 469.431 3.914 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNc2ccccn2)C[C@H]1C ZINC001313947128 1071631205 /nfs/dbraw/zinc/63/12/05/1071631205.db2.gz FQWLIEIWGYJXGV-RTWAWAEBSA-N 1 0 498.676 3.778 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CSc4ccc(C)cc4)n3CCOC(C)C)C2)CC1 ZINC001313947871 1071632819 /nfs/dbraw/zinc/63/28/19/1071632819.db2.gz DBPWEUUFUVNEQW-QFIPXVFZSA-N 1 0 472.703 3.520 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001313950752 1071639446 /nfs/dbraw/zinc/63/94/46/1071639446.db2.gz QNLRGTORTACJIJ-RTWAWAEBSA-N 1 0 475.081 3.735 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313950432 1071638010 /nfs/dbraw/zinc/63/80/10/1071638010.db2.gz VUOSXLNSZTYEDN-JXHRLWIKSA-N 1 0 471.646 3.793 20 0 JHADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001313951467 1071642256 /nfs/dbraw/zinc/64/22/56/1071642256.db2.gz ILXXZQKOCBFTNF-UHFFFAOYSA-N 1 0 467.456 3.811 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313951653 1071643060 /nfs/dbraw/zinc/64/30/60/1071643060.db2.gz APPULZLDTPQSAQ-RTWAWAEBSA-N 1 0 465.621 3.950 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(C)(C)C)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001313951885 1071643624 /nfs/dbraw/zinc/64/36/24/1071643624.db2.gz MACDEPDCDUQBDT-JOCHJYFZSA-N 1 0 497.732 3.578 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001313952046 1071643656 /nfs/dbraw/zinc/64/36/56/1071643656.db2.gz XHMOHPOCJFXDIP-UXHICEINSA-N 1 0 475.081 3.876 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001313951886 1071643742 /nfs/dbraw/zinc/64/37/42/1071643742.db2.gz MACDEPDCDUQBDT-QFIPXVFZSA-N 1 0 497.732 3.578 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cscn2)CC1 ZINC001313952208 1071644776 /nfs/dbraw/zinc/64/47/76/1071644776.db2.gz YGPAIRYSHDBDAX-SFHVURJKSA-N 1 0 474.078 3.965 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCCCC2)CC1 ZINC001313952544 1071645739 /nfs/dbraw/zinc/64/57/39/1071645739.db2.gz ROSJWOZMNDWMSK-YTFSRNRJSA-N 1 0 460.711 3.851 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC001313953481 1071648855 /nfs/dbraw/zinc/64/88/55/1071648855.db2.gz GNNQLIBZYHXHMY-UHFFFAOYSA-N 1 0 494.688 3.570 20 0 JHADRO CCN1CC[NH+](CCCCn2c(COc3cccc(C)c3)nnc2N2CCCC2(C)C)CC1 ZINC001313954607 1071652505 /nfs/dbraw/zinc/65/25/05/1071652505.db2.gz SCFPJNBUJCBJAI-UHFFFAOYSA-N 1 0 454.663 3.962 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313954644 1071652540 /nfs/dbraw/zinc/65/25/40/1071652540.db2.gz QJLFBAGSMYFMFK-HXUWFJFHSA-N 1 0 461.605 3.548 20 0 JHADRO CCN1CC[NH+](CCCCn2c(N3CCC(OC4CCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001313954643 1071652548 /nfs/dbraw/zinc/65/25/48/1071652548.db2.gz SYUSEPNTXVRLOE-UHFFFAOYSA-N 1 0 460.711 3.921 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001313955199 1071652855 /nfs/dbraw/zinc/65/28/55/1071652855.db2.gz QJNAHHRLOFCNST-NFBKMPQASA-N 1 0 472.653 3.609 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cn3nc(C)cc3C)nnc2N(C)c2cccc(C)c2)CC1 ZINC001313954887 1071652928 /nfs/dbraw/zinc/65/29/28/1071652928.db2.gz WJCLWMZGENUUQT-UHFFFAOYSA-N 1 0 464.662 3.634 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(c3ccc(O)cc3)CC2)CC1 ZINC001313955785 1071656867 /nfs/dbraw/zinc/65/68/67/1071656867.db2.gz IMNHQHBTONDLOD-JOCHJYFZSA-N 1 0 468.690 3.840 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccsc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313954903 1071653713 /nfs/dbraw/zinc/65/37/13/1071653713.db2.gz WXUZYLPRGOTALC-BGYRXZFFSA-N 1 0 462.733 3.678 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313955052 1071654319 /nfs/dbraw/zinc/65/43/19/1071654319.db2.gz DTOWZLMPBFKJFQ-PZJWPPBQSA-N 1 0 478.607 3.763 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313956088 1071657533 /nfs/dbraw/zinc/65/75/33/1071657533.db2.gz KGAWKBASUNHLJX-OFNKIYASSA-N 1 0 486.730 3.689 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCc3c(F)cc(F)cc3C2)CC1 ZINC001313956769 1071657978 /nfs/dbraw/zinc/65/79/78/1071657978.db2.gz MZNHKQATCLAMSS-LJQANCHMSA-N 1 0 460.617 3.591 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCC3(CCOCC3)C2)CC1 ZINC001313957588 1071660739 /nfs/dbraw/zinc/66/07/39/1071660739.db2.gz QPMRSQOGTZYOHK-JOCHJYFZSA-N 1 0 460.711 3.537 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001313958126 1071663069 /nfs/dbraw/zinc/66/30/69/1071663069.db2.gz UJKFYMMGUXXZTH-ZRBLBEILSA-N 1 0 486.730 3.769 20 0 JHADRO CC[NH+]1CCN(CCCn2c(N3CC[C@@H](c4ccc(OC)cc4)C3)nnc2C(C)(C)C)CC1 ZINC001313958459 1071663959 /nfs/dbraw/zinc/66/39/59/1071663959.db2.gz CGADYOMKZHOQIF-JOCHJYFZSA-N 1 0 454.663 3.606 20 0 JHADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)CC1 ZINC001313960077 1071668757 /nfs/dbraw/zinc/66/87/57/1071668757.db2.gz HDQKDNCXVRJWFP-HXUWFJFHSA-N 1 0 489.734 3.761 20 0 JHADRO CCn1nc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H](C)[NH+]2CCC(C)CC2)c2ccccc2c1=O ZINC001313959948 1071668812 /nfs/dbraw/zinc/66/88/12/1071668812.db2.gz CUSJTZKZMDQFIK-QGZVFWFLSA-N 1 0 491.562 3.794 20 0 JHADRO CCn1nc(-c2nnc(N(C)Cc3ccccn3)n2CC[NH+](C(C)C)C(C)C)c2ccccc2c1=O ZINC001313960122 1071669301 /nfs/dbraw/zinc/66/93/01/1071669301.db2.gz DYRTYMBFCPWIQQ-UHFFFAOYSA-N 1 0 488.640 3.825 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(Cl)c3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001313960637 1071670483 /nfs/dbraw/zinc/67/04/83/1071670483.db2.gz MCWUPMBQPYACJJ-LJQANCHMSA-N 1 0 461.054 3.630 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001313973500 1071700592 /nfs/dbraw/zinc/70/05/92/1071700592.db2.gz YETXOSQZVDZXHK-UHFFFAOYSA-N 1 0 486.636 3.613 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313974074 1071701920 /nfs/dbraw/zinc/70/19/20/1071701920.db2.gz OLVGFWDPYPTBSL-NFBKMPQASA-N 1 0 466.674 3.882 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313977292 1071710221 /nfs/dbraw/zinc/71/02/21/1071710221.db2.gz LLCPLEIIVBLGEA-IBGZPJMESA-N 1 0 458.676 3.572 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001313977384 1071710813 /nfs/dbraw/zinc/71/08/13/1071710813.db2.gz MPYGVLYDARVAEQ-RBUKOAKNSA-N 1 0 488.702 3.660 20 0 JHADRO CCNC(=O)C1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3ccccc3C)CC2)CCC1 ZINC001313978134 1071712122 /nfs/dbraw/zinc/71/21/22/1071712122.db2.gz BTTOXFGVWXKVAI-UHFFFAOYSA-N 1 0 466.674 3.804 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(CC)nnc2N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC001313985500 1071723601 /nfs/dbraw/zinc/72/36/01/1071723601.db2.gz UEJGPPVPYQFXGL-JOCHJYFZSA-N 1 0 452.647 3.731 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2C[NH+](CC)CC)CC1 ZINC001313993387 1071727762 /nfs/dbraw/zinc/72/77/62/1071727762.db2.gz GCVOQHNVPKWFJI-UHFFFAOYSA-N 1 0 479.629 3.588 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001313994483 1071729986 /nfs/dbraw/zinc/72/99/86/1071729986.db2.gz WJVUZJJMBDRHNR-UPVQGACJSA-N 1 0 481.689 3.936 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001313997161 1071734441 /nfs/dbraw/zinc/73/44/41/1071734441.db2.gz JPZUBEAKYDYGOX-UHFFFAOYSA-N 1 0 474.053 3.572 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001313996993 1071734478 /nfs/dbraw/zinc/73/44/78/1071734478.db2.gz RVIJWBQQCWIVPC-UHFFFAOYSA-N 1 0 492.672 3.854 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001314012891 1071749069 /nfs/dbraw/zinc/74/90/69/1071749069.db2.gz AODKBIKIWCSQNL-NHCUHLMSSA-N 1 0 484.645 3.502 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+](C)C(C)C)CC1 ZINC001314015095 1071756769 /nfs/dbraw/zinc/75/67/69/1071756769.db2.gz CHZXYEGKMMNAHY-UHFFFAOYSA-N 1 0 474.625 3.795 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001314018390 1071765307 /nfs/dbraw/zinc/76/53/07/1071765307.db2.gz MNCTVSABZUNIEW-OAQYLSRUSA-N 1 0 483.661 3.586 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001314019805 1071769579 /nfs/dbraw/zinc/76/95/79/1071769579.db2.gz MCXIGUBBFZYVSI-LJQANCHMSA-N 1 0 476.025 3.537 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001314020020 1071770152 /nfs/dbraw/zinc/77/01/52/1071770152.db2.gz SJGYNSBFNBETBU-SFHVURJKSA-N 1 0 481.016 3.992 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001314022225 1071775975 /nfs/dbraw/zinc/77/59/75/1071775975.db2.gz JCQAUXAFBYRWHP-NRFANRHFSA-N 1 0 481.645 3.605 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001314026219 1071787944 /nfs/dbraw/zinc/78/79/44/1071787944.db2.gz KSNRVVTYJPGHIC-NRFANRHFSA-N 1 0 471.650 3.587 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccccc2F)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001314026585 1071789455 /nfs/dbraw/zinc/78/94/55/1071789455.db2.gz RUTGHFHHSAOURK-MOPGFXCFSA-N 1 0 460.598 3.775 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001314027279 1071792217 /nfs/dbraw/zinc/79/22/17/1071792217.db2.gz DNWRCBRNHSQYDD-PMACEKPBSA-N 1 0 458.607 3.682 20 0 JHADRO 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JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccsc2)[NH+](CC)CC)C1 ZINC001314044774 1071858103 /nfs/dbraw/zinc/85/81/03/1071858103.db2.gz VSEQJMPLDLWVPA-PCCBWWKXSA-N 1 0 490.674 3.989 20 0 JHADRO CCO[C@H](CCn1c(C2CCCC2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)C(C)C ZINC001314060687 1071896569 /nfs/dbraw/zinc/89/65/69/1071896569.db2.gz QNSGUVAXVVBCQW-GVXSCFBNSA-N 1 0 488.721 3.766 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCCC2)CCOC1 ZINC001314075946 1071932981 /nfs/dbraw/zinc/93/29/81/1071932981.db2.gz XWVIDKXSMKLTMI-UMEGOILYSA-N 1 0 459.610 3.999 20 0 JHADRO CCO[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC([NH+](CC)CC)CC1)c1ccccc1 ZINC001314076579 1071934043 /nfs/dbraw/zinc/93/40/43/1071934043.db2.gz YXYFVRRUGQDMDJ-HSZRJFAPSA-N 1 0 468.646 3.603 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3ccccc3OC)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCOC1 ZINC001314082898 1071947182 /nfs/dbraw/zinc/94/71/82/1071947182.db2.gz QVPOWDFFENEYRE-QFQXNSOFSA-N 1 0 471.646 3.696 20 0 JHADRO 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CCO[C@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001314099102 1071980944 /nfs/dbraw/zinc/98/09/44/1071980944.db2.gz PVNAOPLAGUBKQT-JIPXPUAJSA-N 1 0 485.673 3.845 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CCc2ccccc2OC(F)F)CCOC1 ZINC001314101492 1071985893 /nfs/dbraw/zinc/98/58/93/1071985893.db2.gz DFQQRLBWTYGXAE-MPCDZSKCSA-N 1 0 493.599 3.693 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CCC2CC(OC(C)(C)C)C2)CCOC1 ZINC001314105903 1071996341 /nfs/dbraw/zinc/99/63/41/1071996341.db2.gz WNLSROICLKZFTJ-RBVZKXTNSA-N 1 0 477.694 3.833 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001314108571 1072001332 /nfs/dbraw/zinc/00/13/32/1072001332.db2.gz QBIXOBQPUDLXLP-XMSQKQJNSA-N 1 0 473.584 3.831 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(C)=C(Br)C3)n2CC[NH+](C(C)C)C(C)C)CCOC1 ZINC001314108772 1072001657 /nfs/dbraw/zinc/00/16/57/1072001657.db2.gz OFLILJHVJQJXOY-QFIPXVFZSA-N 1 0 484.483 3.928 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[C@H](c4ccc(F)cc4)C3)n2CC[N@H+](C)[C@@H](C)CC)CCOC1 ZINC001314109375 1072002375 /nfs/dbraw/zinc/00/23/75/1072002375.db2.gz AMKKDXPSIVXEMA-QYXIYQDXSA-N 1 0 459.610 3.794 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[C@@H](c4ccc(F)cc4)C3)n2CC[N@H+](C)[C@H](C)CC)CCOC1 ZINC001314109372 1072002395 /nfs/dbraw/zinc/00/23/95/1072002395.db2.gz AMKKDXPSIVXEMA-DZRGJMJISA-N 1 0 459.610 3.794 20 0 JHADRO CCO[C@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H](c2ccccc2)[NH+](C)C)CCOC1 ZINC001314107807 1071999453 /nfs/dbraw/zinc/99/94/53/1071999453.db2.gz VLFGNOHILAORCN-NZQKXSOJSA-N 1 0 479.547 3.932 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H](CC)[NH+]2CCCC2)CCOC1 ZINC001314107844 1071999993 /nfs/dbraw/zinc/99/99/93/1071999993.db2.gz VZCYSGIJJHXYPL-RXVVDRJESA-N 1 0 457.541 3.503 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ccc(OC)c(Cl)c2)CCOC1 ZINC001314116914 1072016292 /nfs/dbraw/zinc/01/62/92/1072016292.db2.gz LSHLZKJWIUPKDV-DEOSSOPVSA-N 1 0 478.037 3.607 20 0 JHADRO 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CCc1nnc(N(CC)CCc2cccs2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001306096482 1068516961 /nfs/dbraw/zinc/51/69/61/1068516961.db2.gz NDYABLAMCBOPLN-UHFFFAOYSA-N 1 0 453.656 3.976 20 0 JHADRO CCc1nnc(N(CC)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001306098946 1068517501 /nfs/dbraw/zinc/51/75/01/1068517501.db2.gz NHPZBTRSVFBIIM-LJQANCHMSA-N 1 0 481.626 3.889 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001306118385 1068525276 /nfs/dbraw/zinc/52/52/76/1068525276.db2.gz QTJKCRHPQZFKHM-FCHUYYIVSA-N 1 0 466.674 3.836 20 0 JHADRO CCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001306118475 1068525788 /nfs/dbraw/zinc/52/57/88/1068525788.db2.gz IEBPGYVIMHOQFA-UHFFFAOYSA-N 1 0 455.651 3.908 20 0 JHADRO CCc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306122239 1068531059 /nfs/dbraw/zinc/53/10/59/1068531059.db2.gz FPKOFPRRXOSAAJ-GLDPYIMESA-N 1 0 473.637 3.817 20 0 JHADRO CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306134538 1068537517 /nfs/dbraw/zinc/53/75/17/1068537517.db2.gz OTJOWQGPXJQNFF-SFTDATJTSA-N 1 0 458.695 3.874 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001306141705 1068542869 /nfs/dbraw/zinc/54/28/69/1068542869.db2.gz IQBDREJPGMCKTH-DEOSSOPVSA-N 1 0 494.640 3.761 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001306143299 1068545304 /nfs/dbraw/zinc/54/53/04/1068545304.db2.gz HNSDVJHDFZIWTO-JOCHJYFZSA-N 1 0 455.651 3.997 20 0 JHADRO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001306157164 1068555360 /nfs/dbraw/zinc/55/53/60/1068555360.db2.gz NBSPZVLWXCYUOH-RTWAWAEBSA-N 1 0 453.635 3.519 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001306166948 1068563212 /nfs/dbraw/zinc/56/32/12/1068563212.db2.gz YKELGQZLGAYINA-SFHVURJKSA-N 1 0 465.568 3.840 20 0 JHADRO CCc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001306167268 1068563310 /nfs/dbraw/zinc/56/33/10/1068563310.db2.gz RGUOJYUHASGXRP-OAQYLSRUSA-N 1 0 456.635 3.692 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001306178924 1068568549 /nfs/dbraw/zinc/56/85/49/1068568549.db2.gz FZGPFOFXYUQAIT-JOCHJYFZSA-N 1 0 456.610 3.597 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001306179075 1068568646 /nfs/dbraw/zinc/56/86/46/1068568646.db2.gz ACXSEMHTXOZUPJ-JOCHJYFZSA-N 1 0 480.682 3.876 20 0 JHADRO CCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001306180705 1068572471 /nfs/dbraw/zinc/57/24/71/1068572471.db2.gz NNYHXRKGZKJRFP-UHFFFAOYSA-N 1 0 492.525 3.613 20 0 JHADRO CCc1nnc(N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001306183415 1068573773 /nfs/dbraw/zinc/57/37/73/1068573773.db2.gz ULKHNTMHCBPZLF-UHFFFAOYSA-N 1 0 482.673 3.743 20 0 JHADRO CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001306184465 1068574825 /nfs/dbraw/zinc/57/48/25/1068574825.db2.gz CBDQKESOJBNNCZ-HXUWFJFHSA-N 1 0 458.676 3.824 20 0 JHADRO CCc1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CCCCCCC[NH+]1CCCC1 ZINC001306187270 1068578937 /nfs/dbraw/zinc/57/89/37/1068578937.db2.gz IVOBEBNPIWRUAQ-UHFFFAOYSA-N 1 0 459.683 3.615 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001306187847 1068579847 /nfs/dbraw/zinc/57/98/47/1068579847.db2.gz ODSRDQUNEOEOTC-HSZRJFAPSA-N 1 0 468.646 3.810 20 0 JHADRO CCc1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306192739 1068583861 /nfs/dbraw/zinc/58/38/61/1068583861.db2.gz CTBBZOAOCHPKLY-UQBPGWFLSA-N 1 0 458.626 3.825 20 0 JHADRO CCc1nnc(N2CCN(c3ccc(C(C)=O)cc3F)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306196722 1068588868 /nfs/dbraw/zinc/58/88/68/1068588868.db2.gz YNHIDRGLXZAYNG-BGYRXZFFSA-N 1 0 470.637 3.877 20 0 JHADRO 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CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@H]3C2)nc1 ZINC001164803298 721603211 /nfs/dbraw/zinc/60/32/11/721603211.db2.gz VEGPHQUSNMRLER-CYXNTTPDSA-N 1 0 477.653 3.976 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)COCc2c(C)nc(N(C)C)nc23)nc1 ZINC001164809347 721606723 /nfs/dbraw/zinc/60/67/23/721606723.db2.gz ZZJHGTXMRDDSQX-ATIYNZHBSA-N 1 0 450.631 3.861 20 0 JHADRO COC(=O)c1cccc2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncc21 ZINC001164907874 721697197 /nfs/dbraw/zinc/69/71/97/721697197.db2.gz VKPHQVAVJDNJSX-QHCPKHFHSA-N 1 0 453.493 3.549 20 0 JHADRO FC1(F)CCN(c2nc3ccccc3nc2N2CCOCC2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904909 721702607 /nfs/dbraw/zinc/70/26/07/721702607.db2.gz HOCYGMICNHYJTR-RUZDIDTESA-N 1 0 480.563 3.599 20 0 JHADRO CN(C)c1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(Cl)n1 ZINC001164912111 721734443 /nfs/dbraw/zinc/73/44/43/721734443.db2.gz LOVNDPZIYYVXCK-LJQANCHMSA-N 1 0 472.918 3.874 20 0 JHADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165010318 721745484 /nfs/dbraw/zinc/74/54/84/721745484.db2.gz LRJVEQDXUWLUSR-UHFFFAOYSA-N 1 0 472.703 3.673 20 0 JHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)CC1 ZINC001165013304 721748195 /nfs/dbraw/zinc/74/81/95/721748195.db2.gz XPUGUCIOAJQHEL-UHFFFAOYSA-N 1 0 462.642 3.657 20 0 JHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2[C@@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165017301 721783219 /nfs/dbraw/zinc/78/32/19/721783219.db2.gz GFPRAUCMCFCPLK-FKBYEOEOSA-N 1 0 493.986 3.696 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccsc4c(N4CCOCC4)n3)C[C@@H]21 ZINC001165021411 721804203 /nfs/dbraw/zinc/80/42/03/721804203.db2.gz GRRBCWPGTSDEBQ-RCZSKKKRSA-N 1 0 464.639 3.660 20 0 JHADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165026700 721825014 /nfs/dbraw/zinc/82/50/14/721825014.db2.gz PNFOHWPLWCKHJZ-PMOQBDJRSA-N 1 0 471.671 3.680 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)nnc(Cl)c3N3CCOCC3)C[C@@H]21 ZINC001165025140 721832634 /nfs/dbraw/zinc/83/26/34/721832634.db2.gz LXCKQNIGXSHPEL-NZSAHSFTSA-N 1 0 477.440 3.752 20 0 JHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164920944 721841420 /nfs/dbraw/zinc/84/14/20/721841420.db2.gz LZZIJDSGSINWIT-CVDCTZTESA-N 1 0 476.955 3.721 20 0 JHADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164932554 721880193 /nfs/dbraw/zinc/88/01/93/721880193.db2.gz JBAPEYXIRBVTLD-PMACEKPBSA-N 1 0 479.650 3.592 20 0 JHADRO CN1C(=O)CC[C@@H]2[C@@H]1CCN2c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164932054 721893009 /nfs/dbraw/zinc/89/30/09/721893009.db2.gz GCYUKNGSNUVNKI-FCHUYYIVSA-N 1 0 467.013 3.956 20 0 JHADRO O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@H]21)NC1CCC1 ZINC001164936132 721897998 /nfs/dbraw/zinc/89/79/98/721897998.db2.gz YDTROJLDVUKEIX-BSIFCXSSSA-N 1 0 480.987 3.557 20 0 JHADRO CC(C)(C)C(=O)Oc1cc2ncnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2cc1OC(=O)C(C)(C)C ZINC001165038660 721916029 /nfs/dbraw/zinc/91/60/29/721916029.db2.gz NHCMGKHESRCHGM-SFHVURJKSA-N 1 0 498.624 3.834 20 0 JHADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1C ZINC001165038195 721918181 /nfs/dbraw/zinc/91/81/81/721918181.db2.gz LEEPHFJXBJXBDN-IBGZPJMESA-N 1 0 466.607 3.678 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(-c5ccccc5)nc(N(C)C)n4)CC3)C2)cc1 ZINC001164939425 721928322 /nfs/dbraw/zinc/92/83/22/721928322.db2.gz KOLNMMMYHBCGNA-UHFFFAOYSA-N 1 0 458.610 3.784 20 0 JHADRO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940694 721931526 /nfs/dbraw/zinc/93/15/26/721931526.db2.gz XGRUMMAFPXVBRJ-JOCHJYFZSA-N 1 0 486.682 3.728 20 0 JHADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164963834 722057320 /nfs/dbraw/zinc/05/73/20/722057320.db2.gz NBLCREKQWLZXSL-UHFFFAOYSA-N 1 0 480.943 3.581 20 0 JHADRO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164963108 722057385 /nfs/dbraw/zinc/05/73/85/722057385.db2.gz HHJYDVKVBKAROH-UHFFFAOYSA-N 1 0 472.033 3.777 20 0 JHADRO COC(=O)c1cc2c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)[nH]c(Cl)cc-2n1 ZINC001164960728 722058448 /nfs/dbraw/zinc/05/84/48/722058448.db2.gz JODHFDNBZSGDJC-UHFFFAOYSA-N 1 0 469.973 3.517 20 0 JHADRO O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164963750 722066035 /nfs/dbraw/zinc/06/60/35/722066035.db2.gz CQMLYYPWBPOZBK-QZTJIDSGSA-N 1 0 465.957 3.607 20 0 JHADRO O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]2C1 ZINC001164972801 722086394 /nfs/dbraw/zinc/08/63/94/722086394.db2.gz MTSNQAHGJQJURC-IAGOWNOFSA-N 1 0 450.961 3.788 20 0 JHADRO CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]2c2ccccc21 ZINC001164979443 722090899 /nfs/dbraw/zinc/09/08/99/722090899.db2.gz ZNYJTARRDQACAS-JXFKEZNVSA-N 1 0 494.995 3.656 20 0 JHADRO c1cn(Cc2ccccc2)c2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164974022 722124474 /nfs/dbraw/zinc/12/44/74/722124474.db2.gz IHJCXFISMAPKKL-ILBGXUMGSA-N 1 0 454.578 3.602 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164982667 722137197 /nfs/dbraw/zinc/13/71/97/722137197.db2.gz RWLRJZZFGINIAE-YLJYHZDGSA-N 1 0 480.943 3.579 20 0 JHADRO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981711 722139687 /nfs/dbraw/zinc/13/96/87/722139687.db2.gz QEWJPVWPBVMQCR-DHLKQENFSA-N 1 0 452.562 3.814 20 0 JHADRO O=C(OCc1ccccc1)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164979638 722145769 /nfs/dbraw/zinc/14/57/69/722145769.db2.gz LPYNEKUNYWVIER-JWQCQUIFSA-N 1 0 458.562 3.561 20 0 JHADRO O=C(OCc1ccccc1)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979642 722145943 /nfs/dbraw/zinc/14/59/43/722145943.db2.gz LPYNEKUNYWVIER-RPBOFIJWSA-N 1 0 458.562 3.561 20 0 JHADRO COc1ccc(Oc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(C)n2)cc1 ZINC001164972489 722152701 /nfs/dbraw/zinc/15/27/01/722152701.db2.gz IAEPDGCAKQZGPF-ZJSXRUAMSA-N 1 0 461.566 3.708 20 0 JHADRO Clc1ccc(OC(Cl)(Cl)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cn1 ZINC001164971565 722157779 /nfs/dbraw/zinc/15/77/79/722157779.db2.gz BSFLAEXSGGXVFB-SJLPKXTDSA-N 1 0 457.789 3.821 20 0 JHADRO O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CCO2 ZINC001164999748 722250255 /nfs/dbraw/zinc/25/02/55/722250255.db2.gz BGXBILVXHBSNDG-QHCPKHFHSA-N 1 0 492.954 3.761 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2c(F)cc(F)c(F)c2F)CC[N@@H+]1CCOC ZINC001306621798 1069310900 /nfs/dbraw/zinc/31/09/00/1069310900.db2.gz QUGQGXXROZAPFO-INIZCTEOSA-N 1 0 494.537 3.825 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCc2nccs2)CC[N@@H+]1CCOC ZINC001306621932 1069311556 /nfs/dbraw/zinc/31/15/56/1069311556.db2.gz GLMGPSRONJMEKE-GOSISDBHSA-N 1 0 476.050 3.630 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2ccnc2C)CC[N@@H+]1CCOC ZINC001306623164 1069313775 /nfs/dbraw/zinc/31/37/75/1069313775.db2.gz RJHDCNUKSRNIBB-FQEVSTJZSA-N 1 0 490.027 3.880 20 0 JHADRO Cn1cc(Br)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1=O ZINC001311281844 1069315094 /nfs/dbraw/zinc/31/50/94/1069315094.db2.gz IEXVIPBPFIHCNY-PXNSSMCTSA-N 1 0 459.388 3.666 20 0 JHADRO Cc1cc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)ccc1S(=O)(=O)N(C)C ZINC001311282504 1069315463 /nfs/dbraw/zinc/31/54/63/1069315463.db2.gz QRFADBZPMNBUDF-UFYCRDLUSA-N 1 0 458.628 3.761 20 0 JHADRO Cc1cc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)ccc1S(=O)(=O)N(C)C ZINC001311282506 1069315744 /nfs/dbraw/zinc/31/57/44/1069315744.db2.gz QRFADBZPMNBUDF-ZCNNSNEGSA-N 1 0 458.628 3.761 20 0 JHADRO CCOC(=O)c1cn(C)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC001311283080 1069315861 /nfs/dbraw/zinc/31/58/61/1069315861.db2.gz CJDMKFLAKIJPQL-UHFFFAOYSA-N 1 0 451.365 3.560 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCc2c(F)cccc2F)CC[N@@H+]1CCOC ZINC001306623824 1069315932 /nfs/dbraw/zinc/31/59/32/1069315932.db2.gz GFZICWOQUXRVBE-WMZHIEFXSA-N 1 0 477.600 3.978 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001306624191 1069317300 /nfs/dbraw/zinc/31/73/00/1069317300.db2.gz MLJVJBJGMUGAJO-AMGIVPHBSA-N 1 0 496.656 3.703 20 0 JHADRO COCC(=O)N1CCCc2ccc(NC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)cc21 ZINC001311290259 1069317533 /nfs/dbraw/zinc/31/75/33/1069317533.db2.gz GLVJYAUAFZVMIL-UHFFFAOYSA-N 1 0 450.583 3.707 20 0 JHADRO CC[NH+](CC)CCOc1cccc(NC(=O)N[C@H]2CCc3ncc(Br)n3C2)c1 ZINC001311312712 1069321560 /nfs/dbraw/zinc/32/15/60/1069321560.db2.gz BORLFWVWWNQURN-INIZCTEOSA-N 1 0 450.381 3.503 20 0 JHADRO CCC[C@H]1CN(c2nnc(C3CCCC3)n2Cc2nccc(C(F)F)n2)CC[N@@H+]1CCOC ZINC001306626243 1069321821 /nfs/dbraw/zinc/32/18/21/1069321821.db2.gz WWFIZZZQAFINAX-SFHVURJKSA-N 1 0 463.577 3.649 20 0 JHADRO CC[NH+](CC)CCOc1cccc(NC(=O)N[C@@H]2CCc3ncc(Br)n3C2)c1 ZINC001311312713 1069321872 /nfs/dbraw/zinc/32/18/72/1069321872.db2.gz BORLFWVWWNQURN-MRXNPFEDSA-N 1 0 450.381 3.503 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ncccc2C)CC[N@@H+]1CCOC ZINC001306627150 1069323152 /nfs/dbraw/zinc/32/31/52/1069323152.db2.gz RCNDWLLOBTYALB-HSZRJFAPSA-N 1 0 466.605 3.697 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2cccc(C3OCCO3)c2)CC[N@@H+]1CCOC ZINC001306628146 1069325483 /nfs/dbraw/zinc/32/54/83/1069325483.db2.gz DQTUORNDUIUZQS-QHCPKHFHSA-N 1 0 485.673 3.898 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCn2cnc3ccccc32)CC[N@@H+]1CCOC ZINC001306628582 1069327156 /nfs/dbraw/zinc/32/71/56/1069327156.db2.gz GZAWTMPEZZPKFC-NRFANRHFSA-N 1 0 467.662 3.854 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2nc(C(C)(C)C)cs2)CC[N@@H+]1CCOC ZINC001306629793 1069328972 /nfs/dbraw/zinc/32/89/72/1069328972.db2.gz LHYFYXWOHXYFQC-RTBURBONSA-N 1 0 476.691 3.521 20 0 JHADRO O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC001311342535 1069329785 /nfs/dbraw/zinc/32/97/85/1069329785.db2.gz DSOTZFREQOGBSY-GOSISDBHSA-N 1 0 455.430 3.906 20 0 JHADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001311344090 1069331911 /nfs/dbraw/zinc/33/19/11/1069331911.db2.gz OEEAGFDXSHSVIV-INIZCTEOSA-N 1 0 456.400 3.854 20 0 JHADRO COc1ccc([C@H](CNC(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC001311346067 1069332564 /nfs/dbraw/zinc/33/25/64/1069332564.db2.gz OHOGZLRYJRPZQD-QPPBQGQZSA-N 1 0 450.583 3.527 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(C)(F)F)cc2)CC[N@@H+]1CCOC ZINC001306631729 1069332596 /nfs/dbraw/zinc/33/25/96/1069332596.db2.gz ULOZGHZKEGJULA-IRLDBZIGSA-N 1 0 477.600 3.879 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001306634537 1069340116 /nfs/dbraw/zinc/34/01/16/1069340116.db2.gz JGIJOPHLVSJBSP-UHFFFAOYSA-N 1 0 469.678 3.681 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001306634811 1069340467 /nfs/dbraw/zinc/34/04/67/1069340467.db2.gz NFVWTDHYCXLJJS-HXUWFJFHSA-N 1 0 456.635 3.854 20 0 JHADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC001311363212 1069346114 /nfs/dbraw/zinc/34/61/14/1069346114.db2.gz QMHVWCSJJJIKQQ-DEPWHIHDSA-N 1 0 453.002 3.509 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)C)CC[N@@H+]1CCOC ZINC001306635778 1069343768 /nfs/dbraw/zinc/34/37/68/1069343768.db2.gz SILSADYOOWTYCH-SFTDATJTSA-N 1 0 478.682 3.943 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@]1(CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(F)(F)F ZINC001311368736 1069347176 /nfs/dbraw/zinc/34/71/76/1069347176.db2.gz QQVVBBOSFUIKOU-HXUWFJFHSA-N 1 0 450.546 3.927 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001311369000 1069347241 /nfs/dbraw/zinc/34/72/41/1069347241.db2.gz BQSMVDSRCAGMAL-IBGZPJMESA-N 1 0 452.546 3.595 20 0 JHADRO COc1ccc(N2C[C@@H](NC(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC2=O)cc1 ZINC001311369773 1069347622 /nfs/dbraw/zinc/34/76/22/1069347622.db2.gz IPAPVMUPKIMKSW-UGKGYDQZSA-N 1 0 456.974 3.590 20 0 JHADRO CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001311369649 1069347975 /nfs/dbraw/zinc/34/79/75/1069347975.db2.gz HEELEUONTRNQGE-NQIIRXRSSA-N 1 0 458.994 3.748 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCc2ccccn2)CC[N@@H+]1CCOC ZINC001306638607 1069348562 /nfs/dbraw/zinc/34/85/62/1069348562.db2.gz AZFUDFDVYXLMPK-NRFANRHFSA-N 1 0 452.578 3.659 20 0 JHADRO CCCCCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC001306639159 1069349874 /nfs/dbraw/zinc/34/98/74/1069349874.db2.gz PNKFIWVCJXGBCB-QFIPXVFZSA-N 1 0 488.702 3.897 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001306645584 1069356448 /nfs/dbraw/zinc/35/64/48/1069356448.db2.gz KUNUVLNULCUFLF-UXHICEINSA-N 1 0 462.038 3.961 20 0 JHADRO Cc1cccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)N2CCOCC2)c1 ZINC001311390190 1069358060 /nfs/dbraw/zinc/35/80/60/1069358060.db2.gz CPBBGJDBEBWIKH-CLJLJLNGSA-N 1 0 450.627 3.722 20 0 JHADRO CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001306647568 1069359218 /nfs/dbraw/zinc/35/92/18/1069359218.db2.gz MTWHXZNHIJCDRG-LJQANCHMSA-N 1 0 451.619 3.957 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1)Cc1ccccc1 ZINC001311396157 1069361022 /nfs/dbraw/zinc/36/10/22/1069361022.db2.gz ZXHMHTNWMMWAIR-RUZDIDTESA-N 1 0 450.627 3.852 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1)c1ccsc1 ZINC001311403333 1069362772 /nfs/dbraw/zinc/36/27/72/1069362772.db2.gz WSOOCEPVJIEIBH-WOJBJXKFSA-N 1 0 459.616 3.749 20 0 JHADRO CN1CCO[C@H]([C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001311405063 1069364101 /nfs/dbraw/zinc/36/41/01/1069364101.db2.gz IBHWHUKEOOMNOD-TZRRMPRUSA-N 1 0 457.018 3.848 20 0 JHADRO CCCCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001306655102 1069367188 /nfs/dbraw/zinc/36/71/88/1069367188.db2.gz GDUYIGABCQMXSI-NZQKXSOJSA-N 1 0 486.636 3.565 20 0 JHADRO CC(C)(C)c1cccc(OCCNC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001311422764 1069370735 /nfs/dbraw/zinc/37/07/35/1069370735.db2.gz GNXBGMVDVOXWOJ-UHFFFAOYSA-N 1 0 452.643 3.870 20 0 JHADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC001311425788 1069374214 /nfs/dbraw/zinc/37/42/14/1069374214.db2.gz YZAXZONGDPNMDM-RPWUZVMVSA-N 1 0 475.008 3.816 20 0 JHADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)C1 ZINC001311430181 1069376510 /nfs/dbraw/zinc/37/65/10/1069376510.db2.gz IKLXICTZYXKFLH-HXUWFJFHSA-N 1 0 454.656 3.604 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306659822 1069377660 /nfs/dbraw/zinc/37/76/60/1069377660.db2.gz DGRDGKTZLLCUEH-NRFANRHFSA-N 1 0 467.662 3.595 20 0 JHADRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC001311437468 1069379366 /nfs/dbraw/zinc/37/93/66/1069379366.db2.gz OPCCVRARZFFYHQ-CLJLJLNGSA-N 1 0 450.627 3.612 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C)cc1N1CCOCC1)c1cccc(OC)c1 ZINC001311468102 1069392026 /nfs/dbraw/zinc/39/20/26/1069392026.db2.gz GNZZVNKVEYOSGX-VWLOTQADSA-N 1 0 454.615 3.723 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(OC)c1 ZINC001311469196 1069392478 /nfs/dbraw/zinc/39/24/78/1069392478.db2.gz JPXGEWWNSMEETF-IFMALSPDSA-N 1 0 453.505 3.827 20 0 JHADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)C1 ZINC001306668769 1069396169 /nfs/dbraw/zinc/39/61/69/1069396169.db2.gz NMQZNLHNUPQZTE-DLBZAZTESA-N 1 0 453.967 3.883 20 0 JHADRO C[C@H](NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311482039 1069398227 /nfs/dbraw/zinc/39/82/27/1069398227.db2.gz FARZGINBIBFPPL-CYFREDJKSA-N 1 0 450.583 3.943 20 0 JHADRO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccccc1NS(C)(=O)=O ZINC001311493015 1069403597 /nfs/dbraw/zinc/40/35/97/1069403597.db2.gz IDRMWICWLBOKRP-MOPGFXCFSA-N 1 0 458.628 3.993 20 0 JHADRO CCc1nsc(N2CCCN(C(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)CC2)n1 ZINC001311492942 1069403655 /nfs/dbraw/zinc/40/36/55/1069403655.db2.gz YWQRUPZEHIWAQT-UHFFFAOYSA-N 1 0 456.660 3.754 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001306677733 1069401576 /nfs/dbraw/zinc/40/15/76/1069401576.db2.gz BPURAIHTDGOZAM-ZEQRLZLVSA-N 1 0 474.694 3.727 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001306678254 1069403009 /nfs/dbraw/zinc/40/30/09/1069403009.db2.gz KNZWCBMRDCCYJV-UHFFFAOYSA-N 1 0 463.630 3.629 20 0 JHADRO CN(C)C(=O)C[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c2ccc(Cl)cc21 ZINC001311495758 1069405660 /nfs/dbraw/zinc/40/56/60/1069405660.db2.gz JWNBRMVGJLHFBI-GOSISDBHSA-N 1 0 458.990 3.572 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N[C@@H](c3ccccc3)C3(CO)CCC3)cc2)C[C@@H](C)O1 ZINC001311495822 1069405791 /nfs/dbraw/zinc/40/57/91/1069405791.db2.gz INKBSVBXCNMHQR-OTPAQWSUSA-N 1 0 451.611 3.999 20 0 JHADRO C[C@@H](NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C(F)F ZINC001311496280 1069406435 /nfs/dbraw/zinc/40/64/35/1069406435.db2.gz LYFOMTIHUBDGMQ-OSPHWJPCSA-N 1 0 457.525 3.771 20 0 JHADRO CC(C)C[C@@H](C)Oc1cc(CNC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)ccn1 ZINC001311497436 1069407047 /nfs/dbraw/zinc/40/70/47/1069407047.db2.gz QADQJIGYLRYSAP-OAQYLSRUSA-N 1 0 453.631 3.642 20 0 JHADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC001311498037 1069407652 /nfs/dbraw/zinc/40/76/52/1069407652.db2.gz SRSXMEHNHMOHQR-WSNNEZGNSA-N 1 0 470.564 3.968 20 0 JHADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC001311498034 1069407673 /nfs/dbraw/zinc/40/76/73/1069407673.db2.gz SRSXMEHNHMOHQR-DQXHVOOISA-N 1 0 470.564 3.968 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N(CCO)[C@@H]3CCCc4ccccc43)cc2)C[C@H](C)O1 ZINC001311499179 1069408431 /nfs/dbraw/zinc/40/84/31/1069408431.db2.gz XZHHMXFUXDGCLA-YZIHRLCOSA-N 1 0 451.611 3.877 20 0 JHADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@@H]3c3ccccc3Br)ccn2)CC1 ZINC001311501450 1069410235 /nfs/dbraw/zinc/41/02/35/1069410235.db2.gz JFVKKGAIGZSTJY-HXUWFJFHSA-N 1 0 458.404 3.643 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001306681390 1069410427 /nfs/dbraw/zinc/41/04/27/1069410427.db2.gz LKBACMZZKWDOII-WOJBJXKFSA-N 1 0 476.572 3.526 20 0 JHADRO Cc1cccc(COc2ccc(CNC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)cc2)c1 ZINC001311501738 1069411006 /nfs/dbraw/zinc/41/10/06/1069411006.db2.gz SLLCGJDWJLYORF-UHFFFAOYSA-N 1 0 459.594 3.720 20 0 JHADRO C[C@@H]1CN(c2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cn2)CCO1 ZINC001311504569 1069412933 /nfs/dbraw/zinc/41/29/33/1069412933.db2.gz UQXKJWJESAFJCA-PQNGQFLHSA-N 1 0 451.615 3.501 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N(CCO)[C@@H]3CCCc4ccccc43)cc2)C[C@@H](C)O1 ZINC001311499176 1069408675 /nfs/dbraw/zinc/40/86/75/1069408675.db2.gz XZHHMXFUXDGCLA-IPVFLDMMSA-N 1 0 451.611 3.877 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001306682205 1069412553 /nfs/dbraw/zinc/41/25/53/1069412553.db2.gz CRRQCLLQZWLBSC-UHFFFAOYSA-N 1 0 489.093 3.813 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001306680953 1069409273 /nfs/dbraw/zinc/40/92/73/1069409273.db2.gz WQKAJGFYFCOWJO-LVXARBLLSA-N 1 0 473.637 3.777 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001306683375 1069416520 /nfs/dbraw/zinc/41/65/20/1069416520.db2.gz WYTMVUVADPHEQA-QHCPKHFHSA-N 1 0 451.619 3.551 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001306683744 1069418155 /nfs/dbraw/zinc/41/81/55/1069418155.db2.gz CAPFQCRPZFTUOW-UHFFFAOYSA-N 1 0 454.594 3.718 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306682639 1069413800 /nfs/dbraw/zinc/41/38/00/1069413800.db2.gz KFCQTZKZOOZKHY-OAHLLOKOSA-N 1 0 454.402 3.983 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001306683917 1069418783 /nfs/dbraw/zinc/41/87/83/1069418783.db2.gz FMAJBQYBASSFQG-UHFFFAOYSA-N 1 0 457.623 3.566 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001306684991 1069419942 /nfs/dbraw/zinc/41/99/42/1069419942.db2.gz WRGZBPNHMUYKTM-UHFFFAOYSA-N 1 0 482.608 3.935 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306684992 1069420032 /nfs/dbraw/zinc/42/00/32/1069420032.db2.gz WTNIOMAKORVLNB-UHFFFAOYSA-N 1 0 492.672 3.557 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001306685320 1069420668 /nfs/dbraw/zinc/42/06/68/1069420668.db2.gz AWRRLSQDFOYLGZ-DEOSSOPVSA-N 1 0 486.636 3.920 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001306685276 1069420841 /nfs/dbraw/zinc/42/08/41/1069420841.db2.gz ZUDQVKWIKGRJSL-HXUWFJFHSA-N 1 0 465.646 3.851 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](CC)C1 ZINC001306685866 1069421367 /nfs/dbraw/zinc/42/13/67/1069421367.db2.gz MIFALQZBVCLQNB-PMACEKPBSA-N 1 0 496.722 3.650 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](CC)C1 ZINC001306685932 1069422052 /nfs/dbraw/zinc/42/20/52/1069422052.db2.gz NMQJLDYMJCOIMK-LEWJYISDSA-N 1 0 478.682 3.740 20 0 JHADRO CCCC[N@H+](C)CCn1c(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)nnc1C(C)(C)C ZINC001306687478 1069423945 /nfs/dbraw/zinc/42/39/45/1069423945.db2.gz JMUZHHLWHJBFQQ-UHFFFAOYSA-N 1 0 455.651 3.866 20 0 JHADRO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C[C@H](C)O1 ZINC001311533274 1069426382 /nfs/dbraw/zinc/42/63/82/1069426382.db2.gz JRJINNTUMOWWJF-LLGFUMIMSA-N 1 0 457.537 3.972 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C(C)C)N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001311533704 1069426858 /nfs/dbraw/zinc/42/68/58/1069426858.db2.gz OFBANPNIYFQYLU-LEWJYISDSA-N 1 0 458.569 3.744 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C(C)C)N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001311533709 1069426977 /nfs/dbraw/zinc/42/69/77/1069426977.db2.gz OFBANPNIYFQYLU-SFTDATJTSA-N 1 0 458.569 3.744 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1)CC(C)C ZINC001311535597 1069428505 /nfs/dbraw/zinc/42/85/05/1069428505.db2.gz YULGORRUSAKPNZ-IEBWSBKVSA-N 1 0 458.525 3.524 20 0 JHADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(Br)cc2C(F)(F)F)C[C@H](C)O1 ZINC001311536854 1069429108 /nfs/dbraw/zinc/42/91/08/1069429108.db2.gz XSIWCGOGTBNOPA-BETUJISGSA-N 1 0 452.315 3.766 20 0 JHADRO CCCCN(CC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306692660 1069429673 /nfs/dbraw/zinc/42/96/73/1069429673.db2.gz PHXCVVCNUYGHMT-KDURUIRLSA-N 1 0 467.618 3.720 20 0 JHADRO C[C@H]1C[C@@H](CCNC(=O)NCc2ccccc2CN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC001311546753 1069433087 /nfs/dbraw/zinc/43/30/87/1069433087.db2.gz YBBIXARGWPAKDD-LADGPHEKSA-N 1 0 450.627 3.619 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc(F)c1 ZINC001311568509 1069442238 /nfs/dbraw/zinc/44/22/38/1069442238.db2.gz GPMJDEHYMQUGAE-SJLPKXTDSA-N 1 0 458.525 3.620 20 0 JHADRO O=C(/C=C/c1ccccc1)NCCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001311580261 1069448243 /nfs/dbraw/zinc/44/82/43/1069448243.db2.gz KIAZJTVGCSGBHF-YAOQVBECSA-N 1 0 455.002 3.996 20 0 JHADRO CC(C)COC(=O)N1CCCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC001311582155 1069449459 /nfs/dbraw/zinc/44/94/59/1069449459.db2.gz WXBFKCOPIKGMMQ-OAQYLSRUSA-N 1 0 451.011 3.987 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001306723190 1069462196 /nfs/dbraw/zinc/46/21/96/1069462196.db2.gz OSVLQUHWNFBGTQ-QFIPXVFZSA-N 1 0 456.635 3.830 20 0 JHADRO 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JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001306727072 1069471071 /nfs/dbraw/zinc/47/10/71/1069471071.db2.gz CKZCGRRAXSYFAP-LILXYRQWSA-N 1 0 463.667 3.518 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)C[C@H]1c1ccc(O)cc1 ZINC001311621641 1069472192 /nfs/dbraw/zinc/47/21/92/1069472192.db2.gz AVXIEFNEBULTAA-VXNXHJTFSA-N 1 0 481.593 3.526 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001306728522 1069476093 /nfs/dbraw/zinc/47/60/93/1069476093.db2.gz HLTBOOHXQMREOU-WJFTUGDTSA-N 1 0 459.557 3.940 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001306728172 1069474356 /nfs/dbraw/zinc/47/43/56/1069474356.db2.gz TUXJYHBXOVIYRB-LJQANCHMSA-N 1 0 453.697 3.535 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001306728519 1069476035 /nfs/dbraw/zinc/47/60/35/1069476035.db2.gz HLTBOOHXQMREOU-MANSERQUSA-N 1 0 459.557 3.940 20 0 JHADRO COc1ccc(CN(CCc2ccccn2)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC001311625673 1069475474 /nfs/dbraw/zinc/47/54/74/1069475474.db2.gz OXOPVBPOUSTIKA-UHFFFAOYSA-N 1 0 459.594 3.904 20 0 JHADRO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC001311636775 1069482917 /nfs/dbraw/zinc/48/29/17/1069482917.db2.gz LYAPNIKPJUGDBS-RZFJZAQRSA-N 1 0 450.627 3.578 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001306730886 1069483542 /nfs/dbraw/zinc/48/35/42/1069483542.db2.gz ICPLRESPFYNLQW-SFTDATJTSA-N 1 0 482.677 3.521 20 0 JHADRO C[C@@H](CNC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001311638764 1069484404 /nfs/dbraw/zinc/48/44/04/1069484404.db2.gz OMHKLIPUCFFFNZ-KRWDZBQOSA-N 1 0 454.537 3.731 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001306731208 1069484991 /nfs/dbraw/zinc/48/49/91/1069484991.db2.gz DQNCBZRNNOOLMV-QLBJFCOMSA-N 1 0 495.716 3.906 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2CC2CC[NH+](CCC)CC2)C1 ZINC001306731909 1069487927 /nfs/dbraw/zinc/48/79/27/1069487927.db2.gz KJGFIFOPAOHACG-URXFXBBRSA-N 1 0 481.689 3.983 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306732961 1069491734 /nfs/dbraw/zinc/49/17/34/1069491734.db2.gz XAIFDTMIIQPNPL-WOJBJXKFSA-N 1 0 473.593 3.650 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(-n2ccnc2C)c(F)c1 ZINC001311664204 1069493342 /nfs/dbraw/zinc/49/33/42/1069493342.db2.gz ACUUCYYGXHAMPJ-RCZVLFRGSA-N 1 0 465.573 3.656 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001306734551 1069496920 /nfs/dbraw/zinc/49/69/20/1069496920.db2.gz DHHKSRVQZFMWLM-SIKLNZKXSA-N 1 0 456.610 3.557 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001306738109 1069508157 /nfs/dbraw/zinc/50/81/57/1069508157.db2.gz ZAUTYNBJDIUSRN-UNMCSNQZSA-N 1 0 469.678 3.916 20 0 JHADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCCc2ccccc2C(F)(F)F)CC1 ZINC001311703292 1069511259 /nfs/dbraw/zinc/51/12/59/1069511259.db2.gz DLXOEPVVIIPONI-UHFFFAOYSA-N 1 0 456.553 3.518 20 0 JHADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001311712476 1069514081 /nfs/dbraw/zinc/51/40/81/1069514081.db2.gz DDUHJFMPKSDEHN-MSOLQXFVSA-N 1 0 450.461 3.540 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001306741418 1069517404 /nfs/dbraw/zinc/51/74/04/1069517404.db2.gz BHGFOBSYTQJTOR-XZOQPEGZSA-N 1 0 481.689 3.517 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N1CCOCC2(CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718832 1069517759 /nfs/dbraw/zinc/51/77/59/1069517759.db2.gz KXMVVBDIAURMFJ-HXUWFJFHSA-N 1 0 457.537 3.927 20 0 JHADRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)NCC(C)(C)[N@@H+]3CCc4ccccc4C3)ccc2NC1=O ZINC001311719874 1069519049 /nfs/dbraw/zinc/51/90/49/1069519049.db2.gz DQNBQVGXRABFLC-VGOFRKELSA-N 1 0 450.583 3.993 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001306745285 1069527837 /nfs/dbraw/zinc/52/78/37/1069527837.db2.gz PPMPIVSKNXREIL-UHFFFAOYSA-N 1 0 467.662 3.595 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001306746826 1069533037 /nfs/dbraw/zinc/53/30/37/1069533037.db2.gz STYWYEIRQPKSIH-SAYMBASOSA-N 1 0 495.716 3.907 20 0 JHADRO COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC001311766728 1069538653 /nfs/dbraw/zinc/53/86/53/1069538653.db2.gz XACNWNFDTKZURL-AREMUKBSSA-N 1 0 459.631 3.952 20 0 JHADRO C[C@@H](NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(-n2cccn2)c1 ZINC001311820583 1069560228 /nfs/dbraw/zinc/56/02/28/1069560228.db2.gz TYBAUGVXTNNQFU-RTBURBONSA-N 1 0 450.562 3.885 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NC[C@]2(C)COc3ccccc3O2)CC1 ZINC001311822629 1069561524 /nfs/dbraw/zinc/56/15/24/1069561524.db2.gz PWHBKAFINVOWIH-AVRWGWEMSA-N 1 0 456.562 3.558 20 0 JHADRO CCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306765348 1069566976 /nfs/dbraw/zinc/56/69/76/1069566976.db2.gz BFUWVGGHYKDKAA-WOJBJXKFSA-N 1 0 465.646 3.796 20 0 JHADRO CCCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001306776872 1069572711 /nfs/dbraw/zinc/57/27/11/1069572711.db2.gz XZKOEUHWJSJPDY-UHFFFAOYSA-N 1 0 462.646 3.798 20 0 JHADRO CCO[C@H]1C[C@H](NC(=O)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C12CCCC2 ZINC001311849424 1069578524 /nfs/dbraw/zinc/57/85/24/1069578524.db2.gz JMHICXHIXNZNPO-ZEQRLZLVSA-N 1 0 459.631 3.713 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(C)COCCO2)C1 ZINC001306778991 1069575007 /nfs/dbraw/zinc/57/50/07/1069575007.db2.gz CMXZVPSLIBQRJB-MHECFPHRSA-N 1 0 479.572 3.520 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@](C)(O)CC)C1 ZINC001306779306 1069575351 /nfs/dbraw/zinc/57/53/51/1069575351.db2.gz FOOPOUBDRMXYCM-UQBPGWFLSA-N 1 0 451.619 3.664 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccc(Cl)cn2)C1 ZINC001306780200 1069576502 /nfs/dbraw/zinc/57/65/02/1069576502.db2.gz ACVDGHSTULWYTE-QUCCMNQESA-N 1 0 463.026 3.815 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccc(Cl)cn2)C1 ZINC001306780199 1069576841 /nfs/dbraw/zinc/57/68/41/1069576841.db2.gz ACVDGHSTULWYTE-ICSRJNTNSA-N 1 0 463.026 3.815 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2COCCO2)C1 ZINC001306780233 1069577079 /nfs/dbraw/zinc/57/70/79/1069577079.db2.gz MDSXFNAGMWQMIC-XQBPLPMBSA-N 1 0 478.037 3.655 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CC(F)(F)F)C1 ZINC001306780323 1069577106 /nfs/dbraw/zinc/57/71/06/1069577106.db2.gz AVBUCRCNBDNQEG-KRWDZBQOSA-N 1 0 491.562 3.966 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001306780359 1069577378 /nfs/dbraw/zinc/57/73/78/1069577378.db2.gz BAONXCWLIDAVBT-MOPGFXCFSA-N 1 0 467.536 3.897 20 0 JHADRO 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C[NH+](C)C[C@@H](NC(=O)NCCCNC(=O)c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC001311994450 1069656870 /nfs/dbraw/zinc/65/68/70/1069656870.db2.gz JFIVOGUIXXGLTJ-LJQANCHMSA-N 1 0 455.361 3.855 20 0 JHADRO C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001311998602 1069658724 /nfs/dbraw/zinc/65/87/24/1069658724.db2.gz WOWXWXCYSSZGLP-MCEYFSPLSA-N 1 0 450.627 3.801 20 0 JHADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC001312004239 1069663924 /nfs/dbraw/zinc/66/39/24/1069663924.db2.gz XESYCYUIAAZWGX-VQIMIIECSA-N 1 0 456.450 3.687 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC001314166588 1069666000 /nfs/dbraw/zinc/66/60/00/1069666000.db2.gz NYZIHAXJIFOPMZ-SFTDATJTSA-N 1 0 457.619 3.842 20 0 JHADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001312010417 1069667064 /nfs/dbraw/zinc/66/70/64/1069667064.db2.gz CZYKCCHHAPKNLK-RTWAWAEBSA-N 1 0 450.421 3.809 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001312017424 1069673559 /nfs/dbraw/zinc/67/35/59/1069673559.db2.gz KTUQFVDALQGGHR-PZJWPPBQSA-N 1 0 450.599 3.982 20 0 JHADRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC001312022976 1069676251 /nfs/dbraw/zinc/67/62/51/1069676251.db2.gz DKZOQWPFFCMSDI-NXCFDTQHSA-N 1 0 451.611 3.836 20 0 JHADRO C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1=O ZINC001312027046 1069681103 /nfs/dbraw/zinc/68/11/03/1069681103.db2.gz XHEWDANAAWTXBK-CTUHWIOQSA-N 1 0 452.574 3.842 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001314170154 1069679271 /nfs/dbraw/zinc/67/92/71/1069679271.db2.gz KPWKFVIGFODNET-GHTZIAJQSA-N 1 0 457.619 3.555 20 0 JHADRO Ic1ncc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC001306914263 1069683464 /nfs/dbraw/zinc/68/34/64/1069683464.db2.gz OKXALYWXNLZQIQ-UHFFFAOYSA-N 1 0 456.331 3.993 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1 ZINC001306930021 1069684655 /nfs/dbraw/zinc/68/46/55/1069684655.db2.gz GYSPJMBXJQEJRK-UHFFFAOYSA-N 1 0 456.516 3.729 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CC[NH+](C(C)C)C(C)C)cc1OC ZINC001314171300 1069685293 /nfs/dbraw/zinc/68/52/93/1069685293.db2.gz BMJAHFYEZUHSGF-RBBKRZOGSA-N 1 0 487.601 3.585 20 0 JHADRO Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC001312036440 1069687003 /nfs/dbraw/zinc/68/70/03/1069687003.db2.gz MDXUPYGIODJXRO-BVAGGSTKSA-N 1 0 451.611 3.741 20 0 JHADRO C[NH+]1CCN(CCN(Cc2ccc(Br)cc2F)c2cnc3ccccc3n2)CC1 ZINC001306970896 1069692031 /nfs/dbraw/zinc/69/20/31/1069692031.db2.gz VZICAAGYYOSUDJ-UHFFFAOYSA-N 1 0 458.379 3.785 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC001314174369 1069697446 /nfs/dbraw/zinc/69/74/46/1069697446.db2.gz RHHXBLSMWHEZFO-BKCZMFJTSA-N 1 0 498.672 3.565 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC001314174378 1069697462 /nfs/dbraw/zinc/69/74/62/1069697462.db2.gz RHHXBLSMWHEZFO-WXJXEWBDSA-N 1 0 498.672 3.565 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCCN(C(C)=O)CC3)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001314174344 1069697467 /nfs/dbraw/zinc/69/74/67/1069697467.db2.gz QQTZRNIITDJTII-UHFFFAOYSA-N 1 0 498.672 3.676 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCN(c4nc(C)cs4)CC3)n2CC[N@H+](C)C(C)C)cc1OC ZINC001314174649 1069698727 /nfs/dbraw/zinc/69/87/27/1069698727.db2.gz CXHZMBFIWVKTHP-UHFFFAOYSA-N 1 0 499.685 3.784 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001307005465 1069700883 /nfs/dbraw/zinc/70/08/83/1069700883.db2.gz WGXFVDVSCPAEGG-OAQYLSRUSA-N 1 0 474.053 3.667 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@H]2CCCC[N@@H+]2CC)cc1OC ZINC001314177685 1069712387 /nfs/dbraw/zinc/71/23/87/1069712387.db2.gz AAKCFYVWLCDQBZ-HXUWFJFHSA-N 1 0 492.615 3.614 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@](C)(O)[C@H](C)CC)cc1OC ZINC001314176918 1069709292 /nfs/dbraw/zinc/70/92/92/1069709292.db2.gz OJIXPGOFORSQOY-CLOONOSVSA-N 1 0 459.635 3.680 20 0 JHADRO CCCN(CCc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001307012154 1069714351 /nfs/dbraw/zinc/71/43/51/1069714351.db2.gz PZKNWNNMXSPYKK-DEOSSOPVSA-N 1 0 475.609 3.734 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1OC ZINC001314179274 1069717998 /nfs/dbraw/zinc/71/79/98/1069717998.db2.gz VCBSLPWMUCRXHT-GIVPXCGWSA-N 1 0 475.609 3.503 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2C[C@](C)(O)c2cccs2)cc1OC ZINC001314179349 1069718664 /nfs/dbraw/zinc/71/86/64/1069718664.db2.gz LHPNVZHJAQFRPO-BVZFJXPGSA-N 1 0 485.654 3.852 20 0 JHADRO CCCN(CCn1c(-c2cccn2C)nnc1N1CCC[N@@H+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC001307015991 1069722666 /nfs/dbraw/zinc/72/26/66/1069722666.db2.gz JGIADZNQBQPSSW-UHFFFAOYSA-N 1 0 473.666 3.851 20 0 JHADRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC001312107313 1069722869 /nfs/dbraw/zinc/72/28/69/1069722869.db2.gz PLHVONAFDGZPCO-XPGKHFPBSA-N 1 0 451.611 3.645 20 0 JHADRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC001312107312 1069722909 /nfs/dbraw/zinc/72/29/09/1069722909.db2.gz PLHVONAFDGZPCO-RSYZFUPGSA-N 1 0 451.611 3.645 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001314181799 1069725826 /nfs/dbraw/zinc/72/58/26/1069725826.db2.gz SCHUXAUNCINFDA-PMACEKPBSA-N 1 0 451.619 3.834 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001314182159 1069727930 /nfs/dbraw/zinc/72/79/30/1069727930.db2.gz FUAYARLBCAEOFE-LEWJYISDSA-N 1 0 468.646 3.670 20 0 JHADRO O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001312119171 1069731145 /nfs/dbraw/zinc/73/11/45/1069731145.db2.gz TZJXMYJPLPJMOC-SFHVURJKSA-N 1 0 454.518 3.881 20 0 JHADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC001312119133 1069731264 /nfs/dbraw/zinc/73/12/64/1069731264.db2.gz LOIBKAARJDNPBH-RTBURBONSA-N 1 0 451.409 3.682 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001314183263 1069731783 /nfs/dbraw/zinc/73/17/83/1069731783.db2.gz QMRIWIBXLPXZLT-UHFFFAOYSA-N 1 0 468.646 3.671 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(C(C)(C)C)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001314183728 1069732685 /nfs/dbraw/zinc/73/26/85/1069732685.db2.gz ROOXNQZTDGRISD-UHFFFAOYSA-N 1 0 456.679 3.884 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)CC2(c3ccccc3)CC2)CC1 ZINC001307028929 1069735938 /nfs/dbraw/zinc/73/59/38/1069735938.db2.gz DJQOKGPBTJPUEG-UHFFFAOYSA-N 1 0 452.647 3.706 20 0 JHADRO CCc1ccc([C@@H](NC(=O)N[C@@H](CC)C[NH+]2CCCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001312130194 1069736890 /nfs/dbraw/zinc/73/68/90/1069736890.db2.gz KRYIMUVLJLHPIN-LADGPHEKSA-N 1 0 457.640 3.916 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001307030384 1069738401 /nfs/dbraw/zinc/73/84/01/1069738401.db2.gz BXSLCVUKVWMELN-LJQANCHMSA-N 1 0 489.064 3.644 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCc3ccc(Cl)cc3C2)C1 ZINC001307030626 1069739098 /nfs/dbraw/zinc/73/90/98/1069739098.db2.gz APRWEMSKMQFODA-MOPGFXCFSA-N 1 0 462.038 3.950 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCO[C@H](C)C2)C1 ZINC001307030823 1069739926 /nfs/dbraw/zinc/73/99/26/1069739926.db2.gz FONSFWVEQTXQFO-UXHICEINSA-N 1 0 457.619 3.698 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001307032185 1069742903 /nfs/dbraw/zinc/74/29/03/1069742903.db2.gz BAAGKKXBBIHVOJ-UHFFFAOYSA-N 1 0 479.572 3.938 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(OCC)cc3)nnc2N2CCO[C@H](C)C2)C1 ZINC001307031074 1069740595 /nfs/dbraw/zinc/74/05/95/1069740595.db2.gz CCABKUAEFINDMI-NJYVYQBISA-N 1 0 457.619 3.774 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@@H](OC)C2)C1 ZINC001307032035 1069743106 /nfs/dbraw/zinc/74/31/06/1069743106.db2.gz QHBIJNKSHCDZDV-NVXWUHKLSA-N 1 0 466.399 3.804 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2cnccn2)CC1 ZINC001307031987 1069743277 /nfs/dbraw/zinc/74/32/77/1069743277.db2.gz PNLARZHHGXYBHB-UHFFFAOYSA-N 1 0 455.010 3.584 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)C1 ZINC001307032248 1069743990 /nfs/dbraw/zinc/74/39/90/1069743990.db2.gz RIXJKGSAKQCPTP-RBUKOAKNSA-N 1 0 480.579 3.758 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H]2CC=CCC2)C1 ZINC001307032555 1069744613 /nfs/dbraw/zinc/74/46/13/1069744613.db2.gz DRKJLLUBGUTCMK-LEWJYISDSA-N 1 0 471.671 3.873 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CCN2CCOCC2)C1 ZINC001307032518 1069744808 /nfs/dbraw/zinc/74/48/08/1069744808.db2.gz CUVIWOFSSFUPTO-QFIPXVFZSA-N 1 0 468.690 3.743 20 0 JHADRO CCOc1ccc(CN2CCN(c3nnc([C@H](C)CC)n3C[C@@]3([NH+](C)C)CCSC3)CC2)cc1 ZINC001314189149 1069746700 /nfs/dbraw/zinc/74/67/00/1069746700.db2.gz QMYMWCJGZHSRCN-RLWLMLJZSA-N 1 0 486.730 3.950 20 0 JHADRO CCOc1ccc(CN2CCN(c3nnc([C@H](C)CC)n3C[C@H]3CCC[N@@H+]3CC)CC2)cc1 ZINC001314189280 1069747173 /nfs/dbraw/zinc/74/71/73/1069747173.db2.gz RJVWDZRDBQOGFE-FYYLOGMGSA-N 1 0 454.663 3.997 20 0 JHADRO CN1CCN(C(=O)NCc2ccccc2OCCC[N@H+](C)C2CCCC2)Cc2cccnc21 ZINC001312149011 1069748691 /nfs/dbraw/zinc/74/86/91/1069748691.db2.gz NSEKZLOCYAOZKH-UHFFFAOYSA-N 1 0 451.615 3.887 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cnn(C)c3)nnc2N(C)CCOc2cccc(C)c2)CC1 ZINC001307033983 1069749567 /nfs/dbraw/zinc/74/95/67/1069749567.db2.gz GTPOHSDYZLUJRR-UHFFFAOYSA-N 1 0 451.619 3.624 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001307033943 1069749865 /nfs/dbraw/zinc/74/98/65/1069749865.db2.gz GAWZMIZKPJSMRK-IBGZPJMESA-N 1 0 471.650 3.841 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001307034307 1069750345 /nfs/dbraw/zinc/75/03/45/1069750345.db2.gz IUFVRRCGSDTYSX-UXHICEINSA-N 1 0 469.634 3.518 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)CC)nnc2N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC001307035166 1069752890 /nfs/dbraw/zinc/75/28/90/1069752890.db2.gz JVUQVWWAHKVLDF-RTWAWAEBSA-N 1 0 452.647 3.922 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)C1 ZINC001307035712 1069754455 /nfs/dbraw/zinc/75/44/55/1069754455.db2.gz LZTFRANRPVGHKG-UXHICEINSA-N 1 0 477.613 3.863 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC001307035896 1069754514 /nfs/dbraw/zinc/75/45/14/1069754514.db2.gz XITWCNQUWULFAN-FCHUYYIVSA-N 1 0 477.657 3.671 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)c2cccs2)C1 ZINC001307035672 1069754535 /nfs/dbraw/zinc/75/45/35/1069754535.db2.gz LMQIFBWOWDAZET-ROUUACIJSA-N 1 0 453.616 3.916 20 0 JHADRO COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001312156029 1069754892 /nfs/dbraw/zinc/75/48/92/1069754892.db2.gz ZKOXWUSPUKUGDV-LJQANCHMSA-N 1 0 458.990 3.868 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001307035910 1069755305 /nfs/dbraw/zinc/75/53/05/1069755305.db2.gz XPGXSYGMJGQFJP-UHFFFAOYSA-N 1 0 457.026 3.794 20 0 JHADRO Cc1nccnc1N1CCN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001312160351 1069757590 /nfs/dbraw/zinc/75/75/90/1069757590.db2.gz GYERKZZLIBWXEI-UHFFFAOYSA-N 1 0 458.610 3.709 20 0 JHADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC001312166412 1069760515 /nfs/dbraw/zinc/76/05/15/1069760515.db2.gz MTUGBZIFIJRCHK-JOCHJYFZSA-N 1 0 454.453 3.800 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C1 ZINC001307040034 1069765907 /nfs/dbraw/zinc/76/59/07/1069765907.db2.gz VJBJOIKZMUHJLB-WOJBJXKFSA-N 1 0 470.637 3.947 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cnn(CC)c2)CC1 ZINC001307040308 1069766955 /nfs/dbraw/zinc/76/69/55/1069766955.db2.gz MIZIUKBKUGYMRS-UHFFFAOYSA-N 1 0 456.664 3.609 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001307041455 1069769265 /nfs/dbraw/zinc/76/92/65/1069769265.db2.gz JKHZSQWFDZHKIX-DYXWJJEUSA-N 1 0 481.563 3.788 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@H](COCC)C2)CC1 ZINC001307043154 1069774385 /nfs/dbraw/zinc/77/43/85/1069774385.db2.gz ZVBVPLOTMAMEIS-QHCPKHFHSA-N 1 0 457.667 3.515 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001307041992 1069770756 /nfs/dbraw/zinc/77/07/56/1069770756.db2.gz OKJSYYGVGKULPF-UHFFFAOYSA-N 1 0 466.602 3.627 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(CC(C)C)C(C)C)C1 ZINC001307042594 1069772113 /nfs/dbraw/zinc/77/21/13/1069772113.db2.gz KERNETYHQLCUIZ-FQEVSTJZSA-N 1 0 465.646 3.795 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CC[NH+]2CCCCCC2)cc1 ZINC001314198410 1069783323 /nfs/dbraw/zinc/78/33/23/1069783323.db2.gz MEZKCEDQDLXTRI-FGZHOGPDSA-N 1 0 498.672 3.750 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001314198483 1069783341 /nfs/dbraw/zinc/78/33/41/1069783341.db2.gz NICDIZXZYWHKDG-BHDDXSALSA-N 1 0 498.672 3.748 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C)[C@H]2C)C1 ZINC001307046319 1069784559 /nfs/dbraw/zinc/78/45/59/1069784559.db2.gz YDKLQYLZNQXTBU-CGXNFDGLSA-N 1 0 476.666 3.553 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001307045141 1069781061 /nfs/dbraw/zinc/78/10/61/1069781061.db2.gz KWFOCAGEMQMUEP-HSZRJFAPSA-N 1 0 459.610 3.979 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCNC(=O)[C@H]2CC)C1 ZINC001307045514 1069781066 /nfs/dbraw/zinc/78/10/66/1069781066.db2.gz LZGJZZKCPFZCKO-QFBILLFUSA-N 1 0 495.455 3.611 20 0 JHADRO CCOc1ccc2c(c1)CN(c1nnc(CC(C)C)n1CC1(O)CC[NH+](C(C)C)CC1)CC2 ZINC001314197874 1069781389 /nfs/dbraw/zinc/78/13/89/1069781389.db2.gz FUKBLDJNIJFHHZ-UHFFFAOYSA-N 1 0 455.647 3.673 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3cscn3)CC2)CC1 ZINC001307046349 1069785481 /nfs/dbraw/zinc/78/54/81/1069785481.db2.gz YNALVDRDZAOZEV-UHFFFAOYSA-N 1 0 459.708 3.767 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N3C[C@@H](C)[C@H](C(F)(F)F)C3)nnc2[C@]2(OCC)CCOC2)CC1 ZINC001307046516 1069785529 /nfs/dbraw/zinc/78/55/29/1069785529.db2.gz LSCXDMGWRYAYCY-JUXOCIIHSA-N 1 0 473.584 3.687 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N[C@H](C)CC)CC1 ZINC001307046705 1069785972 /nfs/dbraw/zinc/78/59/72/1069785972.db2.gz ZSASTDDJASPQQP-QGZVFWFLSA-N 1 0 462.042 3.609 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@H](C(=O)OC)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001314198970 1069786049 /nfs/dbraw/zinc/78/60/49/1069786049.db2.gz QNEPHSJQNLQAQG-VSKRKVRLSA-N 1 0 499.656 3.938 20 0 JHADRO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001312216052 1069787438 /nfs/dbraw/zinc/78/74/38/1069787438.db2.gz BSQSZVADRQWLMH-ZYQDXHPFSA-N 1 0 454.590 3.550 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCC(n3ccc(C(F)(F)F)n3)CC2)C1 ZINC001307047082 1069788322 /nfs/dbraw/zinc/78/83/22/1069788322.db2.gz VBUFDTHFIJPIRB-KRWDZBQOSA-N 1 0 469.556 3.603 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCc4oncc4C3)n2CC[N@H+](C)C(C)C)cc1 ZINC001314199679 1069788659 /nfs/dbraw/zinc/78/86/59/1069788659.db2.gz SHTGJKGIWRDJMQ-GOSISDBHSA-N 1 0 454.575 3.708 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001307047332 1069789129 /nfs/dbraw/zinc/78/91/29/1069789129.db2.gz YKCIYRKXFAUHCX-JOCHJYFZSA-N 1 0 496.700 3.978 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001307047590 1069789791 /nfs/dbraw/zinc/78/97/91/1069789791.db2.gz VXGFMCHIPQAJSL-PXNSSMCTSA-N 1 0 498.118 3.579 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N(C)[C@@H](C)c3cccc(O)c3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001307047478 1069789871 /nfs/dbraw/zinc/78/98/71/1069789871.db2.gz TZRFHMGNMJQJPW-ISJBWFOZSA-N 1 0 471.646 3.954 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(OC)nc2)CC1 ZINC001307048048 1069792711 /nfs/dbraw/zinc/79/27/11/1069792711.db2.gz KYBBWNAQGCWGNP-UHFFFAOYSA-N 1 0 452.578 3.771 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2C[C@@H]2CCCCO2)cc1 ZINC001314201988 1069798942 /nfs/dbraw/zinc/79/89/42/1069798942.db2.gz XMWXOOGADBPMKF-MZKRTTBSSA-N 1 0 457.619 3.916 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2conc2COC)cc1 ZINC001314201921 1069799012 /nfs/dbraw/zinc/79/90/12/1069799012.db2.gz WPUYVVVOMJVMHP-IBGZPJMESA-N 1 0 498.628 3.920 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2C[C@H](C)Oc2ccccc2OC)CC1 ZINC001307050224 1069799403 /nfs/dbraw/zinc/79/94/03/1069799403.db2.gz BEZLSLUFMICLNF-WMZHIEFXSA-N 1 0 457.619 3.916 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001307050066 1069799491 /nfs/dbraw/zinc/79/94/91/1069799491.db2.gz UTNGUMUINSWDBN-UHFFFAOYSA-N 1 0 457.610 3.717 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccs2)CC1 ZINC001307050400 1069800103 /nfs/dbraw/zinc/80/01/03/1069800103.db2.gz RKFVPFYQPJYWFG-DEOSSOPVSA-N 1 0 461.676 3.934 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001314201255 1069795355 /nfs/dbraw/zinc/79/53/55/1069795355.db2.gz VWNSULVQUIWMQA-FDFHNCONSA-N 1 0 498.672 3.604 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001307049116 1069795502 /nfs/dbraw/zinc/79/55/02/1069795502.db2.gz HVUJUNWSLRWVHD-KRWDZBQOSA-N 1 0 461.561 3.671 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 ZINC001307049022 1069795964 /nfs/dbraw/zinc/79/59/64/1069795964.db2.gz GVMGKZYEMGXBQC-ZBLYBZFDSA-N 1 0 485.673 3.731 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)c(Cl)c2)CC1 ZINC001307049318 1069796527 /nfs/dbraw/zinc/79/65/27/1069796527.db2.gz JJCOQWJKHRGNAI-RUZDIDTESA-N 1 0 492.064 3.951 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](CC)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001314202565 1069803176 /nfs/dbraw/zinc/80/31/76/1069803176.db2.gz MRQUISGUMCCTBO-NHCUHLMSSA-N 1 0 487.645 3.543 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001307052582 1069808700 /nfs/dbraw/zinc/80/87/00/1069808700.db2.gz CNTAAJSKGFJYJH-VXKWHMMOSA-N 1 0 489.064 3.912 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC2(CC)CCOCC2)CC1 ZINC001307051683 1069805294 /nfs/dbraw/zinc/80/52/94/1069805294.db2.gz RVKAGOVXCRMFPI-UNMCSNQZSA-N 1 0 463.667 3.520 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@H]1c1ccc(Cl)cc1 ZINC001312252149 1069810470 /nfs/dbraw/zinc/81/04/70/1069810470.db2.gz JAPFUBMPRGUHQZ-KEIZBESESA-N 1 0 455.986 3.901 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001307053208 1069810667 /nfs/dbraw/zinc/81/06/67/1069810667.db2.gz BHDABTXUIYNSII-MSOLQXFVSA-N 1 0 489.462 3.639 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2F)CC1 ZINC001307053131 1069811157 /nfs/dbraw/zinc/81/11/57/1069811157.db2.gz JXXKUCUZQZAJQF-UHFFFAOYSA-N 1 0 470.618 3.768 20 0 JHADRO COc1ccc(C[N@@H+]2CCCN(C(=O)NCCOc3ncc(Cl)cc3Cl)CC2)cc1 ZINC001312260415 1069818423 /nfs/dbraw/zinc/81/84/23/1069818423.db2.gz YIUJLYQCUAZMJA-UHFFFAOYSA-N 1 0 453.370 3.693 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1CC ZINC001307055262 1069821504 /nfs/dbraw/zinc/82/15/04/1069821504.db2.gz ORPIKZPVJLLWOL-NHCUHLMSSA-N 1 0 459.660 3.992 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001307055730 1069822381 /nfs/dbraw/zinc/82/23/81/1069822381.db2.gz RNSTUJJEYUGTDK-FDFHNCONSA-N 1 0 498.672 3.748 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001307055641 1069822866 /nfs/dbraw/zinc/82/28/66/1069822866.db2.gz QVNDKKADOAZKPC-HSZRJFAPSA-N 1 0 484.693 3.579 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001307055061 1069819443 /nfs/dbraw/zinc/81/94/43/1069819443.db2.gz ONHBWAPDPUWPJG-DNVJHFABSA-N 1 0 482.673 3.966 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001307055943 1069824250 /nfs/dbraw/zinc/82/42/50/1069824250.db2.gz RMTODULVWBGQCZ-DHIUTWEWSA-N 1 0 452.647 3.951 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001307055927 1069824478 /nfs/dbraw/zinc/82/44/78/1069824478.db2.gz RFSQRSHWWOVWBN-MOPGFXCFSA-N 1 0 477.556 3.810 20 0 JHADRO CCOc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC001314208415 1069824524 /nfs/dbraw/zinc/82/45/24/1069824524.db2.gz BMUMWPCWXXJEMV-QFIPXVFZSA-N 1 0 454.663 3.530 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001307056019 1069825540 /nfs/dbraw/zinc/82/55/40/1069825540.db2.gz SIIIVJFWYYIGTL-BJKOFHAPSA-N 1 0 481.689 3.936 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001307056421 1069827050 /nfs/dbraw/zinc/82/70/50/1069827050.db2.gz SSFKDIJCOPAPRY-NZQKXSOJSA-N 1 0 498.672 3.674 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001307056382 1069827477 /nfs/dbraw/zinc/82/74/77/1069827477.db2.gz SJMZWMGDTIERSV-UYAOXDASSA-N 1 0 452.603 3.774 20 0 JHADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC001312271572 1069827953 /nfs/dbraw/zinc/82/79/53/1069827953.db2.gz XUBZNVJPLQVOMO-FQEVSTJZSA-N 1 0 457.644 3.520 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001307056901 1069830545 /nfs/dbraw/zinc/83/05/45/1069830545.db2.gz CVBWZXRFOSRBRC-XZOQPEGZSA-N 1 0 497.688 3.879 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001307058224 1069838022 /nfs/dbraw/zinc/83/80/22/1069838022.db2.gz YQAGZBOSSOZSLR-QFIPXVFZSA-N 1 0 489.064 3.594 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCSC(C)(C)C1 ZINC001307057393 1069834758 /nfs/dbraw/zinc/83/47/58/1069834758.db2.gz FEVJNVJUCUVXNF-SFHVURJKSA-N 1 0 476.716 3.866 20 0 JHADRO COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)C1 ZINC001312280728 1069834836 /nfs/dbraw/zinc/83/48/36/1069834836.db2.gz WBMIPCALVRXFPO-MOPGFXCFSA-N 1 0 450.505 3.895 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C(N)=O)CC1 ZINC001307057619 1069835079 /nfs/dbraw/zinc/83/50/79/1069835079.db2.gz XRIVWXKABDGYKY-IBGZPJMESA-N 1 0 475.037 3.573 20 0 JHADRO O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001312281928 1069835342 /nfs/dbraw/zinc/83/53/42/1069835342.db2.gz YODQMCQYRHWHHD-QHAWAJNXSA-N 1 0 450.421 3.967 20 0 JHADRO CCOc1ccccc1CCn1c(-c2cnn(C)c2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001314212965 1069839641 /nfs/dbraw/zinc/83/96/41/1069839641.db2.gz SQQQKXNOJUDDKO-UHFFFAOYSA-N 1 0 451.619 3.631 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001307059221 1069842983 /nfs/dbraw/zinc/84/29/83/1069842983.db2.gz UQLTWXYYWPRCCM-OALUTQOASA-N 1 0 498.068 3.874 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(F)F)CC1 ZINC001307059297 1069844326 /nfs/dbraw/zinc/84/43/26/1069844326.db2.gz RKRILZZKDGXKQR-QFIPXVFZSA-N 1 0 460.617 3.829 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001307059539 1069845547 /nfs/dbraw/zinc/84/55/47/1069845547.db2.gz UKXPJHIQSCGZAP-GOTSBHOMSA-N 1 0 468.646 3.535 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC001307059726 1069845663 /nfs/dbraw/zinc/84/56/63/1069845663.db2.gz ZKCHFHLPGSZNQR-FCHUYYIVSA-N 1 0 457.667 3.542 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001307059844 1069846915 /nfs/dbraw/zinc/84/69/15/1069846915.db2.gz WKWOLUOMHGSJSH-DHIUTWEWSA-N 1 0 482.673 3.830 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001307060660 1069850041 /nfs/dbraw/zinc/85/00/41/1069850041.db2.gz BIGNWPBITJGJCF-PMACEKPBSA-N 1 0 469.634 3.708 20 0 JHADRO CCCN1CCCN(c2nnc(C(C)C)n2CC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1=O ZINC001307061203 1069851558 /nfs/dbraw/zinc/85/15/58/1069851558.db2.gz GFGQZNWFZYFUNC-UHFFFAOYSA-N 1 0 452.647 3.687 20 0 JHADRO C[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312314016 1069856454 /nfs/dbraw/zinc/85/64/54/1069856454.db2.gz BJNUPWNJRPGATE-WDSOQIARSA-N 1 0 458.965 3.794 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001307062504 1069857483 /nfs/dbraw/zinc/85/74/83/1069857483.db2.gz JTFXWJYSQLMKKO-RTWAWAEBSA-N 1 0 469.634 3.628 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](OC)C(C)(C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001314218222 1069857862 /nfs/dbraw/zinc/85/78/62/1069857862.db2.gz UBXXWDKQVLUEJN-QHCPKHFHSA-N 1 0 471.646 3.849 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C[C@H]1c1cccc(F)c1 ZINC001312321331 1069862170 /nfs/dbraw/zinc/86/21/70/1069862170.db2.gz QOMXQIROPGFDNA-PCCBWWKXSA-N 1 0 469.561 3.502 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[C@@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314218703 1069859567 /nfs/dbraw/zinc/85/95/67/1069859567.db2.gz UEJWVBGAPXWQFU-AXHZCLLHSA-N 1 0 459.660 3.785 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[C@@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314218705 1069859651 /nfs/dbraw/zinc/85/96/51/1069859651.db2.gz UEJWVBGAPXWQFU-JXQFQVJHSA-N 1 0 459.660 3.785 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001307063094 1069861755 /nfs/dbraw/zinc/86/17/55/1069861755.db2.gz MGVHYZREJDSLRA-XLIONFOSSA-N 1 0 463.001 3.923 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001307063392 1069862545 /nfs/dbraw/zinc/86/25/45/1069862545.db2.gz RIRFMDFFSUKDBC-HXUWFJFHSA-N 1 0 485.652 3.979 20 0 JHADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001312321663 1069861838 /nfs/dbraw/zinc/86/18/38/1069861838.db2.gz UAWKPYUETCDWEA-MRXNPFEDSA-N 1 0 456.400 3.806 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1=O ZINC001307064267 1069866089 /nfs/dbraw/zinc/86/60/89/1069866089.db2.gz AHWLYEIEBOWICH-ZBLYBZFDSA-N 1 0 484.664 3.967 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC(C)(C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001314221003 1069869855 /nfs/dbraw/zinc/86/98/55/1069869855.db2.gz AGBZACQPOIZPST-UHFFFAOYSA-N 1 0 471.646 3.729 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC(F)(F)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001314221452 1069872280 /nfs/dbraw/zinc/87/22/80/1069872280.db2.gz YRTVNSKQJRQEMK-FQEVSTJZSA-N 1 0 492.615 3.517 20 0 JHADRO CCCN1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1=O ZINC001307066415 1069875547 /nfs/dbraw/zinc/87/55/47/1069875547.db2.gz NWQQDCHAUUERKJ-QFIPXVFZSA-N 1 0 484.048 3.689 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[C@@H](C(=O)OC)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001314222261 1069875659 /nfs/dbraw/zinc/87/56/59/1069875659.db2.gz KNCFPWOJMNCAGH-OAQYLSRUSA-N 1 0 499.656 3.910 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N(C)CC(=O)NC(C)C)nnc1C1(c2ccccc2)CCC1 ZINC001307065950 1069873141 /nfs/dbraw/zinc/87/31/41/1069873141.db2.gz GQONYKVUGYPLCU-QHCPKHFHSA-N 1 0 466.674 3.973 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001307065931 1069873379 /nfs/dbraw/zinc/87/33/79/1069873379.db2.gz GHTGKSHBIPFEJW-YYTDSSBASA-N 1 0 474.694 3.553 20 0 JHADRO CCOc1ccccc1N1CCN(c2nnc(C(C)(C)C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001314221678 1069873671 /nfs/dbraw/zinc/87/36/71/1069873671.db2.gz VWRYIWKBVOXEDO-VWLOTQADSA-N 1 0 472.703 3.738 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001307069216 1069880199 /nfs/dbraw/zinc/88/01/99/1069880199.db2.gz RATSLZXJRWBOCW-HSZRJFAPSA-N 1 0 498.672 3.577 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1C(C)(C)C ZINC001307069409 1069882084 /nfs/dbraw/zinc/88/20/84/1069882084.db2.gz TUNRKMDFKSMCNC-SFHVURJKSA-N 1 0 474.679 3.547 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nnc1C(C)(C)C ZINC001307070177 1069885210 /nfs/dbraw/zinc/88/52/10/1069885210.db2.gz YNKDQARNVTYINZ-FCHUYYIVSA-N 1 0 494.750 3.671 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001307069804 1069882834 /nfs/dbraw/zinc/88/28/34/1069882834.db2.gz UFQJBFRUDSHCTG-HXUWFJFHSA-N 1 0 464.655 3.573 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1C(C)(C)C ZINC001307070179 1069884598 /nfs/dbraw/zinc/88/45/98/1069884598.db2.gz YNKDQARNVTYINZ-VXKWHMMOSA-N 1 0 494.750 3.671 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001314224356 1069884967 /nfs/dbraw/zinc/88/49/67/1069884967.db2.gz BAQFLXZIGBHPSQ-OTPAQWSUSA-N 1 0 471.646 3.847 20 0 JHADRO C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001312365820 1069890079 /nfs/dbraw/zinc/89/00/79/1069890079.db2.gz DAIKYIQHJJTRQJ-NBGIEHNGSA-N 1 0 452.599 3.923 20 0 JHADRO CC(C)N1C(=O)C[C@@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312366316 1069890181 /nfs/dbraw/zinc/89/01/81/1069890181.db2.gz MQAJQGPRMXYZLI-IFMALSPDSA-N 1 0 450.986 3.846 20 0 JHADRO CC(C)N1C(=O)C[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312366936 1069890922 /nfs/dbraw/zinc/89/09/22/1069890922.db2.gz QGXVRYHKGKBUGQ-CTNGQTDRSA-N 1 0 453.002 3.951 20 0 JHADRO CC(C)N1C(=O)C[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312366939 1069890940 /nfs/dbraw/zinc/89/09/40/1069890940.db2.gz QGXVRYHKGKBUGQ-TZIWHRDSSA-N 1 0 453.002 3.951 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314225781 1069892058 /nfs/dbraw/zinc/89/20/58/1069892058.db2.gz NZSSUVDYNOIMSM-BGYRXZFFSA-N 1 0 457.619 3.744 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCCOCC2)n1CC[N@H+](C)C1CCCCC1 ZINC001314226308 1069893537 /nfs/dbraw/zinc/89/35/37/1069893537.db2.gz DCKBKAKFRAQBIJ-UHFFFAOYSA-N 1 0 457.619 3.747 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@@H]1OCCC1(C)C ZINC001314226427 1069895781 /nfs/dbraw/zinc/89/57/81/1069895781.db2.gz UDKFQCHDFCRSCH-KNQAVFIVSA-N 1 0 457.619 3.601 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@H](OC)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314226969 1069899919 /nfs/dbraw/zinc/89/99/19/1069899919.db2.gz XCCWNQPWEKONEL-WOVHNISZSA-N 1 0 471.646 3.991 20 0 JHADRO C[C@@H](NC(=O)N1CC(O)(c2cccc(Br)c2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312385545 1069900405 /nfs/dbraw/zinc/90/04/05/1069900405.db2.gz ZYKAQBRYEZYCHI-MJGOQNOKSA-N 1 0 458.400 3.573 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@H](CC)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001314227706 1069903191 /nfs/dbraw/zinc/90/31/91/1069903191.db2.gz AOZRHFJKMCPGFC-NHCUHLMSSA-N 1 0 457.619 3.603 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCOCC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314228237 1069906190 /nfs/dbraw/zinc/90/61/90/1069906190.db2.gz GTBZHXZUECGJJO-OYRHEFFESA-N 1 0 471.646 3.849 20 0 JHADRO CC[C@@]1(CNC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)OCCc2ccccc21 ZINC001312395639 1069908372 /nfs/dbraw/zinc/90/83/72/1069908372.db2.gz ZAFDEOAAIUPYNP-MHZLTWQESA-N 1 0 451.611 3.881 20 0 JHADRO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001312401271 1069911362 /nfs/dbraw/zinc/91/13/62/1069911362.db2.gz QAPVVRFSOUSWQG-HOJAQTOUSA-N 1 0 456.537 3.765 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc(CC(C)C)n3CCC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC001314229264 1069911339 /nfs/dbraw/zinc/91/13/39/1069911339.db2.gz PXRIVVJSSBQMHN-JOCHJYFZSA-N 1 0 484.693 3.647 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@H]1CCC[N@@H+]1CC ZINC001314229559 1069912615 /nfs/dbraw/zinc/91/26/15/1069912615.db2.gz VNFRAMXCUUZULL-VQTJNVASSA-N 1 0 457.619 3.744 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](C)[NH+]3CCC(C)CC3)CC2)n1 ZINC001314229732 1069913486 /nfs/dbraw/zinc/91/34/86/1069913486.db2.gz ZZIYTXFHYFHTGE-QFIPXVFZSA-N 1 0 498.720 3.893 20 0 JHADRO C[NH+](C)CCN1CCN(C(=O)N[C@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)CC1=O ZINC001312409121 1069914763 /nfs/dbraw/zinc/91/47/63/1069914763.db2.gz OJJMVRKIJAOGRI-QUCCMNQESA-N 1 0 454.537 3.537 20 0 JHADRO CCOc1ncccc1Cn1c(COc2ccc(F)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001314232763 1069923049 /nfs/dbraw/zinc/92/30/49/1069923049.db2.gz JSVRKFVYNGAFHG-UHFFFAOYSA-N 1 0 468.577 3.805 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)[NH+]2CCCC2)C1(C)C ZINC001314240704 1069942691 /nfs/dbraw/zinc/94/26/91/1069942691.db2.gz UCQWEJMABRQDJR-XPWALMASSA-N 1 0 482.673 3.893 20 0 JHADRO 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C[C@H]1[C@@H](NC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001312815784 1070139875 /nfs/dbraw/zinc/13/98/75/1070139875.db2.gz NZXMEMBMJDEPOC-CVDCTZTESA-N 1 0 455.002 3.861 20 0 JHADRO O=C(NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001312824032 1070143649 /nfs/dbraw/zinc/14/36/49/1070143649.db2.gz RDGLJJOQIKNFSW-SGNDLWITSA-N 1 0 458.002 3.839 20 0 JHADRO COc1ccccc1[C@H](CO)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312838032 1070148022 /nfs/dbraw/zinc/14/80/22/1070148022.db2.gz DESGCSJSRKEXIZ-GVAUOCQISA-N 1 0 463.553 3.835 20 0 JHADRO CCOCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001314345821 1070151337 /nfs/dbraw/zinc/15/13/37/1070151337.db2.gz COASCPKTMIPADE-UHFFFAOYSA-N 1 0 466.552 3.926 20 0 JHADRO C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(=O)NCc1ccccc1 ZINC001312840183 1070149890 /nfs/dbraw/zinc/14/98/90/1070149890.db2.gz RXTJVVUHZGKLBW-YMSRPXOMSA-N 1 0 474.580 3.798 20 0 JHADRO 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CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307748719 1070164715 /nfs/dbraw/zinc/16/47/15/1070164715.db2.gz PEMCDGODSGZZJA-VQTJNVASSA-N 1 0 453.624 3.735 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001312884348 1070166305 /nfs/dbraw/zinc/16/63/05/1070166305.db2.gz FKYPZEZFLBDNJI-HUVFLSCGSA-N 1 0 459.537 3.585 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001312883737 1070166416 /nfs/dbraw/zinc/16/64/16/1070166416.db2.gz CTJCORZAFNQYNM-BAGYTPMASA-N 1 0 465.516 3.575 20 0 JHADRO CCOCc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001314351291 1070170996 /nfs/dbraw/zinc/17/09/96/1070170996.db2.gz BNZIQKMFWIXHMY-IBGZPJMESA-N 1 0 492.068 3.674 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC001312886804 1070168032 /nfs/dbraw/zinc/16/80/32/1070168032.db2.gz UGAFOOUMGUQJGH-BXXSPATCSA-N 1 0 457.640 3.883 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(CCO)[C@H]1CCCc2ccccc21 ZINC001312886878 1070168147 /nfs/dbraw/zinc/16/81/47/1070168147.db2.gz VOUDMOAEDFJPIO-DMTNHVFBSA-N 1 0 451.611 3.605 20 0 JHADRO Cc1ccc([C@@H](NC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)C2CC2)cc1 ZINC001307773335 1070177882 /nfs/dbraw/zinc/17/78/82/1070177882.db2.gz HXFZFPSQGWFXRC-GPXOXTDOSA-N 1 0 471.642 3.957 20 0 JHADRO CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C[NH+]2CCCCCCCC2)c(=O)[nH]c1=O ZINC001307773206 1070177671 /nfs/dbraw/zinc/17/76/71/1070177671.db2.gz MIGKXUXWDWTGAG-UHFFFAOYSA-N 1 0 455.603 3.521 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCC[N@H+](CC(=O)NCCCOC3CCCCC3)C2)C1 ZINC001307773094 1070176962 /nfs/dbraw/zinc/17/69/62/1070176962.db2.gz KMSJDGFPMDBBJZ-NHCUHLMSSA-N 1 0 451.652 3.811 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](OCc3cccc(OC)c3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314353136 1070173094 /nfs/dbraw/zinc/17/30/94/1070173094.db2.gz VKDDIQDKFZQBGF-PKTZIBPZSA-N 1 0 471.646 3.739 20 0 JHADRO Cc1c(Cl)cccc1N1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC001307765914 1070174354 /nfs/dbraw/zinc/17/43/54/1070174354.db2.gz SDBPALDZAKOKBB-LJQANCHMSA-N 1 0 458.002 3.679 20 0 JHADRO CC1(C)[C@@H]([NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C[C@@H]1OCc1ccccc1 ZINC001307777053 1070179583 /nfs/dbraw/zinc/17/95/83/1070179583.db2.gz DIXAKBYYEAYVOS-OALUTQOASA-N 1 0 452.523 3.595 20 0 JHADRO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312924476 1070182657 /nfs/dbraw/zinc/18/26/57/1070182657.db2.gz BUMVFBRRCIOUDT-HGSOSGBHSA-N 1 0 473.658 3.835 20 0 JHADRO CCOCc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314358881 1070181471 /nfs/dbraw/zinc/18/14/71/1070181471.db2.gz OXGKPELOURADSZ-ZHRRBRCNSA-N 1 0 481.567 3.697 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314359705 1070182200 /nfs/dbraw/zinc/18/22/00/1070182200.db2.gz DOLJIWDZLWELHF-SFHVURJKSA-N 1 0 490.052 3.593 20 0 JHADRO CC(=O)N1CCC([N@H+](CCOc2cc(F)cc(Br)c2)Cc2cncs2)CC1 ZINC001307793900 1070184629 /nfs/dbraw/zinc/18/46/29/1070184629.db2.gz MHIMWEQDGCTHCT-UHFFFAOYSA-N 1 0 456.381 3.937 20 0 JHADRO Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)ccc1F ZINC001307794321 1070184692 /nfs/dbraw/zinc/18/46/92/1070184692.db2.gz XEVAVKUGONBUBQ-GOSISDBHSA-N 1 0 459.587 3.549 20 0 JHADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC001307797049 1070186154 /nfs/dbraw/zinc/18/61/54/1070186154.db2.gz UXHUDAFTVVVYFT-AFMDSPMNSA-N 1 0 450.583 3.692 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@@H+]2CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC001307805539 1070191424 /nfs/dbraw/zinc/19/14/24/1070191424.db2.gz XGWCJMZMKQFAME-RXVVDRJESA-N 1 0 452.617 3.580 20 0 JHADRO CCOCC(C)(C)[NH2+]CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 ZINC001307806573 1070192298 /nfs/dbraw/zinc/19/22/98/1070192298.db2.gz XBGQYKJRFHSJOA-UHFFFAOYSA-N 1 0 459.612 3.539 20 0 JHADRO O=C1[C@@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)CCCN1c1ccc(OC(F)F)cc1 ZINC001307806715 1070192406 /nfs/dbraw/zinc/19/24/06/1070192406.db2.gz DYGWAAJSEJLLAL-ROUUACIJSA-N 1 0 455.299 3.869 20 0 JHADRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001307808494 1070193290 /nfs/dbraw/zinc/19/32/90/1070193290.db2.gz LXGORYOSQVNQGO-PMACEKPBSA-N 1 0 452.574 3.731 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001314367013 1070200193 /nfs/dbraw/zinc/20/01/93/1070200193.db2.gz QKBKMMHSWOIPTM-NHCUHLMSSA-N 1 0 478.682 3.772 20 0 JHADRO O=C(C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1)Nc1ccccc1S(=O)(=O)C(F)F ZINC001307825212 1070201681 /nfs/dbraw/zinc/20/16/81/1070201681.db2.gz YSWCLQRZIIJFOA-FQEVSTJZSA-N 1 0 452.523 3.505 20 0 JHADRO CC[N@H+](CCCNC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1)C1CCCCC1 ZINC001312964787 1070202493 /nfs/dbraw/zinc/20/24/93/1070202493.db2.gz XJSMXRQKQSQUCF-QFIPXVFZSA-N 1 0 450.649 3.647 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(C(=O)CC[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)CC1 ZINC001307840382 1070208194 /nfs/dbraw/zinc/20/81/94/1070208194.db2.gz BNFFURGQTUDDJP-HSZRJFAPSA-N 1 0 459.631 3.730 20 0 JHADRO COc1ccc([C@H](O)C[N@H+](CC(=O)N2C[C@H](C)OC(C)(C)C2)[C@@H](C)Cc2ccccc2)cc1 ZINC001307845198 1070209531 /nfs/dbraw/zinc/20/95/31/1070209531.db2.gz RFODPGURAAVRDW-STWLZBDKSA-N 1 0 454.611 3.688 20 0 JHADRO COc1ccc([C@H](O)C[N@H+](CCn2cnc(Br)n2)[C@H](C)Cc2ccccc2)cc1 ZINC001307846308 1070209582 /nfs/dbraw/zinc/20/95/82/1070209582.db2.gz VIOIIMNVNIJQSB-DYESRHJHSA-N 1 0 459.388 3.716 20 0 JHADRO C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)CCOc2ccccc2F)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307858244 1070213325 /nfs/dbraw/zinc/21/33/25/1070213325.db2.gz IXJOKZJZFAFWOZ-CEXWTWQISA-N 1 0 451.583 3.534 20 0 JHADRO COc1ccc(Br)cc1C1([NH2+]CCCS(=O)(=O)c2ccccc2OC)CC1 ZINC001307870433 1070218287 /nfs/dbraw/zinc/21/82/87/1070218287.db2.gz OQGHYIBYZBLMSR-UHFFFAOYSA-N 1 0 454.386 3.909 20 0 JHADRO CCOCc1nnc(N2CCCC[C@@H](COC)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314378015 1070220318 /nfs/dbraw/zinc/22/03/18/1070220318.db2.gz UQRFMMPYXQDQCX-OAQYLSRUSA-N 1 0 455.647 3.904 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314384230 1070228065 /nfs/dbraw/zinc/22/80/65/1070228065.db2.gz BFPKMJSVDPMXEQ-QHAWAJNXSA-N 1 0 478.682 3.628 20 0 JHADRO CNC(=O)c1cc(O[C@H]2CCC[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)ccn1 ZINC001307891811 1070227371 /nfs/dbraw/zinc/22/73/71/1070227371.db2.gz XFTWPDCBIUTKSE-INIZCTEOSA-N 1 0 451.354 3.620 20 0 JHADRO CNC(=O)c1cc(O[C@H]2CCC[N@H+](Cc3cc(Br)cc4cccnc43)C2)ccn1 ZINC001307889415 1070227662 /nfs/dbraw/zinc/22/76/62/1070227662.db2.gz CEJWXXYOHYZIFY-IBGZPJMESA-N 1 0 455.356 3.795 20 0 JHADRO CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001313024461 1070224574 /nfs/dbraw/zinc/22/45/74/1070224574.db2.gz YKZBDNFWOAKYCL-QFIPXVFZSA-N 1 0 455.599 3.631 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314381487 1070224733 /nfs/dbraw/zinc/22/47/33/1070224733.db2.gz JTJIADRUOINIDC-GOTSBHOMSA-N 1 0 496.700 3.842 20 0 JHADRO CC[C@H](NC(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F)C1CC1 ZINC001313024484 1070224847 /nfs/dbraw/zinc/22/48/47/1070224847.db2.gz LMMNRDNPSPDFOM-FQEVSTJZSA-N 1 0 455.416 3.536 20 0 JHADRO Cc1cc(C[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)cc(S(N)(=O)=O)c1C ZINC001307894495 1070229340 /nfs/dbraw/zinc/22/93/40/1070229340.db2.gz IPHRESGFPWIHEZ-SFHVURJKSA-N 1 0 451.633 3.562 20 0 JHADRO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC001307904657 1070233159 /nfs/dbraw/zinc/23/31/59/1070233159.db2.gz QLGYZLISLLLTBM-NYHFZMIOSA-N 1 0 477.403 3.584 20 0 JHADRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC001307916668 1070239176 /nfs/dbraw/zinc/23/91/76/1070239176.db2.gz HKXLJAHRQZRUAN-FXAWDEMLSA-N 1 0 454.537 3.737 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+][C@H](C(N)=O)c2ccccc2)cc1F ZINC001307921505 1070243217 /nfs/dbraw/zinc/24/32/17/1070243217.db2.gz YOMVBLLBQXRFHL-VCOUNFBDSA-N 1 0 457.546 3.744 20 0 JHADRO CCOCc1nnc(N2CCN(c3cc(C)ccc3C)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314388677 1070239433 /nfs/dbraw/zinc/23/94/33/1070239433.db2.gz ARXAXSCKSZKHPQ-UHFFFAOYSA-N 1 0 454.663 3.880 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001314390056 1070243478 /nfs/dbraw/zinc/24/34/78/1070243478.db2.gz HYQPKNVCCDHTEM-HQOBLLPJSA-N 1 0 495.590 3.965 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCOc1ccc(F)c(Cl)c1 ZINC001314389612 1070242088 /nfs/dbraw/zinc/24/20/88/1070242088.db2.gz BPWIAXQDCAJACD-QGZVFWFLSA-N 1 0 466.001 3.997 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001314391333 1070245933 /nfs/dbraw/zinc/24/59/33/1070245933.db2.gz QMFJYTWJJYYYDL-REWPJTCUSA-N 1 0 458.626 3.789 20 0 JHADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001307929487 1070246981 /nfs/dbraw/zinc/24/69/81/1070246981.db2.gz WSJGUONPGNBOSA-RXVVDRJESA-N 1 0 454.792 3.660 20 0 JHADRO COc1cc(NC(=O)CC[N@@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)cc(OC)c1OC ZINC001307931369 1070247888 /nfs/dbraw/zinc/24/78/88/1070247888.db2.gz QJRNWGNNPHBGSO-RUZDIDTESA-N 1 0 454.523 3.541 20 0 JHADRO CN(C)C(=O)c1ccc(OC2CC[NH+](CCc3cc(Cl)c4c(c3)OCCCO4)CC2)nc1 ZINC001307922095 1070244152 /nfs/dbraw/zinc/24/41/52/1070244152.db2.gz SVFRZPZHJCLMIO-UHFFFAOYSA-N 1 0 459.974 3.684 20 0 JHADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001307939787 1070249933 /nfs/dbraw/zinc/24/99/33/1070249933.db2.gz YEFQRHRKUWNCKO-MRXNPFEDSA-N 1 0 450.555 3.602 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(F)cc1C(F)(F)F ZINC001314393640 1070250898 /nfs/dbraw/zinc/25/08/98/1070250898.db2.gz CVWMDNDWKCEOHG-MRXNPFEDSA-N 1 0 485.526 3.710 20 0 JHADRO O[C@H](C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)COc1cc(F)cc(Br)c1 ZINC001307939808 1070251014 /nfs/dbraw/zinc/25/10/14/1070251014.db2.gz UTUQXBMXDVLCDI-QGPMSJSTSA-N 1 0 464.253 3.852 20 0 JHADRO C[C@H](NC(=O)CNC(=O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1)c1ccc(F)cc1 ZINC001307950660 1070255515 /nfs/dbraw/zinc/25/55/15/1070255515.db2.gz ZQKYSHGZQSFYKJ-HNNXBMFYSA-N 1 0 451.464 3.807 20 0 JHADRO Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001313122939 1070258791 /nfs/dbraw/zinc/25/87/91/1070258791.db2.gz RGUDFLAYWAVZQF-XLIONFOSSA-N 1 0 454.398 3.952 20 0 JHADRO CCOCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1ccc(C)cc1SC ZINC001314398833 1070258996 /nfs/dbraw/zinc/25/89/96/1070258996.db2.gz OVMHLEKBYIVSDX-SZPZYZBQSA-N 1 0 486.730 3.888 20 0 JHADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[nH]1 ZINC001307961008 1070259324 /nfs/dbraw/zinc/25/93/24/1070259324.db2.gz CFLBBRRIIBUJBZ-WBVHZDCISA-N 1 0 468.579 3.593 20 0 JHADRO COc1ccc(OC)c([C@H](O)CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1 ZINC001313123674 1070259427 /nfs/dbraw/zinc/25/94/27/1070259427.db2.gz HSWPXBGNLASFBZ-RBUKOAKNSA-N 1 0 456.370 3.646 20 0 JHADRO O=C(NCc1nnc(C2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)[nH]1)OCc1ccccc1 ZINC001307961203 1070259578 /nfs/dbraw/zinc/25/95/78/1070259578.db2.gz HXKWSPINCPORON-QGZVFWFLSA-N 1 0 452.386 3.994 20 0 JHADRO C[NH+](C)C[C@@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC001313124382 1070259708 /nfs/dbraw/zinc/25/97/08/1070259708.db2.gz NWBWKSRSTHXPQM-REDKUUPNSA-N 1 0 472.413 3.596 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001314399098 1070259742 /nfs/dbraw/zinc/25/97/42/1070259742.db2.gz QJAFKLMIHQQUMR-UHFFFAOYSA-N 1 0 463.573 3.874 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)N2CCCC[C@H]2C[C@@H](C)O)cc1 ZINC001313133555 1070263639 /nfs/dbraw/zinc/26/36/39/1070263639.db2.gz SRZZMSJEQLPYBX-RTOPKKFASA-N 1 0 451.611 3.998 20 0 JHADRO COc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)c3ccc4[nH]c(=O)oc4c3)n2)c(OC)c1 ZINC001307970798 1070263975 /nfs/dbraw/zinc/26/39/75/1070263975.db2.gz LCBHHSHECQLOSD-LBPRGKRZSA-N 1 0 454.508 3.963 20 0 JHADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cc1 ZINC001307974665 1070264878 /nfs/dbraw/zinc/26/48/78/1070264878.db2.gz CTRKLVPGJRYYDL-RUZDIDTESA-N 1 0 450.604 3.837 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314403101 1070264999 /nfs/dbraw/zinc/26/49/99/1070264999.db2.gz IXIYSLWBPDCCFI-VQTJNVASSA-N 1 0 474.606 3.599 20 0 JHADRO Cc1ccc([C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C)S(C)(=O)=O)cc1 ZINC001313137180 1070265705 /nfs/dbraw/zinc/26/57/05/1070265705.db2.gz KZSIOOVBHOXZCC-FAYOUJPWSA-N 1 0 457.640 3.537 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314404277 1070266986 /nfs/dbraw/zinc/26/69/86/1070266986.db2.gz QKYUJWLSYUVESG-TZIWHRDSSA-N 1 0 459.978 3.942 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314404324 1070267138 /nfs/dbraw/zinc/26/71/38/1070267138.db2.gz ZWRBXCDSRGABPY-PMACEKPBSA-N 1 0 459.591 3.896 20 0 JHADRO Cc1ccc(NC(=O)CN(C)C(=O)CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cc1 ZINC001307984214 1070269804 /nfs/dbraw/zinc/26/98/04/1070269804.db2.gz YAQUQBJFAOGVLN-HXUWFJFHSA-N 1 0 451.398 3.591 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001314407811 1070272278 /nfs/dbraw/zinc/27/22/78/1070272278.db2.gz NEJQYTIALPXJGB-XMSQKQJNSA-N 1 0 463.573 3.793 20 0 JHADRO COc1cc(NC(=O)CC[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)cc(OC)c1OC ZINC001307995782 1070274293 /nfs/dbraw/zinc/27/42/93/1070274293.db2.gz GPYDMRBWYRJCTI-UHFFFAOYSA-N 1 0 458.559 3.646 20 0 JHADRO CCOCc1nnc(N2CCSC3(CCCCC3)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314412109 1070277855 /nfs/dbraw/zinc/27/78/55/1070277855.db2.gz LBMVNGGMTCAVIG-WOJBJXKFSA-N 1 0 451.681 3.570 20 0 JHADRO CCOCc1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001314411809 1070278107 /nfs/dbraw/zinc/27/81/07/1070278107.db2.gz NINCBIMUSBIFHP-WOIUINJBSA-N 1 0 459.660 3.991 20 0 JHADRO CCOCc1nnc(N2CCSC3(CCCCC3)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314412108 1070277906 /nfs/dbraw/zinc/27/79/06/1070277906.db2.gz LBMVNGGMTCAVIG-PMACEKPBSA-N 1 0 451.681 3.570 20 0 JHADRO CCOCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001314411801 1070277937 /nfs/dbraw/zinc/27/79/37/1070277937.db2.gz NINCBIMUSBIFHP-JQVVWYNYSA-N 1 0 459.660 3.991 20 0 JHADRO Cc1ccc(CN2CCO[C@H](CNC(=O)N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)C2)cc1 ZINC001313168037 1070276981 /nfs/dbraw/zinc/27/69/81/1070276981.db2.gz LWMXLFIEJTWGDF-ZEQKJWHPSA-N 1 0 456.675 3.882 20 0 JHADRO CCOCc1nnc(N2CCS[C@@H](C(C)C)C2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001314412145 1070277994 /nfs/dbraw/zinc/27/79/94/1070277994.db2.gz OAKZVUZSNLASRM-LJQANCHMSA-N 1 0 453.722 3.754 20 0 JHADRO COC[C@H]([NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(Br)c1 ZINC001308019821 1070283136 /nfs/dbraw/zinc/28/31/36/1070283136.db2.gz NSPHYPIPAQAILX-OALUTQOASA-N 1 0 457.409 3.734 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001314417028 1070283385 /nfs/dbraw/zinc/28/33/85/1070283385.db2.gz IVYVIDJEHIAHBY-RTWAWAEBSA-N 1 0 468.646 3.883 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001314417026 1070283434 /nfs/dbraw/zinc/28/34/34/1070283434.db2.gz IVYVIDJEHIAHBY-NHCUHLMSSA-N 1 0 468.646 3.883 20 0 JHADRO CCOCc1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001314417282 1070283792 /nfs/dbraw/zinc/28/37/92/1070283792.db2.gz PCSLVNQFXJQHIR-KDURUIRLSA-N 1 0 469.621 3.966 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)C2)C1 ZINC001308032618 1070287240 /nfs/dbraw/zinc/28/72/40/1070287240.db2.gz CAGCNBBSYZPLQW-LMVRJCEZSA-N 1 0 458.521 3.527 20 0 JHADRO O=C(NCCc1cc(Cl)cc(Br)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001313209347 1070293756 /nfs/dbraw/zinc/29/37/56/1070293756.db2.gz UWGWYBMHDLPJDY-UHFFFAOYSA-N 1 0 458.828 3.931 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001314422010 1070295445 /nfs/dbraw/zinc/29/54/45/1070295445.db2.gz VXXVRFIENCCLCS-VQTJNVASSA-N 1 0 462.038 3.698 20 0 JHADRO C[C@@H](NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC001313238977 1070302263 /nfs/dbraw/zinc/30/22/63/1070302263.db2.gz BFTNACMOZKEETQ-VGSWGCGISA-N 1 0 451.489 3.925 20 0 JHADRO C[C@@H]1C[N@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001308075288 1070303602 /nfs/dbraw/zinc/30/36/02/1070303602.db2.gz LHVIZIJHBLJAPI-YFVAEKQCSA-N 1 0 458.628 3.831 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314426846 1070305045 /nfs/dbraw/zinc/30/50/45/1070305045.db2.gz PZOKVWIEIIHKOD-GMAHTHKFSA-N 1 0 457.667 3.657 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001314427475 1070307004 /nfs/dbraw/zinc/30/70/04/1070307004.db2.gz YMSHRXNSAFHYNR-DEOSSOPVSA-N 1 0 499.700 3.962 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@](CO)([NH2+]CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC001308078522 1070305717 /nfs/dbraw/zinc/30/57/17/1070305717.db2.gz QFQGVZAZRZGCCK-RUZDIDTESA-N 1 0 455.555 3.769 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCCCC2)C1 ZINC001314429442 1070311057 /nfs/dbraw/zinc/31/10/57/1070311057.db2.gz LIXCIJXJOWKIAL-QFIPXVFZSA-N 1 0 468.646 3.886 20 0 JHADRO Cc1csc(C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C(=O)NCc3ccco3)C2)n1 ZINC001308104864 1070312098 /nfs/dbraw/zinc/31/20/98/1070312098.db2.gz HUESOCLVWGVJPZ-QZTJIDSGSA-N 1 0 452.580 3.866 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001314434600 1070320673 /nfs/dbraw/zinc/32/06/73/1070320673.db2.gz MLSALJCUQNEJNU-IAGOWNOFSA-N 1 0 465.440 3.630 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001314434602 1070320743 /nfs/dbraw/zinc/32/07/43/1070320743.db2.gz MLSALJCUQNEJNU-SJORKVTESA-N 1 0 465.440 3.630 20 0 JHADRO CCOC(=O)C1([C@@H](C)[NH2+]CC(=O)Nc2cc3oc4ccccc4c3cc2OC)CCOCC1 ZINC001308121954 1070320947 /nfs/dbraw/zinc/32/09/47/1070320947.db2.gz RYVSWHMLWYIJAY-MRXNPFEDSA-N 1 0 454.523 3.871 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)[C@H](C)CC)C1 ZINC001314435103 1070321364 /nfs/dbraw/zinc/32/13/64/1070321364.db2.gz COPDFYIKQVMBRD-VSKRKVRLSA-N 1 0 492.709 3.986 20 0 JHADRO CN(C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001313306317 1070322249 /nfs/dbraw/zinc/32/22/49/1070322249.db2.gz JUUUCRZSDCBZCC-WNOPAQSVSA-N 1 0 456.537 3.543 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001314435910 1070322621 /nfs/dbraw/zinc/32/26/21/1070322621.db2.gz IMPKNTWGYNUUQM-XZOQPEGZSA-N 1 0 455.647 3.541 20 0 JHADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC001308146106 1070328518 /nfs/dbraw/zinc/32/85/18/1070328518.db2.gz UOGLNEBWALRCCK-CQSZACIVSA-N 1 0 452.340 3.886 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001314437623 1070325611 /nfs/dbraw/zinc/32/56/11/1070325611.db2.gz VQVMYVNTXMRRBY-UTKZUKDTSA-N 1 0 459.541 3.906 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001314438374 1070326169 /nfs/dbraw/zinc/32/61/69/1070326169.db2.gz ZTPOVMBOYNPUDV-FQEVSTJZSA-N 1 0 473.637 3.760 20 0 JHADRO C[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1csc2ccccc21 ZINC001308142042 1070326935 /nfs/dbraw/zinc/32/69/35/1070326935.db2.gz OQAMNLTVWBHNMA-VOIUYBSRSA-N 1 0 450.564 3.526 20 0 JHADRO CN(C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC001313326534 1070327593 /nfs/dbraw/zinc/32/75/93/1070327593.db2.gz SMHPSSIFYDAQGM-RPBOFIJWSA-N 1 0 459.594 3.648 20 0 JHADRO C[N@H+](C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308166359 1070333198 /nfs/dbraw/zinc/33/31/98/1070333198.db2.gz JZMXVPISRKIQPI-LJQANCHMSA-N 1 0 453.624 3.734 20 0 JHADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1 ZINC001308172545 1070336018 /nfs/dbraw/zinc/33/60/18/1070336018.db2.gz FZERBPOPTFAJTH-MVIPISOYSA-N 1 0 458.603 3.989 20 0 JHADRO CC[N@H+](C)[C@H]1CCN(CC(=O)N[C@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC001308177031 1070337919 /nfs/dbraw/zinc/33/79/19/1070337919.db2.gz PFSQZQRQNWSOFP-PGRDOPGGSA-N 1 0 459.516 3.813 20 0 JHADRO CS(=O)(=O)Cc1ccc(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)cc1 ZINC001308215836 1070341853 /nfs/dbraw/zinc/34/18/53/1070341853.db2.gz GROKFQIOYNDWLI-UHFFFAOYSA-N 1 0 451.430 3.748 20 0 JHADRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cc1 ZINC001308227768 1070343188 /nfs/dbraw/zinc/34/31/88/1070343188.db2.gz QKVQTLVRZYDFBO-UHFFFAOYSA-N 1 0 455.599 3.712 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)CCO2 ZINC001308248671 1070345322 /nfs/dbraw/zinc/34/53/22/1070345322.db2.gz KZIDROCQZPBCFQ-LJQANCHMSA-N 1 0 451.995 3.608 20 0 JHADRO CCOCCCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001314450538 1070346212 /nfs/dbraw/zinc/34/62/12/1070346212.db2.gz NEWOMCBWOQHUED-UHFFFAOYSA-N 1 0 472.653 3.896 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001308256379 1070346744 /nfs/dbraw/zinc/34/67/44/1070346744.db2.gz MVMQQQJSXGPOMJ-UXHICEINSA-N 1 0 451.633 3.513 20 0 JHADRO NC(=O)C[C@@H](NC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1Cl ZINC001313404477 1070349178 /nfs/dbraw/zinc/34/91/78/1070349178.db2.gz RIWPJPJGGDBXSX-QTDGGUCWSA-N 1 0 455.002 3.856 20 0 JHADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@H]3CCN(c4ccccc4C(N)=O)C3)cc2C1 ZINC001308258827 1070347184 /nfs/dbraw/zinc/34/71/84/1070347184.db2.gz RMERANMGIJNYEF-KRWDZBQOSA-N 1 0 456.612 3.509 20 0 JHADRO COc1ccc(S(=O)(=O)N2CCC(C[NH2+]Cc3ccc(F)cc3Cl)CC2)cc1OC ZINC001308268874 1070348482 /nfs/dbraw/zinc/34/84/82/1070348482.db2.gz PQQZNVIZYSTKTL-UHFFFAOYSA-N 1 0 456.967 3.687 20 0 JHADRO CCCOc1c(Cl)cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1OC ZINC001308265645 1070348711 /nfs/dbraw/zinc/34/87/11/1070348711.db2.gz JEAVGARYRNFDEG-UHFFFAOYSA-N 1 0 458.930 3.789 20 0 JHADRO COc1c(Br)cc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1Br ZINC001308277392 1070350029 /nfs/dbraw/zinc/35/00/29/1070350029.db2.gz MKPBFUQWTDWEOQ-RYUDHWBXSA-N 1 0 455.212 3.666 20 0 JHADRO C[C@@H]1CC2(CN1C(=O)NC1CCN(c3cc[nH+]cc3)CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001313409374 1070350114 /nfs/dbraw/zinc/35/01/14/1070350114.db2.gz KWWIURBGCYADOY-LJQANCHMSA-N 1 0 457.619 3.872 20 0 JHADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC001313411653 1070351455 /nfs/dbraw/zinc/35/14/55/1070351455.db2.gz AEBBTWUHFFDXGO-XXBNENTESA-N 1 0 453.537 3.951 20 0 JHADRO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cc(Br)cnc2Cl)cc1 ZINC001308282395 1070351741 /nfs/dbraw/zinc/35/17/41/1070351741.db2.gz OELIJLIDGYCCSZ-UHFFFAOYSA-N 1 0 451.796 3.613 20 0 JHADRO Fc1ccc(-n2ccc(CC[NH2+]Cc3ccc(Br)cc3N3CCOCC3)n2)cc1 ZINC001308285050 1070352305 /nfs/dbraw/zinc/35/23/05/1070352305.db2.gz GULCKRUIUVCNGS-UHFFFAOYSA-N 1 0 459.363 3.943 20 0 JHADRO CCC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC001313419764 1070354402 /nfs/dbraw/zinc/35/44/02/1070354402.db2.gz YIVIPFNNNJXZNA-SFHVURJKSA-N 1 0 451.633 3.600 20 0 JHADRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 ZINC001308329895 1070357324 /nfs/dbraw/zinc/35/73/24/1070357324.db2.gz DZJKYLOHZALOHE-CVDCTZTESA-N 1 0 456.587 3.794 20 0 JHADRO COc1cc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc(I)c1OC ZINC001308325216 1070357443 /nfs/dbraw/zinc/35/74/43/1070357443.db2.gz YBRZREUEWONOST-UHFFFAOYSA-N 1 0 453.276 3.816 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CC)C1 ZINC001313446357 1070362426 /nfs/dbraw/zinc/36/24/26/1070362426.db2.gz BJQOCENJXLOILF-FPOVZHCZSA-N 1 0 459.660 3.849 20 0 JHADRO CCNC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)cc1OC ZINC001308372461 1070362918 /nfs/dbraw/zinc/36/29/18/1070362918.db2.gz CVLSXIBUZUVKOQ-AWEZNQCLSA-N 1 0 451.361 3.832 20 0 JHADRO Brc1ccccc1-n1cc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)nn1 ZINC001308370509 1070363138 /nfs/dbraw/zinc/36/31/38/1070363138.db2.gz MFLPBJWOHHMRHT-LJQANCHMSA-N 1 0 458.429 3.737 20 0 JHADRO CCCN1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[NH+]2CCCCC2)CC1=O ZINC001313446867 1070364203 /nfs/dbraw/zinc/36/42/03/1070364203.db2.gz PGALYXMZOJZFPO-UHFFFAOYSA-N 1 0 482.673 3.799 20 0 JHADRO COc1cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)ccc1OCc1ccc(Br)cc1 ZINC001308386300 1070365701 /nfs/dbraw/zinc/36/57/01/1070365701.db2.gz YGWGRWWKUJARMB-OALUTQOASA-N 1 0 450.373 3.771 20 0 JHADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([NH2+]Cc2cc3cnccc3o2)C1 ZINC001308391804 1070367518 /nfs/dbraw/zinc/36/75/18/1070367518.db2.gz HGCAOOVATGEGIH-MRXNPFEDSA-N 1 0 450.358 3.533 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001313448408 1070370910 /nfs/dbraw/zinc/37/09/10/1070370910.db2.gz RAODONZEUYFDTL-YZGWKJHDSA-N 1 0 478.037 3.722 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313448515 1070371050 /nfs/dbraw/zinc/37/10/50/1070371050.db2.gz JZNOSVXJGJYXNI-GBEXAXCTSA-N 1 0 488.721 3.766 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001313448519 1070371386 /nfs/dbraw/zinc/37/13/86/1070371386.db2.gz JZNOSVXJGJYXNI-JVNMPXIPSA-N 1 0 488.721 3.766 20 0 JHADRO Cn1cc(C[NH2+]C[C@H](O)c2ccccc2Br)c(-c2ccc3c(c2)OCCCO3)n1 ZINC001308436928 1070375251 /nfs/dbraw/zinc/37/52/51/1070375251.db2.gz DCSAPPNKVCRXDR-IBGZPJMESA-N 1 0 458.356 3.834 20 0 JHADRO CCOCCN(C)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314466509 1070376881 /nfs/dbraw/zinc/37/68/81/1070376881.db2.gz DSIMSTZLGKLOOX-BGYRXZFFSA-N 1 0 466.630 3.854 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001313450177 1070377380 /nfs/dbraw/zinc/37/73/80/1070377380.db2.gz LUNZWOFEZFLHDX-CTNGQTDRSA-N 1 0 455.651 3.525 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313451536 1070380456 /nfs/dbraw/zinc/38/04/56/1070380456.db2.gz WZWVQXUTZVJYRT-NNWRFLSQSA-N 1 0 490.693 3.786 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001313450589 1070378129 /nfs/dbraw/zinc/37/81/29/1070378129.db2.gz ZRBBYEBFGAKBSL-IRLDBZIGSA-N 1 0 452.647 3.690 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC001308468006 1070379486 /nfs/dbraw/zinc/37/94/86/1070379486.db2.gz IDXYGJZAFGJYOF-IZZNHLLZSA-N 1 0 481.637 3.890 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001313451024 1070379734 /nfs/dbraw/zinc/37/97/34/1070379734.db2.gz QIDLGLQNQNTWES-SFTDATJTSA-N 1 0 472.682 3.741 20 0 JHADRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001308487275 1070381112 /nfs/dbraw/zinc/38/11/12/1070381112.db2.gz TXTIYAWTHXQFQS-LJQANCHMSA-N 1 0 454.493 3.676 20 0 JHADRO FC(F)(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC001308523420 1070385182 /nfs/dbraw/zinc/38/51/82/1070385182.db2.gz RZYFUXLCSXLIAK-DNQXCXABSA-N 1 0 463.544 3.550 20 0 JHADRO CCOCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314471799 1070382325 /nfs/dbraw/zinc/38/23/25/1070382325.db2.gz CJFVDZGWWDGGNR-XRXFAXGQSA-N 1 0 465.683 3.557 20 0 JHADRO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](C[NH2+]Cc1cnc3ccc(Br)cn13)O2 ZINC001308512536 1070383636 /nfs/dbraw/zinc/38/36/36/1070383636.db2.gz DHMYNLHBXMUZLZ-CXJKMVGQSA-N 1 0 450.377 3.856 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313453025 1070383948 /nfs/dbraw/zinc/38/39/48/1070383948.db2.gz NVRTVLDBZNXCRM-IRLDBZIGSA-N 1 0 482.673 3.731 20 0 JHADRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)CC1 ZINC001308523159 1070384653 /nfs/dbraw/zinc/38/46/53/1070384653.db2.gz JCVNGHUUKCZBDK-UHFFFAOYSA-N 1 0 459.015 3.765 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001313453206 1070384997 /nfs/dbraw/zinc/38/49/97/1070384997.db2.gz UFZYVWDEJKCDBU-PKTZIBPZSA-N 1 0 497.688 3.879 20 0 JHADRO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)ccc1OCc1ccc(C(=O)OC)o1 ZINC001308560567 1070389140 /nfs/dbraw/zinc/38/91/40/1070389140.db2.gz HOYOATPUNILEBL-UZLBHIALSA-N 1 0 457.445 3.932 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)cnn1C ZINC001308567244 1070391898 /nfs/dbraw/zinc/39/18/98/1070391898.db2.gz SADHOSUBVCRKCC-ISKFKSNPSA-N 1 0 455.647 3.618 20 0 JHADRO CCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001314481338 1070393791 /nfs/dbraw/zinc/39/37/91/1070393791.db2.gz SKDKPBJWYXICIB-UHFFFAOYSA-N 1 0 450.425 3.973 20 0 JHADRO CCCNC(=O)c1cccc(Cn2c(CC)nnc2N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC001313456173 1070394937 /nfs/dbraw/zinc/39/49/37/1070394937.db2.gz PODUQBGQCXNGFS-QHCPKHFHSA-N 1 0 466.674 3.977 20 0 JHADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2c(C(C)C)nc3sc(C)nn32)C(C)C)cc1 ZINC001308585869 1070395398 /nfs/dbraw/zinc/39/53/98/1070395398.db2.gz GFOINFZXHBIXLL-LJQANCHMSA-N 1 0 459.616 3.831 20 0 JHADRO CCCn1nc(-c2nnc(N3C[C@@H](C)O[C@H](CC)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313456439 1070396094 /nfs/dbraw/zinc/39/60/94/1070396094.db2.gz XHHVOLKWOLJGLM-NHCUHLMSSA-N 1 0 495.672 3.799 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001313457982 1070400823 /nfs/dbraw/zinc/40/08/23/1070400823.db2.gz QVWXWGWNRJFBKW-FPOVZHCZSA-N 1 0 458.626 3.760 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2CC2([NH+]3CCSCC3)CCCC2)C1 ZINC001313457807 1070399587 /nfs/dbraw/zinc/39/95/87/1070399587.db2.gz HEJAVIDCVVQIBI-LEWJYISDSA-N 1 0 476.735 3.896 20 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Cc1ccc(-n2c(Cl)c(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)nc2N(C)C)cc1 ZINC001308684342 1070417631 /nfs/dbraw/zinc/41/76/31/1070417631.db2.gz SJOLWVORGHKCTG-QFIPXVFZSA-N 1 0 454.018 3.757 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1CC ZINC001314496269 1070417135 /nfs/dbraw/zinc/41/71/35/1070417135.db2.gz PBGHLLQFQXUDRM-HSZRJFAPSA-N 1 0 496.700 3.839 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCSC2)C[C@@H]1CC ZINC001314496921 1070419612 /nfs/dbraw/zinc/41/96/12/1070419612.db2.gz NVZFGQSSRONVGD-FPOVZHCZSA-N 1 0 459.660 3.644 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC=C(C)C)C[C@H]1CC ZINC001314497041 1070419635 /nfs/dbraw/zinc/41/96/35/1070419635.db2.gz WNLWONURFFQHRJ-OAQYLSRUSA-N 1 0 455.603 3.967 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C)nc2)C[C@H]1CC ZINC001314497454 1070420483 /nfs/dbraw/zinc/42/04/83/1070420483.db2.gz YGYSWRVQXUVYNK-OAQYLSRUSA-N 1 0 452.578 3.773 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(O)c2)C[C@@H]1CC ZINC001314498825 1070425446 /nfs/dbraw/zinc/42/54/46/1070425446.db2.gz RSEFEZBVDXWDLO-NRFANRHFSA-N 1 0 455.628 3.621 20 0 JHADRO CC(=O)N(c1nc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)cs1)c1ccc(F)cc1F ZINC001308722800 1070426049 /nfs/dbraw/zinc/42/60/49/1070426049.db2.gz NEJFUBUNYFPWDO-OAHLLOKOSA-N 1 0 450.555 3.791 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2[C@@H]2C[C@H]2CF)C[C@H]1CC ZINC001314499456 1070427194 /nfs/dbraw/zinc/42/71/94/1070427194.db2.gz KQWWHMQJTZRVJG-CSODHUTKSA-N 1 0 451.537 3.615 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)C[C@H]1CC ZINC001314499655 1070428037 /nfs/dbraw/zinc/42/80/37/1070428037.db2.gz CVYLEBCTCYJMLA-HSZRJFAPSA-N 1 0 494.688 3.946 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2CCc2c(C)cccc2C)C[C@@H]1CC ZINC001314499960 1070428954 /nfs/dbraw/zinc/42/89/54/1070428954.db2.gz FLEORYFCFGORTR-GOTSBHOMSA-N 1 0 455.647 3.579 20 0 JHADRO COC(=O)CCC[NH+]1CCC(N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)CC1 ZINC001308740190 1070429310 /nfs/dbraw/zinc/42/93/10/1070429310.db2.gz VEZKMXXHOCJFNT-CQSZACIVSA-N 1 0 451.365 3.567 20 0 JHADRO CC(=O)N(c1nc(CN[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cs1)c1ccccc1 ZINC001308747032 1070430177 /nfs/dbraw/zinc/43/01/77/1070430177.db2.gz UMSGLBFSYVYQCJ-URXFXBBRSA-N 1 0 450.608 3.800 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2csc(C)c2)C[C@H]1CC ZINC001314500651 1070431469 /nfs/dbraw/zinc/43/14/69/1070431469.db2.gz WYOLFRUYEZPWSP-JOCHJYFZSA-N 1 0 454.644 3.619 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cscc2C(F)(F)F)C[C@H]1CC ZINC001314501055 1070432299 /nfs/dbraw/zinc/43/22/99/1070432299.db2.gz NFRBAWGLMVILBN-SJLPKXTDSA-N 1 0 487.592 3.848 20 0 JHADRO CCOCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001314500831 1070432372 /nfs/dbraw/zinc/43/23/72/1070432372.db2.gz LGGLMJLJCPEZLX-YPAWHYETSA-N 1 0 477.694 3.560 20 0 JHADRO CN(C(=O)c1ccc(NCc2nc3ccccn3c2Br)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001308761229 1070432595 /nfs/dbraw/zinc/43/25/95/1070432595.db2.gz RAUMVABWARGUMG-GOSISDBHSA-N 1 0 456.388 3.875 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)C1 ZINC001308762388 1070432817 /nfs/dbraw/zinc/43/28/17/1070432817.db2.gz OLNPOYUULXALSA-JWQCQUIFSA-N 1 0 456.587 3.648 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001313466195 1070437839 /nfs/dbraw/zinc/43/78/39/1070437839.db2.gz LBGLBXYSBCJXSA-PZJWPPBQSA-N 1 0 480.613 3.592 20 0 JHADRO C[C@H]1CC[C@@H]([NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CN1C(=O)OC(C)(C)C ZINC001308794705 1070438822 /nfs/dbraw/zinc/43/88/22/1070438822.db2.gz BSZIDOLKIXELCV-PKOBYXMFSA-N 1 0 456.587 3.933 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CC[N@H+](CCC)C2)C1 ZINC001313467401 1070443344 /nfs/dbraw/zinc/44/33/44/1070443344.db2.gz YOYGTDPGJCLJKS-UPVQGACJSA-N 1 0 466.674 3.652 20 0 JHADRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)c1 ZINC001308810020 1070441067 /nfs/dbraw/zinc/44/10/67/1070441067.db2.gz DJCDOCOFDMSIAB-UHFFFAOYSA-N 1 0 456.518 3.868 20 0 JHADRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001308811653 1070441957 /nfs/dbraw/zinc/44/19/57/1070441957.db2.gz NRUJBSDYMWQTIU-NJDAHSKKSA-N 1 0 451.633 3.643 20 0 JHADRO COC(=O)c1cc(Br)oc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001308812831 1070441980 /nfs/dbraw/zinc/44/19/80/1070441980.db2.gz ZRIZIQKKHVHXHI-HZSPNIEDSA-N 1 0 457.365 3.954 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001313467205 1070442003 /nfs/dbraw/zinc/44/20/03/1070442003.db2.gz ZRCLNHALOKXDRX-DNVJHFABSA-N 1 0 474.694 3.630 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001314504361 1070443878 /nfs/dbraw/zinc/44/38/78/1070443878.db2.gz FZBLKHROIWDJND-UHFFFAOYSA-N 1 0 463.648 3.515 20 0 JHADRO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001308830788 1070444142 /nfs/dbraw/zinc/44/41/42/1070444142.db2.gz UDLGAAKJWNUYPO-XZOQPEGZSA-N 1 0 450.587 3.715 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)cnn1C ZINC001308842178 1070446754 /nfs/dbraw/zinc/44/67/54/1070446754.db2.gz ANQGRHDJABZFEE-GJZUVCINSA-N 1 0 455.647 3.666 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC3CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001308851764 1070448192 /nfs/dbraw/zinc/44/81/92/1070448192.db2.gz MJRYHFNWGJXMSZ-XUVXKRRUSA-N 1 0 453.624 3.638 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC(C)C)[NH+](C)C)C12CCCC2 ZINC001314506138 1070450937 /nfs/dbraw/zinc/45/09/37/1070450937.db2.gz IKICFNBMTPKENU-BHIFYINESA-N 1 0 474.694 3.664 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001313469382 1070452198 /nfs/dbraw/zinc/45/21/98/1070452198.db2.gz WCHUTMTXVBAWGI-OAQYLSRUSA-N 1 0 466.674 3.982 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([NH+](C)C)CCCC2)C1 ZINC001314507731 1070455209 /nfs/dbraw/zinc/45/52/09/1070455209.db2.gz VZAHIQKJBRKZCI-BHDDXSALSA-N 1 0 477.694 3.703 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001313470400 1070457281 /nfs/dbraw/zinc/45/72/81/1070457281.db2.gz SCVRKNNZQROTGC-VWLOTQADSA-N 1 0 491.684 3.892 20 0 JHADRO COc1ccc(C2=NO[C@H](C[NH2+]CC3CCN(C(=O)OCc4ccccc4)CC3)C2)cc1F ZINC001308922222 1070459671 /nfs/dbraw/zinc/45/96/71/1070459671.db2.gz DEBPLEJHCZABEC-NRFANRHFSA-N 1 0 455.530 3.966 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001313472080 1070465017 /nfs/dbraw/zinc/46/50/17/1070465017.db2.gz UDLLMYAKIKUCQC-IBGZPJMESA-N 1 0 456.610 3.559 20 0 JHADRO COC(=O)c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(Br)c3cccnc13)C(=O)N2 ZINC001308955362 1070465379 /nfs/dbraw/zinc/46/53/79/1070465379.db2.gz QMOVGLHELUSVHB-LJQANCHMSA-N 1 0 454.324 3.827 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001314510319 1070465771 /nfs/dbraw/zinc/46/57/71/1070465771.db2.gz UMYXLXMNCGSFCJ-PMACEKPBSA-N 1 0 467.724 3.638 20 0 JHADRO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001308934054 1070461447 /nfs/dbraw/zinc/46/14/47/1070461447.db2.gz ATSZHMMENCHTNY-UHFFFAOYSA-N 1 0 458.603 3.732 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC001308936494 1070462077 /nfs/dbraw/zinc/46/20/77/1070462077.db2.gz ODFSSMUMNDVCTL-LNRXMEIDSA-N 1 0 452.636 3.747 20 0 JHADRO C[C@H](C[NH+]1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001308936414 1070462285 /nfs/dbraw/zinc/46/22/85/1070462285.db2.gz WGBKHNXAZJSWHM-MRXNPFEDSA-N 1 0 458.559 3.732 20 0 JHADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC001308938205 1070463101 /nfs/dbraw/zinc/46/31/01/1070463101.db2.gz IVXJGVFBIZSNKM-QZTJIDSGSA-N 1 0 455.411 3.635 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001313472791 1070468466 /nfs/dbraw/zinc/46/84/66/1070468466.db2.gz RWOCVANBFAEONH-UHFFFAOYSA-N 1 0 458.695 3.875 20 0 JHADRO C[C@H]([NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001308970220 1070468681 /nfs/dbraw/zinc/46/86/81/1070468681.db2.gz FKFAZPZGCJXRNB-HDDMWFRZSA-N 1 0 458.521 3.626 20 0 JHADRO CCCNC(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001313473161 1070469268 /nfs/dbraw/zinc/46/92/68/1070469268.db2.gz APQMPSCNBXRCBC-SJBKTWHCSA-N 1 0 470.662 3.870 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001313474699 1070473402 /nfs/dbraw/zinc/47/34/02/1070473402.db2.gz LBFFMWGFGMWIDJ-RUZDIDTESA-N 1 0 489.668 3.618 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001313475011 1070473933 /nfs/dbraw/zinc/47/39/33/1070473933.db2.gz RJIMZGIRMRWGRL-HXUWFJFHSA-N 1 0 487.092 3.997 20 0 JHADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC001308998244 1070476236 /nfs/dbraw/zinc/47/62/36/1070476236.db2.gz HTMRWFWTEDKLEK-LJQANCHMSA-N 1 0 452.418 3.631 20 0 JHADRO CC[C@@H](CNS(=O)(=O)c1ccc(NC(C)=O)c2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC001309049690 1070507496 /nfs/dbraw/zinc/50/74/96/1070507496.db2.gz AIOLIGKRMVYVQK-NRFANRHFSA-N 1 0 451.592 3.913 20 0 JHADRO CCCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001313489858 1070509586 /nfs/dbraw/zinc/50/95/86/1070509586.db2.gz ZWQZJKPXXBIFES-ZWKOTPCHSA-N 1 0 481.670 3.822 20 0 JHADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccnn1CCc1ccccc1 ZINC001309057096 1070512744 /nfs/dbraw/zinc/51/27/44/1070512744.db2.gz WXIDGKVMDUBPPX-NRFANRHFSA-N 1 0 452.624 3.979 20 0 JHADRO CCOC(=O)c1oc2ccc(S(=O)(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2c1C ZINC001309055165 1070511404 /nfs/dbraw/zinc/51/14/04/1070511404.db2.gz MRIZGTRHWIRDIK-UHFFFAOYSA-N 1 0 456.564 3.645 20 0 JHADRO CC(C)Oc1ccc(F)cc1S(=O)(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001309055626 1070511504 /nfs/dbraw/zinc/51/15/04/1070511504.db2.gz QBECISYVMAOHKI-QZTJIDSGSA-N 1 0 450.576 3.701 20 0 JHADRO CCOc1ccc([C@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)c2ccccc2)cc1 ZINC001309056668 1070512154 /nfs/dbraw/zinc/51/21/54/1070512154.db2.gz PLKSQNXTBWJMQQ-HSZRJFAPSA-N 1 0 456.612 3.528 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@H]2CC[N@H+](CC)C2)cc1OC ZINC001313501971 1070526463 /nfs/dbraw/zinc/52/64/63/1070526463.db2.gz HQFNHAKWTZVCFY-UFYCRDLUSA-N 1 0 457.619 3.698 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001313502071 1070527489 /nfs/dbraw/zinc/52/74/89/1070527489.db2.gz JACRUJDNNNESGI-AFMDSPMNSA-N 1 0 471.646 3.682 20 0 JHADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)C1 ZINC001309088490 1070532495 /nfs/dbraw/zinc/53/24/95/1070532495.db2.gz ZRYNBEMRHIDUAB-VEEZHQPXSA-N 1 0 477.671 3.749 20 0 JHADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001309100876 1070540529 /nfs/dbraw/zinc/54/05/29/1070540529.db2.gz QWADYUXKBYOSEL-BETUJISGSA-N 1 0 451.402 3.632 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CCC)cc1OC ZINC001313506216 1070547056 /nfs/dbraw/zinc/54/70/56/1070547056.db2.gz VRORQZSKOXBDQO-IBGZPJMESA-N 1 0 457.619 3.842 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001313506946 1070550474 /nfs/dbraw/zinc/55/04/74/1070550474.db2.gz UXWDXAXOUMGEBG-UNMCSNQZSA-N 1 0 498.672 3.565 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC001313506601 1070548830 /nfs/dbraw/zinc/54/88/30/1070548830.db2.gz XRKLELJRNBAUIL-FQEVSTJZSA-N 1 0 457.619 3.842 20 0 JHADRO CCCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)cn1 ZINC001313512726 1070564801 /nfs/dbraw/zinc/56/48/01/1070564801.db2.gz RPNJBEGXGUCPAC-ZWKOTPCHSA-N 1 0 469.659 3.785 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1OC ZINC001313513057 1070566144 /nfs/dbraw/zinc/56/61/44/1070566144.db2.gz CWHMMTRTHBJDSJ-HHJKRLRDSA-N 1 0 489.686 3.793 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCOC[C@H]3C)n2C[C@@H]2CC[N@H+](CCC)C2)cc1OC ZINC001313513722 1070569486 /nfs/dbraw/zinc/56/94/86/1070569486.db2.gz OBCHXILEIBHAAM-WOJBJXKFSA-N 1 0 457.619 3.700 20 0 JHADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cnc1C(F)F ZINC001309155682 1070573647 /nfs/dbraw/zinc/57/36/47/1070573647.db2.gz DBCFMCSGDLSAHU-INIZCTEOSA-N 1 0 459.559 3.519 20 0 JHADRO COC(=O)c1cc(C)ccc1S(=O)(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001309157029 1070574769 /nfs/dbraw/zinc/57/47/69/1070574769.db2.gz NBYIDQRCJICGBT-UHFFFAOYSA-N 1 0 458.624 3.795 20 0 JHADRO CCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001313515824 1070574767 /nfs/dbraw/zinc/57/47/67/1070574767.db2.gz MYTYTTDZHLNLAD-QFIPXVFZSA-N 1 0 497.688 3.597 20 0 JHADRO CC[S@@](=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001314570385 1070575971 /nfs/dbraw/zinc/57/59/71/1070575971.db2.gz DEUIYRXTPMTPQH-WJOKGBTCSA-N 1 0 468.042 3.961 20 0 JHADRO CCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001313516697 1070577373 /nfs/dbraw/zinc/57/73/73/1070577373.db2.gz VSCMHGXFROTCPE-UHFFFAOYSA-N 1 0 497.688 3.741 20 0 JHADRO CC[S@@](=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001314577237 1070586155 /nfs/dbraw/zinc/58/61/55/1070586155.db2.gz KNCZAYWAJYBZJQ-GMWXTNTRSA-N 1 0 487.714 3.594 20 0 JHADRO CC[S@@](=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001314577262 1070586722 /nfs/dbraw/zinc/58/67/22/1070586722.db2.gz HGLJDQWTUJYNBU-WUMSWZENSA-N 1 0 479.735 3.666 20 0 JHADRO CCCOc1ncccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313521480 1070588516 /nfs/dbraw/zinc/58/85/16/1070588516.db2.gz MWYDNURSFXTEOC-UHFFFAOYSA-N 1 0 469.659 3.786 20 0 JHADRO CC[S@](=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001314578860 1070589291 /nfs/dbraw/zinc/58/92/91/1070589291.db2.gz MZAFDNKBGBQHST-CVCYQNGTSA-N 1 0 480.078 3.590 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001313525113 1070597754 /nfs/dbraw/zinc/59/77/54/1070597754.db2.gz ZYAWOUYUHMYREZ-FGZHOGPDSA-N 1 0 452.603 3.945 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[NH+](C)C)n1 ZINC001314585670 1070606137 /nfs/dbraw/zinc/60/61/37/1070606137.db2.gz ZTTPUAFNAXEKPY-SFNKJDCFSA-N 1 0 479.695 3.980 20 0 JHADRO O=S(=O)(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001309214092 1070612991 /nfs/dbraw/zinc/61/29/91/1070612991.db2.gz PBRAQCQRFYQNGJ-VXKWHMMOSA-N 1 0 452.979 3.798 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3noc4c3COCC4)n2CCC[N@H+](C)C(C)C)CC1 ZINC001313531103 1070613314 /nfs/dbraw/zinc/61/33/14/1070613314.db2.gz WPJWCCODJKBTDK-IBGZPJMESA-N 1 0 460.623 3.522 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001314592615 1070626082 /nfs/dbraw/zinc/62/60/82/1070626082.db2.gz RKJBHOROGKFAAO-VQTJNVASSA-N 1 0 464.724 3.630 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001314593765 1070629510 /nfs/dbraw/zinc/62/95/10/1070629510.db2.gz ZOZRLZBULLUXIN-RTBURBONSA-N 1 0 457.648 3.522 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C)n3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001314594997 1070634309 /nfs/dbraw/zinc/63/43/09/1070634309.db2.gz HPRHAXINQGNFKG-HLAWJBBLSA-N 1 0 458.676 3.727 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(-c3cccn3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314597776 1070641974 /nfs/dbraw/zinc/64/19/74/1070641974.db2.gz WKKHGVVTMKYBCJ-LEWJYISDSA-N 1 0 460.692 3.752 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001313545465 1070650903 /nfs/dbraw/zinc/65/09/03/1070650903.db2.gz KJQLTURWEVWUOH-NJYVYQBISA-N 1 0 490.693 3.738 20 0 JHADRO COc1ccc(Br)c(S(=O)(=O)NCC2CC[NH+](CCC(C)C)CC2)c1F ZINC001309262683 1070653938 /nfs/dbraw/zinc/65/39/38/1070653938.db2.gz VPRNKTXNJDEUCP-UHFFFAOYSA-N 1 0 451.402 3.633 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001313552780 1070670390 /nfs/dbraw/zinc/67/03/90/1070670390.db2.gz IGYVRNMHAVCLME-PMACEKPBSA-N 1 0 456.610 3.653 20 0 JHADRO CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1cc(Br)cs1 ZINC001313564730 1070680611 /nfs/dbraw/zinc/68/06/11/1070680611.db2.gz GWILDORNDOMWMI-UHFFFAOYSA-N 1 0 489.487 3.971 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC001313574107 1070689044 /nfs/dbraw/zinc/68/90/44/1070689044.db2.gz KDRXRLZKAKGZNZ-ISJBWFOZSA-N 1 0 455.647 3.749 20 0 JHADRO CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001313569494 1070683303 /nfs/dbraw/zinc/68/33/03/1070683303.db2.gz OXXAZLIYOUOUGD-LEWJYISDSA-N 1 0 472.634 3.654 20 0 JHADRO CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001313570176 1070683675 /nfs/dbraw/zinc/68/36/75/1070683675.db2.gz YQJIWYKXKQQHMB-QHCPKHFHSA-N 1 0 498.672 3.811 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)[C@H]2CCOC2)c1 ZINC001313575852 1070691794 /nfs/dbraw/zinc/69/17/94/1070691794.db2.gz UECLDBAZKFMEFP-ZRBLBEILSA-N 1 0 498.672 3.774 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](NC(C)=O)C2)c1 ZINC001313575862 1070691919 /nfs/dbraw/zinc/69/19/19/1070691919.db2.gz UUHQEINKFOEFFZ-HSZRJFAPSA-N 1 0 466.655 3.535 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@](C)(C(=O)NC)C2)c1 ZINC001313576221 1070692648 /nfs/dbraw/zinc/69/26/48/1070692648.db2.gz WRSLGTWEGYXTDV-MVOZIGHISA-N 1 0 496.700 3.659 20 0 JHADRO COC(=O)c1ccc(S(=O)(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001309323752 1070699216 /nfs/dbraw/zinc/69/92/16/1070699216.db2.gz WHZAWZUSBTZLKU-WMZOPIPTSA-N 1 0 450.988 3.706 20 0 JHADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CC1 ZINC001309326570 1070701395 /nfs/dbraw/zinc/70/13/95/1070701395.db2.gz QADWNBCKXQAUIB-UHFFFAOYSA-N 1 0 453.958 3.538 20 0 JHADRO CCN(c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](CC(C)C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313582640 1070703946 /nfs/dbraw/zinc/70/39/46/1070703946.db2.gz ORMKJRWAVLWQEC-RTWAWAEBSA-N 1 0 498.697 3.791 20 0 JHADRO CN(C(=O)[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001314621604 1070701354 /nfs/dbraw/zinc/70/13/54/1070701354.db2.gz RZUUBVJWJMFILR-NRFANRHFSA-N 1 0 452.647 3.842 20 0 JHADRO CCN(c1nnc(-c2ccccc2)n1CCCCC[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313590459 1070718430 /nfs/dbraw/zinc/71/84/30/1070718430.db2.gz QOZRGQTVNOZVFW-JOCHJYFZSA-N 1 0 459.660 3.615 20 0 JHADRO CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H](CC(C)C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313592297 1070719354 /nfs/dbraw/zinc/71/93/54/1070719354.db2.gz PYVGJOZWMYHBJI-QZTJIDSGSA-N 1 0 468.067 3.588 20 0 JHADRO C[C@H]1C[N@H+](CCOc2ccc(CCNS(=O)(=O)CC3Cc4ccccc4C3)cc2)C[C@H]1C ZINC001309358257 1070720734 /nfs/dbraw/zinc/72/07/34/1070720734.db2.gz WUMWLEOKOZKUMZ-OYRHEFFESA-N 1 0 456.652 3.530 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2cccn2C)nnc1N(C)CCc1ccc(Cl)cc1 ZINC001314627880 1070722055 /nfs/dbraw/zinc/72/20/55/1070722055.db2.gz DFGJFKCUOMUZFZ-HSZRJFAPSA-N 1 0 498.075 3.559 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N2CC[C@H](COCc3ccccc3)C2)nnc1C(C)(C)C ZINC001314628189 1070723562 /nfs/dbraw/zinc/72/35/62/1070723562.db2.gz GVJRJNNAZHBWKB-BJKOFHAPSA-N 1 0 496.700 3.561 20 0 JHADRO CCN(c1nnc(C2CCCC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001313599525 1070724161 /nfs/dbraw/zinc/72/41/61/1070724161.db2.gz LTKRMYJWFRIVFB-OFNKIYASSA-N 1 0 473.687 3.860 20 0 JHADRO CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H](C)[NH+](C)C)[C@@H](C)C1CCC1 ZINC001313599676 1070724281 /nfs/dbraw/zinc/72/42/81/1070724281.db2.gz WWDUBQPQHRCBCC-MSOLQXFVSA-N 1 0 451.619 3.640 20 0 JHADRO CCN(CC(C)(C)O)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309364501 1070725835 /nfs/dbraw/zinc/72/58/35/1070725835.db2.gz GOXHBVUWAYDJMM-FCHUYYIVSA-N 1 0 451.032 3.731 20 0 JHADRO CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC001313603798 1070726903 /nfs/dbraw/zinc/72/69/03/1070726903.db2.gz HBNIFJDPIGRZFE-JOCHJYFZSA-N 1 0 490.693 3.738 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(Cc2ccsc2)nnc1N(C)C1CCCCC1 ZINC001314629643 1070728360 /nfs/dbraw/zinc/72/83/60/1070728360.db2.gz QTYOSQLXBWNASU-OAQYLSRUSA-N 1 0 458.676 3.642 20 0 JHADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(Br)c(C(F)(F)F)c3)C2)CC1 ZINC001309375010 1070732019 /nfs/dbraw/zinc/73/20/19/1070732019.db2.gz BEQOICALNOKNFJ-ZDUSSCGKSA-N 1 0 455.340 3.820 20 0 JHADRO CCN(c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)CC)C1CCCCC1 ZINC001313616393 1070740149 /nfs/dbraw/zinc/74/01/49/1070740149.db2.gz WYUVIDJAYSIRBP-MHZLTWQESA-N 1 0 468.690 3.963 20 0 JHADRO CN(C)C(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001314637910 1070742380 /nfs/dbraw/zinc/74/23/80/1070742380.db2.gz XZRAABRFNSHBRQ-LJQANCHMSA-N 1 0 474.053 3.564 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001314646363 1070747026 /nfs/dbraw/zinc/74/70/26/1070747026.db2.gz BAWPVLHKSOBDMH-IDISGSTGSA-N 1 0 491.640 3.870 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(F)(F)F)CC1)C1CC1 ZINC001314647701 1070750822 /nfs/dbraw/zinc/75/08/22/1070750822.db2.gz CKJFTCRAWBZPLP-SFHVURJKSA-N 1 0 456.944 3.623 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)C1)C1CCCCC1 ZINC001314648764 1070753161 /nfs/dbraw/zinc/75/31/61/1070753161.db2.gz PAXBULCOHIGMRG-IBGZPJMESA-N 1 0 465.429 3.699 20 0 JHADRO CCN(CC(C)C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001313624881 1070754468 /nfs/dbraw/zinc/75/44/68/1070754468.db2.gz YISQDQPVGUSMSE-QFIPXVFZSA-N 1 0 490.656 3.618 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001313625701 1070754536 /nfs/dbraw/zinc/75/45/36/1070754536.db2.gz CRSNFHCTGQGJHP-RUZDIDTESA-N 1 0 453.587 3.666 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314649319 1070755509 /nfs/dbraw/zinc/75/55/09/1070755509.db2.gz URAGADCQVKUXNP-JTHBVZDNSA-N 1 0 495.647 3.857 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(N)=O)CC1)C1CCCCC1 ZINC001314649891 1070757371 /nfs/dbraw/zinc/75/73/71/1070757371.db2.gz XXLRXYWXZUJWHD-OAQYLSRUSA-N 1 0 459.038 3.811 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001314652885 1070764219 /nfs/dbraw/zinc/76/42/19/1070764219.db2.gz JIOIWMQCFOSJRY-CEXWTWQISA-N 1 0 490.674 3.940 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCCC1 ZINC001314653916 1070767098 /nfs/dbraw/zinc/76/70/98/1070767098.db2.gz RIHJAVUBTOSMMD-UHFFFAOYSA-N 1 0 482.673 3.588 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1([NH+](C)C)CCCC1 ZINC001313634237 1070766145 /nfs/dbraw/zinc/76/61/45/1070766145.db2.gz HOLAYVUESCXVAB-DEOSSOPVSA-N 1 0 479.673 3.882 20 0 JHADRO C[NH+](C)[C@H](Cn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1C(C)(C)C)c1ccsc1 ZINC001314653839 1070767198 /nfs/dbraw/zinc/76/71/98/1070767198.db2.gz HPNLPEMLJRNUQE-OAQYLSRUSA-N 1 0 480.682 3.964 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001313634723 1070767587 /nfs/dbraw/zinc/76/75/87/1070767587.db2.gz ASIGWYTXPFFHFO-UPVQGACJSA-N 1 0 482.673 3.504 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cccnc3)nnc2N(CCO)Cc2ccc(Br)s2)CCC1 ZINC001314656689 1070775826 /nfs/dbraw/zinc/77/58/26/1070775826.db2.gz NHJNAPBTPMEBMC-UHFFFAOYSA-N 1 0 491.459 3.647 20 0 JHADRO C[NH+](C)[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCOCC1)c1ccsc1 ZINC001314655238 1070771936 /nfs/dbraw/zinc/77/19/36/1070771936.db2.gz NQNCNJGBTMZLMB-LJQANCHMSA-N 1 0 492.443 3.821 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CO)CC1)C1CC1 ZINC001314655692 1070773408 /nfs/dbraw/zinc/77/34/08/1070773408.db2.gz SJEUKKVVDQNFIZ-HXUWFJFHSA-N 1 0 450.052 3.773 20 0 JHADRO C[NH+](C)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)CC1)C1CC1 ZINC001314656219 1070774372 /nfs/dbraw/zinc/77/43/72/1070774372.db2.gz WLZHDRLWSBHYDO-LJQANCHMSA-N 1 0 486.970 3.535 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 ZINC001314656130 1070774527 /nfs/dbraw/zinc/77/45/27/1070774527.db2.gz PQHKEEXODFWUHH-OAQYLSRUSA-N 1 0 484.599 3.564 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)C1CC1 ZINC001314656512 1070775056 /nfs/dbraw/zinc/77/50/56/1070775056.db2.gz ZFYGLAADGCWXLI-UZLBHIALSA-N 1 0 477.078 3.656 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001313637877 1070777013 /nfs/dbraw/zinc/77/70/13/1070777013.db2.gz RXOLQKNSIFDQOI-UHFFFAOYSA-N 1 0 474.053 3.707 20 0 JHADRO C[NH+](C)C1(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(CC(F)F)CC2)CCCC1 ZINC001314657809 1070777419 /nfs/dbraw/zinc/77/74/19/1070777419.db2.gz GTDLNZCORUOBJA-UHFFFAOYSA-N 1 0 483.007 3.772 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccsc3)nnc2N2CCC(CCC(N)=O)CC2)CCCCC1 ZINC001314658051 1070778270 /nfs/dbraw/zinc/77/82/70/1070778270.db2.gz PDHYUPPOCHDXMU-UHFFFAOYSA-N 1 0 458.676 3.677 20 0 JHADRO C[NH+](C)C1(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@](C)(c3ccccc3)C2)CCOCC1 ZINC001314660185 1070783855 /nfs/dbraw/zinc/78/38/55/1070783855.db2.gz SPYKSVKZYIJWPH-RUZDIDTESA-N 1 0 455.647 3.730 20 0 JHADRO C[NH+](C)C1(Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CCC1 ZINC001314658340 1070778793 /nfs/dbraw/zinc/77/87/93/1070778793.db2.gz YVIPYTSSYZBHHS-NRFANRHFSA-N 1 0 458.695 3.874 20 0 JHADRO C[NH+](C)C1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCCC1 ZINC001314658295 1070778807 /nfs/dbraw/zinc/77/88/07/1070778807.db2.gz XGJRROOJVCWRFE-IBGZPJMESA-N 1 0 498.118 3.722 20 0 JHADRO Cn1cc(Nc2nnc(-c3ccccc3Br)n2C[C@]2([NH+](C)C)CCSC2)cn1 ZINC001314659226 1070781200 /nfs/dbraw/zinc/78/12/00/1070781200.db2.gz BIDIWYZMYUPYEB-LJQANCHMSA-N 1 0 462.421 3.622 20 0 JHADRO C[NH+](C)C1(Cn2c(CC(C)(C)C)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)CCCC1 ZINC001314659392 1070781608 /nfs/dbraw/zinc/78/16/08/1070781608.db2.gz NNXSQCHMDYHNHQ-UHFFFAOYSA-N 1 0 472.600 3.636 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccccn3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)CCC1 ZINC001314660651 1070784572 /nfs/dbraw/zinc/78/45/72/1070784572.db2.gz XJEDRKPUADNSIY-UHFFFAOYSA-N 1 0 483.661 3.632 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001313640162 1070784446 /nfs/dbraw/zinc/78/44/46/1070784446.db2.gz LXCZGMZXVHEYGW-LSQMVHIFSA-N 1 0 496.700 3.750 20 0 JHADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001309467714 1070788359 /nfs/dbraw/zinc/78/83/59/1070788359.db2.gz KZKMCSHGJOZYHO-NVXWUHKLSA-N 1 0 456.486 3.899 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001314663589 1070792521 /nfs/dbraw/zinc/79/25/21/1070792521.db2.gz WRJVNZQJLNSHLM-QAPCUYQASA-N 1 0 465.440 3.629 20 0 JHADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCCCCCC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001314662924 1070790424 /nfs/dbraw/zinc/79/04/24/1070790424.db2.gz NABZEHWFUCTMNN-UHFFFAOYSA-N 1 0 476.691 3.554 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CC(N)=O)CC1 ZINC001314662840 1070790558 /nfs/dbraw/zinc/79/05/58/1070790558.db2.gz JVKAUCHMXFKMAG-UHFFFAOYSA-N 1 0 495.441 3.526 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001314663244 1070791195 /nfs/dbraw/zinc/79/11/95/1070791195.db2.gz QECVKJATEQPTHD-SFHVURJKSA-N 1 0 495.499 3.998 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(N3CCN(Cc4cccc(Cl)c4)CC3)nnc2C(C)(C)C)CCSC1 ZINC001314661626 1070786552 /nfs/dbraw/zinc/78/65/52/1070786552.db2.gz ZBDCCDGCIMIOEU-DEOSSOPVSA-N 1 0 477.122 3.989 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001313641072 1070786629 /nfs/dbraw/zinc/78/66/29/1070786629.db2.gz RBSRNCAWFKMRAC-QPPBQGQZSA-N 1 0 465.646 3.669 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001314665463 1070797331 /nfs/dbraw/zinc/79/73/31/1070797331.db2.gz HGDQVBFKMTXFOL-IBGZPJMESA-N 1 0 490.578 3.909 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001314665733 1070797644 /nfs/dbraw/zinc/79/76/44/1070797644.db2.gz LQVLAYLPCJJKDV-UHFFFAOYSA-N 1 0 472.653 3.992 20 0 JHADRO CN(CC1CN(C(=O)OCc2ccccc2)C1)c1nnc(C(C)(C)C)n1CC(C)(C)C[NH+](C)C ZINC001314665940 1070798326 /nfs/dbraw/zinc/79/83/26/1070798326.db2.gz KPYDXGBUSFYBMQ-UHFFFAOYSA-N 1 0 470.662 3.868 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001314666032 1070798397 /nfs/dbraw/zinc/79/83/97/1070798397.db2.gz PKVOICNCYGEUIS-VWLOTQADSA-N 1 0 477.600 3.509 20 0 JHADRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1)c1ccco1 ZINC001309483508 1070799300 /nfs/dbraw/zinc/79/93/00/1070799300.db2.gz HGZDQAPXBRRYFS-GUYCJALGSA-N 1 0 454.390 3.942 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001314666903 1070800321 /nfs/dbraw/zinc/80/03/21/1070800321.db2.gz AWLBOSAPOVJUQG-OAQYLSRUSA-N 1 0 479.629 3.734 20 0 JHADRO CN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)C[NH+](C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001314667666 1070802306 /nfs/dbraw/zinc/80/23/06/1070802306.db2.gz KKXGLAXHZFSLFE-HSZRJFAPSA-N 1 0 482.673 3.849 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1 ZINC001314667869 1070803265 /nfs/dbraw/zinc/80/32/65/1070803265.db2.gz WWHMCBZQRMMACS-HSZRJFAPSA-N 1 0 475.641 3.581 20 0 JHADRO Cn1ccc(Nc2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cccc(C[NH+](C)C)c2)n1 ZINC001314667874 1070803392 /nfs/dbraw/zinc/80/33/92/1070803392.db2.gz XFHKEYVIAIVUOF-UHFFFAOYSA-N 1 0 494.644 3.980 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC=C(Br)C2)c1 ZINC001314668719 1070805366 /nfs/dbraw/zinc/80/53/66/1070805366.db2.gz MKNMMYGBWVISFC-OAQYLSRUSA-N 1 0 490.446 3.997 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1Cc1ccccc1OCC[NH+](C)C)C1CCC2(CC1)OCCO2 ZINC001314668748 1070806181 /nfs/dbraw/zinc/80/61/81/1070806181.db2.gz NDOTZIHHARJOHH-UHFFFAOYSA-N 1 0 471.646 3.686 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001314669508 1070808065 /nfs/dbraw/zinc/80/80/65/1070808065.db2.gz ANLLGOPNSQHZNX-HNAYVOBHSA-N 1 0 466.399 3.804 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001314669509 1070808151 /nfs/dbraw/zinc/80/81/51/1070808151.db2.gz ANLLGOPNSQHZNX-KXBFYZLASA-N 1 0 466.399 3.804 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccccc3Cl)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001314669469 1070808230 /nfs/dbraw/zinc/80/82/30/1070808230.db2.gz HCRQHKHLFGXNHN-IBGZPJMESA-N 1 0 463.095 3.814 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001314670317 1070811307 /nfs/dbraw/zinc/81/13/07/1070811307.db2.gz JSLFBRPKGMLDRX-FQEVSTJZSA-N 1 0 492.462 3.539 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC001314672024 1070816582 /nfs/dbraw/zinc/81/65/82/1070816582.db2.gz OVAYUOYCUHTZSU-GOTSBHOMSA-N 1 0 469.674 3.913 20 0 JHADRO C[NH+](C)CCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001314672932 1070818486 /nfs/dbraw/zinc/81/84/86/1070818486.db2.gz HAEXJSXRWFMJBX-HNNXBMFYSA-N 1 0 461.479 3.504 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001313651850 1070828066 /nfs/dbraw/zinc/82/80/66/1070828066.db2.gz BLOLZBVMQUSLEZ-OAQYLSRUSA-N 1 0 496.685 3.597 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(C1)CCOCC2 ZINC001313651120 1070825591 /nfs/dbraw/zinc/82/55/91/1070825591.db2.gz CGCXXJCKEMUDGH-NRFANRHFSA-N 1 0 468.646 3.884 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001313652453 1070829578 /nfs/dbraw/zinc/82/95/78/1070829578.db2.gz TVOUIGQDSXEMFN-PZJWPPBQSA-N 1 0 479.604 3.864 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001313652585 1070830340 /nfs/dbraw/zinc/83/03/40/1070830340.db2.gz VYPCPUFHANRFGG-OFNKIYASSA-N 1 0 478.645 3.953 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC001313652613 1070831552 /nfs/dbraw/zinc/83/15/52/1070831552.db2.gz WCXWWSFSKSQSHO-UYAOXDASSA-N 1 0 465.577 3.789 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CC3CCCC3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313655431 1070844360 /nfs/dbraw/zinc/84/43/60/1070844360.db2.gz NANPHRCSPHMPGL-JOCHJYFZSA-N 1 0 473.710 3.859 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cnccn2)CC1 ZINC001313655922 1070847206 /nfs/dbraw/zinc/84/72/06/1070847206.db2.gz AXVXNVXSOOLXKC-FYYLOGMGSA-N 1 0 492.672 3.882 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001313655847 1070847587 /nfs/dbraw/zinc/84/75/87/1070847587.db2.gz ADTSMCDVHJBQAL-RBUKOAKNSA-N 1 0 474.625 3.735 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001313656300 1070849213 /nfs/dbraw/zinc/84/92/13/1070849213.db2.gz AUFRNTWJPVMUDE-SQNIBIBYSA-N 1 0 461.632 3.679 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001313656422 1070850163 /nfs/dbraw/zinc/85/01/63/1070850163.db2.gz IXPDVBVHYVCUAL-PMACEKPBSA-N 1 0 481.645 3.810 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](COC)C1 ZINC001313656439 1070850228 /nfs/dbraw/zinc/85/02/28/1070850228.db2.gz BSDBSRCAXRTFOM-PKOBYXMFSA-N 1 0 480.451 3.598 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001313656658 1070850841 /nfs/dbraw/zinc/85/08/41/1070850841.db2.gz DXVUISKLIDVKRA-NQIIRXRSSA-N 1 0 459.038 3.920 20 0 JHADRO CN(c1nnc(Cc2ccncc2)n1CCC[NH+]1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314699044 1070863636 /nfs/dbraw/zinc/86/36/36/1070863636.db2.gz RHDNMSHRTYWAJF-UHFFFAOYSA-N 1 0 483.661 3.586 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001313657807 1070857519 /nfs/dbraw/zinc/85/75/19/1070857519.db2.gz VEVHAYNBYVXXJO-KYTVRQNUSA-N 1 0 499.635 3.773 20 0 JHADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001309562411 1070858564 /nfs/dbraw/zinc/85/85/64/1070858564.db2.gz YVPGOYVTAUXTSY-GOSISDBHSA-N 1 0 450.988 3.707 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001313658499 1070859459 /nfs/dbraw/zinc/85/94/59/1070859459.db2.gz ASNWYKYMWODVDU-DENIHFKCSA-N 1 0 450.635 3.800 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001313659013 1070860577 /nfs/dbraw/zinc/86/05/77/1070860577.db2.gz GUVZEKAQXUTHTR-IIBYNOLFSA-N 1 0 454.541 3.600 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001313658852 1070860952 /nfs/dbraw/zinc/86/09/52/1070860952.db2.gz CVMAVUQGPMNYPF-PKOBYXMFSA-N 1 0 497.562 3.994 20 0 JHADRO Cc1oc(C(N)=O)cc1S(=O)(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001309565843 1070861246 /nfs/dbraw/zinc/86/12/46/1070861246.db2.gz QUMDUZJNKOZJKT-OAQYLSRUSA-N 1 0 459.612 3.532 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001313660235 1070864868 /nfs/dbraw/zinc/86/48/68/1070864868.db2.gz OYOOKZXHJHDWOH-YLJYHZDGSA-N 1 0 456.616 3.718 20 0 JHADRO CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC001314700201 1070865150 /nfs/dbraw/zinc/86/51/50/1070865150.db2.gz KEQHQWZUHGYXLQ-HSALFYBXSA-N 1 0 476.666 3.538 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001313660515 1070865906 /nfs/dbraw/zinc/86/59/06/1070865906.db2.gz RWKCHGIKXAQAQI-NRFANRHFSA-N 1 0 463.630 3.664 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001313660662 1070866506 /nfs/dbraw/zinc/86/65/06/1070866506.db2.gz SEQMCNCMSKTJLG-ROUUACIJSA-N 1 0 498.594 3.765 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001313660846 1070866724 /nfs/dbraw/zinc/86/67/24/1070866724.db2.gz TYQAXJSGRIIRIW-LJQANCHMSA-N 1 0 479.629 3.679 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001313661615 1070868026 /nfs/dbraw/zinc/86/80/26/1070868026.db2.gz ZUSWIVWJUIVNNE-GOSISDBHSA-N 1 0 455.557 3.675 20 0 JHADRO CN(c1nnc(COc2ccc(Br)cc2)n1C[C@]1([NH+](C)C)CCSC1)C1CC1 ZINC001314701822 1070868700 /nfs/dbraw/zinc/86/87/00/1070868700.db2.gz RJXLJEVIDXBYLY-HXUWFJFHSA-N 1 0 466.449 3.656 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001313661755 1070868695 /nfs/dbraw/zinc/86/86/95/1070868695.db2.gz ZBGLUZJBLGFMJO-HXUWFJFHSA-N 1 0 451.594 3.845 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1Cc2ccc(Br)cc2C1 ZINC001313661704 1070868995 /nfs/dbraw/zinc/86/89/95/1070868995.db2.gz HXJLZMATCFEXQX-OAHLLOKOSA-N 1 0 456.392 3.748 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001313662153 1070869964 /nfs/dbraw/zinc/86/99/64/1070869964.db2.gz OTUAXCPAEKTZDK-VQTJNVASSA-N 1 0 475.707 3.841 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001313662152 1070870104 /nfs/dbraw/zinc/87/01/04/1070870104.db2.gz OTUAXCPAEKTZDK-UXHICEINSA-N 1 0 475.707 3.841 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCSC1)c1ccccc1 ZINC001313663690 1070873252 /nfs/dbraw/zinc/87/32/52/1070873252.db2.gz GOHQVLPROFERML-RTWAWAEBSA-N 1 0 479.654 3.950 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nccs2)C1)c1ccccc1 ZINC001313663747 1070873722 /nfs/dbraw/zinc/87/37/22/1070873722.db2.gz HHPICBFOTIPTIZ-NHCUHLMSSA-N 1 0 497.669 3.534 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)s1 ZINC001313664881 1070878002 /nfs/dbraw/zinc/87/80/02/1070878002.db2.gz OYZHZUDOXXMRDL-CABCVRRESA-N 1 0 456.454 3.973 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(OC)CC1)c1ccccc1 ZINC001313665086 1070878424 /nfs/dbraw/zinc/87/84/24/1070878424.db2.gz OGKQXRNFCNSCFL-YIXXDRMTSA-N 1 0 482.673 3.993 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001313664994 1070878504 /nfs/dbraw/zinc/87/85/04/1070878504.db2.gz PFRDYRRPKFECEG-AZUAARDMSA-N 1 0 462.042 3.625 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(OC)CC1)c1ccccc1 ZINC001313665084 1070878559 /nfs/dbraw/zinc/87/85/59/1070878559.db2.gz OGKQXRNFCNSCFL-WNCULLNHSA-N 1 0 482.673 3.993 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(Cl)cc2F)n1CC[NH+]1CCCCCC1 ZINC001314707738 1070878984 /nfs/dbraw/zinc/87/89/84/1070878984.db2.gz YBQQUWCSVFYERA-UHFFFAOYSA-N 1 0 465.017 3.965 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001313665860 1070882062 /nfs/dbraw/zinc/88/20/62/1070882062.db2.gz SHJSYKVVGZUMOY-LJQANCHMSA-N 1 0 456.610 3.654 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC1CC(F)C1)c1ccccc1 ZINC001313666404 1070883872 /nfs/dbraw/zinc/88/38/72/1070883872.db2.gz WBWLGAJIRIMVOA-KITAHSCOSA-N 1 0 456.610 3.782 20 0 JHADRO CN(CC(C)(C)C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314709429 1070884953 /nfs/dbraw/zinc/88/49/53/1070884953.db2.gz CIZHAHBVIIOOHT-LJQANCHMSA-N 1 0 455.470 3.955 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001313666734 1070885869 /nfs/dbraw/zinc/88/58/69/1070885869.db2.gz ISBOULXSUDWCRL-QUCCMNQESA-N 1 0 464.655 3.553 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1)c1ccco1 ZINC001313666867 1070886195 /nfs/dbraw/zinc/88/61/95/1070886195.db2.gz YFJPBIBSCOOHQQ-SFTDATJTSA-N 1 0 465.602 3.821 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc([C@H]2CCOC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314710061 1070886950 /nfs/dbraw/zinc/88/69/50/1070886950.db2.gz PCNNAKOMVRFDRL-QFBILLFUSA-N 1 0 489.045 3.875 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313668416 1070891973 /nfs/dbraw/zinc/89/19/73/1070891973.db2.gz QUSZCDZJIKGOON-NRFANRHFSA-N 1 0 486.661 3.687 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001313668397 1070892016 /nfs/dbraw/zinc/89/20/16/1070892016.db2.gz QMBDMTRPONOJAK-NQIIRXRSSA-N 1 0 498.093 3.644 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001313668481 1070892381 /nfs/dbraw/zinc/89/23/81/1070892381.db2.gz PIXWIFHBYLEULE-IPMKNSEASA-N 1 0 474.616 3.611 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001313668746 1070893745 /nfs/dbraw/zinc/89/37/45/1070893745.db2.gz QVTUATQDVVXIOH-KIFXHHALSA-N 1 0 488.721 3.908 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOC2(CCC2)C1 ZINC001313669174 1070894197 /nfs/dbraw/zinc/89/41/97/1070894197.db2.gz SXPIVZQXHAZYFI-SLFFLAALSA-N 1 0 476.666 3.538 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313669298 1070894475 /nfs/dbraw/zinc/89/44/75/1070894475.db2.gz VVDFEQVOJPNPPR-GMAHTHKFSA-N 1 0 454.663 3.649 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)OC)CC1 ZINC001313669970 1070896122 /nfs/dbraw/zinc/89/61/22/1070896122.db2.gz XGSODKBQWRWRCO-INIZCTEOSA-N 1 0 499.443 3.783 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 ZINC001313670839 1070897929 /nfs/dbraw/zinc/89/79/29/1070897929.db2.gz CPCDSDKDSQMBBX-HSZRJFAPSA-N 1 0 490.656 3.513 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)c1ccco1 ZINC001313670815 1070898053 /nfs/dbraw/zinc/89/80/53/1070898053.db2.gz CCSOGJCLAXSXTJ-FQEVSTJZSA-N 1 0 471.650 3.852 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C2CC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC001313671349 1070899768 /nfs/dbraw/zinc/89/97/68/1070899768.db2.gz HSEGSJKAVZCKKI-JOCHJYFZSA-N 1 0 467.662 3.869 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(OC(C)C)CC1)c1ccco1 ZINC001313670877 1070898878 /nfs/dbraw/zinc/89/88/78/1070898878.db2.gz DKDIWZGUUICABH-NRFANRHFSA-N 1 0 455.607 3.749 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)OC)C1)c1ccccc1 ZINC001313671456 1070900145 /nfs/dbraw/zinc/90/01/45/1070900145.db2.gz JPUAQICCIQGIKT-ZRBLBEILSA-N 1 0 469.630 3.992 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC001313671513 1070900198 /nfs/dbraw/zinc/90/01/98/1070900198.db2.gz QUGZZNJZOYQYJW-GOSISDBHSA-N 1 0 459.689 3.752 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccco1 ZINC001313671719 1070900915 /nfs/dbraw/zinc/90/09/15/1070900915.db2.gz KKCOGAULJOUPQE-NRFANRHFSA-N 1 0 467.618 3.690 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001313671789 1070900963 /nfs/dbraw/zinc/90/09/63/1070900963.db2.gz SGKZGOMOOVMZIH-JOCHJYFZSA-N 1 0 481.689 3.613 20 0 JHADRO CC(C)C[C@H](CO)NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309653659 1070904785 /nfs/dbraw/zinc/90/47/85/1070904785.db2.gz DWSFHIJZRYPAJL-XPWALMASSA-N 1 0 451.032 3.634 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@H](COC)C1)c1ccsc1 ZINC001313672665 1070904922 /nfs/dbraw/zinc/90/49/22/1070904922.db2.gz AFJPFXVJUXJDIC-CWJKEVGVSA-N 1 0 463.648 3.514 20 0 JHADRO CN(CC(C)(C)C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCOC(C)(C)C ZINC001314715899 1070905643 /nfs/dbraw/zinc/90/56/43/1070905643.db2.gz QJGGPPNJQRSLGE-UHFFFAOYSA-N 1 0 456.679 3.940 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)c1ccccc1 ZINC001313673284 1070907299 /nfs/dbraw/zinc/90/72/99/1070907299.db2.gz DOJBBKUEEYMMOY-QPTUXGOLSA-N 1 0 468.646 3.517 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 ZINC001313673627 1070907764 /nfs/dbraw/zinc/90/77/64/1070907764.db2.gz KJORKEXOOBLAHZ-NRFANRHFSA-N 1 0 482.032 3.778 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001313673499 1070907834 /nfs/dbraw/zinc/90/78/34/1070907834.db2.gz YDKYNVASQBKNTC-QGZVFWFLSA-N 1 0 458.598 3.735 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cn(C)c3ccccc23)n1CCCC[NH+]1CCOCC1 ZINC001314717023 1070908294 /nfs/dbraw/zinc/90/82/94/1070908294.db2.gz BTBGDBQLRWDFRJ-UHFFFAOYSA-N 1 0 450.509 3.548 20 0 JHADRO O=S(=O)(NCCO[C@@H]1CC1(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309661343 1070908618 /nfs/dbraw/zinc/90/86/18/1070908618.db2.gz OJOGVHYNVWFFQD-PWRODBHTSA-N 1 0 470.969 3.652 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)C1)c1ccsc1 ZINC001313673879 1070909293 /nfs/dbraw/zinc/90/92/93/1070909293.db2.gz HHAWLOBQOADVRM-QHCPKHFHSA-N 1 0 496.681 3.897 20 0 JHADRO CN(CC(F)(F)F)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001314721890 1070919028 /nfs/dbraw/zinc/91/90/28/1070919028.db2.gz OVJMPBCZKPXXHQ-UHFFFAOYSA-N 1 0 483.579 4.000 20 0 JHADRO CN(CC(F)(F)F)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314718808 1070910985 /nfs/dbraw/zinc/91/09/85/1070910985.db2.gz CWKRGYPOTIQSFF-UHFFFAOYSA-N 1 0 458.960 3.547 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2ccccc2Br)n1CCC[NH+]1CCC(O)CC1 ZINC001314719365 1070912297 /nfs/dbraw/zinc/91/22/97/1070912297.db2.gz OVOBFZVQIMEJIJ-UHFFFAOYSA-N 1 0 476.341 3.553 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1)c1ccco1 ZINC001313676182 1070919516 /nfs/dbraw/zinc/91/95/16/1070919516.db2.gz DBZMWZBLDAEUKJ-NLFFAJNJSA-N 1 0 459.635 3.927 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)OC)CC1)c1ccco1 ZINC001313675208 1070915099 /nfs/dbraw/zinc/91/50/99/1070915099.db2.gz YCGPPEAIVMICRG-OAQYLSRUSA-N 1 0 466.586 3.714 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314720669 1070915476 /nfs/dbraw/zinc/91/54/76/1070915476.db2.gz DEFTZJVAMZVCOF-UHFFFAOYSA-N 1 0 489.455 3.704 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(-c2cccnc2)n1CCCC[NH+]1CCOCC1 ZINC001314722136 1070919793 /nfs/dbraw/zinc/91/97/93/1070919793.db2.gz IOPKVMXMAFQABF-UHFFFAOYSA-N 1 0 460.504 3.506 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccsc1 ZINC001313675728 1070918047 /nfs/dbraw/zinc/91/80/47/1070918047.db2.gz AVGQGEDIJHEOKJ-XMSQKQJNSA-N 1 0 484.645 3.820 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314722581 1070921833 /nfs/dbraw/zinc/92/18/33/1070921833.db2.gz NMUGXKFOHAIIJH-UHFFFAOYSA-N 1 0 478.563 3.832 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc(Cc2ccncc2)n1CC[N@H+]1CC=CCC1 ZINC001314724945 1070927162 /nfs/dbraw/zinc/92/71/62/1070927162.db2.gz AMTRQJXSEBNXKW-UHFFFAOYSA-N 1 0 457.376 3.518 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCOC2)n1CC[N@H+](C)C1CCCC1 ZINC001314725568 1070930702 /nfs/dbraw/zinc/93/07/02/1070930702.db2.gz PQNSJUTZSKPJHM-HNNXBMFYSA-N 1 0 452.397 3.648 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1C(C)C)c1ccccc1 ZINC001313680303 1070938479 /nfs/dbraw/zinc/93/84/79/1070938479.db2.gz TUGGZSMYCMJUBW-XPWALMASSA-N 1 0 473.687 3.888 20 0 JHADRO CN(Cc1ccc(Cl)c(F)c1)c1nnc(-c2cccn2C)n1CCC[NH+]1CCC(O)CC1 ZINC001314727827 1070939314 /nfs/dbraw/zinc/93/93/14/1070939314.db2.gz HOVHBVGZWHIROS-UHFFFAOYSA-N 1 0 460.985 3.559 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccco1 ZINC001313679462 1070935455 /nfs/dbraw/zinc/93/54/55/1070935455.db2.gz QQURHMOXUHMIQJ-AZUAARDMSA-N 1 0 478.519 3.708 20 0 JHADRO CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313683386 1070944092 /nfs/dbraw/zinc/94/40/92/1070944092.db2.gz CAGGVCOOELFZHQ-UHFFFAOYSA-N 1 0 479.467 3.588 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc(-c2ccccn2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314729976 1070945950 /nfs/dbraw/zinc/94/59/50/1070945950.db2.gz NHZYQKLIZOENII-QGZVFWFLSA-N 1 0 461.035 3.928 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313681620 1070941269 /nfs/dbraw/zinc/94/12/69/1070941269.db2.gz YDHUKBJCYSPVSA-FGZHOGPDSA-N 1 0 486.661 3.543 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccsc1 ZINC001313681777 1070942236 /nfs/dbraw/zinc/94/22/36/1070942236.db2.gz ZSFCEQRHWIDCIE-KNQAVFIVSA-N 1 0 496.681 3.689 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001313693786 1070955264 /nfs/dbraw/zinc/95/52/64/1070955264.db2.gz FWSOYLIQCDSQCQ-JGCGQSQUSA-N 1 0 459.660 3.566 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001313693660 1070955286 /nfs/dbraw/zinc/95/52/86/1070955286.db2.gz NCOLJWUHYAZNEE-UHFFFAOYSA-N 1 0 495.697 3.603 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001313694139 1070956008 /nfs/dbraw/zinc/95/60/08/1070956008.db2.gz DRMQFAKDRYCSTD-QGZVFWFLSA-N 1 0 466.552 3.749 20 0 JHADRO CN(Cc1ccc(F)cc1F)c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCCCC1 ZINC001314734229 1070956797 /nfs/dbraw/zinc/95/67/97/1070956797.db2.gz BQVYRPHQNKRWAA-UHFFFAOYSA-N 1 0 469.540 3.716 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(F)ccc2OC)CC1 ZINC001313694653 1070957194 /nfs/dbraw/zinc/95/71/94/1070957194.db2.gz XATFHCXYGDWPGR-UHFFFAOYSA-N 1 0 452.578 3.771 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@](C)(O)CCOC)CC1 ZINC001313696837 1070964411 /nfs/dbraw/zinc/96/44/11/1070964411.db2.gz XKHUPEWTNXBFDS-QHCPKHFHSA-N 1 0 450.027 3.697 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001313696846 1070964515 /nfs/dbraw/zinc/96/45/15/1070964515.db2.gz KEMYCEBPUSRHSV-UHFFFAOYSA-N 1 0 468.650 3.784 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC001313696542 1070961920 /nfs/dbraw/zinc/96/19/20/1070961920.db2.gz RLUTYWKOEZFYJY-FQEVSTJZSA-N 1 0 478.563 3.915 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(Cc2ccccn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314736836 1070963847 /nfs/dbraw/zinc/96/38/47/1070963847.db2.gz HSIPXOKCIAALDW-UUWRZZSWSA-N 1 0 480.682 3.760 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001313696828 1070963895 /nfs/dbraw/zinc/96/38/95/1070963895.db2.gz XIEOSWJBWCXNFJ-IBGZPJMESA-N 1 0 480.078 3.876 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 ZINC001313697278 1070965908 /nfs/dbraw/zinc/96/59/08/1070965908.db2.gz YANCBDYBSAANPS-XMMPIXPASA-N 1 0 470.021 3.607 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)N2CCCCC2)CC1 ZINC001313698045 1070967612 /nfs/dbraw/zinc/96/76/12/1070967612.db2.gz PMTVFGBWLCMHHW-UHFFFAOYSA-N 1 0 498.672 3.676 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001313697935 1070968890 /nfs/dbraw/zinc/96/88/90/1070968890.db2.gz XWQXSHKQGCJRFJ-ROUUACIJSA-N 1 0 462.639 3.718 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CC=CCO2)CC1 ZINC001313698854 1070971091 /nfs/dbraw/zinc/97/10/91/1070971091.db2.gz CVMSAQHJMMAWBU-XMMPIXPASA-N 1 0 494.684 3.578 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C)s2)CC1 ZINC001313698829 1070971663 /nfs/dbraw/zinc/97/16/63/1070971663.db2.gz NNUWZJJTJUERPW-UHFFFAOYSA-N 1 0 480.682 3.586 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001313698801 1070971689 /nfs/dbraw/zinc/97/16/89/1070971689.db2.gz MRGVVOHMRPZRQV-OALUTQOASA-N 1 0 491.105 3.870 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc([C@H]2CCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314740421 1070976008 /nfs/dbraw/zinc/97/60/08/1070976008.db2.gz UTPLAXNXIFZGRK-UWJYYQICSA-N 1 0 480.476 3.618 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1 ZINC001313699613 1070974760 /nfs/dbraw/zinc/97/47/60/1070974760.db2.gz DNPKPMFWSOBZDN-DYESRHJHSA-N 1 0 489.546 3.781 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCNc2nccc(C(F)(F)F)n2)C1 ZINC001313701107 1070978843 /nfs/dbraw/zinc/97/88/43/1070978843.db2.gz BLSIXENNXFJHKU-KRWDZBQOSA-N 1 0 492.550 3.936 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCc2cnn(C)n2)C1 ZINC001313701211 1070979531 /nfs/dbraw/zinc/97/95/31/1070979531.db2.gz CPPVVEYXNNZXSH-GOSISDBHSA-N 1 0 457.026 3.528 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2c(C)nn(C)c2C)C1 ZINC001313701544 1070980579 /nfs/dbraw/zinc/98/05/79/1070980579.db2.gz ILJCSSWDBKVPOH-HXUWFJFHSA-N 1 0 451.619 3.520 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC(C)(C)OC[C@@H]2C)cc1 ZINC001313700315 1070976809 /nfs/dbraw/zinc/97/68/09/1070976809.db2.gz RJXQCVYNEFUKAV-OYDLWJJNSA-N 1 0 485.673 3.896 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCOC(C)(C)[C@H]2C)cc1 ZINC001313700303 1070976818 /nfs/dbraw/zinc/97/68/18/1070976818.db2.gz QYYIHEZFFOVHHD-QDSKXPNFSA-N 1 0 485.673 3.896 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC=CO2)C1 ZINC001313703424 1070986763 /nfs/dbraw/zinc/98/67/63/1070986763.db2.gz WPVIIBTUTQUXGA-FPOVZHCZSA-N 1 0 455.603 3.823 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC=CO2)C1 ZINC001313703426 1070986794 /nfs/dbraw/zinc/98/67/94/1070986794.db2.gz WPVIIBTUTQUXGA-TZIWHRDSSA-N 1 0 455.603 3.823 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(N(C)C)nc2)C1 ZINC001313702064 1070982876 /nfs/dbraw/zinc/98/28/76/1070982876.db2.gz MAFSLLHQVHMMKZ-NRFANRHFSA-N 1 0 463.630 3.631 20 0 JHADRO CN(Cc1cccc(OC(F)F)c1)c1nnc(-c2cnccn2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314743350 1070983599 /nfs/dbraw/zinc/98/35/99/1070983599.db2.gz LRUQKEYHVJYGDM-IBGZPJMESA-N 1 0 469.496 3.869 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001313702634 1070984749 /nfs/dbraw/zinc/98/47/49/1070984749.db2.gz QUPAOCKJYIUDEK-RBUKOAKNSA-N 1 0 480.078 3.591 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)Cc1c(C)noc1C ZINC001313703208 1070986153 /nfs/dbraw/zinc/98/61/53/1070986153.db2.gz CBNMCXOPWFSUSG-UHFFFAOYSA-N 1 0 460.586 3.866 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313704140 1070989894 /nfs/dbraw/zinc/98/98/94/1070989894.db2.gz GUSAUJXCISABKU-UHFFFAOYSA-N 1 0 491.684 3.868 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313704450 1070990567 /nfs/dbraw/zinc/99/05/67/1070990567.db2.gz WEUNTBPJSJKLEB-LJQANCHMSA-N 1 0 456.635 3.922 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(C)cc(C)cc2C)C1 ZINC001313704593 1070991151 /nfs/dbraw/zinc/99/11/51/1070991151.db2.gz KOKMBMNMAOMYKT-JOCHJYFZSA-N 1 0 452.647 3.656 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001313704752 1070991184 /nfs/dbraw/zinc/99/11/84/1070991184.db2.gz LNPKRRFIIRRZNC-OAQYLSRUSA-N 1 0 463.630 3.516 20 0 JHADRO CN(Cc1ccccc1Br)c1nnc(Cc2ccncc2)n1CC[N@H+]1CC=CCC1 ZINC001314746622 1070992412 /nfs/dbraw/zinc/99/24/12/1070992412.db2.gz OEJNNDBUZZSTAK-UHFFFAOYSA-N 1 0 467.415 3.925 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001313705475 1070993640 /nfs/dbraw/zinc/99/36/40/1070993640.db2.gz URHTVDXFYJNCDL-HXUWFJFHSA-N 1 0 452.647 3.568 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCOC2)C1 ZINC001313705917 1070995047 /nfs/dbraw/zinc/99/50/47/1070995047.db2.gz FZGLFIOJVJXKKR-MSOLQXFVSA-N 1 0 462.436 3.912 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2Cc2cc(Cl)ccc2OC)CC1 ZINC001313706032 1070995705 /nfs/dbraw/zinc/99/57/05/1070995705.db2.gz YQAJWGUYPKKDNA-UHFFFAOYSA-N 1 0 489.064 3.636 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001313706125 1070995727 /nfs/dbraw/zinc/99/57/27/1070995727.db2.gz XTUFJBFTOYTOJH-MZKRTTBSSA-N 1 0 473.687 3.553 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)c2ccco2)C1 ZINC001313706294 1070996324 /nfs/dbraw/zinc/99/63/24/1070996324.db2.gz HBUFVLQMUQWVKM-IDISGSTGSA-N 1 0 494.640 3.816 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)C1 ZINC001313706700 1070996925 /nfs/dbraw/zinc/99/69/25/1070996925.db2.gz IPTPRTYLKAHVMP-RTWAWAEBSA-N 1 0 474.719 3.879 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccn2C(F)F)C1 ZINC001313707755 1070998766 /nfs/dbraw/zinc/99/87/66/1070998766.db2.gz PJKCCUDMYVXTRV-CQSZACIVSA-N 1 0 497.392 3.844 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001313710039 1071003456 /nfs/dbraw/zinc/00/34/56/1071003456.db2.gz HNTFOSHDPXMLSH-HZPDHXFCSA-N 1 0 472.581 3.668 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2cccc(C)c2)C1 ZINC001313709180 1071001378 /nfs/dbraw/zinc/00/13/78/1071001378.db2.gz HRYFRAHNVSZGMD-YADHBBJMSA-N 1 0 452.647 3.681 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2csc(C)c2)C1 ZINC001313709796 1071002878 /nfs/dbraw/zinc/00/28/78/1071002878.db2.gz QPOYUDUWRFDREZ-SFHVURJKSA-N 1 0 472.684 3.856 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC=CCO2)C1 ZINC001313709644 1071002914 /nfs/dbraw/zinc/00/29/14/1071002914.db2.gz OVIVMVIKCSOHQT-FKBYEOEOSA-N 1 0 488.677 3.863 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCSC2(C)C)C1 ZINC001313710408 1071004353 /nfs/dbraw/zinc/00/43/53/1071004353.db2.gz ZSKYJYGTPASBNG-TUFLPTIASA-N 1 0 465.708 3.702 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2cnc(C)s2)C1 ZINC001313710351 1071004371 /nfs/dbraw/zinc/00/43/71/1071004371.db2.gz YWCOGJKLWVJNGW-SFHVURJKSA-N 1 0 458.607 3.978 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2cc(C)oc2C)C1 ZINC001313710659 1071005376 /nfs/dbraw/zinc/00/53/76/1071005376.db2.gz BKBRIBMSRYYWQL-LVXARBLLSA-N 1 0 466.630 3.550 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001313710970 1071005791 /nfs/dbraw/zinc/00/57/91/1071005791.db2.gz DTZOFQQWWHXLAS-JOCHJYFZSA-N 1 0 486.636 3.655 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001313711384 1071006103 /nfs/dbraw/zinc/00/61/03/1071006103.db2.gz MJXMGEVELHDJCT-MOPGFXCFSA-N 1 0 467.536 3.897 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCOC1 ZINC001313712236 1071008029 /nfs/dbraw/zinc/00/80/29/1071008029.db2.gz LRKKRIUJPWJXNX-QGZVFWFLSA-N 1 0 450.425 3.912 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C3CCCC3)n2CCNC(=O)c2cccc(C)c2)C1 ZINC001313712060 1071008122 /nfs/dbraw/zinc/00/81/22/1071008122.db2.gz OVLWEZMFJNTKGX-OAQYLSRUSA-N 1 0 452.647 3.842 20 0 JHADRO CN(Cc1ccccn1)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+](C)C1CCCCC1 ZINC001314754963 1071008175 /nfs/dbraw/zinc/00/81/75/1071008175.db2.gz OBTQZTKEHZBJPV-UHFFFAOYSA-N 1 0 467.643 3.566 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCC(C(F)(F)F)CC2)C1 ZINC001313712479 1071008782 /nfs/dbraw/zinc/00/87/82/1071008782.db2.gz PZJTTZSSYPMCKL-JEVOJNTISA-N 1 0 470.584 3.766 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001313715451 1071014223 /nfs/dbraw/zinc/01/42/23/1071014223.db2.gz DRQCAWUVDPPRBA-MHZLTWQESA-N 1 0 482.673 3.603 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)COC)C1 ZINC001313713484 1071010317 /nfs/dbraw/zinc/01/03/17/1071010317.db2.gz UVBOGOIUFBXYEM-LEWJYISDSA-N 1 0 492.709 3.843 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C1CCCCC1 ZINC001313715540 1071014486 /nfs/dbraw/zinc/01/44/86/1071014486.db2.gz ILEIANDXUYLUEJ-UHFFFAOYSA-N 1 0 451.619 3.693 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001313714387 1071012050 /nfs/dbraw/zinc/01/20/50/1071012050.db2.gz LAPZCTBKKQAOFO-UHFFFAOYSA-N 1 0 473.666 3.899 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001313715084 1071013562 /nfs/dbraw/zinc/01/35/62/1071013562.db2.gz DFOVXJSUIQQEKB-UHFFFAOYSA-N 1 0 489.546 3.623 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001313715854 1071015141 /nfs/dbraw/zinc/01/51/41/1071015141.db2.gz LIWGAVMKNBMCKM-HXUWFJFHSA-N 1 0 451.594 3.926 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCO[C@@H](C)C1 ZINC001313716323 1071016208 /nfs/dbraw/zinc/01/62/08/1071016208.db2.gz QVTKISQBQBAQQI-FQEVSTJZSA-N 1 0 481.645 3.583 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314761049 1071017421 /nfs/dbraw/zinc/01/74/21/1071017421.db2.gz VVXNKDSOAZUJIT-QHAWAJNXSA-N 1 0 457.667 3.687 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313718264 1071018218 /nfs/dbraw/zinc/01/82/18/1071018218.db2.gz PSBBDELWWOAZAP-QUCCMNQESA-N 1 0 469.552 3.768 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2F)nnc1N1CCSC2(CCOCC2)C1 ZINC001313718535 1071018783 /nfs/dbraw/zinc/01/87/83/1071018783.db2.gz RPHRDEHHHKTINW-UHFFFAOYSA-N 1 0 477.650 3.545 20 0 JHADRO CC[NH+](CC)CCCn1c(N2CCc3ccccc3CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313719584 1071020724 /nfs/dbraw/zinc/02/07/24/1071020724.db2.gz AFJGUUBLIHDQEP-AREMUKBSSA-N 1 0 455.647 3.656 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccc(Br)s2)nnc1N1CC=CCC1 ZINC001313720574 1071021720 /nfs/dbraw/zinc/02/17/20/1071021720.db2.gz NZSCLEKBKJRUNN-UHFFFAOYSA-N 1 0 454.438 3.894 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)C1 ZINC001313720908 1071022049 /nfs/dbraw/zinc/02/20/49/1071022049.db2.gz UQTYIMZKSXUPBI-QGZVFWFLSA-N 1 0 450.425 3.912 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)C1 ZINC001313720907 1071022104 /nfs/dbraw/zinc/02/21/04/1071022104.db2.gz UQTYIMZKSXUPBI-KRWDZBQOSA-N 1 0 450.425 3.912 20 0 JHADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001309935976 1071022133 /nfs/dbraw/zinc/02/21/33/1071022133.db2.gz JQVSHYZZUIIYJP-UHFFFAOYSA-N 1 0 458.967 3.784 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001313720779 1071022165 /nfs/dbraw/zinc/02/21/65/1071022165.db2.gz ZYFSJLHZBOWPNU-JOCHJYFZSA-N 1 0 472.634 3.552 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001313721225 1071023435 /nfs/dbraw/zinc/02/34/35/1071023435.db2.gz IGVDWBZLWAKSBQ-HLAWJBBLSA-N 1 0 457.619 3.555 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001313722436 1071026822 /nfs/dbraw/zinc/02/68/22/1071026822.db2.gz ZUSFKKFMCHDKBH-QGZVFWFLSA-N 1 0 466.552 3.570 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C)(C)CC1 ZINC001313722513 1071027472 /nfs/dbraw/zinc/02/74/72/1071027472.db2.gz DHTDVGBXNMTVDP-GOSISDBHSA-N 1 0 475.707 3.903 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001313724460 1071031075 /nfs/dbraw/zinc/03/10/75/1071031075.db2.gz WMRYVEXUFJLZRJ-HXUWFJFHSA-N 1 0 496.059 3.995 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1 ZINC001313724511 1071031080 /nfs/dbraw/zinc/03/10/80/1071031080.db2.gz RFRJUXHDTDJBQI-NJYVYQBISA-N 1 0 478.682 3.943 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 ZINC001313727059 1071036226 /nfs/dbraw/zinc/03/62/26/1071036226.db2.gz VTGCBLKIZVVEEG-QUCCMNQESA-N 1 0 472.638 3.507 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001313727147 1071036266 /nfs/dbraw/zinc/03/62/66/1071036266.db2.gz YMSDKVDXWLYAJT-UHFFFAOYSA-N 1 0 474.600 3.941 20 0 JHADRO CN(Cc1ccsc1)c1nnc(CNC(=O)c2cccs2)n1CC[NH+]1CCCCCC1 ZINC001314770081 1071032624 /nfs/dbraw/zinc/03/26/24/1071032624.db2.gz YDUWIQIWNUVUJH-UHFFFAOYSA-N 1 0 458.657 3.844 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001313727330 1071036692 /nfs/dbraw/zinc/03/66/92/1071036692.db2.gz PLNZTYKKKWBFFJ-YADHBBJMSA-N 1 0 465.646 3.932 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(Br)c1 ZINC001313726472 1071035219 /nfs/dbraw/zinc/03/52/19/1071035219.db2.gz ARVBYBNRXDJZGT-QGZVFWFLSA-N 1 0 477.451 3.530 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1CCSC2(CCOCC2)C1 ZINC001313727494 1071037158 /nfs/dbraw/zinc/03/71/58/1071037158.db2.gz BBMHGWNKSJXCOF-OAQYLSRUSA-N 1 0 457.688 3.896 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cccnc2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001313727994 1071038222 /nfs/dbraw/zinc/03/82/22/1071038222.db2.gz BYXPEZDSAFHHIH-LJQANCHMSA-N 1 0 461.614 3.551 20 0 JHADRO C[N@H+](CCNC(=O)C1CCN(C(=O)Nc2nc3ccccc3s2)CC1)Cc1ccccc1 ZINC001309981397 1071038213 /nfs/dbraw/zinc/03/82/13/1071038213.db2.gz WEYIMKXMUUFCBX-UHFFFAOYSA-N 1 0 451.596 3.788 20 0 JHADRO NC(=O)CSc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001309985615 1071039827 /nfs/dbraw/zinc/03/98/27/1071039827.db2.gz ARCLIABFZFMISD-INIZCTEOSA-N 1 0 452.502 3.679 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 ZINC001313728813 1071040618 /nfs/dbraw/zinc/04/06/18/1071040618.db2.gz WPKWPFJVJRNXSX-KOSHJBKYSA-N 1 0 457.619 3.898 20 0 JHADRO CN(Cc1nccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314773290 1071041644 /nfs/dbraw/zinc/04/16/44/1071041644.db2.gz WPGDZDDYCIMPLM-GOSISDBHSA-N 1 0 468.631 3.529 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001313730566 1071045076 /nfs/dbraw/zinc/04/50/76/1071045076.db2.gz IXNUOHHJXONRTE-GOSISDBHSA-N 1 0 495.640 3.749 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001313731301 1071047157 /nfs/dbraw/zinc/04/71/57/1071047157.db2.gz QMVNWRKGBARMDR-AVRDEDQJSA-N 1 0 463.573 3.671 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314775854 1071047253 /nfs/dbraw/zinc/04/72/53/1071047253.db2.gz UUOZQTQMVPESBQ-RTBURBONSA-N 1 0 476.000 3.985 20 0 JHADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Nc2cccc(C3SCCS3)c2)CC1 ZINC001309997982 1071047409 /nfs/dbraw/zinc/04/74/09/1071047409.db2.gz DBRHMJLYOGGZPP-UHFFFAOYSA-N 1 0 450.674 3.913 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001314776674 1071048550 /nfs/dbraw/zinc/04/85/50/1071048550.db2.gz AZQIVIYDDYBKEZ-QGZVFWFLSA-N 1 0 476.576 3.889 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314777442 1071050510 /nfs/dbraw/zinc/05/05/10/1071050510.db2.gz RSAOFIAIVGVUFO-KRWDZBQOSA-N 1 0 490.946 3.987 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001313733653 1071052604 /nfs/dbraw/zinc/05/26/04/1071052604.db2.gz HTHVORWFNIXKLW-GMAHTHKFSA-N 1 0 459.610 3.695 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001313733916 1071053141 /nfs/dbraw/zinc/05/31/41/1071053141.db2.gz MVBSICZMSKWOBS-DHIUTWEWSA-N 1 0 494.640 3.796 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(Cc2ccc(F)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314782790 1071058398 /nfs/dbraw/zinc/05/83/98/1071058398.db2.gz HURFSLCVKGLDKT-UHFFFAOYSA-N 1 0 451.537 3.600 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCCO2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001313734507 1071054677 /nfs/dbraw/zinc/05/46/77/1071054677.db2.gz RRFGXSZRAQFQDP-XUZZJYLKSA-N 1 0 482.673 3.978 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001313734527 1071054770 /nfs/dbraw/zinc/05/47/70/1071054770.db2.gz RZEBXTCZIZXAAU-FYYLOGMGSA-N 1 0 496.681 3.875 20 0 JHADRO CN(Cc1ccon1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314780204 1071055075 /nfs/dbraw/zinc/05/50/75/1071055075.db2.gz CNONVWRKOHBKTP-YZGWKJHDSA-N 1 0 487.649 3.794 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314783310 1071058993 /nfs/dbraw/zinc/05/89/93/1071058993.db2.gz RTDZHRJAAQTOSC-QGZVFWFLSA-N 1 0 453.965 3.927 20 0 JHADRO CN(CC1CCC1)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314791711 1071069394 /nfs/dbraw/zinc/06/93/94/1071069394.db2.gz MVHBVCXIDNFJGQ-MRXNPFEDSA-N 1 0 468.465 3.852 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)[NH+](C)C ZINC001313742752 1071069438 /nfs/dbraw/zinc/06/94/38/1071069438.db2.gz UNBLOSGLJQQWJN-SFHVURJKSA-N 1 0 469.659 3.523 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001313743045 1071069564 /nfs/dbraw/zinc/06/95/64/1071069564.db2.gz ZGJOXGZTIKSGCE-JOCHJYFZSA-N 1 0 496.059 3.963 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc(Cc2ccncc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313742288 1071069066 /nfs/dbraw/zinc/06/90/66/1071069066.db2.gz YKINHCWGIDQCQV-UHFFFAOYSA-N 1 0 462.642 3.834 20 0 JHADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC001310019315 1071064583 /nfs/dbraw/zinc/06/45/83/1071064583.db2.gz JWTWEFHCDVNHPY-OAQYLSRUSA-N 1 0 455.990 3.717 20 0 JHADRO CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001313744210 1071071604 /nfs/dbraw/zinc/07/16/04/1071071604.db2.gz STTZQNFAFAILPV-SFHVURJKSA-N 1 0 458.657 3.967 20 0 JHADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)[C@H]1c1cccs1 ZINC001310029221 1071071971 /nfs/dbraw/zinc/07/19/71/1071071971.db2.gz OKDOKTUAIHOWTR-JPYJTQIMSA-N 1 0 456.612 3.954 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313745618 1071074064 /nfs/dbraw/zinc/07/40/64/1071074064.db2.gz JTDZHTOYZQEILZ-SFTDATJTSA-N 1 0 466.605 3.929 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313745477 1071074179 /nfs/dbraw/zinc/07/41/79/1071074179.db2.gz SLKLAWPNMSCYQO-BGYRXZFFSA-N 1 0 495.603 3.590 20 0 JHADRO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001310035154 1071074588 /nfs/dbraw/zinc/07/45/88/1071074588.db2.gz VSIFPGOOPJKXBV-JOCHJYFZSA-N 1 0 450.505 3.872 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314800957 1071081628 /nfs/dbraw/zinc/08/16/28/1071081628.db2.gz HCSHHDJNIKQMRY-SBUREZEXSA-N 1 0 465.614 3.590 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313750408 1071082313 /nfs/dbraw/zinc/08/23/13/1071082313.db2.gz HYOCTEXEPCDLHM-BGYRXZFFSA-N 1 0 481.645 3.602 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001310047307 1071083118 /nfs/dbraw/zinc/08/31/18/1071083118.db2.gz LIJJAGOQLVQZDU-UHFFFAOYSA-N 1 0 452.889 3.995 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc([C@H](C)Oc2ccccc2F)n1CC[N@H+]1CC=CCC1 ZINC001313750923 1071084702 /nfs/dbraw/zinc/08/47/02/1071084702.db2.gz AYLJZWHANMQBNP-IBGZPJMESA-N 1 0 453.566 3.579 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001313751868 1071087296 /nfs/dbraw/zinc/08/72/96/1071087296.db2.gz JNALMCDGUHFRFR-FQEVSTJZSA-N 1 0 489.466 3.916 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314804006 1071088618 /nfs/dbraw/zinc/08/86/18/1071088618.db2.gz XGDPDPZRFWCULH-OALUTQOASA-N 1 0 466.001 3.590 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314804403 1071089761 /nfs/dbraw/zinc/08/97/61/1071089761.db2.gz ZSAMTJYXASJPND-OAQYLSRUSA-N 1 0 489.686 3.618 20 0 JHADRO Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)ccc1N1CC[NH+](C)CC1 ZINC001310059651 1071090464 /nfs/dbraw/zinc/09/04/64/1071090464.db2.gz KEJUDBNMMCHQJP-HXUWFJFHSA-N 1 0 455.990 3.717 20 0 JHADRO Cc1cc(NC(=O)N2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)ccc1N1CC[NH+](C)CC1 ZINC001310060718 1071091487 /nfs/dbraw/zinc/09/14/87/1071091487.db2.gz WQIXOBKGYQFASH-KBMIEXCESA-N 1 0 457.619 3.658 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001313755685 1071096384 /nfs/dbraw/zinc/09/63/84/1071096384.db2.gz XSAZJCSIIQJAGV-IBGZPJMESA-N 1 0 456.664 3.514 20 0 JHADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccc(Br)cc1Br ZINC001310072353 1071098415 /nfs/dbraw/zinc/09/84/15/1071098415.db2.gz RQFTVKQPCVZIDE-LBPRGKRZSA-N 1 0 450.219 3.605 20 0 JHADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001310073166 1071099005 /nfs/dbraw/zinc/09/90/05/1071099005.db2.gz KNHIPGNMGBVXFV-QFIPXVFZSA-N 1 0 458.628 3.546 20 0 JHADRO CN(C[C@H]1CCN(c2nnc(-c3cccnc3)n2CC[NH+]2CCCCCC2)C1)C(=O)OC(C)(C)C ZINC001314809478 1071100796 /nfs/dbraw/zinc/10/07/96/1071100796.db2.gz FIYCKUKZAWPQQY-OAQYLSRUSA-N 1 0 483.661 3.909 20 0 JHADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc(-c2cccnc2)n1CCNC(=O)OC(C)(C)C ZINC001314811138 1071104937 /nfs/dbraw/zinc/10/49/37/1071104937.db2.gz KVYBUNJHVGLGTH-JOCHJYFZSA-N 1 0 491.640 3.823 20 0 JHADRO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc([C@H]2CCCOC2)n1CC[NH+](C(C)C)C(C)C ZINC001313761054 1071108729 /nfs/dbraw/zinc/10/87/29/1071108729.db2.gz ZVRDJHUWHGWTPD-FQEVSTJZSA-N 1 0 481.645 3.966 20 0 JHADRO CCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001313764093 1071110753 /nfs/dbraw/zinc/11/07/53/1071110753.db2.gz CXBWKMVUTZBTQI-GHTZIAJQSA-N 1 0 459.660 3.546 20 0 JHADRO CN(C[C@H]1CCOC1)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[NH+]1CCSCC1 ZINC001314813759 1071115790 /nfs/dbraw/zinc/11/57/90/1071115790.db2.gz NHEZGULEEPURLK-MRXNPFEDSA-N 1 0 486.469 3.685 20 0 JHADRO CCN(CC1CCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001313768558 1071117056 /nfs/dbraw/zinc/11/70/56/1071117056.db2.gz RIHPIUMGXDAVFZ-DENIHFKCSA-N 1 0 473.687 3.936 20 0 JHADRO CCN(CC1CCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001313766451 1071114175 /nfs/dbraw/zinc/11/41/75/1071114175.db2.gz ISAYSLQCZVPMRV-IBGZPJMESA-N 1 0 459.660 3.707 20 0 JHADRO CN(C)c1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c(C(F)(F)F)c1 ZINC001310105476 1071121047 /nfs/dbraw/zinc/12/10/47/1071121047.db2.gz LZTGUYBUPRXJLT-UTKZUKDTSA-N 1 0 450.505 3.776 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(Br)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001313772065 1071123282 /nfs/dbraw/zinc/12/32/82/1071123282.db2.gz OKEPXYYQOOXRLA-HXUWFJFHSA-N 1 0 492.462 3.824 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001313775335 1071131856 /nfs/dbraw/zinc/13/18/56/1071131856.db2.gz FUFCVCVQJOWXKS-SFTDATJTSA-N 1 0 492.462 3.560 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001313778221 1071138657 /nfs/dbraw/zinc/13/86/57/1071138657.db2.gz GSBDTIACOVPSFF-QXNYZMARSA-N 1 0 463.667 3.518 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314823169 1071143620 /nfs/dbraw/zinc/14/36/20/1071143620.db2.gz AHTWTTYQBBUZIO-OAQYLSRUSA-N 1 0 479.576 3.957 20 0 JHADRO Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)cn2)cc1C ZINC001310133861 1071144164 /nfs/dbraw/zinc/14/41/64/1071144164.db2.gz DTEQIOCOTHEDHC-UHFFFAOYSA-N 1 0 451.571 3.828 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1(C)CCCO1 ZINC001314823526 1071144971 /nfs/dbraw/zinc/14/49/71/1071144971.db2.gz HSVDZEFUGYTTTA-QHCPKHFHSA-N 1 0 480.579 3.601 20 0 JHADRO CN(CCC(F)F)c1nnc(CN2CCCC2=O)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001314828258 1071155358 /nfs/dbraw/zinc/15/53/58/1071155358.db2.gz YXCVRIKDOJDJOU-UHFFFAOYSA-N 1 0 460.573 3.526 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CC=CCC2)C1)CC(F)(F)F ZINC001313784483 1071155502 /nfs/dbraw/zinc/15/55/02/1071155502.db2.gz IFRFTXNFOJEQOT-IBGZPJMESA-N 1 0 497.635 3.606 20 0 JHADRO CN(CCc1ccc(Br)cc1)c1nnc([C@H]2CCCO2)n1CC1([NH+](C)C)CCOCC1 ZINC001314829055 1071157639 /nfs/dbraw/zinc/15/76/39/1071157639.db2.gz ONMAUQYRCWPHLH-HXUWFJFHSA-N 1 0 492.462 3.682 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001313785655 1071158829 /nfs/dbraw/zinc/15/88/29/1071158829.db2.gz YRMHVNXFXOSGTF-LJQANCHMSA-N 1 0 474.675 3.539 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C2CC2)[NH+](C)C)C1)CC(F)(F)F ZINC001313786041 1071162336 /nfs/dbraw/zinc/16/23/36/1071162336.db2.gz NQVOWDNQXVJJJZ-IEBWSBKVSA-N 1 0 458.617 3.917 20 0 JHADRO COc1ccccc1OCC(=O)Nc1cccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001310159780 1071165007 /nfs/dbraw/zinc/16/50/07/1071165007.db2.gz PQXWUXVARVAQLC-NRFANRHFSA-N 1 0 452.555 3.851 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)C[NH+]2CCOCC2)C1)CC(F)(F)F ZINC001313788158 1071173065 /nfs/dbraw/zinc/17/30/65/1071173065.db2.gz ZBECGCBNHABUEO-PMACEKPBSA-N 1 0 486.627 3.615 20 0 JHADRO CN(CCC1CCN(c2nnc(CC3CC3)n2CC[N@H+]2CC=CCC2)CC1)C(=O)OC(C)(C)C ZINC001314837426 1071179693 /nfs/dbraw/zinc/17/96/93/1071179693.db2.gz BRDFJUWVAISNDY-UHFFFAOYSA-N 1 0 472.678 3.966 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCC(O)CC2)C1)CC(F)(F)F ZINC001313788856 1071176798 /nfs/dbraw/zinc/17/67/98/1071176798.db2.gz MLRAIEKNBPOIIJ-HXUWFJFHSA-N 1 0 494.606 3.502 20 0 JHADRO 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CC[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(C)C ZINC001313811027 1071243904 /nfs/dbraw/zinc/24/39/04/1071243904.db2.gz QHXDXNLDIHZPGV-UHFFFAOYSA-N 1 0 470.021 3.619 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)CCC(F)(F)F ZINC001313811181 1071244597 /nfs/dbraw/zinc/24/45/97/1071244597.db2.gz UQQCTWPLNIGAJL-OAHLLOKOSA-N 1 0 481.489 3.620 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccn2)nnc1N1CCC[C@H](c2nc(C)no2)C1)CCC(F)(F)F ZINC001313811625 1071246858 /nfs/dbraw/zinc/24/68/58/1071246858.db2.gz XNRLYOZWMXSOBY-KRWDZBQOSA-N 1 0 478.523 3.690 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C1CCC2(CC1)OCCO2)C(C)C ZINC001313812498 1071250765 /nfs/dbraw/zinc/25/07/65/1071250765.db2.gz ZIVSORIWQBABSI-UHFFFAOYSA-N 1 0 487.645 3.815 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)C(C)C ZINC001313811929 1071247644 /nfs/dbraw/zinc/24/76/44/1071247644.db2.gz MIRMDRDDKOHLRL-FQEVSTJZSA-N 1 0 467.618 3.835 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)F)CC1)CCC(F)(F)F ZINC001313811952 1071248735 /nfs/dbraw/zinc/24/87/35/1071248735.db2.gz NCSAHOKHPURIQD-UHFFFAOYSA-N 1 0 495.928 3.655 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)C1CC1 ZINC001313812148 1071249307 /nfs/dbraw/zinc/24/93/07/1071249307.db2.gz CIYIGIJATWEAQI-JOCHJYFZSA-N 1 0 466.552 3.663 20 0 JHADRO CC[N@H+](CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CCC(C)CC1)C(C)C ZINC001313812085 1071249527 /nfs/dbraw/zinc/24/95/27/1071249527.db2.gz AKUNVHBNGJGTNS-UHFFFAOYSA-N 1 0 475.707 3.983 20 0 JHADRO CC(C)N(C)c1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001310264782 1071249790 /nfs/dbraw/zinc/24/97/90/1071249790.db2.gz SGMGRMIYTVEGQD-JOCHJYFZSA-N 1 0 450.631 3.992 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001314862794 1071257442 /nfs/dbraw/zinc/25/74/42/1071257442.db2.gz JAJKKRDYHFLXQZ-UHFFFAOYSA-N 1 0 492.521 3.903 20 0 JHADRO 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CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2ccccc2)n1CCCOC(F)F ZINC001314893086 1071323185 /nfs/dbraw/zinc/32/31/85/1071323185.db2.gz NVZUCWRBCRAVJA-PZJWPPBQSA-N 1 0 473.572 3.827 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC001313841923 1071327336 /nfs/dbraw/zinc/32/73/36/1071327336.db2.gz KBALICFYMPGAJK-SCPDWHHUSA-N 1 0 487.693 3.611 20 0 JHADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001310347164 1071329023 /nfs/dbraw/zinc/32/90/23/1071329023.db2.gz PKEGCAKBSYVRCN-UHFFFAOYSA-N 1 0 457.619 3.612 20 0 JHADRO Cc1ccc(NC(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c(OCC[NH+](C)C)c1 ZINC001310353156 1071332139 /nfs/dbraw/zinc/33/21/39/1071332139.db2.gz WWADIARYDXZOJF-GOSISDBHSA-N 1 0 451.976 3.581 20 0 JHADRO COc1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1NS(C)(=O)=O ZINC001310356091 1071334218 /nfs/dbraw/zinc/33/42/18/1071334218.db2.gz UWABHEXKTOGLKA-KRWDZBQOSA-N 1 0 452.621 3.575 20 0 JHADRO O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001310356438 1071334682 /nfs/dbraw/zinc/33/46/82/1071334682.db2.gz FXEPYWWJMBMNLH-INIZCTEOSA-N 1 0 454.518 3.939 20 0 JHADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(C(C)(C)C)n3CCc3ccccc3OC(F)F)CC2)cn1 ZINC001314905134 1071343724 /nfs/dbraw/zinc/34/37/24/1071343724.db2.gz NTUZISLSFUBQIH-UHFFFAOYSA-N 1 0 487.599 3.866 20 0 JHADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(CC(C)(C)C)n3CCc3cccc(F)c3F)CC2)cn1 ZINC001314905277 1071343806 /nfs/dbraw/zinc/34/38/06/1071343806.db2.gz UMRXSCAJGKVFPR-UHFFFAOYSA-N 1 0 471.600 3.833 20 0 JHADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(C(C)(C)C)n3CCOC3CCCCCC3)CC2)cn1 ZINC001314905465 1071344559 /nfs/dbraw/zinc/34/45/59/1071344559.db2.gz YHZBWTHYIUDGSA-UHFFFAOYSA-N 1 0 457.667 3.761 20 0 JHADRO CCn1cc(Cn2c(COc3ccc(C)cc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cn1 ZINC001313850034 1071346487 /nfs/dbraw/zinc/34/64/87/1071346487.db2.gz SMDXANSYSYDSDB-UHFFFAOYSA-N 1 0 465.646 3.988 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC=CO2)C[C@H]1C ZINC001313858548 1071359428 /nfs/dbraw/zinc/35/94/28/1071359428.db2.gz BNCPNFLKEUGBLV-HBFSDRIKSA-N 1 0 471.602 3.583 20 0 JHADRO Cn1cnnc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001314917456 1071359616 /nfs/dbraw/zinc/35/96/16/1071359616.db2.gz XLJBOUYXUZALFA-UHFFFAOYSA-N 1 0 464.662 3.978 20 0 JHADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC(C)(C)C)CC1 ZINC001314923748 1071366387 /nfs/dbraw/zinc/36/63/87/1071366387.db2.gz GXCFBVKNPIIQND-IBGZPJMESA-N 1 0 474.053 3.563 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CCCOCCOC)C[C@H]1C ZINC001313859621 1071365305 /nfs/dbraw/zinc/36/53/05/1071365305.db2.gz HHPWMCWFEPBFAT-RTBURBONSA-N 1 0 494.478 3.988 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC2CC2)C[C@@H]1C ZINC001313860036 1071366887 /nfs/dbraw/zinc/36/68/87/1071366887.db2.gz IONRTSGHYGLDBL-OKZBNKHCSA-N 1 0 475.037 3.517 20 0 JHADRO CN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC001314925544 1071367898 /nfs/dbraw/zinc/36/78/98/1071367898.db2.gz BBOWKNVGZBKGGF-AREMUKBSSA-N 1 0 455.647 3.990 20 0 JHADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C(C)(F)F)cc2)CC1 ZINC001314925351 1071368040 /nfs/dbraw/zinc/36/80/40/1071368040.db2.gz XHLQETATAJJLOE-OAQYLSRUSA-N 1 0 488.627 3.770 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2cccc(C)c2)C[C@H]1C ZINC001313860217 1071369246 /nfs/dbraw/zinc/36/92/46/1071369246.db2.gz JFRGARDWGMAXDL-UFPGJGBJSA-N 1 0 471.646 3.625 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001314926218 1071369391 /nfs/dbraw/zinc/36/93/91/1071369391.db2.gz DHKMAILQOOBLDP-NRFANRHFSA-N 1 0 458.695 3.826 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)O)C[C@@H]1C ZINC001313860915 1071372332 /nfs/dbraw/zinc/37/23/32/1071372332.db2.gz NEXQEHPXORRWNA-JKSUJKDBSA-N 1 0 450.425 3.706 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CCCCSC)c2ccccc2c1=O ZINC001313861076 1071372701 /nfs/dbraw/zinc/37/27/01/1071372701.db2.gz BVNDXDKHCFKZHX-OALUTQOASA-N 1 0 483.686 3.737 20 0 JHADRO C[N@@H+]1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC001314929148 1071373021 /nfs/dbraw/zinc/37/30/21/1071373021.db2.gz VMKMNBUDVACITE-CVDCTZTESA-N 1 0 481.563 3.530 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCc2cnn(C)n2)C[C@H]1C ZINC001313862360 1071375963 /nfs/dbraw/zinc/37/59/63/1071375963.db2.gz PYVZNRALSVDYIJ-RZUBCFFCSA-N 1 0 480.661 3.715 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCc2nccnc2C)C[C@H]1C ZINC001313862371 1071376284 /nfs/dbraw/zinc/37/62/84/1071376284.db2.gz QCKCADLSEKPEPJ-IAGOWNOFSA-N 1 0 484.446 3.968 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CC(F)(F)CO2)C[C@@H]1C ZINC001313861948 1071376506 /nfs/dbraw/zinc/37/65/06/1071376506.db2.gz OJHBWVOQYRZGHJ-OGNFBWPZSA-N 1 0 467.536 3.900 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(C)(C)C)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313863049 1071379469 /nfs/dbraw/zinc/37/94/69/1071379469.db2.gz UYIDEWXWIUZRGT-HZPDHXFCSA-N 1 0 454.541 3.987 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3)n2CCCOCC2CCOCC2)C[C@@H]1C ZINC001313862886 1071379635 /nfs/dbraw/zinc/37/96/35/1071379635.db2.gz COWFVUOANXSPCF-LEWJYISDSA-N 1 0 471.646 3.706 20 0 JHADRO CC[C@H](CNC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001310421290 1071380140 /nfs/dbraw/zinc/38/01/40/1071380140.db2.gz RAFALSDYZXZCBA-XMMPIXPASA-N 1 0 450.583 3.554 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC001313863323 1071381293 /nfs/dbraw/zinc/38/12/93/1071381293.db2.gz CWLWBMYAEQHTAD-OALUTQOASA-N 1 0 463.630 3.717 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)c(OC)c2)C[C@H]1C ZINC001313864422 1071386487 /nfs/dbraw/zinc/38/64/87/1071386487.db2.gz UZSRLDVGXQNKTD-HHJKRLRDSA-N 1 0 492.064 3.948 20 0 JHADRO CCC(CC)[C@H](CNC(=O)Nc1ccc(OCC(=O)OC)c2ccccc12)[NH+]1CCOCC1 ZINC001310433886 1071387467 /nfs/dbraw/zinc/38/74/67/1071387467.db2.gz QGGODFPLLSGELN-QFIPXVFZSA-N 1 0 457.571 3.650 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2ccccc2)C[C@H]1C ZINC001313864677 1071388296 /nfs/dbraw/zinc/38/82/96/1071388296.db2.gz VPOZQORNMKZTCD-UFPGJGBJSA-N 1 0 455.647 3.870 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@@H]2C)C[C@@H]1C ZINC001313865350 1071391963 /nfs/dbraw/zinc/39/19/63/1071391963.db2.gz AGHPXOMDNFCDCL-FKEBYFGASA-N 1 0 455.647 3.663 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001314940699 1071392269 /nfs/dbraw/zinc/39/22/69/1071392269.db2.gz NYEXLUHCTOUMBS-NRFANRHFSA-N 1 0 481.689 3.517 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(CC)(CC)OC)C[C@@H]1C ZINC001313865518 1071393219 /nfs/dbraw/zinc/39/32/19/1071393219.db2.gz DYZSGCOPWGHNEA-SFTDATJTSA-N 1 0 484.693 3.576 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CCn2cc(Cl)cn2)C[C@@H]1C ZINC001313866247 1071395189 /nfs/dbraw/zinc/39/51/89/1071395189.db2.gz FQLWBZJHFFNPNS-PMACEKPBSA-N 1 0 456.038 3.922 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313867269 1071399697 /nfs/dbraw/zinc/39/96/97/1071399697.db2.gz IYFCQEKRTXAJOK-LEWJYISDSA-N 1 0 470.662 3.897 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cccc(COC(C)(C)C)c2)C[C@@H]1C ZINC001313866343 1071395348 /nfs/dbraw/zinc/39/53/48/1071395348.db2.gz FYLJLMOVDQHXCF-LEWJYISDSA-N 1 0 482.673 3.683 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3ncccc3c2)C[C@@H]1C ZINC001313866398 1071395895 /nfs/dbraw/zinc/39/58/95/1071395895.db2.gz ZGWXKWHBRKPKPC-SLFFLAALSA-N 1 0 452.603 3.518 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](OC)C(C)(C)C)C[C@H]1C ZINC001313866663 1071396388 /nfs/dbraw/zinc/39/63/88/1071396388.db2.gz KSCFLVWSSVFONX-FGSXEWAUSA-N 1 0 457.619 3.696 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313867101 1071398416 /nfs/dbraw/zinc/39/84/16/1071398416.db2.gz LFMPDCWYKIXUIY-IXDOHACOSA-N 1 0 478.041 3.826 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC001313867690 1071400897 /nfs/dbraw/zinc/40/08/97/1071400897.db2.gz ADLYYPGFDJEALD-ROUUACIJSA-N 1 0 489.546 3.838 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001313868630 1071405608 /nfs/dbraw/zinc/40/56/08/1071405608.db2.gz VNECOGHANQUKRR-LEWJYISDSA-N 1 0 464.614 3.641 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001313867748 1071401632 /nfs/dbraw/zinc/40/16/32/1071401632.db2.gz AOTCCQMXNBYDTK-IAGOWNOFSA-N 1 0 475.439 3.632 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313868114 1071402294 /nfs/dbraw/zinc/40/22/94/1071402294.db2.gz AQEVXPYMDIFWQE-PMACEKPBSA-N 1 0 451.594 3.824 20 0 JHADRO Cc1c(C(=O)N2CCOCC2)c(NC(=O)N(C)C2CC[NH+](C)CC2)sc1-c1ccccc1 ZINC001310463177 1071405854 /nfs/dbraw/zinc/40/58/54/1071405854.db2.gz WRXXNYMAWCDIIN-UHFFFAOYSA-N 1 0 456.612 3.754 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC001313868447 1071404373 /nfs/dbraw/zinc/40/43/73/1071404373.db2.gz BIQDTVMYLACKFP-PMACEKPBSA-N 1 0 481.645 3.826 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(C)cc2OCCOC)C[C@@H]1C ZINC001313869298 1071408519 /nfs/dbraw/zinc/40/85/19/1071408519.db2.gz CHSAMTYDESMNDV-SFTDATJTSA-N 1 0 464.614 3.641 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313869585 1071409138 /nfs/dbraw/zinc/40/91/38/1071409138.db2.gz QKSNWUMZMDAJHG-QZTJIDSGSA-N 1 0 484.670 3.813 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314948452 1071412180 /nfs/dbraw/zinc/41/21/80/1071412180.db2.gz NUPULCVKNFENEG-KRWDZBQOSA-N 1 0 491.478 3.648 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001313870118 1071412290 /nfs/dbraw/zinc/41/22/90/1071412290.db2.gz FQOAJASBDZBDMJ-XUVXKRRUSA-N 1 0 471.650 3.905 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001313870480 1071413327 /nfs/dbraw/zinc/41/33/27/1071413327.db2.gz SYEURFRRWXXESU-OALUTQOASA-N 1 0 486.462 3.641 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2Cc2ccnc(OC(F)F)c2)C[C@@H]1C ZINC001313870601 1071414293 /nfs/dbraw/zinc/41/42/93/1071414293.db2.gz DZDRHNQFMIVKPV-IRXDYDNUSA-N 1 0 474.531 3.972 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001313870690 1071414928 /nfs/dbraw/zinc/41/49/28/1071414928.db2.gz FQEGXDPRLITCHG-ROUUACIJSA-N 1 0 490.599 3.544 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(C(=O)OC)CC2)C[C@H]1C ZINC001313870686 1071415092 /nfs/dbraw/zinc/41/50/92/1071415092.db2.gz FQEGXDPRLITCHG-MSOLQXFVSA-N 1 0 490.599 3.544 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001314952880 1071423672 /nfs/dbraw/zinc/42/36/72/1071423672.db2.gz URMFDAZQMYIDTR-AEFFLSMTSA-N 1 0 491.478 3.566 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@H]1C ZINC001313873114 1071424771 /nfs/dbraw/zinc/42/47/71/1071424771.db2.gz CFMCOYKEPWNFBR-YRXWBPOGSA-N 1 0 470.584 3.688 20 0 JHADRO Cc1cc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)nn1-c1ccc(Cl)cc1Cl ZINC001310483241 1071425081 /nfs/dbraw/zinc/42/50/81/1071425081.db2.gz RJSUXVCFACDFLF-IBGZPJMESA-N 1 0 453.418 3.881 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001314953681 1071425932 /nfs/dbraw/zinc/42/59/32/1071425932.db2.gz YCUQYWWRZCIXGX-AEFFLSMTSA-N 1 0 491.478 3.566 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001313873918 1071426353 /nfs/dbraw/zinc/42/63/53/1071426353.db2.gz FFWFEHWYMOHEKZ-CFLDLGCGSA-N 1 0 498.455 3.623 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCc2nnc(C)s2)C[C@H]1C ZINC001313874012 1071427214 /nfs/dbraw/zinc/42/72/14/1071427214.db2.gz FTFICUXZJUOMOT-MOPGFXCFSA-N 1 0 469.659 3.795 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001313874036 1071427227 /nfs/dbraw/zinc/42/72/27/1071427227.db2.gz FYQNTZJQDAMGST-MOPGFXCFSA-N 1 0 473.572 3.708 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313874373 1071427763 /nfs/dbraw/zinc/42/77/63/1071427763.db2.gz NQZJEVAQUZBYRH-ACRUOGEOSA-N 1 0 485.677 3.686 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313875122 1071431987 /nfs/dbraw/zinc/43/19/87/1071431987.db2.gz LEGDSODXQUHBHD-ROUUACIJSA-N 1 0 471.005 3.881 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC001313875110 1071432145 /nfs/dbraw/zinc/43/21/45/1071432145.db2.gz LBBUJCZVIYUALH-RBUKOAKNSA-N 1 0 472.037 3.769 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccccc2C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314959607 1071432788 /nfs/dbraw/zinc/43/27/88/1071432788.db2.gz YETFUVULYKNHDG-CTNGQTDRSA-N 1 0 454.663 3.506 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(C)C)nnc2N2CCN(Cc3ccc(OC)c(F)c3)CC2)CC1 ZINC001313875315 1071433006 /nfs/dbraw/zinc/43/30/06/1071433006.db2.gz GCTOMQJWBKQIQO-UHFFFAOYSA-N 1 0 472.653 3.993 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@H]1C ZINC001313875167 1071433082 /nfs/dbraw/zinc/43/30/82/1071433082.db2.gz RBEOVLFJTAIEPG-KGLIPLIRSA-N 1 0 482.942 3.713 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313876487 1071438382 /nfs/dbraw/zinc/43/83/82/1071438382.db2.gz OYEFLJOHPSSVCK-WOJBJXKFSA-N 1 0 482.595 3.969 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2n[nH]c(C)n2)C[C@@H]1C ZINC001313875538 1071435419 /nfs/dbraw/zinc/43/54/19/1071435419.db2.gz MOQXLLBFRFRQFE-VQTJNVASSA-N 1 0 480.661 3.877 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)cc2)C[C@H]1C ZINC001313876965 1071439893 /nfs/dbraw/zinc/43/98/93/1071439893.db2.gz PSSXOEIMWZCARD-MSOLQXFVSA-N 1 0 470.618 3.570 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001313875908 1071436664 /nfs/dbraw/zinc/43/66/64/1071436664.db2.gz GDWFVYRAAHCSFB-LJQANCHMSA-N 1 0 488.608 3.568 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313877319 1071441619 /nfs/dbraw/zinc/44/16/19/1071441619.db2.gz WQBQUKFDRLCDCD-FGZHOGPDSA-N 1 0 452.647 3.965 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001313877542 1071442388 /nfs/dbraw/zinc/44/23/88/1071442388.db2.gz VGEYBWCZUDPYSZ-TZIWHRDSSA-N 1 0 475.609 3.531 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCS(=O)(=O)CC)CC1 ZINC001313877773 1071443185 /nfs/dbraw/zinc/44/31/85/1071443185.db2.gz WCSJHBYMSWJVCC-UHFFFAOYSA-N 1 0 486.057 3.731 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001313878492 1071445305 /nfs/dbraw/zinc/44/53/05/1071445305.db2.gz YPAYYGGUFVHKSE-RZUBCFFCSA-N 1 0 494.606 3.826 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313878863 1071447000 /nfs/dbraw/zinc/44/70/00/1071447000.db2.gz ZHQLTBMQZDLTMI-SJORKVTESA-N 1 0 473.021 3.921 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCNc2ncc(Cl)cc2Cl)C[C@H]1C ZINC001313879079 1071447747 /nfs/dbraw/zinc/44/77/47/1071447747.db2.gz YPUBTLRUVWVOBD-IAGOWNOFSA-N 1 0 489.455 3.997 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314966061 1071448395 /nfs/dbraw/zinc/44/83/95/1071448395.db2.gz YRHSATGOXJELPO-NJYVYQBISA-N 1 0 472.703 3.818 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CC[NH+](CC)CC1 ZINC001313879353 1071449225 /nfs/dbraw/zinc/44/92/25/1071449225.db2.gz AXKRMVMFTWEUMT-QHCPKHFHSA-N 1 0 473.687 3.637 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2Cc2ncccc2C)C[C@H]1C ZINC001313879372 1071449385 /nfs/dbraw/zinc/44/93/85/1071449385.db2.gz ZNPZTPITRRUFFX-WOJBJXKFSA-N 1 0 450.587 3.536 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3CCCCO3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001313879285 1071449530 /nfs/dbraw/zinc/44/95/30/1071449530.db2.gz ACWKWMMZOLMRDB-FCHUYYIVSA-N 1 0 490.693 3.993 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001313879580 1071449881 /nfs/dbraw/zinc/44/98/81/1071449881.db2.gz GJAZBBSZYMKOPM-FGZHOGPDSA-N 1 0 490.693 3.740 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001313879581 1071450075 /nfs/dbraw/zinc/45/00/75/1071450075.db2.gz GJAZBBSZYMKOPM-VXKWHMMOSA-N 1 0 490.693 3.740 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc([C@@H]2CCOC2)n1CCC1CC[NH+](CC)CC1 ZINC001313880249 1071451829 /nfs/dbraw/zinc/45/18/29/1071451829.db2.gz RPUVZUZZAGYHLD-DNQXCXABSA-N 1 0 455.647 3.772 20 0 JHADRO CC[NH+]1CCC(CCn2c(CC(C)(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)CC1 ZINC001313879851 1071451154 /nfs/dbraw/zinc/45/11/54/1071451154.db2.gz LFZCHGGUOMGXDG-UHFFFAOYSA-N 1 0 458.695 3.970 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CCn2cc(C)cn2)C[C@@H]1C ZINC001313878754 1071445965 /nfs/dbraw/zinc/44/59/65/1071445965.db2.gz VIPWJARQTQNKBT-RBUKOAKNSA-N 1 0 458.010 3.635 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3C)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001313880685 1071452527 /nfs/dbraw/zinc/45/25/27/1071452527.db2.gz LGCYWRKJIAJMGR-UHFFFAOYSA-N 1 0 452.647 3.680 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001314967294 1071452736 /nfs/dbraw/zinc/45/27/36/1071452736.db2.gz YIUWYJUBBAUGHP-HFJWLAOPSA-N 1 0 452.647 3.688 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccnc3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001313881040 1071453928 /nfs/dbraw/zinc/45/39/28/1071453928.db2.gz NYXHUBTVHRKFRY-DENIHFKCSA-N 1 0 483.661 3.812 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccn3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001313881114 1071454045 /nfs/dbraw/zinc/45/40/45/1071454045.db2.gz QQTBIGYMIKVASG-HXUWFJFHSA-N 1 0 469.634 3.566 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2ccccc2F)C[C@@H]1C ZINC001313881256 1071454274 /nfs/dbraw/zinc/45/42/74/1071454274.db2.gz BMCVFIOCDZWUFY-QRICJDHISA-N 1 0 459.610 3.693 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3Br)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001313882179 1071457483 /nfs/dbraw/zinc/45/74/83/1071457483.db2.gz XCICRQOUGFLGPW-KRWDZBQOSA-N 1 0 491.478 3.648 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3Cl)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CC1 ZINC001313881576 1071455233 /nfs/dbraw/zinc/45/52/33/1071455233.db2.gz SRFKTLUYDAKRMI-ROUUACIJSA-N 1 0 482.094 3.978 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3Cl)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001313882287 1071457641 /nfs/dbraw/zinc/45/76/41/1071457641.db2.gz ZGVAOPRQPVSNKT-ICSRJNTNSA-N 1 0 462.038 3.961 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001313884043 1071463297 /nfs/dbraw/zinc/46/32/97/1071463297.db2.gz YLXDDROHQFCSTB-UHFFFAOYSA-N 1 0 480.701 3.994 20 0 JHADRO CC[NH+]1CCC(CCn2c(CC3CC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001313884060 1071463431 /nfs/dbraw/zinc/46/34/31/1071463431.db2.gz YRMCDGVDEBGPPG-UHFFFAOYSA-N 1 0 460.667 3.846 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCNC(=O)CC2)CC1 ZINC001313882867 1071459912 /nfs/dbraw/zinc/45/99/12/1071459912.db2.gz NRIMTTPUWUQDOC-UHFFFAOYSA-N 1 0 482.673 3.737 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001313883811 1071462778 /nfs/dbraw/zinc/46/27/78/1071462778.db2.gz JSEAFNJCPCKLHN-HXUWFJFHSA-N 1 0 468.646 3.883 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(C)cc2C)C[C@H]1C ZINC001313885375 1071465792 /nfs/dbraw/zinc/46/57/92/1071465792.db2.gz OTYFHEVEUFRFFU-HTDNTCHWSA-N 1 0 455.647 3.781 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC(OC(C)C)CC2)C1 ZINC001313885357 1071466597 /nfs/dbraw/zinc/46/65/97/1071466597.db2.gz BZMXONVKARZILM-IBGZPJMESA-N 1 0 457.619 3.698 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001313886064 1071468942 /nfs/dbraw/zinc/46/89/42/1071468942.db2.gz LTBFSHRBNPQGQW-JTHBVZDNSA-N 1 0 482.673 3.769 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2Cc2ncnn2C(C)(C)C)C[C@@H]1C ZINC001313886342 1071470857 /nfs/dbraw/zinc/47/08/57/1071470857.db2.gz SBKJBKLZCAURPO-OALUTQOASA-N 1 0 498.701 3.893 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001313886743 1071470908 /nfs/dbraw/zinc/47/09/08/1071470908.db2.gz PVOUYOATWSNTIM-IBGZPJMESA-N 1 0 489.064 3.644 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314978143 1071474852 /nfs/dbraw/zinc/47/48/52/1071474852.db2.gz QCBMHVMQSDWTGO-AJTFRIOCSA-N 1 0 482.673 3.783 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001314977300 1071472010 /nfs/dbraw/zinc/47/20/10/1071472010.db2.gz MZIZCEYTRZCBDR-CUNXSJBXSA-N 1 0 482.673 3.557 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001314977931 1071472518 /nfs/dbraw/zinc/47/25/18/1071472518.db2.gz CKKQBWWDZZIRCK-KMRXNPHXSA-N 1 0 489.668 3.770 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001313887992 1071475151 /nfs/dbraw/zinc/47/51/51/1071475151.db2.gz FMDXNAOWMGUGHS-KRWDZBQOSA-N 1 0 479.456 3.946 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(N(C)Cc3cc(Cl)ccc3OC)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001313889586 1071480627 /nfs/dbraw/zinc/48/06/27/1071480627.db2.gz IKRSVHRNZGQCSB-CLOONOSVSA-N 1 0 492.064 3.959 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2CC(C)(C)OC[C@@H]2C)C1 ZINC001313888274 1071476096 /nfs/dbraw/zinc/47/60/96/1071476096.db2.gz BBQYTOHDEBUEPY-RBUKOAKNSA-N 1 0 459.660 3.925 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC001313888444 1071476696 /nfs/dbraw/zinc/47/66/96/1071476696.db2.gz OLUCKTKNTOOIGM-NRFANRHFSA-N 1 0 475.081 3.673 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC2(O)CCC2)C[C@@H]1C ZINC001313888654 1071478346 /nfs/dbraw/zinc/47/83/46/1071478346.db2.gz XDRLFDONJFIZDI-UFYCRDLUSA-N 1 0 476.666 3.574 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314979490 1071479355 /nfs/dbraw/zinc/47/93/55/1071479355.db2.gz VZTOJLFWXZSDJT-HHHXNRCGSA-N 1 0 482.673 3.558 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)Cc2cnccn2)C1 ZINC001313890211 1071482441 /nfs/dbraw/zinc/48/24/41/1071482441.db2.gz MTWXMWNGHBYBQU-QGZVFWFLSA-N 1 0 470.419 3.784 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@H](OCCOC)C2)C1 ZINC001313891107 1071483822 /nfs/dbraw/zinc/48/38/22/1071483822.db2.gz RJUAEACMCYWJFL-WMZOPIPTSA-N 1 0 468.429 3.835 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001313891534 1071485427 /nfs/dbraw/zinc/48/54/27/1071485427.db2.gz XCNDOWTWTAWIDA-PKOBYXMFSA-N 1 0 477.078 3.623 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313892264 1071486876 /nfs/dbraw/zinc/48/68/76/1071486876.db2.gz CZIMUSCPRPNSKP-SVFBPWRDSA-N 1 0 491.080 3.991 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313892836 1071488621 /nfs/dbraw/zinc/48/86/21/1071488621.db2.gz JCVFTURSRZJFSR-PWRODBHTSA-N 1 0 475.609 3.672 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2csc(Br)c2)C1 ZINC001313893430 1071490122 /nfs/dbraw/zinc/49/01/22/1071490122.db2.gz OBLZTWNKIKUFFN-AWEZNQCLSA-N 1 0 462.421 3.537 20 0 JHADRO CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC[N@@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001313894851 1071495012 /nfs/dbraw/zinc/49/50/12/1071495012.db2.gz XIYCNNRPWYPNSK-RLLQIKCJSA-N 1 0 496.077 3.569 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001313895284 1071496556 /nfs/dbraw/zinc/49/65/56/1071496556.db2.gz ZMUGBGVCEHTOQS-KSEOMHKRSA-N 1 0 488.702 3.695 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@H](COC)C1 ZINC001313895395 1071497073 /nfs/dbraw/zinc/49/70/73/1071497073.db2.gz HVEPCDUDTCYYNM-VQTJNVASSA-N 1 0 457.619 3.700 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001313895404 1071497145 /nfs/dbraw/zinc/49/71/45/1071497145.db2.gz HXVYFGWJPUKXJK-NHCUHLMSSA-N 1 0 492.462 3.824 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313895864 1071498641 /nfs/dbraw/zinc/49/86/41/1071498641.db2.gz LGDNFWWOLLQYAA-NQIIRXRSSA-N 1 0 497.562 3.993 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313897178 1071501837 /nfs/dbraw/zinc/50/18/37/1071501837.db2.gz UYWPLPWIYRFLJC-SFTDATJTSA-N 1 0 485.629 3.615 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001313900126 1071508495 /nfs/dbraw/zinc/50/84/95/1071508495.db2.gz MZYMAGQDWHOWPP-SFTDATJTSA-N 1 0 453.635 3.519 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001313898097 1071504392 /nfs/dbraw/zinc/50/43/92/1071504392.db2.gz NZUVICHGBSRQOL-LEWJYISDSA-N 1 0 491.105 3.924 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)(COC)CC1 ZINC001313898341 1071504968 /nfs/dbraw/zinc/50/49/68/1071504968.db2.gz RATOGFIJBKZVPB-NRFANRHFSA-N 1 0 489.064 3.599 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1 ZINC001313898314 1071505283 /nfs/dbraw/zinc/50/52/83/1071505283.db2.gz QJGMCKJKRIXTBI-PLACYPQZSA-N 1 0 476.666 3.601 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313898784 1071505601 /nfs/dbraw/zinc/50/56/01/1071505601.db2.gz DUDAJBJAPPEKSV-SESVDKBCSA-N 1 0 460.667 3.845 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313898923 1071506369 /nfs/dbraw/zinc/50/63/69/1071506369.db2.gz DOGKZLQLOVAZGL-FNAHDJPLSA-N 1 0 490.693 3.786 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001313899214 1071507923 /nfs/dbraw/zinc/50/79/23/1071507923.db2.gz HBAQPQRSQKISFO-QHCPKHFHSA-N 1 0 497.688 3.832 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001314993152 1071509904 /nfs/dbraw/zinc/50/99/04/1071509904.db2.gz FVPRPTUPXIDBRR-XZOQPEGZSA-N 1 0 482.673 3.557 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CCCCCO ZINC001313900911 1071510239 /nfs/dbraw/zinc/51/02/39/1071510239.db2.gz CYPIIWYCZVFMHT-KRWDZBQOSA-N 1 0 450.425 3.791 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001314994656 1071511502 /nfs/dbraw/zinc/51/15/02/1071511502.db2.gz NNJIKMIGFOUGGO-UKILVPOCSA-N 1 0 496.700 3.947 20 0 JHADRO CCn1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC001313901724 1071512663 /nfs/dbraw/zinc/51/26/63/1071512663.db2.gz BZOWETLVBQVWIO-QFIPXVFZSA-N 1 0 451.619 3.811 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc(OC)cc1 ZINC001313902580 1071513512 /nfs/dbraw/zinc/51/35/12/1071513512.db2.gz GQRTUOBXIVEQSD-IRLDBZIGSA-N 1 0 451.619 3.830 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(F)(F)CC1 ZINC001313902946 1071514267 /nfs/dbraw/zinc/51/42/67/1071514267.db2.gz AOPQZUUPVFMXHV-KSZLIROESA-N 1 0 468.593 3.769 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314996914 1071515116 /nfs/dbraw/zinc/51/51/16/1071515116.db2.gz XUGHTZFGGLDNCL-QFIPXVFZSA-N 1 0 482.673 3.701 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001313904725 1071520020 /nfs/dbraw/zinc/52/00/20/1071520020.db2.gz LGTXXLQDSLVDHV-LEWJYISDSA-N 1 0 457.598 3.815 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001313903859 1071516772 /nfs/dbraw/zinc/51/67/72/1071516772.db2.gz FAYALEIPXHXSJI-FDFHNCONSA-N 1 0 468.646 3.576 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Nc2ccn(C)n2)nnc1-c1cc(OC)ccc1Br ZINC001313904453 1071518113 /nfs/dbraw/zinc/51/81/13/1071518113.db2.gz HZLPTDZOANPMGE-AWEZNQCLSA-N 1 0 460.380 3.678 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001313904704 1071519923 /nfs/dbraw/zinc/51/99/23/1071519923.db2.gz SECLNDSMQQHNRD-LJQANCHMSA-N 1 0 498.569 3.672 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001313906636 1071524744 /nfs/dbraw/zinc/52/47/44/1071524744.db2.gz YDLCODMRUFCQEP-KNQAVFIVSA-N 1 0 459.038 3.778 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001315001633 1071525266 /nfs/dbraw/zinc/52/52/66/1071525266.db2.gz URZUNLXIKZMSPY-AVRWGWEMSA-N 1 0 456.610 3.557 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001315000271 1071521571 /nfs/dbraw/zinc/52/15/71/1071521571.db2.gz XBCQPZVQWZIAII-NHCUHLMSSA-N 1 0 482.673 3.674 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)c1ccccc1 ZINC001313905953 1071522730 /nfs/dbraw/zinc/52/27/30/1071522730.db2.gz WMUCMNBLYPDASE-FPOVZHCZSA-N 1 0 466.655 3.994 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC(C)(C)C1 ZINC001313905797 1071522831 /nfs/dbraw/zinc/52/28/31/1071522831.db2.gz RZCYVHYKTVXBSO-NRFANRHFSA-N 1 0 488.702 3.696 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001313906146 1071523622 /nfs/dbraw/zinc/52/36/22/1071523622.db2.gz TYXVIPFYFCRENT-OAQYLSRUSA-N 1 0 487.645 3.672 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001313907205 1071526399 /nfs/dbraw/zinc/52/63/99/1071526399.db2.gz ACGWHTXNLDYHGH-FQEVSTJZSA-N 1 0 489.064 3.786 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001313907243 1071526810 /nfs/dbraw/zinc/52/68/10/1071526810.db2.gz ZYEJFXLBGNALFA-BWAGFHJFSA-N 1 0 489.064 3.597 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313907242 1071527291 /nfs/dbraw/zinc/52/72/91/1071527291.db2.gz ARLCDNJVNZDIKZ-UZUQRXQVSA-N 1 0 463.001 3.574 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)F)CC1 ZINC001313908812 1071531053 /nfs/dbraw/zinc/53/10/53/1071531053.db2.gz OZVZZJLYFIIYKU-KRWDZBQOSA-N 1 0 470.971 3.999 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313907721 1071528823 /nfs/dbraw/zinc/52/88/23/1071528823.db2.gz ANEZPZDDFUXGLF-QHCPKHFHSA-N 1 0 492.672 3.706 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001313908325 1071529441 /nfs/dbraw/zinc/52/94/41/1071529441.db2.gz ILZUXCCBYUXRSA-QFIPXVFZSA-N 1 0 481.670 3.504 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001313908212 1071529674 /nfs/dbraw/zinc/52/96/74/1071529674.db2.gz BNHVAFKSWUYGAE-QFIPXVFZSA-N 1 0 488.702 3.533 20 0 JHADRO CNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001315003926 1071530467 /nfs/dbraw/zinc/53/04/67/1071530467.db2.gz ZUOQYVJDEVSUNX-UHFFFAOYSA-N 1 0 489.064 3.595 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313909214 1071530754 /nfs/dbraw/zinc/53/07/54/1071530754.db2.gz PUUKKLXTUFLOTN-CPJSRVTESA-N 1 0 457.619 3.842 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCOc1ccccc1C ZINC001313910406 1071535190 /nfs/dbraw/zinc/53/51/90/1071535190.db2.gz XIRFQVSGULESLF-QHCPKHFHSA-N 1 0 465.646 3.838 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001313910452 1071535321 /nfs/dbraw/zinc/53/53/21/1071535321.db2.gz KFZYQBYKGSKZPM-SFHVURJKSA-N 1 0 483.558 3.545 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313910615 1071535823 /nfs/dbraw/zinc/53/58/23/1071535823.db2.gz XLYOQAGSZUAQTJ-FUHWJXTLSA-N 1 0 479.000 3.889 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313910587 1071535971 /nfs/dbraw/zinc/53/59/71/1071535971.db2.gz XCUCBWOOZDRONH-RTWAWAEBSA-N 1 0 456.635 3.710 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313911930 1071538524 /nfs/dbraw/zinc/53/85/24/1071538524.db2.gz STFWQTIFVINMJV-HMXCVIKNSA-N 1 0 469.634 3.564 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313912180 1071539420 /nfs/dbraw/zinc/53/94/20/1071539420.db2.gz MUIRNYBLPMQMCE-NJYVYQBISA-N 1 0 476.666 3.840 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001315020234 1071540108 /nfs/dbraw/zinc/54/01/08/1071540108.db2.gz LSDLTZTZTSNMRU-SFTDATJTSA-N 1 0 482.673 3.674 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001315020459 1071540135 /nfs/dbraw/zinc/54/01/35/1071540135.db2.gz OENVGJDOOQZLIH-UHFFFAOYSA-N 1 0 452.647 3.728 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001315023946 1071545870 /nfs/dbraw/zinc/54/58/70/1071545870.db2.gz BFEUHYOHESGRTA-NRFANRHFSA-N 1 0 466.674 3.652 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001313914340 1071546712 /nfs/dbraw/zinc/54/67/12/1071546712.db2.gz MMPMWHBXUJYOMP-RDGPPVDQSA-N 1 0 459.557 3.655 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001315022271 1071544335 /nfs/dbraw/zinc/54/43/35/1071544335.db2.gz RIZZKMCDSDHMPS-GOSISDBHSA-N 1 0 488.061 3.710 20 0 JHADRO CCN1CCCN(c2nnc(-c3cc(C)nc4ccccc43)n2CC[NH+](C(C)C)C(C)C)CC1=O ZINC001313914610 1071548005 /nfs/dbraw/zinc/54/80/05/1071548005.db2.gz VKWJIRDURCVUCU-UHFFFAOYSA-N 1 0 477.657 3.979 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313914758 1071548791 /nfs/dbraw/zinc/54/87/91/1071548791.db2.gz NPJCIUDDYJAJFN-DPLHUUCSSA-N 1 0 465.708 3.771 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001315027071 1071553339 /nfs/dbraw/zinc/55/33/39/1071553339.db2.gz PBXKLRFLIFKTCV-GOSISDBHSA-N 1 0 477.053 3.690 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001315025154 1071549249 /nfs/dbraw/zinc/54/92/49/1071549249.db2.gz CMTDEULZODXYCL-RUZDIDTESA-N 1 0 480.701 3.926 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313915122 1071550000 /nfs/dbraw/zinc/55/00/00/1071550000.db2.gz PWCXTGJOZNYYOJ-IRLDBZIGSA-N 1 0 484.689 3.847 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313915489 1071550455 /nfs/dbraw/zinc/55/04/55/1071550455.db2.gz SQLKOSIHXKPWRN-KRWDZBQOSA-N 1 0 485.526 3.764 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001315026139 1071550733 /nfs/dbraw/zinc/55/07/33/1071550733.db2.gz HAMQJOQCDWNWMY-IRXDYDNUSA-N 1 0 495.043 3.588 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001313915796 1071551570 /nfs/dbraw/zinc/55/15/70/1071551570.db2.gz SRWFVWIYFOOQGU-WOJBJXKFSA-N 1 0 487.670 3.843 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccccc2Cl)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001315026541 1071551899 /nfs/dbraw/zinc/55/18/99/1071551899.db2.gz GTMDJXSCUUUKDH-OALUTQOASA-N 1 0 461.054 3.929 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cccc(Cl)c2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001315026916 1071552897 /nfs/dbraw/zinc/55/28/97/1071552897.db2.gz XWPSQKJWRMKQQV-UHFFFAOYSA-N 1 0 482.032 3.873 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001313916496 1071552971 /nfs/dbraw/zinc/55/29/71/1071552971.db2.gz YFNORJJHPBNZKD-MJGOQNOKSA-N 1 0 477.078 3.765 20 0 JHADRO CNC(=O)CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[N@H+]1CC=CCC1 ZINC001315031882 1071562236 /nfs/dbraw/zinc/56/22/36/1071562236.db2.gz BHBQVPJFMUFVIX-IBGZPJMESA-N 1 0 475.037 3.523 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315033422 1071564234 /nfs/dbraw/zinc/56/42/34/1071564234.db2.gz RMKANLXFPPPDSD-MRXNPFEDSA-N 1 0 465.017 3.820 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001315033421 1071564386 /nfs/dbraw/zinc/56/43/86/1071564386.db2.gz RMKANLXFPPPDSD-INIZCTEOSA-N 1 0 465.017 3.820 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC2CC(F)C2)CC1 ZINC001313922997 1071566294 /nfs/dbraw/zinc/56/62/94/1071566294.db2.gz ZERPIVXCHZHHQU-HJLBWTBNSA-N 1 0 476.616 3.768 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[N@H+](C)C1CCCC1 ZINC001315037094 1071570304 /nfs/dbraw/zinc/57/03/04/1071570304.db2.gz RPCWQPVNTWELBE-KRWDZBQOSA-N 1 0 458.676 3.578 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313924394 1071570387 /nfs/dbraw/zinc/57/03/87/1071570387.db2.gz DSSWZXGBFSSKLN-RBUKOAKNSA-N 1 0 498.569 3.658 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313924241 1071569597 /nfs/dbraw/zinc/56/95/97/1071569597.db2.gz CYJSVWXWCWBGIK-NRFANRHFSA-N 1 0 467.637 3.864 20 0 JHADRO CNC(=O)CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315038941 1071571787 /nfs/dbraw/zinc/57/17/87/1071571787.db2.gz GDGRHKNMKDTGPO-RXFWQSSRSA-N 1 0 470.662 3.557 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC001313925033 1071572285 /nfs/dbraw/zinc/57/22/85/1071572285.db2.gz LGFHCPBYFVAGDV-QFIPXVFZSA-N 1 0 477.657 3.790 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC(C)C)CC1 ZINC001313925464 1071574063 /nfs/dbraw/zinc/57/40/63/1071574063.db2.gz RBHMLORSCRVZNO-QGZVFWFLSA-N 1 0 481.458 3.965 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313926459 1071576785 /nfs/dbraw/zinc/57/67/85/1071576785.db2.gz CJJDRFISSPYSFX-OFNKIYASSA-N 1 0 490.693 3.600 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001313926657 1071576985 /nfs/dbraw/zinc/57/69/85/1071576985.db2.gz DYGMMHIQORTVBS-GOTSBHOMSA-N 1 0 484.689 3.504 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3cc(OC)c(OC)cc3CC2)CC1 ZINC001313927728 1071581113 /nfs/dbraw/zinc/58/11/13/1071581113.db2.gz JVOJJWFVJXQRRF-OAQYLSRUSA-N 1 0 498.716 3.515 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313927720 1071581135 /nfs/dbraw/zinc/58/11/35/1071581135.db2.gz JUAOKIBDSLSTOO-GGAORHGYSA-N 1 0 461.658 3.914 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001313926873 1071578263 /nfs/dbraw/zinc/57/82/63/1071578263.db2.gz HHXUEZXFOCMSQJ-IBGZPJMESA-N 1 0 485.677 3.825 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313927637 1071580857 /nfs/dbraw/zinc/58/08/57/1071580857.db2.gz JLVJNSNPZRBRBO-DPLHUUCSSA-N 1 0 470.662 3.752 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313927863 1071582125 /nfs/dbraw/zinc/58/21/25/1071582125.db2.gz PKRCZOXRBBYQGN-WBADGQHESA-N 1 0 492.778 3.945 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313929003 1071585026 /nfs/dbraw/zinc/58/50/26/1071585026.db2.gz WZSSOVUIWGVIBK-BXXSPATCSA-N 1 0 492.778 3.801 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313929007 1071585136 /nfs/dbraw/zinc/58/51/36/1071585136.db2.gz RCLRJQOEDRQXCR-SFHVURJKSA-N 1 0 478.657 3.505 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)CC2)CC1 ZINC001313929076 1071585969 /nfs/dbraw/zinc/58/59/69/1071585969.db2.gz XIPQVWIKTLRMJA-QHCPKHFHSA-N 1 0 454.663 3.736 20 0 JHADRO CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001313929176 1071586065 /nfs/dbraw/zinc/58/60/65/1071586065.db2.gz NWDZJNXOHYRVDD-LADGPHEKSA-N 1 0 454.663 3.615 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001315056315 1071581565 /nfs/dbraw/zinc/58/15/65/1071581565.db2.gz LUNWJLVWLIHKHL-NRFANRHFSA-N 1 0 479.629 3.600 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001315074662 1071587075 /nfs/dbraw/zinc/58/70/75/1071587075.db2.gz RKFGVOZSHIJWJF-SVFBPWRDSA-N 1 0 457.619 3.994 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(-c3ccsc3)nc2)C[C@@H]1C ZINC001313929738 1071587278 /nfs/dbraw/zinc/58/72/78/1071587278.db2.gz IRCMTVRUYOJQGR-OALUTQOASA-N 1 0 470.643 3.704 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2sccc2C)C[C@@H]1C ZINC001313929628 1071587473 /nfs/dbraw/zinc/58/74/73/1071587473.db2.gz HWJCMUAOYSFFMC-KRWDZBQOSA-N 1 0 473.046 3.810 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(-c3ccsc3)nc2)C[C@@H]1C ZINC001313929739 1071587520 /nfs/dbraw/zinc/58/75/20/1071587520.db2.gz IRCMTVRUYOJQGR-RBUKOAKNSA-N 1 0 470.643 3.704 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2cccs2)C[C@H]1C ZINC001313930296 1071589577 /nfs/dbraw/zinc/58/95/77/1071589577.db2.gz BJGBRRTZOFPHJY-MRXNPFEDSA-N 1 0 490.580 3.568 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313930751 1071590294 /nfs/dbraw/zinc/59/02/94/1071590294.db2.gz RKLYZGMLAYLFFK-GOSISDBHSA-N 1 0 461.054 3.870 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001315081899 1071590781 /nfs/dbraw/zinc/59/07/81/1071590781.db2.gz YXZTVGOKYJJAQA-CEMLEFRQSA-N 1 0 469.630 3.765 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313931706 1071593487 /nfs/dbraw/zinc/59/34/87/1071593487.db2.gz SKZIWDOBHMKDRL-IRLDBZIGSA-N 1 0 482.673 3.824 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(SC)CCOCC2)C[C@@H]1C ZINC001313931911 1071594031 /nfs/dbraw/zinc/59/40/31/1071594031.db2.gz SWFZXSOZXGLORX-RBUKOAKNSA-N 1 0 477.650 4.000 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313932376 1071595065 /nfs/dbraw/zinc/59/50/65/1071595065.db2.gz VHFOCDZAGNDMCH-NHCUHLMSSA-N 1 0 486.636 3.880 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2=CCCOC2)C[C@H]1C ZINC001313933389 1071597996 /nfs/dbraw/zinc/59/79/96/1071597996.db2.gz LIWCXBQBNLJIKA-OAHLLOKOSA-N 1 0 464.383 3.724 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H]2COCCO2)C[C@H]1C ZINC001313932769 1071596325 /nfs/dbraw/zinc/59/63/25/1071596325.db2.gz XGQMLGMGLKURNQ-SFHLNBCPSA-N 1 0 478.037 3.634 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2CC(C)(C)C2)C[C@@H]1C ZINC001313933687 1071599300 /nfs/dbraw/zinc/59/93/00/1071599300.db2.gz MMFCCAMAQRBOHO-KRWDZBQOSA-N 1 0 457.619 3.938 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)C)nnc3N(C)Cc3cccc(OC)c3)cn2)CC1 ZINC001313934121 1071601162 /nfs/dbraw/zinc/60/11/62/1071601162.db2.gz OSXSGJMCHAOWDD-UHFFFAOYSA-N 1 0 477.657 3.707 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CC=CCO2)C[C@@H]1C ZINC001313934320 1071602398 /nfs/dbraw/zinc/60/23/98/1071602398.db2.gz UCCGHAUZBOJYKM-FUHWJXTLSA-N 1 0 476.419 3.592 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](C)COC)C[C@H]1C ZINC001313935412 1071605519 /nfs/dbraw/zinc/60/55/19/1071605519.db2.gz ZDVBOIQCOWKLHJ-JKSUJKDBSA-N 1 0 466.424 3.529 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(Cl)nc2)C[C@H]1C ZINC001313935578 1071606645 /nfs/dbraw/zinc/60/66/45/1071606645.db2.gz ILUGVIYCCAJBNY-MRXNPFEDSA-N 1 0 456.978 3.589 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(O)(CC)CC)C[C@@H]1C ZINC001313935866 1071607172 /nfs/dbraw/zinc/60/71/72/1071607172.db2.gz JYDVBFTZMZSYLS-INIZCTEOSA-N 1 0 480.451 3.798 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC001313936558 1071608475 /nfs/dbraw/zinc/60/84/75/1071608475.db2.gz GDIPHDQHHVPCSO-JXFKEZNVSA-N 1 0 478.435 3.870 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2CCc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC001313936729 1071609023 /nfs/dbraw/zinc/60/90/23/1071609023.db2.gz IBDOJQZHTFSGDA-SFHVURJKSA-N 1 0 459.635 3.666 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](SC)C(C)(C)C)C[C@H]1C ZINC001313937295 1071610276 /nfs/dbraw/zinc/61/02/76/1071610276.db2.gz LBJTVVIDKUMKEE-CTNGQTDRSA-N 1 0 486.734 3.760 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313937492 1071611342 /nfs/dbraw/zinc/61/13/42/1071611342.db2.gz VIBOHNZSWJHKCO-RBUKOAKNSA-N 1 0 472.634 3.645 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCCCOC)cc2)C[C@H]1C ZINC001313938265 1071612160 /nfs/dbraw/zinc/61/21/60/1071612160.db2.gz YIYOCEJMSNOKAU-LJQANCHMSA-N 1 0 485.032 3.988 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(SC)CC2)C[C@@H]1C ZINC001313938921 1071612784 /nfs/dbraw/zinc/61/27/84/1071612784.db2.gz YJQFCDIWGIMWQA-SFHVURJKSA-N 1 0 478.707 3.819 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313939481 1071613510 /nfs/dbraw/zinc/61/35/10/1071613510.db2.gz BEOABMNIJWZWDD-IRLDBZIGSA-N 1 0 478.607 3.868 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313940348 1071615046 /nfs/dbraw/zinc/61/50/46/1071615046.db2.gz WDLMGMYURSCRHG-MOPGFXCFSA-N 1 0 450.553 3.668 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCc2ccn(C)n2)C[C@H]1C ZINC001313941288 1071616775 /nfs/dbraw/zinc/61/67/75/1071616775.db2.gz TWVQILVNASIHNG-HXUWFJFHSA-N 1 0 486.064 3.758 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C)cc2OCCOC)C[C@H]1C ZINC001313941885 1071618235 /nfs/dbraw/zinc/61/82/35/1071618235.db2.gz YMTNYEJSWOXSJN-HXUWFJFHSA-N 1 0 469.655 3.843 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313942575 1071620744 /nfs/dbraw/zinc/62/07/44/1071620744.db2.gz KDPGHUBCFULOOW-ICSRJNTNSA-N 1 0 469.552 3.972 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCOc2ncccc2F)C[C@H]1C ZINC001313943237 1071621943 /nfs/dbraw/zinc/62/19/43/1071621943.db2.gz QMIBEMIPRWCOJC-HXUWFJFHSA-N 1 0 468.577 3.617 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313942815 1071621386 /nfs/dbraw/zinc/62/13/86/1071621386.db2.gz OHPUYTWJKAXMAV-UXHICEINSA-N 1 0 472.634 3.609 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)C)n3C[C@H](C)Cc3ccc(OC)cc3)C2)CC1 ZINC001313944276 1071624597 /nfs/dbraw/zinc/62/45/97/1071624597.db2.gz ZHIAUWLCDZHEJG-GGAORHGYSA-N 1 0 454.663 3.505 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)CC2)C1=O ZINC001313946769 1071629871 /nfs/dbraw/zinc/62/98/71/1071629871.db2.gz GAARBQUBQVUMEH-NRFANRHFSA-N 1 0 487.718 3.957 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2CC(F)(F)Br)C[C@H]1C ZINC001313946818 1071630450 /nfs/dbraw/zinc/63/04/50/1071630450.db2.gz CNIBCHHOYMNPJC-CYBMUJFWSA-N 1 0 462.314 3.514 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313947100 1071631113 /nfs/dbraw/zinc/63/11/13/1071631113.db2.gz VTYJORMJJNJOJH-INIZCTEOSA-N 1 0 473.394 3.744 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313948588 1071633933 /nfs/dbraw/zinc/63/39/33/1071633933.db2.gz LQDMAZREPGCHPI-NJDAHSKKSA-N 1 0 476.666 3.840 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001313947596 1071632309 /nfs/dbraw/zinc/63/23/09/1071632309.db2.gz IRVSTAHUKPKFGK-INIZCTEOSA-N 1 0 483.444 3.609 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313948589 1071634122 /nfs/dbraw/zinc/63/41/22/1071634122.db2.gz LQDMAZREPGCHPI-PWRODBHTSA-N 1 0 476.666 3.840 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2nccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313950838 1071640006 /nfs/dbraw/zinc/64/00/06/1071640006.db2.gz XQIAQOXXJQSSJV-SFHVURJKSA-N 1 0 489.546 3.747 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001313951031 1071640450 /nfs/dbraw/zinc/64/04/50/1071640450.db2.gz CTROGPHNQMOZGT-JOCHJYFZSA-N 1 0 486.730 3.768 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)c2ccccc2)C[C@H]1C ZINC001313951114 1071640702 /nfs/dbraw/zinc/64/07/02/1071640702.db2.gz ZHLBQBNASWIVMI-YRTUYQHASA-N 1 0 498.672 3.788 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313951654 1071642990 /nfs/dbraw/zinc/64/29/90/1071642990.db2.gz APPULZLDTPQSAQ-SFTDATJTSA-N 1 0 465.621 3.950 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2nccs2)CC1 ZINC001313951746 1071643095 /nfs/dbraw/zinc/64/30/95/1071643095.db2.gz VTYQTBYQXAXFKF-SFHVURJKSA-N 1 0 474.078 3.965 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC([C@@H]4CC4(F)F)CC3)nnc2C(C)(C)C)CC1 ZINC001313952146 1071644408 /nfs/dbraw/zinc/64/44/08/1071644408.db2.gz NQNOVJOLTPLPMU-ICSRJNTNSA-N 1 0 452.638 3.721 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001313952441 1071645792 /nfs/dbraw/zinc/64/57/92/1071645792.db2.gz QEDBXBJZVCWPCD-RJGXRXQPSA-N 1 0 484.689 3.764 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001313952678 1071646625 /nfs/dbraw/zinc/64/66/25/1071646625.db2.gz TWHTVYCRHVWQQC-SJBKTWHCSA-N 1 0 476.616 3.769 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313952900 1071647112 /nfs/dbraw/zinc/64/71/12/1071647112.db2.gz UVVNRCJCNSHZDK-LEWJYISDSA-N 1 0 491.080 3.714 20 0 JHADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001313953341 1071648438 /nfs/dbraw/zinc/64/84/38/1071648438.db2.gz XQIRKLBRZQQOBO-DEOSSOPVSA-N 1 0 454.663 3.867 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3C)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313953682 1071649522 /nfs/dbraw/zinc/64/95/22/1071649522.db2.gz HTWYEAKJRCZNND-UHFFFAOYSA-N 1 0 460.617 3.831 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313954252 1071651203 /nfs/dbraw/zinc/65/12/03/1071651203.db2.gz MNBIMWHTIGEXQH-ONTIZHBOSA-N 1 0 490.643 3.921 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001313953899 1071650064 /nfs/dbraw/zinc/65/00/64/1071650064.db2.gz KSULKIFSWVJWFS-GOTSBHOMSA-N 1 0 468.690 3.920 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313954701 1071652525 /nfs/dbraw/zinc/65/25/25/1071652525.db2.gz CAORXEDJVSZDSA-CUNXSJBXSA-N 1 0 468.690 3.778 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](COC)C2)CC1 ZINC001313956003 1071657356 /nfs/dbraw/zinc/65/73/56/1071657356.db2.gz XAGUZFKSJMOCRK-LEWJYISDSA-N 1 0 475.081 3.735 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cccnc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313955061 1071654097 /nfs/dbraw/zinc/65/40/97/1071654097.db2.gz RVKLTCUROZDRJD-HXUWFJFHSA-N 1 0 465.568 3.537 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cccc(C)n3)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313955029 1071654222 /nfs/dbraw/zinc/65/42/22/1071654222.db2.gz RQITWHGPCPJVTA-OAQYLSRUSA-N 1 0 453.679 3.939 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313955170 1071654816 /nfs/dbraw/zinc/65/48/16/1071654816.db2.gz FVZVQVHKUGHKKN-ZEQRLZLVSA-N 1 0 498.716 3.751 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(CC)(CC)C2)CC1 ZINC001313955406 1071655506 /nfs/dbraw/zinc/65/55/06/1071655506.db2.gz GYEDEJGTXFPCHJ-HXUWFJFHSA-N 1 0 473.735 3.924 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3OC)nnc2N2CCCCCC2)CC1 ZINC001313955653 1071656082 /nfs/dbraw/zinc/65/60/82/1071656082.db2.gz YHNHKFUZOHISDK-UHFFFAOYSA-N 1 0 470.662 3.760 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3OC)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001313955650 1071656273 /nfs/dbraw/zinc/65/62/73/1071656273.db2.gz YBUORHQLZXBPAT-RTWAWAEBSA-N 1 0 472.703 3.702 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001313955928 1071656607 /nfs/dbraw/zinc/65/66/07/1071656607.db2.gz WEKCRGUPQIFGNV-TZIWHRDSSA-N 1 0 494.606 3.711 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)cc3OC)nnc2N(C)C2CCCCC2)CC1 ZINC001313957143 1071659486 /nfs/dbraw/zinc/65/94/86/1071659486.db2.gz DOIGQFIICLIRDG-UHFFFAOYSA-N 1 0 470.662 3.759 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313957263 1071660006 /nfs/dbraw/zinc/66/00/06/1071660006.db2.gz QCJIZCJSYSMEKL-UGKGYDQZSA-N 1 0 484.718 3.672 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3C)CC2)CC1 ZINC001313957282 1071660123 /nfs/dbraw/zinc/66/01/23/1071660123.db2.gz QMCGXUGWEGCSST-HSZRJFAPSA-N 1 0 481.733 3.775 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](CCc3ccccc3)C2)CC1 ZINC001313957530 1071660633 /nfs/dbraw/zinc/66/06/33/1071660633.db2.gz VYELVMCVMIQWFZ-VWLOTQADSA-N 1 0 482.717 3.732 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCC3(CCOCC3)C2)CC1 ZINC001313957589 1071660647 /nfs/dbraw/zinc/66/06/47/1071660647.db2.gz QPMRSQOGTZYOHK-QFIPXVFZSA-N 1 0 460.711 3.537 20 0 JHADRO CCn1nc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H](C)[NH+]2CCC(C)CC2)c2ccccc2c1=O ZINC001313959947 1071668778 /nfs/dbraw/zinc/66/87/78/1071668778.db2.gz CUSJTZKZMDQFIK-KRWDZBQOSA-N 1 0 491.562 3.794 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313960656 1071670472 /nfs/dbraw/zinc/67/04/72/1071670472.db2.gz MZLNGBGBADWYIN-LEWJYISDSA-N 1 0 488.652 3.589 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313961294 1071672181 /nfs/dbraw/zinc/67/21/81/1071672181.db2.gz QOWGVLZLJHUEQG-UHFFFAOYSA-N 1 0 491.453 3.525 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(OC)c3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313961217 1071672339 /nfs/dbraw/zinc/67/23/39/1071672339.db2.gz RMQGQPDZTWVQQL-HSZRJFAPSA-N 1 0 472.703 3.559 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(OC)c3)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001313961557 1071673305 /nfs/dbraw/zinc/67/33/05/1071673305.db2.gz VEIFNUNQHHEMFE-QFIPXVFZSA-N 1 0 452.647 3.774 20 0 JHADRO CCNC(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CCC1 ZINC001313975339 1071705464 /nfs/dbraw/zinc/70/54/64/1071705464.db2.gz PIMVGFXIMPFKGC-QZTJIDSGSA-N 1 0 459.038 3.824 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313976673 1071709089 /nfs/dbraw/zinc/70/90/89/1071709089.db2.gz HPJJVTBTCOFHEO-MDNUFGMLSA-N 1 0 482.673 3.781 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(CC(C)C)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC001313981800 1071718497 /nfs/dbraw/zinc/71/84/97/1071718497.db2.gz INFLNAWLQPHZHU-QFIPXVFZSA-N 1 0 452.647 3.587 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001313988014 1071725280 /nfs/dbraw/zinc/72/52/80/1071725280.db2.gz WKIGXNXQDKJUMA-UHFFFAOYSA-N 1 0 475.641 3.757 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001313994566 1071730081 /nfs/dbraw/zinc/73/00/81/1071730081.db2.gz QBOLQBUKCQSHIW-QFIPXVFZSA-N 1 0 467.662 3.578 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H](C)[NH+](C)C)CC1 ZINC001313993421 1071727325 /nfs/dbraw/zinc/72/73/25/1071727325.db2.gz JXSCQKKMFVNCOB-HNNXBMFYSA-N 1 0 476.050 3.615 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001314000194 1071737298 /nfs/dbraw/zinc/73/72/98/1071737298.db2.gz XLGQVQLJFAKTBA-HSZRJFAPSA-N 1 0 495.697 3.669 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccnc3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001314013914 1071752605 /nfs/dbraw/zinc/75/26/05/1071752605.db2.gz LNOOPKYXVKVRPM-UHFFFAOYSA-N 1 0 457.623 3.516 20 0 JHADRO 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CCc1nnc(N(C)Cc2ccc(OC)c(OC)c2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001306078948 1068509907 /nfs/dbraw/zinc/50/99/07/1068509907.db2.gz HDPABSHLSBHGRD-UHFFFAOYSA-N 1 0 471.646 3.777 20 0 JHADRO CCc1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001306079474 1068510113 /nfs/dbraw/zinc/51/01/13/1068510113.db2.gz OCHBQCBNEQHBKI-MGBGTMOVSA-N 1 0 473.687 3.638 20 0 JHADRO CCc1nnc(N(C)Cc2cccc(OC(F)F)c2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306079316 1068510359 /nfs/dbraw/zinc/51/03/59/1068510359.db2.gz OUVUFPPEVIMUKQ-CALCHBBNSA-N 1 0 451.562 3.966 20 0 JHADRO CCc1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CCC(=O)NC1CCCCC1 ZINC001306088750 1068514497 /nfs/dbraw/zinc/51/44/97/1068514497.db2.gz CKNICJONJVFGKU-JOCHJYFZSA-N 1 0 452.647 3.638 20 0 JHADRO CCc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1CCC[NH+]1CCCCC1 ZINC001306102156 1068519168 /nfs/dbraw/zinc/51/91/68/1068519168.db2.gz QHWNVVDKNCIFJK-UHFFFAOYSA-N 1 0 468.415 3.617 20 0 JHADRO CCc1nnc(N2C[C@@H](C)C[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)n1CC[N@H+](C)CCOC ZINC001306107231 1068520479 /nfs/dbraw/zinc/52/04/79/1068520479.db2.gz COIWIGVSDQEJPU-WNSKOXEYSA-N 1 0 494.999 3.515 20 0 JHADRO CCc1nnc(N2C[C@H](C)C[C@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)n1CC[N@H+](C)CCOC ZINC001306107229 1068520548 /nfs/dbraw/zinc/52/05/48/1068520548.db2.gz COIWIGVSDQEJPU-IQMFZBJNSA-N 1 0 494.999 3.515 20 0 JHADRO CCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001306114251 1068523099 /nfs/dbraw/zinc/52/30/99/1068523099.db2.gz YCGNJOXMTNOSJL-VDGAXYAQSA-N 1 0 467.536 3.842 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001306118444 1068525654 /nfs/dbraw/zinc/52/56/54/1068525654.db2.gz SSTZBWNVQSAGHW-CVDCTZTESA-N 1 0 470.637 3.757 20 0 JHADRO CCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001306118483 1068525771 /nfs/dbraw/zinc/52/57/71/1068525771.db2.gz ILZOWPCBIXQFLV-HXUWFJFHSA-N 1 0 453.635 3.519 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306120003 1068528410 /nfs/dbraw/zinc/52/84/10/1068528410.db2.gz LUVAFUQCOLYFOV-YADHBBJMSA-N 1 0 466.674 3.802 20 0 JHADRO CCc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001306121387 1068530091 /nfs/dbraw/zinc/53/00/91/1068530091.db2.gz JYLOMMVAYFJBPL-WIYYLYMNSA-N 1 0 457.516 3.812 20 0 JHADRO CCc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001306130685 1068533933 /nfs/dbraw/zinc/53/39/33/1068533933.db2.gz FORWCDDNUCEGNF-JOCHJYFZSA-N 1 0 456.610 3.511 20 0 JHADRO CCc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001306130900 1068534445 /nfs/dbraw/zinc/53/44/45/1068534445.db2.gz GWQIGZXJXVNPRL-XMMPIXPASA-N 1 0 466.674 3.838 20 0 JHADRO CCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001306135171 1068538064 /nfs/dbraw/zinc/53/80/64/1068538064.db2.gz RGFSBDBEIJMUJY-VWNXMTODSA-N 1 0 460.711 3.678 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001306142165 1068543697 /nfs/dbraw/zinc/54/36/97/1068543697.db2.gz NDRXPFVRJVZVFO-UHFFFAOYSA-N 1 0 456.635 3.714 20 0 JHADRO CCc1nnc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001306143429 1068545351 /nfs/dbraw/zinc/54/53/51/1068545351.db2.gz IQCOGPVUWLSMSP-GOSISDBHSA-N 1 0 485.530 3.654 20 0 JHADRO CCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001306146715 1068549487 /nfs/dbraw/zinc/54/94/87/1068549487.db2.gz WTZCHCAFOJEECK-QHCPKHFHSA-N 1 0 470.662 3.729 20 0 JHADRO CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC001306150977 1068552437 /nfs/dbraw/zinc/55/24/37/1068552437.db2.gz BZJNFHZOCDKGLR-DEOSSOPVSA-N 1 0 459.656 3.914 20 0 JHADRO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001306157092 1068555334 /nfs/dbraw/zinc/55/53/34/1068555334.db2.gz MYCXMTBGVAWGAY-VQTJNVASSA-N 1 0 453.635 3.519 20 0 JHADRO CCc1nnc(N2CCc3cc(OC)c(OC)c(OC)c3CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001306158846 1068556323 /nfs/dbraw/zinc/55/63/23/1068556323.db2.gz YRSOFYVCJKTBHC-HXUWFJFHSA-N 1 0 485.654 3.836 20 0 JHADRO CCc1nnc(N2CCc3cc(OC)c(OC)c(OC)c3CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001306158845 1068556409 /nfs/dbraw/zinc/55/64/09/1068556409.db2.gz YRSOFYVCJKTBHC-FQEVSTJZSA-N 1 0 485.654 3.836 20 0 JHADRO CCc1nnc(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001306165804 1068561733 /nfs/dbraw/zinc/56/17/33/1068561733.db2.gz KKEOGTHXNBBYLS-SFTDATJTSA-N 1 0 455.651 3.917 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001306166907 1068562643 /nfs/dbraw/zinc/56/26/43/1068562643.db2.gz XLFUJXAPWDEROB-IBGZPJMESA-N 1 0 484.636 3.949 20 0 JHADRO CCc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001306169114 1068564725 /nfs/dbraw/zinc/56/47/25/1068564725.db2.gz DTKRJDDQLONNGL-NRFANRHFSA-N 1 0 486.661 3.713 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001306178925 1068568455 /nfs/dbraw/zinc/56/84/55/1068568455.db2.gz FZGPFOFXYUQAIT-QFIPXVFZSA-N 1 0 456.610 3.597 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306183627 1068574324 /nfs/dbraw/zinc/57/43/24/1068574324.db2.gz HJFMMEKOLUNHAO-KDURUIRLSA-N 1 0 491.055 3.963 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306187181 1068578519 /nfs/dbraw/zinc/57/85/19/1068578519.db2.gz BTHUGADWWOSPQG-OAQYLSRUSA-N 1 0 468.646 3.810 20 0 JHADRO CCc1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001306187612 1068578966 /nfs/dbraw/zinc/57/89/66/1068578966.db2.gz PLKKPTOMBQGLCR-OAQYLSRUSA-N 1 0 473.691 3.713 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001306188582 1068580723 /nfs/dbraw/zinc/58/07/23/1068580723.db2.gz IYRREBSMZLDLEG-IFMALSPDSA-N 1 0 468.646 3.951 20 0 JHADRO CCc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1Cc1ccccc1C[NH+](CC)CC ZINC001306196346 1068588216 /nfs/dbraw/zinc/58/82/16/1068588216.db2.gz CSFUUPKQJJKEID-UHFFFAOYSA-N 1 0 451.594 3.591 20 0 JHADRO CCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCc1ccc(OC)c(Br)c1 ZINC001306200903 1068592461 /nfs/dbraw/zinc/59/24/61/1068592461.db2.gz QXTKKVLCORIBBO-UHFFFAOYSA-N 1 0 462.436 3.919 20 0 JHADRO CCc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001306204056 1068594379 /nfs/dbraw/zinc/59/43/79/1068594379.db2.gz INPANDRLVOZOPF-HSZRJFAPSA-N 1 0 495.697 3.582 20 0 JHADRO CCc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001306210037 1068600656 /nfs/dbraw/zinc/60/06/56/1068600656.db2.gz QOSXYCZRJDPXJJ-QFIPXVFZSA-N 1 0 460.617 3.920 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3cnn(CC)c3)C2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001306219075 1068606684 /nfs/dbraw/zinc/60/66/84/1068606684.db2.gz NMQIAZAWQDLYHR-RTWAWAEBSA-N 1 0 457.648 3.779 20 0 JHADRO CCc1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001306221950 1068609007 /nfs/dbraw/zinc/60/90/07/1068609007.db2.gz YYFSQCPGTPKQCA-DYESRHJHSA-N 1 0 466.001 3.712 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001306221954 1068609569 /nfs/dbraw/zinc/60/95/69/1068609569.db2.gz YYFSQCPGTPKQCA-UTKZUKDTSA-N 1 0 466.001 3.712 20 0 JHADRO CCc1nnc(N2CCO[C@@H](Cn3nc(C)cc3C)C2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001306223012 1068610252 /nfs/dbraw/zinc/61/02/52/1068610252.db2.gz QVNXUIDCVFXQTL-DNQXCXABSA-N 1 0 465.646 3.642 20 0 JHADRO CCc1nsc(N2CCCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCC[N@H+]3CC)CC2)n1 ZINC001306240540 1068640222 /nfs/dbraw/zinc/64/02/22/1068640222.db2.gz GFLZCNMDXKTJQL-LJQANCHMSA-N 1 0 474.723 3.872 20 0 JHADRO CCc1nsc(N2CCN(c3nnc(-c4cccnc4)n3CCC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001306240621 1068640836 /nfs/dbraw/zinc/64/08/36/1068640836.db2.gz RILWDYMGNMZYPJ-UHFFFAOYSA-N 1 0 483.690 3.590 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001306245539 1068651671 /nfs/dbraw/zinc/65/16/71/1068651671.db2.gz IVRAEDYQQRISHM-FCHUYYIVSA-N 1 0 452.647 3.832 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)C[NH+](C)C ZINC001306246647 1068654644 /nfs/dbraw/zinc/65/46/44/1068654644.db2.gz UZBGNLHHOFTQRS-ICSRJNTNSA-N 1 0 491.080 3.991 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001306248525 1068658160 /nfs/dbraw/zinc/65/81/60/1068658160.db2.gz UVIMNFNXFLBKKP-LJQANCHMSA-N 1 0 489.462 3.687 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(CC2CCCC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001306253857 1068661654 /nfs/dbraw/zinc/66/16/54/1068661654.db2.gz GYINUYXJDZLUFK-DENIHFKCSA-N 1 0 452.647 3.855 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2C)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306254297 1068662319 /nfs/dbraw/zinc/66/23/19/1068662319.db2.gz IQBOESHGKPWLII-PQNGQFLHSA-N 1 0 466.674 3.650 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)cc2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306259961 1068668145 /nfs/dbraw/zinc/66/81/45/1068668145.db2.gz IROYNTZUOTYWKY-AOHZBQACSA-N 1 0 482.673 3.638 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001306259838 1068668180 /nfs/dbraw/zinc/66/81/80/1068668180.db2.gz MOHIRFOVFJJCNC-PTUXOGIPSA-N 1 0 468.646 3.887 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001306263133 1068675229 /nfs/dbraw/zinc/67/52/29/1068675229.db2.gz WFCLOKQCKJITRB-PRTQVNTJSA-N 1 0 488.702 3.659 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001306274350 1068687535 /nfs/dbraw/zinc/68/75/35/1068687535.db2.gz FLGKVWQEFPFUTH-KIFXHHALSA-N 1 0 455.647 3.946 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccccc2OC)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001306279751 1068694827 /nfs/dbraw/zinc/69/48/27/1068694827.db2.gz POFXKJXULQBMPH-YPAWHYETSA-N 1 0 470.662 3.517 20 0 JHADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001306297089 1068714798 /nfs/dbraw/zinc/71/47/98/1068714798.db2.gz MSWHBNXUZJBXKR-NYUJMHJJSA-N 1 0 455.647 3.846 20 0 JHADRO CC[C@H]1C[C@@H](C)CN1c1nnc(CCc2ccccc2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001306303300 1068719968 /nfs/dbraw/zinc/71/99/68/1068719968.db2.gz YIUGQKUFBIKDKV-RDGATRHJSA-N 1 0 452.691 3.962 20 0 JHADRO CC[C@@H]1CCC[C@@H]1Cn1c(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001306315445 1068734763 /nfs/dbraw/zinc/73/47/63/1068734763.db2.gz POAZPIOPAIKTQN-ADHNFCLRSA-N 1 0 458.695 3.781 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCOC(C)(C)C ZINC001306315933 1068735232 /nfs/dbraw/zinc/73/52/32/1068735232.db2.gz BPPNYZAWZQOCRQ-NRFANRHFSA-N 1 0 491.702 3.864 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H](C)OCCOC)nnc1N1CCc2ccc(F)cc2C1 ZINC001306316059 1068735620 /nfs/dbraw/zinc/73/56/20/1068735620.db2.gz CXRDISVREWBPCW-CVDCTZTESA-N 1 0 459.610 3.968 20 0 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CCC[C@H](C)C(=O)NCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001306545437 1069200441 /nfs/dbraw/zinc/20/04/41/1069200441.db2.gz JKJPSUIZUDQKLU-FQEVSTJZSA-N 1 0 497.688 3.620 20 0 JHADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C ZINC001310868828 1069200712 /nfs/dbraw/zinc/20/07/12/1069200712.db2.gz FMBNVDRMVBGDHS-NRFANRHFSA-N 1 0 458.628 3.621 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001306546202 1069203038 /nfs/dbraw/zinc/20/30/38/1069203038.db2.gz AQQFIRFGHDWJDM-HBMCJLEFSA-N 1 0 477.657 3.965 20 0 JHADRO COC(=O)[C@@H]1CCc2sc(NC(=O)NCC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)nc2C1 ZINC001310903310 1069216474 /nfs/dbraw/zinc/21/64/74/1069216474.db2.gz YDHRZMVYYQJRDX-QXAKKESOSA-N 1 0 456.612 3.843 20 0 JHADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC001310920693 1069222062 /nfs/dbraw/zinc/22/20/62/1069222062.db2.gz ODDQQQMHOAKRNI-OAQYLSRUSA-N 1 0 451.658 3.696 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001306556564 1069224710 /nfs/dbraw/zinc/22/47/10/1069224710.db2.gz TWKXTXIZQRUPDV-UPVQGACJSA-N 1 0 482.673 3.678 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001306556843 1069225874 /nfs/dbraw/zinc/22/58/74/1069225874.db2.gz AGFACWBSWKPFHV-ZHRRBRCNSA-N 1 0 464.452 3.955 20 0 JHADRO COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1cnn(CC[NH+](C)C)c1)CC2 ZINC001310934481 1069226442 /nfs/dbraw/zinc/22/64/42/1069226442.db2.gz XNOOFANGNLWKJE-JOCHJYFZSA-N 1 0 455.584 3.703 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001310938166 1069227965 /nfs/dbraw/zinc/22/79/65/1069227965.db2.gz PODZPRHVGJEWOT-FUHWJXTLSA-N 1 0 458.525 3.606 20 0 JHADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001310939028 1069228611 /nfs/dbraw/zinc/22/86/11/1069228611.db2.gz TVHNZVXGQXRFBJ-NJAFHUGGSA-N 1 0 458.525 3.794 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[NH+]1CCCCCC1 ZINC001306561764 1069231106 /nfs/dbraw/zinc/23/11/06/1069231106.db2.gz JLLFLKVGLXOPJW-FQEVSTJZSA-N 1 0 475.707 3.987 20 0 JHADRO CC(C)C[C@@H](CNC(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1)[NH2+][C@H](C)c1ccccc1 ZINC001306561523 1069231173 /nfs/dbraw/zinc/23/11/73/1069231173.db2.gz SBQNSWMEKMFYMZ-NQIIRXRSSA-N 1 0 455.603 3.997 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001306565937 1069233534 /nfs/dbraw/zinc/23/35/34/1069233534.db2.gz GFOUKAOFXSHGAA-VBKZILBWSA-N 1 0 454.388 3.538 20 0 JHADRO COCc1ccc(NC(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C(F)(F)F ZINC001310972898 1069237137 /nfs/dbraw/zinc/23/71/37/1069237137.db2.gz UOOVFJYNZKYMAZ-UHFFFAOYSA-N 1 0 450.505 3.968 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001306569998 1069237223 /nfs/dbraw/zinc/23/72/23/1069237223.db2.gz VVQSQAFUWFGFBS-CJFMBICVSA-N 1 0 456.635 3.907 20 0 JHADRO COC(=O)C[C@](C)(NC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1)c1cccnc1 ZINC001310981356 1069239111 /nfs/dbraw/zinc/23/91/11/1069239111.db2.gz GUJRHWLHXZOYTB-QHCPKHFHSA-N 1 0 453.568 3.886 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[NH+]1CCCC1 ZINC001306573322 1069240632 /nfs/dbraw/zinc/24/06/32/1069240632.db2.gz YCKWDZRBEGNHKS-IBGZPJMESA-N 1 0 451.619 3.957 20 0 JHADRO CCS(=O)(=O)N(C)c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)cc1 ZINC001311009712 1069247212 /nfs/dbraw/zinc/24/72/12/1069247212.db2.gz GUJODUKRBICHAS-HSZRJFAPSA-N 1 0 458.628 3.847 20 0 JHADRO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C3CCC3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306583433 1069247516 /nfs/dbraw/zinc/24/75/16/1069247516.db2.gz AFYITXWWVGFSFR-TZIWHRDSSA-N 1 0 476.735 3.894 20 0 JHADRO C[C@@H](CNC(=O)Nc1csc(-c2ccc(Br)cc2)n1)C[NH+]1CCN(C)CC1 ZINC001311040569 1069255712 /nfs/dbraw/zinc/25/57/12/1069255712.db2.gz NNEXMHIAXUOKLC-AWEZNQCLSA-N 1 0 452.422 3.578 20 0 JHADRO C[NH+](C)Cc1ccnc(NC(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c1 ZINC001311076760 1069265556 /nfs/dbraw/zinc/26/55/56/1069265556.db2.gz CUCNJXUYYUVYPC-UHFFFAOYSA-N 1 0 454.575 3.756 20 0 JHADRO CCN1c2ccc(NC(=O)NC[C@@H](c3cccc(OC)c3)[NH+](C)C)cc2OCC(C)(C)C1=O ZINC001311079443 1069266038 /nfs/dbraw/zinc/26/60/38/1069266038.db2.gz AYJJXEIZEAVQKC-NRFANRHFSA-N 1 0 454.571 3.891 20 0 JHADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)c1 ZINC001311089212 1069269602 /nfs/dbraw/zinc/26/96/02/1069269602.db2.gz BKWOIXIWHHYFPH-UHFFFAOYSA-N 1 0 453.437 3.797 20 0 JHADRO CCCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001306598201 1069274059 /nfs/dbraw/zinc/27/40/59/1069274059.db2.gz DDTAHKOWLRGGQW-VQTJNVASSA-N 1 0 488.702 3.695 20 0 JHADRO CCOC(=O)c1csc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1C(=O)OCC ZINC001311112762 1069276730 /nfs/dbraw/zinc/27/67/30/1069276730.db2.gz RWCSTUBLRZESGE-UHFFFAOYSA-N 1 0 453.586 3.759 20 0 JHADRO CN(C[C@@H]1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1)C(=O)OC(C)(C)C ZINC001311164137 1069287051 /nfs/dbraw/zinc/28/70/51/1069287051.db2.gz UVJZDJNKOPKOBN-UGKGYDQZSA-N 1 0 457.619 3.692 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001306615578 1069296114 /nfs/dbraw/zinc/29/61/14/1069296114.db2.gz AROPMSLSFOUGOC-RXVVDRJESA-N 1 0 479.572 3.520 20 0 JHADRO CCC[C@H]1CN(c2nnc(C)n2CCc2coc(-c3ccc(C)cc3)n2)CC[N@@H+]1CCOC ZINC001306618417 1069300693 /nfs/dbraw/zinc/30/06/93/1069300693.db2.gz VYJBLWPYOUHWSU-QHCPKHFHSA-N 1 0 452.603 3.730 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC[N@@H+]1CCOC ZINC001306618969 1069302943 /nfs/dbraw/zinc/30/29/43/1069302943.db2.gz HRAJFSYHDBBPHP-ATEJDMMGSA-N 1 0 499.700 3.720 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001306619823 1069304877 /nfs/dbraw/zinc/30/48/77/1069304877.db2.gz BVRMZIFNPIBILQ-IPMKNSEASA-N 1 0 481.567 3.966 20 0 JHADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164387948 718814201 /nfs/dbraw/zinc/81/42/01/718814201.db2.gz KMQPPJUQPQEVEX-OAHLLOKOSA-N 1 0 468.854 3.753 20 0 JHADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)n2)CC1 ZINC001164401353 718853600 /nfs/dbraw/zinc/85/36/00/718853600.db2.gz BDIKOHHJFKURNK-XDHUDOTRSA-N 1 0 469.680 3.670 20 0 JHADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413225 718880134 /nfs/dbraw/zinc/88/01/34/718880134.db2.gz DVOAFRKALUUNBN-CYBMUJFWSA-N 1 0 468.854 3.895 20 0 JHADRO COc1cccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)cnc2Cl)c1 ZINC001164423192 718919965 /nfs/dbraw/zinc/91/99/65/718919965.db2.gz FKHNJXUUUFHDPC-NRFANRHFSA-N 1 0 453.917 3.541 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164620659 719009850 /nfs/dbraw/zinc/00/98/50/719009850.db2.gz ZDQIIIDABYREAX-HXOBKFHXSA-N 1 0 491.970 3.886 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)C2 ZINC001164614762 719010116 /nfs/dbraw/zinc/01/01/16/719010116.db2.gz GLAPNRZIXFJSPE-VFNWGFHPSA-N 1 0 452.933 3.911 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164614931 719010218 /nfs/dbraw/zinc/01/02/18/719010218.db2.gz GXUYAUKCWSUWBN-BFUOFWGJSA-N 1 0 463.356 3.564 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc3c1CCC3)C2 ZINC001164618896 719011725 /nfs/dbraw/zinc/01/17/25/719011725.db2.gz UMLNLRJPZUQBIS-XMSQKQJNSA-N 1 0 453.961 3.918 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc3c1CCC3)C2 ZINC001164618893 719011980 /nfs/dbraw/zinc/01/19/80/719011980.db2.gz UMLNLRJPZUQBIS-GCJKJVERSA-N 1 0 453.961 3.918 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)CC2)CC1 ZINC001164614305 719023995 /nfs/dbraw/zinc/02/39/95/719023995.db2.gz RAEGVPIWMJKAIO-UHFFFAOYSA-N 1 0 484.044 3.890 20 0 JHADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC([NH+]4CCC(C(=O)OCC)CC4)CC3)c2c1 ZINC001164618486 719031034 /nfs/dbraw/zinc/03/10/34/719031034.db2.gz XKWKHRCPERIKIU-UHFFFAOYSA-N 1 0 474.989 3.704 20 0 JHADRO CCOC(=O)c1cnc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164618226 719056431 /nfs/dbraw/zinc/05/64/31/719056431.db2.gz AFNDANMGQHQQGT-AEFFLSMTSA-N 1 0 450.917 3.952 20 0 JHADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164620494 719063788 /nfs/dbraw/zinc/06/37/88/719063788.db2.gz FLOLQTDZSNSKPU-RTBURBONSA-N 1 0 463.960 3.612 20 0 JHADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)[C@H]3C2)cc1 ZINC001164629445 719098082 /nfs/dbraw/zinc/09/80/82/719098082.db2.gz SCATZNVGPKMOOQ-RSXGOPAZSA-N 1 0 454.622 3.904 20 0 JHADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)[C@@H]3C2)cc1 ZINC001164629442 719098129 /nfs/dbraw/zinc/09/81/29/719098129.db2.gz SCATZNVGPKMOOQ-AOYPEHQESA-N 1 0 454.622 3.904 20 0 JHADRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(CN2CCC(C)CC2)nc2scc(-c3cccs3)c21 ZINC001164631784 719136485 /nfs/dbraw/zinc/13/64/85/719136485.db2.gz ONHNRSJCDSHBIR-QGZVFWFLSA-N 1 0 471.652 3.603 20 0 JHADRO Cc1sc2nc(CN3CCCC3)nc(N(c3ncnc4c3CC[NH2+]CC4)C(C)C)c2c1C ZINC001164660408 719344947 /nfs/dbraw/zinc/34/49/47/719344947.db2.gz HOLDHTZXAZYQHJ-UHFFFAOYSA-N 1 0 451.644 3.929 20 0 JHADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164658547 719352265 /nfs/dbraw/zinc/35/22/65/719352265.db2.gz ISSVCASHIOAQOY-UHFFFAOYSA-N 1 0 458.610 3.613 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2ccnc(N(C)C)n2)C3)nc1 ZINC001164665372 719357825 /nfs/dbraw/zinc/35/78/25/719357825.db2.gz VPAOUDUMWFEKOT-HOFKKMOUSA-N 1 0 479.673 3.608 20 0 JHADRO CC(C)N(C)Cc1nn(-c2cc(C(=O)Nc3ccc(Cl)nc3)ccc2F)c2c1CC[NH2+]C2 ZINC001164681623 719623385 /nfs/dbraw/zinc/62/33/85/719623385.db2.gz JOGOLLCHEBIBBZ-UHFFFAOYSA-N 1 0 456.953 3.798 20 0 JHADRO CCOC(=O)/C=C\c1cccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164682947 719658385 /nfs/dbraw/zinc/65/83/85/719658385.db2.gz UEQWVGPECOWWFY-GBJNBNQZSA-N 1 0 490.648 3.751 20 0 JHADRO CCc1ncnc(Cl)c1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680212 719659135 /nfs/dbraw/zinc/65/91/35/719659135.db2.gz DGQFXNAFBUIHAT-GOSISDBHSA-N 1 0 456.034 3.786 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4c3CCC4)CC2)c2ccccc21 ZINC001164684569 719659422 /nfs/dbraw/zinc/65/94/22/719659422.db2.gz YBOIWPWLAHCGJP-GOSISDBHSA-N 1 0 468.045 3.712 20 0 JHADRO Cn1ccc2c1nc(Cl)nc2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680730 719664844 /nfs/dbraw/zinc/66/48/44/719664844.db2.gz IHSCCJAKZDBDFN-GOSISDBHSA-N 1 0 481.044 3.715 20 0 JHADRO CC(C)Oc1cccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686839 719670916 /nfs/dbraw/zinc/67/09/16/719670916.db2.gz XMPXNMOLZQUMJY-OAQYLSRUSA-N 1 0 450.627 3.962 20 0 JHADRO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681105 719675701 /nfs/dbraw/zinc/67/57/01/719675701.db2.gz JMPBHYAVOVIAAX-ZUTVHTERSA-N 1 0 490.648 3.670 20 0 JHADRO C=Cc1nc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1OC ZINC001164686905 719676458 /nfs/dbraw/zinc/67/64/58/719676458.db2.gz YWTOBJAGPSHNNK-SFHVURJKSA-N 1 0 484.044 3.875 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(-c4ccncc4)nn3)CC2)c2ccccc21 ZINC001164681562 719679439 /nfs/dbraw/zinc/67/94/39/719679439.db2.gz MVBCPZQONXDLMP-JOCHJYFZSA-N 1 0 470.621 3.632 20 0 JHADRO C[C@@H]1CCc2nnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)cc2C1 ZINC001164686623 719682032 /nfs/dbraw/zinc/68/20/32/719682032.db2.gz PDGJUGPKIHJTRF-IRLDBZIGSA-N 1 0 461.654 3.695 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164692150 719758684 /nfs/dbraw/zinc/75/86/84/719758684.db2.gz SEYJTGRXHDITJT-UHFFFAOYSA-N 1 0 467.923 3.662 20 0 JHADRO CC(=O)Oc1cc2ncnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2cc1OC(C)=O ZINC001164691740 719811723 /nfs/dbraw/zinc/81/17/23/719811723.db2.gz KJKOGDRKRANFID-UHFFFAOYSA-N 1 0 495.605 3.880 20 0 JHADRO Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)CC3)cn1 ZINC001164696453 719827441 /nfs/dbraw/zinc/82/74/41/719827441.db2.gz KMYVTURTCKRRDU-KRWDZBQOSA-N 1 0 463.960 3.933 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nnn(C)c3[C@@H](COCc3cccnc3)C2)nc1 ZINC001164697901 719835570 /nfs/dbraw/zinc/83/55/70/719835570.db2.gz ZLOVYTWSDPUIAO-VWNXMTODSA-N 1 0 461.614 3.863 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)C2 ZINC001164805899 720091630 /nfs/dbraw/zinc/09/16/30/720091630.db2.gz AMTLWNMCRDCACG-CWTRNNRKSA-N 1 0 457.793 3.565 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)C2 ZINC001164807922 720093686 /nfs/dbraw/zinc/09/36/86/720093686.db2.gz GLJANYJKUXJWJM-NLFFAJNJSA-N 1 0 467.017 3.713 20 0 JHADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164814389 720108865 /nfs/dbraw/zinc/10/88/65/720108865.db2.gz SDVYZXXEGLBDCD-MZNJEOGPSA-N 1 0 458.990 3.645 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3cc1C(=O)OC)CC2 ZINC001164711156 720128380 /nfs/dbraw/zinc/12/83/80/720128380.db2.gz FRDXRFVWDZFJAG-QFIPXVFZSA-N 1 0 460.578 3.924 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3nc(SC)sc31)CC2 ZINC001164714163 720129995 /nfs/dbraw/zinc/12/99/95/720129995.db2.gz WOFPQGPKIGHKEK-QGZVFWFLSA-N 1 0 456.641 3.711 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(/C=C/C(=O)OC)cc3cc[nH]c31)CC2 ZINC001164711136 720133393 /nfs/dbraw/zinc/13/33/93/720133393.db2.gz FPAOUPBTVGYQFY-YQTDCCHMSA-N 1 0 475.593 3.652 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164710470 720149993 /nfs/dbraw/zinc/14/99/93/720149993.db2.gz BQWBFYWMRZPLBF-MRXNPFEDSA-N 1 0 474.396 3.629 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCC[C@@H](C)C3)ncn1)CC2 ZINC001164710804 720150259 /nfs/dbraw/zinc/15/02/59/720150259.db2.gz CVJMIDYXZHMQEW-FYYLOGMGSA-N 1 0 450.631 3.615 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164712215 720151967 /nfs/dbraw/zinc/15/19/67/720151967.db2.gz KXJQYMADCXZUKJ-JOCHJYFZSA-N 1 0 460.582 3.912 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c(Cl)n1 ZINC001164820235 720156428 /nfs/dbraw/zinc/15/64/28/720156428.db2.gz ZUFQENFISKXXRD-IERDGZPVSA-N 1 0 457.949 3.641 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164820201 720160337 /nfs/dbraw/zinc/16/03/37/720160337.db2.gz ZSVPIHBRRVESOW-XMSQKQJNSA-N 1 0 463.960 3.922 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)C2 ZINC001164819465 720190435 /nfs/dbraw/zinc/19/04/35/720190435.db2.gz XFRCOWGPVLCWGA-OXQOHEQNSA-N 1 0 453.921 3.515 20 0 JHADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812117 720236483 /nfs/dbraw/zinc/23/64/83/720236483.db2.gz BLMHZZALKCHOGZ-UHFFFAOYSA-N 1 0 484.000 3.872 20 0 JHADRO O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164817313 720284122 /nfs/dbraw/zinc/28/41/22/720284122.db2.gz CMFABYWMMBPSPT-JOCHJYFZSA-N 1 0 450.961 3.886 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(C(=O)NCc3ccccc3)cc(Cl)n2)CC1 ZINC001164819655 720303888 /nfs/dbraw/zinc/30/38/88/720303888.db2.gz FLVPCYXYGKMWKH-XZOQPEGZSA-N 1 0 496.055 3.577 20 0 JHADRO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164720824 720312239 /nfs/dbraw/zinc/31/22/39/720312239.db2.gz APPFMFPUGGSSOM-RUZDIDTESA-N 1 0 458.610 3.657 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2c[nH]c3nc(Cl)ccc23)CC1 ZINC001164827114 720319400 /nfs/dbraw/zinc/31/94/00/720319400.db2.gz GWVHQMRVIDCKPR-QZTJIDSGSA-N 1 0 451.949 3.673 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2ccn3Cc2ccc(F)cc2)CC1 ZINC001164827805 720323300 /nfs/dbraw/zinc/32/33/00/720323300.db2.gz ISBLVXCFTFWCEJ-RPWUZVMVSA-N 1 0 476.600 3.530 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CC1 ZINC001164831709 720339350 /nfs/dbraw/zinc/33/93/50/720339350.db2.gz ZSDNMRZMSNWAIO-XZOQPEGZSA-N 1 0 482.028 3.899 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c(-c4ccccc4)nsc32)CC1 ZINC001164830758 720340104 /nfs/dbraw/zinc/34/01/04/720340104.db2.gz WWLZEDNCKFWZDM-VQTJNVASSA-N 1 0 462.623 3.665 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3[C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164821745 720345216 /nfs/dbraw/zinc/34/52/16/720345216.db2.gz BQQHHQKORZMJPC-RQTOMXEWSA-N 1 0 488.007 3.836 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(SCc3ccccc3)n2)CC1 ZINC001164827478 720349027 /nfs/dbraw/zinc/34/90/27/720349027.db2.gz MBRQSRXQLSYCIC-FCHUYYIVSA-N 1 0 451.640 3.680 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccccn3)nc3sccc32)CC1 ZINC001164827935 720349446 /nfs/dbraw/zinc/34/94/46/720349446.db2.gz NDYRVYOIKYSVHV-RTWAWAEBSA-N 1 0 462.623 3.665 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccncc3)nc3sccc32)CC1 ZINC001164822788 720349614 /nfs/dbraw/zinc/34/96/14/720349614.db2.gz FILIJSPPMOAVAC-NHCUHLMSSA-N 1 0 462.623 3.665 20 0 JHADRO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164840588 720507865 /nfs/dbraw/zinc/50/78/65/720507865.db2.gz WPVLXHJUYUYOSD-GUDVDZBRSA-N 1 0 468.627 3.751 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3C(=O)NC3CCCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835792 720513983 /nfs/dbraw/zinc/51/39/83/720513983.db2.gz LKAXWUSRYVBTDB-ODGPQVTHSA-N 1 0 450.631 3.718 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3CN(Cc3ccccc3)CC4)CC[C@@H]21 ZINC001164836516 720516935 /nfs/dbraw/zinc/51/69/35/720516935.db2.gz MVVWJPFXICGHTI-DXBVXKBHSA-N 1 0 471.653 3.609 20 0 JHADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835837 720543729 /nfs/dbraw/zinc/54/37/29/720543729.db2.gz IDGRSYXHUOFLCW-IXDOHACOSA-N 1 0 479.050 3.603 20 0 JHADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834612 720547108 /nfs/dbraw/zinc/54/71/08/720547108.db2.gz FDTFNRIUDUYROH-WAOWUJCRSA-N 1 0 468.989 3.644 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842144 720558216 /nfs/dbraw/zinc/55/82/16/720558216.db2.gz WYELLTARYLTVIZ-SLFFLAALSA-N 1 0 459.038 3.838 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835324 720585905 /nfs/dbraw/zinc/58/59/05/720585905.db2.gz BDYRWUVHHYOOGI-VDZJLULYSA-N 1 0 461.948 3.797 20 0 JHADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842248 720600307 /nfs/dbraw/zinc/60/03/07/720600307.db2.gz UXVDQTIEFFCXCG-JTDSTZFVSA-N 1 0 467.948 3.641 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3C(=O)N3CCc4ccccc43)CC[C@@H]21 ZINC001164836199 720600371 /nfs/dbraw/zinc/60/03/71/720600371.db2.gz FGDWCTFJVSGMAH-UMFSSWHCSA-N 1 0 470.621 3.859 20 0 JHADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743201 720670146 /nfs/dbraw/zinc/67/01/46/720670146.db2.gz WYBWLRAUUZVTMD-ZIAGYGMSSA-N 1 0 467.307 3.613 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164840949 720670855 /nfs/dbraw/zinc/67/08/55/720670855.db2.gz OENVBSZMXRDYLK-OAQYLSRUSA-N 1 0 479.650 3.788 20 0 JHADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737912 720709704 /nfs/dbraw/zinc/70/97/04/720709704.db2.gz HRQGASXEYMPTQT-QWHCGFSZSA-N 1 0 467.307 3.613 20 0 JHADRO COc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(N2CCCCCC2)n1 ZINC001164836485 720710416 /nfs/dbraw/zinc/71/04/16/720710416.db2.gz BJRAKJOXTGLQET-JOCHJYFZSA-N 1 0 466.630 3.521 20 0 JHADRO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164845321 720742853 /nfs/dbraw/zinc/74/28/53/720742853.db2.gz ZUUGFSKDZGVXEH-UHFFFAOYSA-N 1 0 482.926 3.581 20 0 JHADRO Clc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164740788 720828352 /nfs/dbraw/zinc/82/83/52/720828352.db2.gz LGOBLCAGLNEUFZ-GPMSIDNRSA-N 1 0 458.397 3.908 20 0 JHADRO COc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2cc(Cl)ccc12 ZINC001164742760 720828962 /nfs/dbraw/zinc/82/89/62/720828962.db2.gz QWCWXKRIXUIUDL-LRXVAGHRSA-N 1 0 452.990 3.868 20 0 JHADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740235 720829160 /nfs/dbraw/zinc/82/91/60/720829160.db2.gz JQFZZLVFTNIAGK-FRQCXROJSA-N 1 0 461.948 3.732 20 0 JHADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741142 720831912 /nfs/dbraw/zinc/83/19/12/720831912.db2.gz DENUVJYBSXBKBW-UMXIMWEHSA-N 1 0 486.599 3.590 20 0 JHADRO CSc1ccc(Oc2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)cc1 ZINC001164748972 720841541 /nfs/dbraw/zinc/84/15/41/720841541.db2.gz VFTMSNCRYUBXLO-TXTKFYIRSA-N 1 0 477.638 3.962 20 0 JHADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746567 720842364 /nfs/dbraw/zinc/84/23/64/720842364.db2.gz ORNKYQAKRJYGHF-KZNAEPCWSA-N 1 0 461.948 3.732 20 0 JHADRO CCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C2)n1)CCC3 ZINC001164751782 720845973 /nfs/dbraw/zinc/84/59/73/720845973.db2.gz YNSHAOVXPOJOEG-WSTZPKSXSA-N 1 0 463.655 3.713 20 0 JHADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164742425 720848029 /nfs/dbraw/zinc/84/80/29/720848029.db2.gz GKAYUMUSNZAFJI-NKKJXINNSA-N 1 0 492.027 3.958 20 0 JHADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164745498 720852369 /nfs/dbraw/zinc/85/23/69/720852369.db2.gz DUJLRFPZCQXGSN-LQBOVUBWSA-N 1 0 467.980 3.907 20 0 JHADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164745506 720852377 /nfs/dbraw/zinc/85/23/77/720852377.db2.gz DUJLRFPZCQXGSN-ZWCUEREDSA-N 1 0 467.980 3.907 20 0 JHADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743931 720852400 /nfs/dbraw/zinc/85/24/00/720852400.db2.gz BBUHHJONNJDWJR-BBLPPJRLSA-N 1 0 498.006 3.895 20 0 JHADRO c1csc(-c2noc(-c3ccnc(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c3)n2)c1 ZINC001164752649 720853440 /nfs/dbraw/zinc/85/34/40/720853440.db2.gz UADNCUYGXOAHLO-PCCBWWKXSA-N 1 0 488.621 3.831 20 0 JHADRO Fc1ccc2nc(C(F)F)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164747662 720855468 /nfs/dbraw/zinc/85/54/68/720855468.db2.gz IXUAINLLFILHEK-WRWLIDTKSA-N 1 0 457.504 3.677 20 0 JHADRO Clc1ncc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Oc2ccccc2)n1 ZINC001164746871 720858309 /nfs/dbraw/zinc/85/83/09/720858309.db2.gz GVKYRBMRQNRRFB-QKNQBKEWSA-N 1 0 465.989 3.893 20 0 JHADRO COC(=O)c1c(Cl)ccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755241 720874408 /nfs/dbraw/zinc/87/44/08/720874408.db2.gz VHHQMHAZBUSLDJ-NLFFAJNJSA-N 1 0 471.001 3.672 20 0 JHADRO Clc1ncnc2[nH]cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164748031 720875503 /nfs/dbraw/zinc/87/55/03/720875503.db2.gz DLUYGFUBVLHBRD-YADARESESA-N 1 0 452.990 3.713 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@@H]2C1 ZINC001164861442 720876415 /nfs/dbraw/zinc/87/64/15/720876415.db2.gz PNOVVPAKGOZKHX-KCZVDYSFSA-N 1 0 499.725 3.585 20 0 JHADRO COC(=O)c1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164751594 720876514 /nfs/dbraw/zinc/87/65/14/720876514.db2.gz LJFQPWZCKMNRJM-NEKDWFFYSA-N 1 0 487.604 3.567 20 0 JHADRO CCOC(=O)c1cc(F)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747963 720877137 /nfs/dbraw/zinc/87/71/37/720877137.db2.gz CZSGVNGBPBFXHG-HFZDXXHNSA-N 1 0 468.573 3.548 20 0 JHADRO COC(=O)c1cc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754480 720878478 /nfs/dbraw/zinc/87/84/78/720878478.db2.gz RWNXVQKZBNCQTB-NBGIEHNGSA-N 1 0 471.001 3.672 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3cccc(Cl)c3)CC[C@@H]2C1 ZINC001164852930 720888640 /nfs/dbraw/zinc/88/86/40/720888640.db2.gz AMEVOHYXIMBRJB-DNVCBOLYSA-N 1 0 453.370 3.749 20 0 JHADRO COc1ccc2ncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164755939 720890449 /nfs/dbraw/zinc/89/04/49/720890449.db2.gz NOGNJKXQZQJLCS-AJTFRIOCSA-N 1 0 459.594 3.789 20 0 JHADRO FC(F)(c1cnnc(Cl)c1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752499 720890580 /nfs/dbraw/zinc/89/05/80/720890580.db2.gz DUCXCLUKWPLVQW-IRLDBZIGSA-N 1 0 463.960 3.825 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccc(OC)cc4)nnc3Cl)CC[C@@H]2C1 ZINC001164855885 720892525 /nfs/dbraw/zinc/89/25/25/720892525.db2.gz CZVKTJOWKGRDLR-UTKZUKDTSA-N 1 0 482.959 3.524 20 0 JHADRO COc1nc(-c2ccccc2)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758078 720895675 /nfs/dbraw/zinc/89/56/75/720895675.db2.gz WLKDXBKZHDZROB-CUBQBAPOSA-N 1 0 486.620 3.697 20 0 JHADRO FC(F)(COc1cncc(Cl)n1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751313 720914848 /nfs/dbraw/zinc/91/48/48/720914848.db2.gz LHYHRPJVVRNYIX-NFBKMPQASA-N 1 0 493.986 3.747 20 0 JHADRO COc1nnc(Cl)cc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749044 720935989 /nfs/dbraw/zinc/93/59/89/720935989.db2.gz HMJYEGWSSNYWAG-CVDCTZTESA-N 1 0 493.986 3.834 20 0 JHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1)[C@H]2C ZINC001164859247 720951678 /nfs/dbraw/zinc/95/16/78/720951678.db2.gz LQKVKZZTJSYUOZ-AWEZNQCLSA-N 1 0 482.963 3.860 20 0 JHADRO CC(C)CN1[C@H]2CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164758932 720972009 /nfs/dbraw/zinc/97/20/09/720972009.db2.gz XFEPVWTULGRBOE-GOTSBHOMSA-N 1 0 484.666 3.753 20 0 JHADRO CC(C)CN1[C@H]2CCN(c3ncccc3C[NH+]3CCCC3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164756398 720972057 /nfs/dbraw/zinc/97/20/57/720972057.db2.gz HUIWCSCGGAMVHY-XZOQPEGZSA-N 1 0 484.666 3.754 20 0 JHADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001164758323 721013178 /nfs/dbraw/zinc/01/31/78/721013178.db2.gz IDZWSQSLWWSSRB-KGPYPHOUSA-N 1 0 497.643 3.677 20 0 JHADRO Fc1ccc2nc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164867362 721083488 /nfs/dbraw/zinc/08/34/88/721083488.db2.gz YERKSYKSUPIQOV-SJORKVTESA-N 1 0 463.891 3.842 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C[C@@H]3C2)cn1 ZINC001164766423 721094338 /nfs/dbraw/zinc/09/43/38/721094338.db2.gz KFRDYNAKVUJXQF-GJZGRUSLSA-N 1 0 450.896 3.659 20 0 JHADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164880407 721145390 /nfs/dbraw/zinc/14/53/90/721145390.db2.gz WFXVWDUHZYJPDL-JWQCQUIFSA-N 1 0 468.605 3.971 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164880706 721157693 /nfs/dbraw/zinc/15/76/93/721157693.db2.gz XFEDEBCKLRRHHK-AEFFLSMTSA-N 1 0 475.927 3.711 20 0 JHADRO COc1ccc(Cc2c(C)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2C)cc1 ZINC001164872578 721177060 /nfs/dbraw/zinc/17/70/60/721177060.db2.gz HVIDZXUHXQFHDL-ILBGXUMGSA-N 1 0 459.594 3.568 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@H]3C2)cn1 ZINC001164764178 721179459 /nfs/dbraw/zinc/17/94/59/721179459.db2.gz GLBABAOPZKVVAF-JWQCQUIFSA-N 1 0 459.594 3.876 20 0 JHADRO Clc1nnc(Cl)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1N1CCCCC1 ZINC001164868388 721198179 /nfs/dbraw/zinc/19/81/79/721198179.db2.gz MOLPQAOUJCPJEI-ZWKOTPCHSA-N 1 0 463.413 3.648 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C[C@H]3C2)cn1 ZINC001164774486 721218018 /nfs/dbraw/zinc/21/80/18/721218018.db2.gz ZTVBURXFZSVZCW-DNVFCKCGSA-N 1 0 456.953 3.616 20 0 JHADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)CC2)C1 ZINC001164872748 721277387 /nfs/dbraw/zinc/27/73/87/721277387.db2.gz FNVALQQWECACSN-UHFFFAOYSA-N 1 0 494.039 3.957 20 0 JHADRO CCOC(=O)c1c(C)cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1C ZINC001164782234 721354524 /nfs/dbraw/zinc/35/45/24/721354524.db2.gz LKMMPVHOEXROEB-RUZDIDTESA-N 1 0 456.587 3.599 20 0 JHADRO COC(=O)c1cccc2nc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ccc21 ZINC001164780701 721370598 /nfs/dbraw/zinc/37/05/98/721370598.db2.gz GOMWBHRUZGRYBU-SANMLTNESA-N 1 0 464.566 3.745 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164894129 721391359 /nfs/dbraw/zinc/39/13/59/721391359.db2.gz XUVAUOGZOIPQOP-XMSQKQJNSA-N 1 0 465.976 3.594 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5ccc(Cl)cc5nc4Cl)C3)O2)CC1 ZINC001164892399 721402466 /nfs/dbraw/zinc/40/24/66/721402466.db2.gz YACRICZWUGRBSD-HTAPYJJXSA-N 1 0 450.414 3.702 20 0 JHADRO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164894238 721430259 /nfs/dbraw/zinc/43/02/59/721430259.db2.gz KZZSBXARPLUCPB-OXQOHEQNSA-N 1 0 461.022 3.767 20 0 JHADRO COC(=O)c1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc2C)cc1 ZINC001164889535 721430766 /nfs/dbraw/zinc/43/07/66/721430766.db2.gz BIDYLAKYMCPWQU-YWEHKCAJSA-N 1 0 478.637 3.609 20 0 JHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891327 721434263 /nfs/dbraw/zinc/43/42/63/721434263.db2.gz GIMBDAKFWWYCPL-AWVRMFGXSA-N 1 0 478.685 3.774 20 0 JHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891333 721434334 /nfs/dbraw/zinc/43/43/34/721434334.db2.gz GIMBDAKFWWYCPL-IWHLBADBSA-N 1 0 478.685 3.774 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc5c(Cl)cccc5nc4Cl)C3)O2)CC1 ZINC001164893814 721446737 /nfs/dbraw/zinc/44/67/37/721446737.db2.gz KRJOZUBSBIUWFF-OPAMFIHVSA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164887986 721447680 /nfs/dbraw/zinc/44/76/80/721447680.db2.gz LLJWRBGVSIIJTE-BEFAXECRSA-N 1 0 465.372 3.579 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)O2)CC1 ZINC001164892038 721451864 /nfs/dbraw/zinc/45/18/64/721451864.db2.gz VXSHAGGGTUIREG-PZJWPPBQSA-N 1 0 454.993 3.620 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001164790175 721455745 /nfs/dbraw/zinc/45/57/45/721455745.db2.gz XCUHRNBELHXEBS-HXUWFJFHSA-N 1 0 475.634 3.558 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(N)cc(Cl)n1)CC2 ZINC001164785574 721461995 /nfs/dbraw/zinc/46/19/95/721461995.db2.gz MCAMYNDZWUPELL-SFHVURJKSA-N 1 0 458.981 3.596 20 0 JHADRO CCCN(CCC)c1cc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ncn1 ZINC001164782786 721463444 /nfs/dbraw/zinc/46/34/44/721463444.db2.gz BUYHRIUCMYUJNA-QHCPKHFHSA-N 1 0 459.679 3.837 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(-c3cccc(OC)c3)n1)CC2 ZINC001164783530 721463462 /nfs/dbraw/zinc/46/34/62/721463462.db2.gz DIKPURHKPMXHPN-HSZRJFAPSA-N 1 0 466.626 3.886 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(NC(=O)c3ccccc3)n1)CC2 ZINC001164788216 721469885 /nfs/dbraw/zinc/46/98/85/721469885.db2.gz IPYHMHKFAFIXAC-DEOSSOPVSA-N 1 0 493.652 3.771 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164791230 721471647 /nfs/dbraw/zinc/47/16/47/721471647.db2.gz VMFQGZBZHMJEDD-QHCPKHFHSA-N 1 0 458.647 3.780 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)nc1 ZINC001164898835 721495529 /nfs/dbraw/zinc/49/55/29/721495529.db2.gz IIKVKILHDNDDFH-WBADGQHESA-N 1 0 478.670 3.851 20 0 JHADRO COC(=O)c1ccc2nc(Cl)c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2c1 ZINC001164900010 721515165 /nfs/dbraw/zinc/51/51/65/721515165.db2.gz NAPGALVHAQPGNN-SJLPKXTDSA-N 1 0 456.905 3.551 20 0 JHADRO Cc1ccc(-c2nc3ccccc3c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)n2)s1 ZINC001164795424 721520096 /nfs/dbraw/zinc/52/00/96/721520096.db2.gz PBBKZFYVNYTHJM-UHFFFAOYSA-N 1 0 459.623 3.631 20 0 JHADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909317 721528819 /nfs/dbraw/zinc/52/88/19/721528819.db2.gz RITXNXBZVPSTNQ-AEFFLSMTSA-N 1 0 496.917 3.723 20 0 JHADRO CCOC(Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)OCC ZINC001164905209 721533998 /nfs/dbraw/zinc/53/39/98/721533998.db2.gz GQGWJOKSKOERPN-IEBWSBKVSA-N 1 0 464.969 3.553 20 0 JHADRO CCOc1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2cc1OCC ZINC001164809394 721555012 /nfs/dbraw/zinc/55/50/12/721555012.db2.gz WWEMMAWDRVGHSG-OTNCWRBYSA-N 1 0 463.582 3.690 20 0 JHADRO COc1ccc(OC)c(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c1 ZINC001164909288 721558927 /nfs/dbraw/zinc/55/89/27/721558927.db2.gz UDLZNICQSVRDSB-WIYYLYMNSA-N 1 0 450.514 3.642 20 0 JHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2cccc(F)c2)[C@H]2CCCO[C@H]12 ZINC001164800442 721559540 /nfs/dbraw/zinc/55/95/40/721559540.db2.gz FNDHLOVNGCQRKH-GVAUOCQISA-N 1 0 472.568 3.882 20 0 JHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164809432 721559795 /nfs/dbraw/zinc/55/97/95/721559795.db2.gz XHSVAOBRRYXCJU-GVAUOCQISA-N 1 0 454.578 3.743 20 0 JHADRO COC(=O)c1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c2ccccc2c1OC ZINC001164904084 721560109 /nfs/dbraw/zinc/56/01/09/721560109.db2.gz CZKJYTWQZRNIHC-HKUYNNGSSA-N 1 0 451.498 3.511 20 0 JHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2ccc(F)cc2)[C@H]2CCCO[C@@H]12 ZINC001164810573 721560234 /nfs/dbraw/zinc/56/02/34/721560234.db2.gz YYSGOBOWOVFOQK-ISJGIBHGSA-N 1 0 472.568 3.882 20 0 JHADRO COc1ccc(CN(C)c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164910362 721563388 /nfs/dbraw/zinc/56/33/88/721563388.db2.gz WJSFYRQSSOULDC-XUZZJYLKSA-N 1 0 463.557 3.603 20 0 JHADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(-c2ccc(Cl)nc2)n1 ZINC001164801092 721587914 /nfs/dbraw/zinc/58/79/14/721587914.db2.gz DRTUGKLXLXPDLX-JTAQYXEDSA-N 1 0 450.974 3.764 20 0 JHADRO COc1cccc(CN2C[C@@H]3CC[N@@H+](C(C)(C)c4ccnc(Cl)c4)CC[C@@H]3S2(=O)=O)c1 ZINC001164802584 721592924 /nfs/dbraw/zinc/59/29/24/721592924.db2.gz GVZJWAALXPWQEP-RXVVDRJESA-N 1 0 464.031 3.905 20 0 JHADRO Cc1cccc(CN2CCO[C@@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)CC[C@H]3C2=O)n1 ZINC001164798765 721602458 /nfs/dbraw/zinc/60/24/58/721602458.db2.gz IEWLUPPXQPUNJA-IXCJQBJRSA-N 1 0 497.643 3.597 20 0 JHADRO COc1nc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907735 721720294 /nfs/dbraw/zinc/72/02/94/721720294.db2.gz SZLBDEBJALZOFT-GOSISDBHSA-N 1 0 459.875 3.816 20 0 JHADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164909744 721725762 /nfs/dbraw/zinc/72/57/62/721725762.db2.gz DIJAFINYEQUKMF-WMZHIEFXSA-N 1 0 493.624 3.681 20 0 JHADRO CCOC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1C(=O)OCC ZINC001164911845 721738044 /nfs/dbraw/zinc/73/80/44/721738044.db2.gz LBDGYUFTMBWTSG-DEOSSOPVSA-N 1 0 488.535 3.568 20 0 JHADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001164908846 721751144 /nfs/dbraw/zinc/75/11/44/721751144.db2.gz LVLUIYHGHQIHEG-UHFFFAOYSA-N 1 0 452.990 3.780 20 0 JHADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026272 721801323 /nfs/dbraw/zinc/80/13/23/721801323.db2.gz QGNZCBGZGRTGEC-IPELMVKDSA-N 1 0 479.959 3.984 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C[C@H]21 ZINC001165026808 721815960 /nfs/dbraw/zinc/81/59/60/721815960.db2.gz RKIWPNOYJHJBNR-BHIYHBOVSA-N 1 0 477.440 3.752 20 0 JHADRO CCOC(=O)c1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2s1 ZINC001165024676 721818364 /nfs/dbraw/zinc/81/83/64/721818364.db2.gz KIPVFCUXZCYVCN-ILZDJORESA-N 1 0 451.596 4.000 20 0 JHADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027616 721819617 /nfs/dbraw/zinc/81/96/17/721819617.db2.gz VIUXUMXRIDQEEG-GREBRCKQSA-N 1 0 479.625 3.985 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)C[C@@H]21 ZINC001165025689 721824305 /nfs/dbraw/zinc/82/43/05/721824305.db2.gz NJSZNWLCLZYJGX-MSLLRLGPSA-N 1 0 483.664 3.935 20 0 JHADRO COC(=O)c1nc(Cl)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)n1 ZINC001165019107 721830993 /nfs/dbraw/zinc/83/09/93/721830993.db2.gz AXMFDAPGKFGJQX-IMJJTQAJSA-N 1 0 450.370 3.702 20 0 JHADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C(=O)OCC ZINC001165024020 721831800 /nfs/dbraw/zinc/83/18/00/721831800.db2.gz JIBZAVATTRPNLW-CDNPAEQRSA-N 1 0 466.582 3.567 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)nnc(Cl)c3N3CCOCC3)C[C@H]21 ZINC001165025136 721832472 /nfs/dbraw/zinc/83/24/72/721832472.db2.gz LXCKQNIGXSHPEL-BHIYHBOVSA-N 1 0 477.440 3.752 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2ncc(F)cn2)C3)nc1 ZINC001164924204 721846553 /nfs/dbraw/zinc/84/65/53/721846553.db2.gz XFEGUPJAZZWGLP-WIOPSUGQSA-N 1 0 454.594 3.681 20 0 JHADRO COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c(Cl)nn1 ZINC001164929237 721890187 /nfs/dbraw/zinc/89/01/87/721890187.db2.gz ASNUFJLKAHDPED-RTBURBONSA-N 1 0 451.949 3.565 20 0 JHADRO O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]21)NC1CCC1 ZINC001164936135 721898021 /nfs/dbraw/zinc/89/80/21/721898021.db2.gz YDTROJLDVUKEIX-PBEJRMEISA-N 1 0 480.987 3.557 20 0 JHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[NH+](C[C@@H]5CCCO5)CC4)c23)C1 ZINC001165039186 721918165 /nfs/dbraw/zinc/91/81/65/721918165.db2.gz RCXAXGYNPWNIFZ-MOPGFXCFSA-N 1 0 455.672 3.713 20 0 JHADRO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)cc1OCC ZINC001164939351 721925748 /nfs/dbraw/zinc/92/57/48/721925748.db2.gz JQMQAUBDGAAKHE-UHFFFAOYSA-N 1 0 453.583 3.837 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(-c5cc6c([nH]5)CCNC6=O)ccn4)CC3)C2)cc1 ZINC001164938946 721925859 /nfs/dbraw/zinc/92/58/59/721925859.db2.gz CONPGVXEVDYRPU-UHFFFAOYSA-N 1 0 471.605 3.542 20 0 JHADRO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164941025 721926404 /nfs/dbraw/zinc/92/64/04/721926404.db2.gz YZHCCTZAMNSNSH-UHFFFAOYSA-N 1 0 458.990 3.548 20 0 JHADRO Clc1nc2c(c(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)n1)CN(Cc1ccccc1)CC2 ZINC001164959455 722051033 /nfs/dbraw/zinc/05/10/33/722051033.db2.gz KCJQFCUVSTTXED-QFZRFWILSA-N 1 0 491.039 3.988 20 0 JHADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958122 722052522 /nfs/dbraw/zinc/05/25/22/722052522.db2.gz CSGFNEKACKQIRL-UHFFFAOYSA-N 1 0 458.990 3.734 20 0 JHADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164962909 722055666 /nfs/dbraw/zinc/05/56/66/722055666.db2.gz FSEGUDUGKUBXSB-HXUWFJFHSA-N 1 0 498.031 3.693 20 0 JHADRO Clc1nc2c(Cl)nccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963266 722059220 /nfs/dbraw/zinc/05/92/20/722059220.db2.gz UXSPJJAFQPPZBH-UHFFFAOYSA-N 1 0 459.381 3.846 20 0 JHADRO CCOc1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OCC ZINC001164971395 722118218 /nfs/dbraw/zinc/11/82/18/722118218.db2.gz BXEQICGCQAWMRO-CPJSRVTESA-N 1 0 463.582 3.550 20 0 JHADRO FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983073 722128371 /nfs/dbraw/zinc/12/83/71/722128371.db2.gz XYPDXPWYAKDTHV-FXAWDEMLSA-N 1 0 459.928 3.950 20 0 JHADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972762 722135797 /nfs/dbraw/zinc/13/57/97/722135797.db2.gz AKTUEHUDXFEOBE-HZPDHXFCSA-N 1 0 458.340 3.537 20 0 JHADRO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2C)cc1 ZINC001164983836 722137036 /nfs/dbraw/zinc/13/70/36/722137036.db2.gz VNWZQXIDDQGTCV-AOYPEHQESA-N 1 0 472.589 3.966 20 0 JHADRO c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164975220 722137995 /nfs/dbraw/zinc/13/79/95/722137995.db2.gz FTKBJTUUZCKLCB-RDGATRHJSA-N 1 0 458.610 3.742 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978888 722138429 /nfs/dbraw/zinc/13/84/29/722138429.db2.gz KJRYGQZOSDDLKV-VQTJNVASSA-N 1 0 486.954 3.859 20 0 JHADRO c1ccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)nc1 ZINC001164984181 722140941 /nfs/dbraw/zinc/14/09/41/722140941.db2.gz WEHAUYUOZLJNAY-PXDATVDWSA-N 1 0 452.562 3.814 20 0 JHADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975166 722144733 /nfs/dbraw/zinc/14/47/33/722144733.db2.gz FAAJJLSSJVNVLL-FXAWDEMLSA-N 1 0 459.928 3.950 20 0 JHADRO CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164990338 722187800 /nfs/dbraw/zinc/18/78/00/722187800.db2.gz LRESZVCCTLXTLL-HXUWFJFHSA-N 1 0 483.003 3.758 20 0 JHADRO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)C1 ZINC001164996651 722208615 /nfs/dbraw/zinc/20/86/15/722208615.db2.gz UTUJVYXTCXAMJP-LVXARBLLSA-N 1 0 467.589 3.640 20 0 JHADRO CCOC(=O)c1ccnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1C(=O)OCC ZINC001164996158 722213414 /nfs/dbraw/zinc/21/34/14/722213414.db2.gz MIYDMKNETGKQDY-VWLOTQADSA-N 1 0 455.530 3.819 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CCC2 ZINC001165000885 722251865 /nfs/dbraw/zinc/25/18/65/722251865.db2.gz WAAAUIQRSFKYJG-UHFFFAOYSA-N 1 0 468.911 3.652 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(C(F)F)nc3ccc(Cl)cc31)CCC2 ZINC001165003749 722257640 /nfs/dbraw/zinc/25/76/40/722257640.db2.gz GZFBEWOMXRIYHU-UHFFFAOYSA-N 1 0 450.921 3.906 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOC)CC[N@@H+]1CCOC ZINC001306621508 1069310065 /nfs/dbraw/zinc/31/00/65/1069310065.db2.gz XYKBLVGTRJLIEH-QUCCMNQESA-N 1 0 461.676 3.715 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCc2ccc(Cl)s2)CC[N@@H+]1CCOC ZINC001306622929 1069313399 /nfs/dbraw/zinc/31/33/99/1069313399.db2.gz GAFVPKPZUUGUNR-QGZVFWFLSA-N 1 0 476.050 3.630 20 0 JHADRO Cn1cc(Br)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1=O ZINC001311281845 1069315004 /nfs/dbraw/zinc/31/50/04/1069315004.db2.gz IEXVIPBPFIHCNY-XLIONFOSSA-N 1 0 459.388 3.666 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001306624193 1069317058 /nfs/dbraw/zinc/31/70/58/1069317058.db2.gz MLJVJBJGMUGAJO-WXVAWEFUSA-N 1 0 496.656 3.703 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001306624586 1069318134 /nfs/dbraw/zinc/31/81/34/1069318134.db2.gz PBYUJGDXHNGXED-NRFANRHFSA-N 1 0 495.672 3.972 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC001306626286 1069321808 /nfs/dbraw/zinc/32/18/08/1069321808.db2.gz XRZJEZGYULRZHI-PKTZIBPZSA-N 1 0 457.619 3.514 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC(C)C)n2Cc2ccc3c(c2)OC(C)(C)O3)CC[N@@H+]1CCOC ZINC001306628549 1069327278 /nfs/dbraw/zinc/32/72/78/1069327278.db2.gz GNGQKNQUFGTSKD-OAQYLSRUSA-N 1 0 471.646 3.969 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CCO1 ZINC001306629342 1069328486 /nfs/dbraw/zinc/32/84/86/1069328486.db2.gz PFIHSSMQRFCYJW-PKTZIBPZSA-N 1 0 484.670 3.951 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(F)c2)CC[N@@H+]1CCOC ZINC001306630074 1069328660 /nfs/dbraw/zinc/32/86/60/1069328660.db2.gz TVTLKBJZUNIARE-JOCHJYFZSA-N 1 0 472.634 3.758 20 0 JHADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC001311343867 1069331248 /nfs/dbraw/zinc/33/12/48/1069331248.db2.gz LOHJLGAVMHRCBE-FXAWDEMLSA-N 1 0 453.505 3.976 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC001306631236 1069331582 /nfs/dbraw/zinc/33/15/82/1069331582.db2.gz SJEKKXAVXBWCMM-WPFOTENUSA-N 1 0 471.646 3.670 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)NC[C@H](c1cccs1)N1CCOCC1 ZINC001311345474 1069331835 /nfs/dbraw/zinc/33/18/35/1069331835.db2.gz QLVBUQOMIVFRKU-HSZRJFAPSA-N 1 0 456.656 3.997 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC001311346070 1069332809 /nfs/dbraw/zinc/33/28/09/1069332809.db2.gz OHOGZLRYJRPZQD-ZJSXRUAMSA-N 1 0 450.583 3.527 20 0 JHADRO COc1ccc([C@H](CNC(=O)NCc2cc(C)ccc2Br)[NH+](C)C)cc1OC ZINC001311346831 1069333171 /nfs/dbraw/zinc/33/31/71/1069333171.db2.gz BXXGXOIWHZFKMQ-SFHVURJKSA-N 1 0 450.377 3.877 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC2CCC(F)(F)CC2)CC[N@@H+]1CCOC ZINC001306632460 1069334513 /nfs/dbraw/zinc/33/45/13/1069334513.db2.gz YMJJNORVJQEVDR-PMACEKPBSA-N 1 0 455.594 3.545 20 0 JHADRO COc1ccc([C@@H](CNC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)[NH+](C)C)cc1OC ZINC001311348258 1069334740 /nfs/dbraw/zinc/33/47/40/1069334740.db2.gz IEWZRMTUNLQDCB-QGZVFWFLSA-N 1 0 459.934 3.509 20 0 JHADRO CCC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CCO1 ZINC001306632350 1069333956 /nfs/dbraw/zinc/33/39/56/1069333956.db2.gz LAMYXGOQCFTFOW-FQEVSTJZSA-N 1 0 466.051 3.565 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC001311360655 1069344746 /nfs/dbraw/zinc/34/47/46/1069344746.db2.gz USBDVJONHPIYDS-XQBPLPMBSA-N 1 0 455.624 3.535 20 0 JHADRO CCCCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001306636845 1069345738 /nfs/dbraw/zinc/34/57/38/1069345738.db2.gz BXKYMYAZOOCLLO-JTHBVZDNSA-N 1 0 496.704 3.768 20 0 JHADRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(NC(=O)CCCOc4ccccc4)cc3)CC[C@@H]21 ZINC001311364021 1069346743 /nfs/dbraw/zinc/34/67/43/1069346743.db2.gz XEGSDZZHZTVBSI-URXFXBBRSA-N 1 0 450.583 3.720 20 0 JHADRO CCN(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311366318 1069346840 /nfs/dbraw/zinc/34/68/40/1069346840.db2.gz BDVCMBVRTZJAAM-DQEYMECFSA-N 1 0 454.590 3.505 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[C@H]1C(F)(F)F ZINC001311367979 1069347138 /nfs/dbraw/zinc/34/71/38/1069347138.db2.gz JXCYGXFAUDQLLC-CABCVRRESA-N 1 0 450.546 3.783 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCc2ccccn2)CC[N@@H+]1CCOC ZINC001306638608 1069348286 /nfs/dbraw/zinc/34/82/86/1069348286.db2.gz AZFUDFDVYXLMPK-OAQYLSRUSA-N 1 0 452.578 3.659 20 0 JHADRO CCCC(=O)Nc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC001311378243 1069351423 /nfs/dbraw/zinc/35/14/23/1069351423.db2.gz ZBKLZOMFRYIFTR-ZEQRLZLVSA-N 1 0 457.663 3.904 20 0 JHADRO CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001306642030 1069352769 /nfs/dbraw/zinc/35/27/69/1069352769.db2.gz SDKLBDQVTBFYND-UHFFFAOYSA-N 1 0 467.618 3.598 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@H](CCO)c3ccc(Cl)cc3)CC2)c1 ZINC001311380179 1069353870 /nfs/dbraw/zinc/35/38/70/1069353870.db2.gz IRHZNZHKOBIIFZ-XMMPIXPASA-N 1 0 459.034 3.974 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCCC[C@@H]3[C@H](O)c3ccccc3)CC2)c1 ZINC001311380319 1069354057 /nfs/dbraw/zinc/35/40/57/1069354057.db2.gz KPZPNSDGXWDMOZ-CLJLJLNGSA-N 1 0 450.627 3.805 20 0 JHADRO CC[C@H](CNC(=O)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCc2ccccc2C1 ZINC001311396886 1069360824 /nfs/dbraw/zinc/36/08/24/1069360824.db2.gz PWKITXBJAITDBK-JOCHJYFZSA-N 1 0 456.631 3.866 20 0 JHADRO COC(=O)c1sc2c(c1Br)CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C2 ZINC001311394452 1069360068 /nfs/dbraw/zinc/36/00/68/1069360068.db2.gz GKMIZXNOJLXPTI-AWEZNQCLSA-N 1 0 458.422 3.833 20 0 JHADRO CC[C@@H](CNC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCc2ccccc2C1 ZINC001311395403 1069360369 /nfs/dbraw/zinc/36/03/69/1069360369.db2.gz JSNITESPOASRPO-MCEYFSPLSA-N 1 0 456.631 3.912 20 0 JHADRO CC1CC[NH+](CCNC(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)CC1 ZINC001311397345 1069361164 /nfs/dbraw/zinc/36/11/64/1069361164.db2.gz DCBOJXPGNGLWKW-UHFFFAOYSA-N 1 0 454.590 3.968 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)C1 ZINC001311402589 1069362067 /nfs/dbraw/zinc/36/20/67/1069362067.db2.gz BKHWSOUDSLBHLI-SVMVAKDDSA-N 1 0 452.437 3.810 20 0 JHADRO CCCCCn1cc(Cn2c(-c3cnn(C)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c(C)n1 ZINC001306655770 1069368244 /nfs/dbraw/zinc/36/82/44/1069368244.db2.gz GNPRACZTMNDDEV-UHFFFAOYSA-N 1 0 481.693 3.980 20 0 JHADRO CC(C)[NH+](CCNC(=O)N1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1)C(C)C ZINC001311420794 1069368500 /nfs/dbraw/zinc/36/85/00/1069368500.db2.gz NBBMJNREDOBOKV-NHCUHLMSSA-N 1 0 454.656 3.599 20 0 JHADRO CCCCCn1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)c(C)n1 ZINC001306657982 1069372630 /nfs/dbraw/zinc/37/26/30/1069372630.db2.gz MPDYEDPAZYDSLX-OAQYLSRUSA-N 1 0 457.667 3.836 20 0 JHADRO COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC001311438021 1069380040 /nfs/dbraw/zinc/38/00/40/1069380040.db2.gz LNNCQZVDGHFENJ-XMMPIXPASA-N 1 0 455.599 3.740 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001306666095 1069393842 /nfs/dbraw/zinc/39/38/42/1069393842.db2.gz SRUBZNWATJWVNP-JTHBVZDNSA-N 1 0 486.661 3.891 20 0 JHADRO CCCCN(C)c1nnc(-c2cc(Br)cn2C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001306667281 1069395507 /nfs/dbraw/zinc/39/55/07/1069395507.db2.gz WJPFWKFQDHGYQB-KRWDZBQOSA-N 1 0 467.456 3.783 20 0 JHADRO CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001311480544 1069397763 /nfs/dbraw/zinc/39/77/63/1069397763.db2.gz OHKWLFNPVGAQSC-HSZRJFAPSA-N 1 0 458.647 3.980 20 0 JHADRO CCCCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001306677082 1069400992 /nfs/dbraw/zinc/40/09/92/1069400992.db2.gz QWMWEDHBISCVRU-IBGZPJMESA-N 1 0 466.655 3.953 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCS2)CC1 ZINC001306679734 1069405733 /nfs/dbraw/zinc/40/57/33/1069405733.db2.gz JDIKATFPSYEESM-FQEVSTJZSA-N 1 0 450.697 3.650 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)cc2)CC1 ZINC001306680314 1069407280 /nfs/dbraw/zinc/40/72/80/1069407280.db2.gz WNVPIPRSPGCASO-JOCHJYFZSA-N 1 0 456.610 3.559 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(C1)CCOCC2 ZINC001306681843 1069412035 /nfs/dbraw/zinc/41/20/35/1069412035.db2.gz VPEDMJFLJKCVQY-UHFFFAOYSA-N 1 0 457.619 3.701 20 0 JHADRO CC(=O)N1CC[C@H](NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC001311499126 1069408526 /nfs/dbraw/zinc/40/85/26/1069408526.db2.gz XEMPHPJSEOJBFD-GLDPYIMESA-N 1 0 450.583 3.593 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001306682649 1069413791 /nfs/dbraw/zinc/41/37/91/1069413791.db2.gz KPUFZZYZQXPQCB-QZTJIDSGSA-N 1 0 451.930 3.584 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001306682784 1069414532 /nfs/dbraw/zinc/41/45/32/1069414532.db2.gz NPCPDPOXFDXKKH-RUZDIDTESA-N 1 0 491.702 3.722 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001306682974 1069415162 /nfs/dbraw/zinc/41/51/62/1069415162.db2.gz RUQXCZPZCXWXMG-HNNXBMFYSA-N 1 0 497.869 3.760 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001306683944 1069418767 /nfs/dbraw/zinc/41/87/67/1069418767.db2.gz GOGRVAVSNHNXJR-UHFFFAOYSA-N 1 0 484.693 3.616 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001311518037 1069419256 /nfs/dbraw/zinc/41/92/56/1069419256.db2.gz GFYRGFSXEWTPQZ-MSOLQXFVSA-N 1 0 454.537 3.731 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001306684235 1069419410 /nfs/dbraw/zinc/41/94/10/1069419410.db2.gz IWXQGUDJFYRDJI-FQEVSTJZSA-N 1 0 455.632 3.723 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1Cc2ccc(Br)cc2C1 ZINC001306684381 1069419510 /nfs/dbraw/zinc/41/95/10/1069419510.db2.gz LUQVUJQHDRPRLO-UHFFFAOYSA-N 1 0 458.408 3.693 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001306684827 1069420086 /nfs/dbraw/zinc/42/00/86/1069420086.db2.gz URHVBSXNMGPYQR-NRFANRHFSA-N 1 0 455.994 3.698 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](CC)C1 ZINC001306685868 1069422149 /nfs/dbraw/zinc/42/21/49/1069422149.db2.gz MIFALQZBVCLQNB-VQTJNVASSA-N 1 0 496.722 3.650 20 0 JHADRO CN(C(=O)N[C@@H](COc1ccccc1F)c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001311526633 1069424103 /nfs/dbraw/zinc/42/41/03/1069424103.db2.gz XUXBZIBACKCSLU-UPVQGACJSA-N 1 0 454.590 3.756 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001306687842 1069424703 /nfs/dbraw/zinc/42/47/03/1069424703.db2.gz LQHQJALHDDDYKT-HXUWFJFHSA-N 1 0 458.607 3.774 20 0 JHADRO CCC(CC)[C@@H](CNC(=O)NC1(Cc2ccccc2Br)CC1)[NH+]1CCOCC1 ZINC001311532949 1069426414 /nfs/dbraw/zinc/42/64/14/1069426414.db2.gz JUMZRURRCWBNIG-HXUWFJFHSA-N 1 0 452.437 3.960 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001306689459 1069426534 /nfs/dbraw/zinc/42/65/34/1069426534.db2.gz WCEJAFFSTWXNPV-UHFFFAOYSA-N 1 0 474.057 3.563 20 0 JHADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2c(Cl)cc(Br)cc2Cl)CC1 ZINC001311536117 1069428447 /nfs/dbraw/zinc/42/84/47/1069428447.db2.gz LAPMXYOMHTUZET-UHFFFAOYSA-N 1 0 452.224 3.581 20 0 JHADRO Cn1ncc(Br)c1CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC001311536930 1069428970 /nfs/dbraw/zinc/42/89/70/1069428970.db2.gz RPRHBYSTYHBWPY-UHFFFAOYSA-N 1 0 456.388 3.911 20 0 JHADRO CCC(CC)[C@H](CNC(=O)N[C@H](C)c1ccc(Br)cc1OC)[NH+]1CCOCC1 ZINC001311537169 1069429634 /nfs/dbraw/zinc/42/96/34/1069429634.db2.gz ZPEJEZTWKFEKIK-BEFAXECRSA-N 1 0 456.425 3.955 20 0 JHADRO CCC(CC)[C@@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)[NH+]1CCCC1 ZINC001311538232 1069430176 /nfs/dbraw/zinc/43/01/76/1069430176.db2.gz UPNBQEJUIJEMMZ-FGZHOGPDSA-N 1 0 450.649 3.503 20 0 JHADRO CCCCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001306694890 1069431994 /nfs/dbraw/zinc/43/19/94/1069431994.db2.gz FCDVVUXLGRIVEI-OAQYLSRUSA-N 1 0 456.418 3.857 20 0 JHADRO CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001306703187 1069439085 /nfs/dbraw/zinc/43/90/85/1069439085.db2.gz POLWUCQIAVTJFH-INIZCTEOSA-N 1 0 466.424 3.673 20 0 JHADRO CCc1ccc([C@@H](CNC(=O)N(Cc2cncs2)C2CCN(C(C)=O)CC2)[NH+](C)C)cc1 ZINC001311573848 1069445274 /nfs/dbraw/zinc/44/52/74/1069445274.db2.gz WONXWLDIPDLARO-HSZRJFAPSA-N 1 0 457.644 3.531 20 0 JHADRO CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001306708794 1069443152 /nfs/dbraw/zinc/44/31/52/1069443152.db2.gz VIINVBUEPFRHPS-QFIPXVFZSA-N 1 0 490.693 3.741 20 0 JHADRO CCCCn1cc(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(C)n1 ZINC001306716439 1069448354 /nfs/dbraw/zinc/44/83/54/1069448354.db2.gz BVPBWTMJSXBQRQ-DEOSSOPVSA-N 1 0 465.646 3.610 20 0 JHADRO C[C@]1(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCN(C(=O)OCc2ccccc2)C1 ZINC001311590046 1069453544 /nfs/dbraw/zinc/45/35/44/1069453544.db2.gz MVUZNQLMDUDPCB-SANMLTNESA-N 1 0 450.583 3.883 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001306721827 1069458933 /nfs/dbraw/zinc/45/89/33/1069458933.db2.gz FMKSLOJXAKFGAH-PMACEKPBSA-N 1 0 495.093 3.662 20 0 JHADRO C[N@H+](CCCOc1ccccc1CNC(=O)NCc1nnc2n1CCCCC2)C1CCCC1 ZINC001311605408 1069459135 /nfs/dbraw/zinc/45/91/35/1069459135.db2.gz PXQYCDRDRNTXAV-UHFFFAOYSA-N 1 0 454.619 3.647 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306721899 1069459078 /nfs/dbraw/zinc/45/90/78/1069459078.db2.gz CMBJZBPVZOQXRX-RTWAWAEBSA-N 1 0 455.603 3.608 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(CC)C1 ZINC001306723149 1069462410 /nfs/dbraw/zinc/46/24/10/1069462410.db2.gz QHTUBOYROAZLTE-NBGIEHNGSA-N 1 0 469.634 3.585 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001306723660 1069464185 /nfs/dbraw/zinc/46/41/85/1069464185.db2.gz UHBPNTCNDGKZEE-NHCUHLMSSA-N 1 0 482.677 3.521 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(OC)c1 ZINC001306724108 1069464844 /nfs/dbraw/zinc/46/48/44/1069464844.db2.gz XXPHHQNXBDNLDR-JOCHJYFZSA-N 1 0 451.619 3.978 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001306727053 1069471115 /nfs/dbraw/zinc/47/11/15/1069471115.db2.gz CBVVZLWIDGODQC-FYYLOGMGSA-N 1 0 489.686 3.824 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F ZINC001306726486 1069470080 /nfs/dbraw/zinc/47/00/80/1069470080.db2.gz NELVPXUARWADAJ-FPOVZHCZSA-N 1 0 495.640 3.749 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001306727338 1069472236 /nfs/dbraw/zinc/47/22/36/1069472236.db2.gz PUDBENZMJAZEIW-FGZHOGPDSA-N 1 0 490.693 3.884 20 0 JHADRO CCOc1ccccc1Oc1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC001311626316 1069476039 /nfs/dbraw/zinc/47/60/39/1069476039.db2.gz VRMKXVMRHXKAMX-OAQYLSRUSA-N 1 0 454.571 3.526 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC3CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001306729840 1069479667 /nfs/dbraw/zinc/47/96/67/1069479667.db2.gz AVRZDIXFLWZDJH-ZZLPTCMGSA-N 1 0 488.721 3.640 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001306730883 1069483534 /nfs/dbraw/zinc/48/35/34/1069483534.db2.gz ICPLRESPFYNLQW-LEWJYISDSA-N 1 0 482.677 3.521 20 0 JHADRO C[C@@H](CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C[NH+]1CCCCC1 ZINC001311639324 1069484906 /nfs/dbraw/zinc/48/49/06/1069484906.db2.gz YXLSMAODTZIOJH-LZWOXQAQSA-N 1 0 451.247 3.646 20 0 JHADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC001311646233 1069487336 /nfs/dbraw/zinc/48/73/36/1069487336.db2.gz SKNXWZYJGCWNEI-NRFANRHFSA-N 1 0 450.608 3.542 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCSCC2)C1 ZINC001306731793 1069487338 /nfs/dbraw/zinc/48/73/38/1069487338.db2.gz FZJGXUWLOYNFKB-UPVQGACJSA-N 1 0 498.741 3.747 20 0 JHADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001311646559 1069487837 /nfs/dbraw/zinc/48/78/37/1069487837.db2.gz WDQBVEQFMIPSGU-BKMJKUGQSA-N 1 0 458.647 3.982 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CC[NH+]2CCCCC2)C1 ZINC001306732752 1069490663 /nfs/dbraw/zinc/49/06/63/1069490663.db2.gz ILWIUXBLACCFAM-TZIWHRDSSA-N 1 0 487.718 3.641 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306732338 1069489177 /nfs/dbraw/zinc/48/91/77/1069489177.db2.gz HJTOBTHFFGWGTC-STAYPELNSA-N 1 0 495.716 3.906 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001306733400 1069492152 /nfs/dbraw/zinc/49/21/52/1069492152.db2.gz XRYMNBOYDLSBHQ-HSZRJFAPSA-N 1 0 481.693 3.781 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306734117 1069495427 /nfs/dbraw/zinc/49/54/27/1069495427.db2.gz ANDOVELCWMDTMR-PZJWPPBQSA-N 1 0 488.080 3.858 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306733564 1069493897 /nfs/dbraw/zinc/49/38/97/1069493897.db2.gz KLWKNGBIXFPWTC-WXFUMESZSA-N 1 0 495.716 3.906 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001306733931 1069495000 /nfs/dbraw/zinc/49/50/00/1069495000.db2.gz OILXDDBKOBEVQB-FYYLOGMGSA-N 1 0 481.689 3.983 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001306734752 1069497544 /nfs/dbraw/zinc/49/75/44/1069497544.db2.gz PVQXPEUSJDDULS-NJYVYQBISA-N 1 0 455.651 3.669 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001306737978 1069508216 /nfs/dbraw/zinc/50/82/16/1069508216.db2.gz XUEZIPSAKVXWFY-NHCUHLMSSA-N 1 0 469.678 3.916 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)C1 ZINC001311705157 1069511351 /nfs/dbraw/zinc/51/13/51/1069511351.db2.gz PLIKMQLXHYRUJY-ZIFCJYIRSA-N 1 0 459.553 3.843 20 0 JHADRO CN(C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001311708579 1069512626 /nfs/dbraw/zinc/51/26/26/1069512626.db2.gz LZKSRSKRONKQPG-UHFFFAOYSA-N 1 0 454.537 3.871 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CC=CCC2)C1 ZINC001306742318 1069519789 /nfs/dbraw/zinc/51/97/89/1069519789.db2.gz FELFFGDYVVNKEG-FQEVSTJZSA-N 1 0 486.611 3.542 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)NCC1(C2(O)CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001311719656 1069518344 /nfs/dbraw/zinc/51/83/44/1069518344.db2.gz XTTZALFZNYUHOH-IBGZPJMESA-N 1 0 457.537 3.709 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[NH+]2CCCC2)CC1 ZINC001306742156 1069519182 /nfs/dbraw/zinc/51/91/82/1069519182.db2.gz PUBFCGPZPNMGLO-UHFFFAOYSA-N 1 0 489.064 3.836 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306743545 1069522760 /nfs/dbraw/zinc/52/27/60/1069522760.db2.gz JSOXZCGIESRELL-XZOQPEGZSA-N 1 0 495.716 3.907 20 0 JHADRO CCC1([NH+]2CCCC2)CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC001311737820 1069528469 /nfs/dbraw/zinc/52/84/69/1069528469.db2.gz YPKIPESYIMKFOB-UHFFFAOYSA-N 1 0 452.393 3.770 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001306745554 1069528547 /nfs/dbraw/zinc/52/85/47/1069528547.db2.gz RCVSQDJCTPHKKB-HXUWFJFHSA-N 1 0 456.610 3.701 20 0 JHADRO C[C@H]([NH2+]C1(CNC(=O)NCC(C)(C)c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1 ZINC001311730275 1069525079 /nfs/dbraw/zinc/52/50/79/1069525079.db2.gz IWVCOTBBZABDHY-IBGZPJMESA-N 1 0 453.583 3.892 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001306744638 1069525598 /nfs/dbraw/zinc/52/55/98/1069525598.db2.gz LVVPTGKOSOUKTA-HSZRJFAPSA-N 1 0 469.678 3.916 20 0 JHADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC001311765017 1069538147 /nfs/dbraw/zinc/53/81/47/1069538147.db2.gz JHZWUHBSONDUKB-QFIPXVFZSA-N 1 0 456.537 3.946 20 0 JHADRO COc1ccccc1N1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1=O ZINC001311765691 1069538222 /nfs/dbraw/zinc/53/82/22/1069538222.db2.gz ODRPUKMFFHPZKC-JOCHJYFZSA-N 1 0 450.583 3.676 20 0 JHADRO C[C@H](CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1)[N@@H+]1CCc2ccccc2C1 ZINC001311791447 1069547156 /nfs/dbraw/zinc/54/71/56/1069547156.db2.gz JYWVVHIFVNSLLI-XLIONFOSSA-N 1 0 457.416 3.774 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001311792669 1069547596 /nfs/dbraw/zinc/54/75/96/1069547596.db2.gz PQPDUZSDEMKEGM-LJQANCHMSA-N 1 0 458.594 3.975 20 0 JHADRO CCCCOc1ncccc1Cn1c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nnc1C(C)(C)C ZINC001306754978 1069551310 /nfs/dbraw/zinc/55/13/10/1069551310.db2.gz LCRRIHAGRWRCBA-NRFANRHFSA-N 1 0 470.662 3.746 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N[C@H](COC)c2cccc(OC)c2)CC1 ZINC001311822617 1069561638 /nfs/dbraw/zinc/56/16/38/1069561638.db2.gz PTKZHDUNCCNBAL-FDDCHVKYSA-N 1 0 458.578 3.724 20 0 JHADRO CCCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1([NH+](C)C)CCOCC1 ZINC001306769620 1069569058 /nfs/dbraw/zinc/56/90/58/1069569058.db2.gz DVJDRKGCFLNXEC-UHFFFAOYSA-N 1 0 466.424 3.673 20 0 JHADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001311827770 1069564965 /nfs/dbraw/zinc/56/49/65/1069564965.db2.gz RGAKJCUDEZDHEP-SFHVURJKSA-N 1 0 451.409 3.792 20 0 JHADRO CCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306765773 1069567311 /nfs/dbraw/zinc/56/73/11/1069567311.db2.gz SXPYBZYIVOPNCY-CJAUYULYSA-N 1 0 451.619 3.549 20 0 JHADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc[nH]c(=O)c1Br ZINC001306772192 1069570429 /nfs/dbraw/zinc/57/04/29/1069570429.db2.gz QQBLZCDUFVOLED-INIZCTEOSA-N 1 0 456.344 3.754 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(C)C)n2C[C@H](c2cccs2)N2CCOCC2)C1 ZINC001306780360 1069577141 /nfs/dbraw/zinc/57/71/41/1069577141.db2.gz MZKHOPKQLSXVGW-LEWJYISDSA-N 1 0 460.692 3.705 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)C1 ZINC001306780366 1069577229 /nfs/dbraw/zinc/57/72/29/1069577229.db2.gz MZKHOPKQLSXVGW-SFTDATJTSA-N 1 0 460.692 3.705 20 0 JHADRO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001306781067 1069578451 /nfs/dbraw/zinc/57/84/51/1069578451.db2.gz KZVFGWRKHOXEMN-HXUWFJFHSA-N 1 0 475.707 3.903 20 0 JHADRO CCC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1)C(=O)N1CCc2sccc2C1 ZINC001311856801 1069582851 /nfs/dbraw/zinc/58/28/51/1069582851.db2.gz DGHUTXFRPTXKCX-YADHBBJMSA-N 1 0 454.640 3.684 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2C(F)(F)F)C1 ZINC001306781305 1069579519 /nfs/dbraw/zinc/57/95/19/1069579519.db2.gz FLIBISRKCAHCRX-IBGZPJMESA-N 1 0 492.590 3.944 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nc(C(C)(C)C)cs2)C1 ZINC001306781826 1069580045 /nfs/dbraw/zinc/58/00/45/1069580045.db2.gz BVQUGPQGUGAUMD-QGZVFWFLSA-N 1 0 456.664 3.649 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccn3C)n2Cc2nc(C(F)(F)F)cs2)C1 ZINC001306782345 1069580588 /nfs/dbraw/zinc/58/05/88/1069580588.db2.gz CYQGIASOSPXOSG-OAHLLOKOSA-N 1 0 467.565 3.975 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2ccnc(C(C)(C)C)n2)C1 ZINC001306782920 1069581851 /nfs/dbraw/zinc/58/18/51/1069581851.db2.gz HAHFAKRZFMRYJG-FQEVSTJZSA-N 1 0 479.677 3.567 20 0 JHADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001311869979 1069588369 /nfs/dbraw/zinc/58/83/69/1069588369.db2.gz BXEHTSCNLIMXSX-FGZHOGPDSA-N 1 0 458.965 3.938 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001306784916 1069585228 /nfs/dbraw/zinc/58/52/28/1069585228.db2.gz MVJMQBLVOVJNJS-OAQYLSRUSA-N 1 0 482.673 3.770 20 0 JHADRO CC(C)C[C@H](C)Oc1cc(CNC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)ccn1 ZINC001311863283 1069586470 /nfs/dbraw/zinc/58/64/70/1069586470.db2.gz YFIQJTMLZIPPMJ-NRFANRHFSA-N 1 0 453.631 3.642 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@](C)(O)CC)C1 ZINC001306785780 1069587397 /nfs/dbraw/zinc/58/73/97/1069587397.db2.gz XJSDDNGXGFLQKN-CLOONOSVSA-N 1 0 452.603 3.929 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 ZINC001306786412 1069588761 /nfs/dbraw/zinc/58/87/61/1069588761.db2.gz VAOYNUPKXLXMER-HNNXBMFYSA-N 1 0 496.969 3.962 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C1 ZINC001306785835 1069587916 /nfs/dbraw/zinc/58/79/16/1069587916.db2.gz QVXOVMIDJODWHR-BJKOFHAPSA-N 1 0 466.674 3.934 20 0 JHADRO CN(C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001311866477 1069587999 /nfs/dbraw/zinc/58/79/99/1069587999.db2.gz XVTSJKSALRQGMJ-CCDWMCETSA-N 1 0 450.627 3.863 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 ZINC001306786423 1069589228 /nfs/dbraw/zinc/58/92/28/1069589228.db2.gz VFTAIDGQCAKDDS-CQSZACIVSA-N 1 0 484.958 3.895 20 0 JHADRO Cc1ccc(CN(CCc2ccccc2)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)s1 ZINC001311871545 1069589558 /nfs/dbraw/zinc/58/95/58/1069589558.db2.gz DOZDJJFJXTWAPI-UHFFFAOYSA-N 1 0 456.656 3.754 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 ZINC001306787897 1069592126 /nfs/dbraw/zinc/59/21/26/1069592126.db2.gz FFXRYNTZSKLHKK-WATLYSKOSA-N 1 0 473.687 3.587 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CC(C)C)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001306787691 1069592292 /nfs/dbraw/zinc/59/22/92/1069592292.db2.gz GZEKDMRBJUZWLD-IBGZPJMESA-N 1 0 450.672 3.948 20 0 JHADRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)NCc1cnn(CC(F)(F)F)c1 ZINC001311877932 1069592807 /nfs/dbraw/zinc/59/28/07/1069592807.db2.gz ARFLYFVBVMCPJN-UHFFFAOYSA-N 1 0 451.537 3.980 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCSC2)C1 ZINC001306788175 1069593172 /nfs/dbraw/zinc/59/31/72/1069593172.db2.gz HJDSKJXQXMPHTH-BWKNWUBXSA-N 1 0 473.687 3.510 20 0 JHADRO C[NH+](C)CCCOc1ccc(CNC(=O)NCc2cc(NC(=O)OC(C)(C)C)ccn2)cc1 ZINC001311880122 1069594017 /nfs/dbraw/zinc/59/40/17/1069594017.db2.gz BAOXJQNDYURYCF-UHFFFAOYSA-N 1 0 457.575 3.759 20 0 JHADRO C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)cc1 ZINC001311881582 1069594525 /nfs/dbraw/zinc/59/45/25/1069594525.db2.gz UUWMCSFCUUMZBQ-FGZHOGPDSA-N 1 0 476.415 3.797 20 0 JHADRO C[NH+](C)CCCOc1ccc(CNC(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001311881921 1069594970 /nfs/dbraw/zinc/59/49/70/1069594970.db2.gz XUARZVGKOLMTQO-UHFFFAOYSA-N 1 0 450.505 3.724 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOC(C)C)C1 ZINC001306789675 1069595397 /nfs/dbraw/zinc/59/53/97/1069595397.db2.gz QZQOYNPCTGAGNG-RTWAWAEBSA-N 1 0 478.682 3.943 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOC(C)C)C1 ZINC001306789677 1069595428 /nfs/dbraw/zinc/59/54/28/1069595428.db2.gz QZQOYNPCTGAGNG-SFTDATJTSA-N 1 0 478.682 3.943 20 0 JHADRO CCCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001306791046 1069597550 /nfs/dbraw/zinc/59/75/50/1069597550.db2.gz FFLXQWJZCKFDKN-RTBURBONSA-N 1 0 457.619 3.840 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCS(=O)(=O)CC1 ZINC001306798099 1069603532 /nfs/dbraw/zinc/60/35/32/1069603532.db2.gz NEMTWZCIIRJDQE-UHFFFAOYSA-N 1 0 482.075 3.780 20 0 JHADRO C[C@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)Sc1ccc(Br)cc1 ZINC001311891450 1069600402 /nfs/dbraw/zinc/60/04/02/1069600402.db2.gz NAUAXAAPGOTPKN-MRXNPFEDSA-N 1 0 456.450 3.684 20 0 JHADRO CCO[C@]1(c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCC[N@H+](C)Cc2ccccc2)CCOC1 ZINC001314146800 1069600626 /nfs/dbraw/zinc/60/06/26/1069600626.db2.gz XSPHTFYZMROGJP-BPYKYCOYSA-N 1 0 473.687 3.783 20 0 JHADRO CCCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001306797024 1069602198 /nfs/dbraw/zinc/60/21/98/1069602198.db2.gz SKZGIVSQDRVOKB-QFIPXVFZSA-N 1 0 457.619 3.916 20 0 JHADRO CCCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001306800470 1069605717 /nfs/dbraw/zinc/60/57/17/1069605717.db2.gz AYZHJKQZXCHLMW-NJYVYQBISA-N 1 0 478.682 3.786 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1c(C)noc1C ZINC001306802046 1069607383 /nfs/dbraw/zinc/60/73/83/1069607383.db2.gz FOMVEBOBJHEDBM-JOCHJYFZSA-N 1 0 454.575 3.764 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(OC)C1 ZINC001306803417 1069611626 /nfs/dbraw/zinc/61/16/26/1069611626.db2.gz WSAPWGUAHRXZTB-FQEVSTJZSA-N 1 0 453.429 3.773 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001306803290 1069611637 /nfs/dbraw/zinc/61/16/37/1069611637.db2.gz VMQDTEOYHGAFJE-UXHICEINSA-N 1 0 489.462 3.687 20 0 JHADRO CCOC1(Cn2c(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)nnc2C(C)(C)C)CCCC1 ZINC001314152329 1069616244 /nfs/dbraw/zinc/61/62/44/1069616244.db2.gz RVFMEOJCPAIGER-FGZHOGPDSA-N 1 0 460.711 3.920 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001306805751 1069617167 /nfs/dbraw/zinc/61/71/67/1069617167.db2.gz XOKRDETUXQEQDG-HXUWFJFHSA-N 1 0 481.645 3.884 20 0 JHADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@H]3CCCc4ccc(Cl)cc43)c2)C1 ZINC001311928329 1069617383 /nfs/dbraw/zinc/61/73/83/1069617383.db2.gz QZACPMSXATXJDD-REWPJTCUSA-N 1 0 455.002 3.914 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001306806203 1069617980 /nfs/dbraw/zinc/61/79/80/1069617980.db2.gz IIRLWCCTROBMHB-UHFFFAOYSA-N 1 0 469.584 3.601 20 0 JHADRO CCC[N@H+](CC)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001306806477 1069618723 /nfs/dbraw/zinc/61/87/23/1069618723.db2.gz LPYXWHXTDZFLKZ-MHZLTWQESA-N 1 0 485.673 3.980 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001306807080 1069620791 /nfs/dbraw/zinc/62/07/91/1069620791.db2.gz NUEYDEJXNLXIGD-QFIPXVFZSA-N 1 0 451.619 3.933 20 0 JHADRO CCO[C@@]1(c2nnc(N3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001314154305 1069622912 /nfs/dbraw/zinc/62/29/12/1069622912.db2.gz YZSUPQIDKNJGGW-SNOBZRMMSA-N 1 0 489.636 3.624 20 0 JHADRO CCC[N@H+](CC)CCn1c(N2CCc3cccc(F)c3[C@@H]2C)nnc1[C@]1(OCC)CCOC1 ZINC001306808026 1069623623 /nfs/dbraw/zinc/62/36/23/1069623623.db2.gz FQBHHYXSIIDYDW-DFBJGRDBSA-N 1 0 459.610 3.925 20 0 JHADRO CCCN(Cc1ccc(F)cc1C)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCC1 ZINC001306808115 1069624248 /nfs/dbraw/zinc/62/42/48/1069624248.db2.gz FLPSVCFCWRAFBV-QFIPXVFZSA-N 1 0 456.610 3.968 20 0 JHADRO CCOc1cc(C)ccc1Cn1c(Cc2ccsc2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001314157162 1069630893 /nfs/dbraw/zinc/63/08/93/1069630893.db2.gz AMTGJNJVZZFWNJ-FQEVSTJZSA-N 1 0 469.655 3.843 20 0 JHADRO CCOc1cc(C)ccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001314158293 1069635260 /nfs/dbraw/zinc/63/52/60/1069635260.db2.gz VYZDPZAPEQEKHY-UHFFFAOYSA-N 1 0 470.662 3.872 20 0 JHADRO CCOc1cc(Cn2c(-c3ccccn3)nnc2N2CC[N@H+](CC)[C@H](C)C2)ccc1OC(F)F ZINC001314158986 1069638541 /nfs/dbraw/zinc/63/85/41/1069638541.db2.gz ATRKUKKIBREEAL-QGZVFWFLSA-N 1 0 472.540 3.919 20 0 JHADRO CCCN(CC1CC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001306816758 1069638895 /nfs/dbraw/zinc/63/88/95/1069638895.db2.gz LPJZHAQEQGSYCV-YMPZKCBVSA-N 1 0 460.711 3.849 20 0 JHADRO COc1ccccc1[C@@](N)(C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)C(F)(F)F ZINC001306822921 1069643905 /nfs/dbraw/zinc/64/39/05/1069643905.db2.gz VFWDEBTXUQOPEW-JOCHJYFZSA-N 1 0 450.505 3.581 20 0 JHADRO CCOc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3C[C@@]3([NH+](C)C)CCC[C@H](C)C3)CC2)n1 ZINC001314160884 1069645968 /nfs/dbraw/zinc/64/59/68/1069645968.db2.gz YTCJUUVVGZKPEN-RXFWQSSRSA-N 1 0 484.693 3.736 20 0 JHADRO O=C(COc1ccc(I)cc1)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001306831647 1069649094 /nfs/dbraw/zinc/64/90/94/1069649094.db2.gz UARFBNUFFYNCMT-UHFFFAOYSA-N 1 0 456.368 3.833 20 0 JHADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCC2(c3ccc(Br)s3)CCC2)CC1 ZINC001311976602 1069647048 /nfs/dbraw/zinc/64/70/48/1069647048.db2.gz QKADZRUOFMHELF-MRXNPFEDSA-N 1 0 457.482 3.505 20 0 JHADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)Nc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cc1 ZINC001306842139 1069655655 /nfs/dbraw/zinc/65/56/55/1069655655.db2.gz LPKLTUUXAWNXBR-OFVILXPXSA-N 1 0 450.539 3.598 20 0 JHADRO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001311994443 1069656965 /nfs/dbraw/zinc/65/69/65/1069656965.db2.gz QCDXRZOJZXZPPL-KRWDZBQOSA-N 1 0 459.472 3.770 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC001314165965 1069663751 /nfs/dbraw/zinc/66/37/51/1069663751.db2.gz HLTKKIYLCHDZKI-NRFANRHFSA-N 1 0 487.645 3.672 20 0 JHADRO 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CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001307056580 1069828643 /nfs/dbraw/zinc/82/86/43/1069828643.db2.gz BRLXBHFUZRMALB-QHCPKHFHSA-N 1 0 482.673 3.830 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCN1CCOCC1 ZINC001307056688 1069827616 /nfs/dbraw/zinc/82/76/16/1069827616.db2.gz FCJLAHQIJBXXQT-QHCPKHFHSA-N 1 0 475.081 3.555 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(NC(C)=O)CC1 ZINC001307056604 1069828847 /nfs/dbraw/zinc/82/88/47/1069828847.db2.gz USWRLJGFEVKJHA-UGKGYDQZSA-N 1 0 486.636 3.927 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSCC1 ZINC001307057147 1069829306 /nfs/dbraw/zinc/82/93/06/1069829306.db2.gz WIDVJFBSPYUMIN-MRXNPFEDSA-N 1 0 453.454 3.853 20 0 JHADRO CCOc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[N@H+](CC)[C@H](C)C2)c1OC(F)F ZINC001314209845 1069829544 /nfs/dbraw/zinc/82/95/44/1069829544.db2.gz JWXFLFVBFXKXFI-IEBWSBKVSA-N 1 0 479.572 3.751 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001307056993 1069830669 /nfs/dbraw/zinc/83/06/69/1069830669.db2.gz UKLNBEFLEQESCD-PKTZIBPZSA-N 1 0 498.672 3.940 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001307057879 1069836042 /nfs/dbraw/zinc/83/60/42/1069836042.db2.gz GKLKBWLKMJSISQ-PXNSSMCTSA-N 1 0 499.651 3.971 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001307057922 1069837133 /nfs/dbraw/zinc/83/71/33/1069837133.db2.gz GSJCKEDPOYRAAB-OHWKKVTOSA-N 1 0 480.682 3.902 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001307058146 1069838348 /nfs/dbraw/zinc/83/83/48/1069838348.db2.gz JGASAMNZDROTDB-QHCPKHFHSA-N 1 0 495.697 3.894 20 0 JHADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC(C(=O)Nc3nncs3)CC2)c1 ZINC001312289262 1069840448 /nfs/dbraw/zinc/84/04/48/1069840448.db2.gz BRADKMMYJRGDJA-UHFFFAOYSA-N 1 0 458.632 3.720 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC001307058299 1069838500 /nfs/dbraw/zinc/83/85/00/1069838500.db2.gz YJOAVGZCRDLKAD-GOSISDBHSA-N 1 0 479.572 3.751 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001307059230 1069843296 /nfs/dbraw/zinc/84/32/96/1069843296.db2.gz URJNCMBMLJBUDZ-RTWAWAEBSA-N 1 0 488.627 3.764 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)C3CCCCC3)CC2)n1 ZINC001314214685 1069844532 /nfs/dbraw/zinc/84/45/32/1069844532.db2.gz XVZKCVJUHRXYGH-UHFFFAOYSA-N 1 0 469.678 3.960 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC001307059729 1069846687 /nfs/dbraw/zinc/84/66/87/1069846687.db2.gz ZKCHFHLPGSZNQR-YADHBBJMSA-N 1 0 457.667 3.542 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(C)o3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1=O ZINC001307060679 1069851072 /nfs/dbraw/zinc/85/10/72/1069851072.db2.gz BQXAACBCYHDQHI-WOJBJXKFSA-N 1 0 456.635 3.663 20 0 JHADRO 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CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001307065536 1069871875 /nfs/dbraw/zinc/87/18/75/1069871875.db2.gz FVDVNELIAQJLIP-RQSLGCGOSA-N 1 0 459.660 3.768 20 0 JHADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC001312337137 1069872399 /nfs/dbraw/zinc/87/23/99/1069872399.db2.gz QREONNKFDYPWCT-QVKFZJNVSA-N 1 0 459.953 3.504 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccccc3)n2CCCC[NH+]2CCC(C)CC2)CC1=O ZINC001307066030 1069873069 /nfs/dbraw/zinc/87/30/69/1069873069.db2.gz ITMLQBUERNIVLD-UHFFFAOYSA-N 1 0 452.647 3.906 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(CC(=O)NC)CC1 ZINC001307066462 1069875192 /nfs/dbraw/zinc/87/51/92/1069875192.db2.gz HTGRKAQDLMWMQE-OAQYLSRUSA-N 1 0 486.636 3.613 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCCOCC1 ZINC001307067992 1069879452 /nfs/dbraw/zinc/87/94/52/1069879452.db2.gz NQUVZSFKSVQYER-OAQYLSRUSA-N 1 0 457.619 3.747 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1C(C)(C)C ZINC001307069406 1069882249 /nfs/dbraw/zinc/88/22/49/1069882249.db2.gz TUNRKMDFKSMCNC-GOSISDBHSA-N 1 0 474.679 3.547 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCSC[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001307069353 1069882189 /nfs/dbraw/zinc/88/21/89/1069882189.db2.gz SNIXZEZFEAHKNI-TXTKFYIRSA-N 1 0 451.681 3.525 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC[NH+]1CCCCCC1 ZINC001314222645 1069877540 /nfs/dbraw/zinc/87/75/40/1069877540.db2.gz MZXYOZHASXNCFJ-XUZZJYLKSA-N 1 0 471.646 3.993 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@H](OC)C2)n1CC[NH+]1CCCCCC1 ZINC001314222646 1069877581 /nfs/dbraw/zinc/87/75/81/1069877581.db2.gz MZXYOZHASXNCFJ-ZJSXRUAMSA-N 1 0 471.646 3.993 20 0 JHADRO COCC[NH+](CCOC)C1CCN(C(=O)NCCn2c3ccccc3c3ccccc32)CC1 ZINC001312358648 1069885840 /nfs/dbraw/zinc/88/58/40/1069885840.db2.gz YXIWOOGQDDBVLR-UHFFFAOYSA-N 1 0 452.599 3.563 20 0 JHADRO 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20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(CCc3ccccc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC001314248339 1069970060 /nfs/dbraw/zinc/97/00/60/1069970060.db2.gz DEEYCPDBFYSETQ-DNQXCXABSA-N 1 0 482.717 3.729 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2CCC(C)CC2)C1(C)C ZINC001314248818 1069972276 /nfs/dbraw/zinc/97/22/76/1069972276.db2.gz IPPODKXIMKBNJP-XZOQPEGZSA-N 1 0 471.694 3.902 20 0 JHADRO CC[C@@H](OCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 ZINC001307424254 1069977674 /nfs/dbraw/zinc/97/76/74/1069977674.db2.gz KRXUSNBLMRKDMR-DHIUTWEWSA-N 1 0 459.631 3.946 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001307432027 1069982423 /nfs/dbraw/zinc/98/24/23/1069982423.db2.gz SQECFWYHIRANOO-ROUUACIJSA-N 1 0 456.612 3.956 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC001314252129 1069981127 /nfs/dbraw/zinc/98/11/27/1069981127.db2.gz QCWSONWGTGJTKD-RJGXRXQPSA-N 1 0 471.694 3.900 20 0 JHADRO CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H](C)c2ccc(Br)cc2OC)CC1 ZINC001312512767 1069981616 /nfs/dbraw/zinc/98/16/16/1069981616.db2.gz UTOIDXRUSREPGP-MRXNPFEDSA-N 1 0 454.409 3.805 20 0 JHADRO Cc1cccc(Cl)c1NC(=O)[C@H](C)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001307439364 1069984843 /nfs/dbraw/zinc/98/48/43/1069984843.db2.gz XBKRVNITXSYFBD-LEWJYISDSA-N 1 0 456.034 3.905 20 0 JHADRO CCOC(=O)c1csc(CCNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC001312516798 1069984932 /nfs/dbraw/zinc/98/49/32/1069984932.db2.gz MTXFSWGHLVPTCM-XMMPIXPASA-N 1 0 456.612 3.560 20 0 JHADRO C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001312518026 1069985538 /nfs/dbraw/zinc/98/55/38/1069985538.db2.gz SQAWUCASCAHNKM-DHIUTWEWSA-N 1 0 458.647 3.969 20 0 JHADRO O=C(OCc1ccccc1)N1CCC[C@@](O)(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)C1 ZINC001307441656 1069986188 /nfs/dbraw/zinc/98/61/88/1069986188.db2.gz INJWWQFURKWWBD-AOYPEHQESA-N 1 0 456.558 3.970 20 0 JHADRO CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001312524266 1069989871 /nfs/dbraw/zinc/98/98/71/1069989871.db2.gz DSOJZSCKWQEIJC-PJKILVJMSA-N 1 0 456.631 3.843 20 0 JHADRO C[NH+](C)C1(C)CCC(NC(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC001312525626 1069990882 /nfs/dbraw/zinc/99/08/82/1069990882.db2.gz NLYPNXMTJYCJPV-UHFFFAOYSA-N 1 0 454.537 3.872 20 0 JHADRO CCN(CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001307450752 1069990914 /nfs/dbraw/zinc/99/09/14/1069990914.db2.gz SEQWLVQLOZAINZ-YKSBVNFPSA-N 1 0 457.640 3.966 20 0 JHADRO CCO[C@H]1C[C@@H](N(C)c2nnc(CC3CCCC3)n2CC2(O)CC[NH+](C(C)C)CC2)C1(C)C ZINC001314258818 1069996408 /nfs/dbraw/zinc/99/64/08/1069996408.db2.gz ZSPIJNOFQUIBER-YADHBBJMSA-N 1 0 461.695 3.886 20 0 JHADRO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1CCCC[C@H]1C(C)C ZINC001307471709 1070004423 /nfs/dbraw/zinc/00/44/23/1070004423.db2.gz FKEITCRMNLIIIA-NRFANRHFSA-N 1 0 451.633 3.709 20 0 JHADRO C[C@@H]1CN(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001312551499 1070008302 /nfs/dbraw/zinc/00/83/02/1070008302.db2.gz ULUGPUPRBIMFJX-MSOLQXFVSA-N 1 0 450.505 3.870 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001312555471 1070011196 /nfs/dbraw/zinc/01/11/96/1070011196.db2.gz HWXQJVYWVSNYCQ-GCJKJVERSA-N 1 0 458.603 3.775 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001314265141 1070011485 /nfs/dbraw/zinc/01/14/85/1070011485.db2.gz JVAGWWFJDLOIGJ-FQEVSTJZSA-N 1 0 457.619 3.842 20 0 JHADRO CC[N@H+](CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001307495938 1070017211 /nfs/dbraw/zinc/01/72/11/1070017211.db2.gz QRBDQYXZLBFYLJ-JOCHJYFZSA-N 1 0 458.530 3.927 20 0 JHADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H]2CC(c3ccc(OC)c(F)c3)=NO2)CC1 ZINC001312570088 1070020636 /nfs/dbraw/zinc/02/06/36/1070020636.db2.gz GWXNJLNGPAPEEE-OFNKIYASSA-N 1 0 454.546 3.806 20 0 JHADRO CN(CC(=O)N(C)Cc1cc(Br)cs1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307498653 1070018529 /nfs/dbraw/zinc/01/85/29/1070018529.db2.gz UVRWFNBZNXGMSA-SFHVURJKSA-N 1 0 450.446 3.923 20 0 JHADRO CCO[C@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001314267652 1070019316 /nfs/dbraw/zinc/01/93/16/1070019316.db2.gz IMKUFFVGJKBYGS-SFTDATJTSA-N 1 0 488.652 3.589 20 0 JHADRO Cc1ccc(C2=NO[C@@H](CNC(=O)NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)C2)cc1C ZINC001312576054 1070024517 /nfs/dbraw/zinc/02/45/17/1070024517.db2.gz SYFXWFCGNCDBSU-SOAGJPPSSA-N 1 0 452.521 3.901 20 0 JHADRO CO[C@H](C)c1nc(CN2CCC[N@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC001307510157 1070026186 /nfs/dbraw/zinc/02/61/86/1070026186.db2.gz NTEKYBIIQCKQFA-UZLBHIALSA-N 1 0 457.562 3.981 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC001314275030 1070032158 /nfs/dbraw/zinc/03/21/58/1070032158.db2.gz OBTGVAHNLTWUCI-DEOSSOPVSA-N 1 0 469.674 3.877 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001314275771 1070033262 /nfs/dbraw/zinc/03/32/62/1070033262.db2.gz ORGMQSQHHRFQAW-NHCUHLMSSA-N 1 0 482.654 3.578 20 0 JHADRO CCOCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001314279739 1070041304 /nfs/dbraw/zinc/04/13/04/1070041304.db2.gz DZDZAIHRUVCRTH-IBGZPJMESA-N 1 0 462.038 3.820 20 0 JHADRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001312607087 1070041639 /nfs/dbraw/zinc/04/16/39/1070041639.db2.gz CHXUKQWGDFHAKY-LJQANCHMSA-N 1 0 453.425 3.564 20 0 JHADRO CC(C)(C)OC(=O)C1(NCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCCC1 ZINC001307543852 1070044261 /nfs/dbraw/zinc/04/42/61/1070044261.db2.gz GPEVMELKAZVSBU-HXUWFJFHSA-N 1 0 450.023 3.837 20 0 JHADRO CCc1nc2c(s1)[C@@H](N(C)CC(=O)N1CCC[N@H+](Cc3ccc(OC)cc3)CC1)CCC2 ZINC001307545903 1070044940 /nfs/dbraw/zinc/04/49/40/1070044940.db2.gz ZURPIJBDQXTNBC-QFIPXVFZSA-N 1 0 456.656 3.758 20 0 JHADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC001307546851 1070046824 /nfs/dbraw/zinc/04/68/24/1070046824.db2.gz ULEQHRHERZMIFG-HXOBKFHXSA-N 1 0 457.621 3.684 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)CN1CCOc2cc(Br)c(Cl)cc21)c1ccccc1 ZINC001307564657 1070054166 /nfs/dbraw/zinc/05/41/66/1070054166.db2.gz NOLHQHJCWPYLFB-GOSISDBHSA-N 1 0 452.780 3.720 20 0 JHADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[C@H](c4ccc(F)cc4)C3)cc2)CC1 ZINC001312638955 1070057348 /nfs/dbraw/zinc/05/73/48/1070057348.db2.gz BRHUJTFFUPXCPJ-UPVQGACJSA-N 1 0 452.574 3.659 20 0 JHADRO O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC001312645634 1070059790 /nfs/dbraw/zinc/05/97/90/1070059790.db2.gz GHEIHADRZCYLCE-LJQANCHMSA-N 1 0 455.430 3.716 20 0 JHADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cc(C(=O)OC)ccc2C)[C@@H]2CCCC[C@@H]12 ZINC001307576501 1070061314 /nfs/dbraw/zinc/06/13/14/1070061314.db2.gz MRADGZOHLWOHRW-DUZVJDNUSA-N 1 0 457.615 3.904 20 0 JHADRO C[C@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC001312661892 1070069293 /nfs/dbraw/zinc/06/92/93/1070069293.db2.gz UBTPMNZOJUBUKZ-MGPUTAFESA-N 1 0 452.368 3.784 20 0 JHADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001312663170 1070069636 /nfs/dbraw/zinc/06/96/36/1070069636.db2.gz YOJZQYPXUFLPMG-CDXJDZJCSA-N 1 0 453.505 3.744 20 0 JHADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1Cl ZINC001307622003 1070084368 /nfs/dbraw/zinc/08/43/68/1070084368.db2.gz ATUYIRLRSWRJKW-UONOGXRCSA-N 1 0 458.411 3.772 20 0 JHADRO CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)c1ccc(F)cc1F ZINC001307613639 1070082509 /nfs/dbraw/zinc/08/25/09/1070082509.db2.gz QOYCWCMAFKTSAU-VWLOTQADSA-N 1 0 457.565 3.921 20 0 JHADRO CCOCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001314301519 1070085256 /nfs/dbraw/zinc/08/52/56/1070085256.db2.gz PBYYQEOCKPPFCI-FQEVSTJZSA-N 1 0 474.531 3.987 20 0 JHADRO CC(C)(CNC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)CC(F)(F)F ZINC001312700795 1070085696 /nfs/dbraw/zinc/08/56/96/1070085696.db2.gz WGZSBHQDXQFNLO-UHFFFAOYSA-N 1 0 456.553 3.636 20 0 JHADRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH2+]C[C@H]2COc3ccccc3O2)c2ccccc2)c(C)c1 ZINC001307626636 1070087908 /nfs/dbraw/zinc/08/79/08/1070087908.db2.gz LQZPDHOWWYJJQX-FCHUYYIVSA-N 1 0 452.576 3.753 20 0 JHADRO CCOCc1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314302763 1070087948 /nfs/dbraw/zinc/08/79/48/1070087948.db2.gz KMXFBYOPVLSTAL-VXKWHMMOSA-N 1 0 452.603 3.816 20 0 JHADRO COC(=O)CC[N@@H+]1CCN(Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)[C@H](C)C1 ZINC001307630438 1070089460 /nfs/dbraw/zinc/08/94/60/1070089460.db2.gz UDLUXCLEJPDARQ-OAHLLOKOSA-N 1 0 450.992 3.550 20 0 JHADRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC001307629756 1070089660 /nfs/dbraw/zinc/08/96/60/1070089660.db2.gz FEIOQQTUDFUPEP-LJQANCHMSA-N 1 0 459.612 3.938 20 0 JHADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2sccc2C(N)=O)ccc1OCc1ccncc1 ZINC001307631813 1070091048 /nfs/dbraw/zinc/09/10/48/1070091048.db2.gz MMHKQFKVLYQCIK-HUUCEWRRSA-N 1 0 454.552 3.507 20 0 JHADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001307632794 1070091967 /nfs/dbraw/zinc/09/19/67/1070091967.db2.gz YXRIHCGXJXKNCW-MOPGFXCFSA-N 1 0 450.583 3.622 20 0 JHADRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001307632795 1070092395 /nfs/dbraw/zinc/09/23/95/1070092395.db2.gz YXRIHCGXJXKNCW-OALUTQOASA-N 1 0 450.583 3.622 20 0 JHADRO COc1ccccc1C[C@H](C)N(C)C(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC001312715026 1070092374 /nfs/dbraw/zinc/09/23/74/1070092374.db2.gz FKFRHXKEUUJNKG-IBGZPJMESA-N 1 0 452.599 3.891 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)N3CCO[C@](C)(c4ccccc4)C3)CC2)cc1 ZINC001312717256 1070092747 /nfs/dbraw/zinc/09/27/47/1070092747.db2.gz VURYBMOVOBEEKC-SANMLTNESA-N 1 0 450.583 3.567 20 0 JHADRO C[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)c(F)c1 ZINC001307637857 1070093535 /nfs/dbraw/zinc/09/35/35/1070093535.db2.gz TZPUAIZYLYDUIP-INIZCTEOSA-N 1 0 451.539 3.819 20 0 JHADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC001307639633 1070095088 /nfs/dbraw/zinc/09/50/88/1070095088.db2.gz BRWZGRAQMCCRQW-LJQANCHMSA-N 1 0 459.612 3.938 20 0 JHADRO CC(C)(C)OC(=O)NCCCCCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC001307644215 1070098787 /nfs/dbraw/zinc/09/87/87/1070098787.db2.gz PGFCXFNCUXKGBO-UHFFFAOYSA-N 1 0 453.027 3.981 20 0 JHADRO C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1ccc(F)cc1 ZINC001312733847 1070097416 /nfs/dbraw/zinc/09/74/16/1070097416.db2.gz MTCKMQPVJAZVEZ-WIYYLYMNSA-N 1 0 457.500 3.884 20 0 JHADRO CC(C)N(C)C(=O)C1CCN(C(=O)C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC001307642510 1070097537 /nfs/dbraw/zinc/09/75/37/1070097537.db2.gz MQJWDFQUCLJLGS-DEOSSOPVSA-N 1 0 457.565 3.944 20 0 JHADRO CC[C@@H]([NH2+]CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccc(C)cc1 ZINC001307642463 1070098018 /nfs/dbraw/zinc/09/80/18/1070098018.db2.gz ISQXMAOOELXHLS-HSZRJFAPSA-N 1 0 455.624 3.800 20 0 JHADRO C[C@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)[NH+]1CCC(CCC(N)=O)CC1 ZINC001307648310 1070100108 /nfs/dbraw/zinc/10/01/08/1070100108.db2.gz OQMWMLWYFXSXTR-IIBYNOLFSA-N 1 0 456.974 3.977 20 0 JHADRO CCOCc1nnc(N(CC)C[C@H]2COc3ccccc3O2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314316268 1070101575 /nfs/dbraw/zinc/10/15/75/1070101575.db2.gz UHDQRJFPNYOCEY-SFTDATJTSA-N 1 0 457.619 3.601 20 0 JHADRO O=C(NC/C=C/c1ccc(Br)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001312753679 1070104280 /nfs/dbraw/zinc/10/42/80/1070104280.db2.gz AMDAJTKUTZASPU-WVMBANCBSA-N 1 0 458.400 3.645 20 0 JHADRO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC001307653408 1070104609 /nfs/dbraw/zinc/10/46/09/1070104609.db2.gz GAPCESADBJUJLX-QUCCMNQESA-N 1 0 458.986 3.949 20 0 JHADRO Cc1csc([C@H](C)[NH2+]CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)n1 ZINC001307658808 1070107270 /nfs/dbraw/zinc/10/72/70/1070107270.db2.gz WJXCQGFBONKDJA-AWEZNQCLSA-N 1 0 457.021 3.569 20 0 JHADRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C[C@H]1[NH+]1CCCC1 ZINC001307661931 1070108885 /nfs/dbraw/zinc/10/88/85/1070108885.db2.gz LDMVINKQZXOIKQ-LDQXTDLNSA-N 1 0 458.653 3.839 20 0 JHADRO COC(=O)COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC001307665183 1070111866 /nfs/dbraw/zinc/11/18/66/1070111866.db2.gz RQQYXUUKGAMIMW-IFXJQAMLSA-N 1 0 452.429 3.593 20 0 JHADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)s1 ZINC001307668373 1070112911 /nfs/dbraw/zinc/11/29/11/1070112911.db2.gz RZQURSCNQRNUSP-ZDUSSCGKSA-N 1 0 450.413 3.985 20 0 JHADRO CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C(=O)NCCCCC[NH+]1CCCC1)C2 ZINC001312775466 1070115328 /nfs/dbraw/zinc/11/53/28/1070115328.db2.gz BTCYBXHSRVCZIS-UHFFFAOYSA-N 1 0 451.637 3.502 20 0 JHADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+](C)CCCNC(=O)C2CCC2)C1=O ZINC001307677943 1070120423 /nfs/dbraw/zinc/12/04/23/1070120423.db2.gz ZFIKSDLEVOINMS-LJQANCHMSA-N 1 0 450.421 3.800 20 0 JHADRO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@H+]([C@@H](C)CO)C1CCCC1 ZINC001307684101 1070123738 /nfs/dbraw/zinc/12/37/38/1070123738.db2.gz KDIIKGZNFNYUSJ-KRWDZBQOSA-N 1 0 455.555 3.520 20 0 JHADRO C[N@H+](C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CC1(O)CCOCC1 ZINC001307683643 1070123785 /nfs/dbraw/zinc/12/37/85/1070123785.db2.gz DUQXBIGGOZCWQM-NRFANRHFSA-N 1 0 454.394 3.934 20 0 JHADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)N1CCN(c2ccccc2F)CC1 ZINC001307686810 1070125514 /nfs/dbraw/zinc/12/55/14/1070125514.db2.gz TXEKZLPLMZYFJL-OAHLLOKOSA-N 1 0 450.352 3.596 20 0 JHADRO O=C(C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1)NC1CCC2(CC1)OCCO2 ZINC001307695976 1070132580 /nfs/dbraw/zinc/13/25/80/1070132580.db2.gz SZVNDGNIQVXQRR-UHFFFAOYSA-N 1 0 456.505 3.598 20 0 JHADRO CCOCc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001314337072 1070132594 /nfs/dbraw/zinc/13/25/94/1070132594.db2.gz SPSHQCKGQHNJAO-VSKRKVRLSA-N 1 0 492.709 3.922 20 0 JHADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(Oc2ccccc2I)CC1 ZINC001312805854 1070133786 /nfs/dbraw/zinc/13/37/86/1070133786.db2.gz HVWYDDCARDEOSK-HNNXBMFYSA-N 1 0 459.372 3.573 20 0 JHADRO COc1cc(OC)cc(N2CCCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)CC2)c1 ZINC001312815052 1070138208 /nfs/dbraw/zinc/13/82/08/1070138208.db2.gz KHBHHSHRLMDMBM-CJFMBICVSA-N 1 0 452.599 3.589 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314340688 1070138597 /nfs/dbraw/zinc/13/85/97/1070138597.db2.gz CJSJFSVBXYXRDS-OALUTQOASA-N 1 0 474.616 3.646 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCN1c2ccccc2C[C@@H]1C ZINC001314341044 1070139344 /nfs/dbraw/zinc/13/93/44/1070139344.db2.gz FBAABZDQNNOHRW-NRFANRHFSA-N 1 0 454.663 3.822 20 0 JHADRO O=C(C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001307710774 1070139438 /nfs/dbraw/zinc/13/94/38/1070139438.db2.gz ODEPZZDXOVSJQZ-UHFFFAOYSA-N 1 0 459.493 3.729 20 0 JHADRO CCOCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1Cc1nccn1C(F)F ZINC001314341791 1070141912 /nfs/dbraw/zinc/14/19/12/1070141912.db2.gz KXMDMBNZHAWQSF-SFHVURJKSA-N 1 0 465.593 3.935 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1OCCC1(C)C ZINC001314341937 1070142591 /nfs/dbraw/zinc/14/25/91/1070142591.db2.gz MISXPPRCCOVRMC-QHCPKHFHSA-N 1 0 455.647 3.978 20 0 JHADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCCN1C(=O)CS/C1=C/C(=O)OC ZINC001307724122 1070148732 /nfs/dbraw/zinc/14/87/32/1070148732.db2.gz FLHNRZZTCLPWST-SKCQWOFPSA-N 1 0 453.402 3.566 20 0 JHADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001312841316 1070150511 /nfs/dbraw/zinc/15/05/11/1070150511.db2.gz OJVYMUBBVMPUQY-DNVJHFABSA-N 1 0 458.647 3.838 20 0 JHADRO CCOCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccc(OC)c(Cl)c1 ZINC001314347747 1070155971 /nfs/dbraw/zinc/15/59/71/1070155971.db2.gz QKQOGDFBTOZRFM-UHFFFAOYSA-N 1 0 491.080 3.520 20 0 JHADRO CCOCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCc1ccc(CC)cc1 ZINC001314347730 1070156038 /nfs/dbraw/zinc/15/60/38/1070156038.db2.gz PULPPVDNKWRUEZ-UHFFFAOYSA-N 1 0 468.690 3.615 20 0 JHADRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(I)cc2)C1 ZINC001307732958 1070156910 /nfs/dbraw/zinc/15/69/10/1070156910.db2.gz SSQXZZKDWIULHX-FDPIWHGQSA-N 1 0 456.368 3.881 20 0 JHADRO CN1c2cc(Br)ccc2N(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC001307735157 1070157743 /nfs/dbraw/zinc/15/77/43/1070157743.db2.gz WMRSRVJLCKJESW-NRFANRHFSA-N 1 0 459.432 3.903 20 0 JHADRO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307744332 1070162340 /nfs/dbraw/zinc/16/23/40/1070162340.db2.gz AMCVTRSVKIFKHR-UXHICEINSA-N 1 0 453.624 3.782 20 0 JHADRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)[C@@H](C)[C@H]1OC ZINC001307746853 1070162947 /nfs/dbraw/zinc/16/29/47/1070162947.db2.gz VNOOQLKSRBXURZ-IPHXSNPTSA-N 1 0 457.537 3.910 20 0 JHADRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307748717 1070164861 /nfs/dbraw/zinc/16/48/61/1070164861.db2.gz PEMCDGODSGZZJA-PMACEKPBSA-N 1 0 453.624 3.735 20 0 JHADRO C[C@H]([NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001307750086 1070165987 /nfs/dbraw/zinc/16/59/87/1070165987.db2.gz WGXOWJBAFCSUIE-KHSSZTOVSA-N 1 0 455.502 3.959 20 0 JHADRO CCOCc1nnc(N2CCC(Oc3ncccc3F)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314351289 1070170832 /nfs/dbraw/zinc/17/08/32/1070170832.db2.gz BMOAAFTZVDUPFE-RTBURBONSA-N 1 0 460.598 3.517 20 0 JHADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)cc1 ZINC001307759813 1070171097 /nfs/dbraw/zinc/17/10/97/1070171097.db2.gz ASQALSDEVKUQDP-DJJJIMSYSA-N 1 0 451.386 3.847 20 0 JHADRO CC(C)(C)OC(=O)C1CCC(O)(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)CC1 ZINC001307760384 1070171691 /nfs/dbraw/zinc/17/16/91/1070171691.db2.gz USVZVBNKHQMRBM-CPXZFZLSSA-N 1 0 458.643 3.853 20 0 JHADRO CCOCc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001314350755 1070168276 /nfs/dbraw/zinc/16/82/76/1070168276.db2.gz CMHAIEWJHCYLPY-JOCHJYFZSA-N 1 0 482.654 3.578 20 0 JHADRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)[C@@H](O)c1ccccc1 ZINC001307755161 1070168656 /nfs/dbraw/zinc/16/86/56/1070168656.db2.gz YCJUNUBLZSALIO-KYNGSXCRSA-N 1 0 452.336 3.966 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001314354089 1070174687 /nfs/dbraw/zinc/17/46/87/1070174687.db2.gz DDMKPFQMKJBRQZ-UHFFFAOYSA-N 1 0 471.646 3.559 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(OC)cc3C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314353888 1070174755 /nfs/dbraw/zinc/17/47/55/1070174755.db2.gz CROIYTISALNRCW-UHFFFAOYSA-N 1 0 457.619 3.517 20 0 JHADRO Cn1c(=O)c2ccccc2nc1C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001307786814 1070181846 /nfs/dbraw/zinc/18/18/46/1070181846.db2.gz JVCXRUQBPIBHDU-MRXNPFEDSA-N 1 0 459.331 3.603 20 0 JHADRO CCOCc1nnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001314359224 1070182034 /nfs/dbraw/zinc/18/20/34/1070182034.db2.gz VIDPLVPABIDLMO-BAGYTPMASA-N 1 0 490.693 3.817 20 0 JHADRO CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)CC2)CC1 ZINC001312925459 1070183560 /nfs/dbraw/zinc/18/35/60/1070183560.db2.gz HODADCOQBWARGP-BAGYTPMASA-N 1 0 464.695 3.579 20 0 JHADRO CCOCc1nnc(N2CCC=C(Br)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001314361053 1070185172 /nfs/dbraw/zinc/18/51/72/1070185172.db2.gz QSZUCZCVCWKFGE-UHFFFAOYSA-N 1 0 460.420 3.948 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001314363021 1070188255 /nfs/dbraw/zinc/18/82/55/1070188255.db2.gz BZHZTROWSXOCTH-NRFANRHFSA-N 1 0 490.693 3.630 20 0 JHADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001307810273 1070193419 /nfs/dbraw/zinc/19/34/19/1070193419.db2.gz ASZHSDQWHABYQP-ZHRRBRCNSA-N 1 0 454.464 3.829 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314365349 1070195152 /nfs/dbraw/zinc/19/51/52/1070195152.db2.gz KEFQJFPWUFNRKV-TXTKFYIRSA-N 1 0 459.610 3.900 20 0 JHADRO COc1ccc(CN2CCN(C(=O)C[N@H+](C)[C@H]3C[C@@H](Oc4ccccc4)C3(C)C)CC2)cc1 ZINC001307820522 1070200451 /nfs/dbraw/zinc/20/04/51/1070200451.db2.gz LCTPANHOLJYIMN-LOSJGSFVSA-N 1 0 451.611 3.517 20 0 JHADRO O=C(C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1)Nc1ccccc1S(=O)(=O)C(F)F ZINC001307825213 1070201779 /nfs/dbraw/zinc/20/17/79/1070201779.db2.gz YSWCLQRZIIJFOA-HXUWFJFHSA-N 1 0 452.523 3.505 20 0 JHADRO CC[N@H+](CCCNC(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F)C1CCCCC1 ZINC001312964718 1070202517 /nfs/dbraw/zinc/20/25/17/1070202517.db2.gz XEKHHZTZAPBKGQ-LJQANCHMSA-N 1 0 454.537 3.851 20 0 JHADRO O=C(CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC001307828409 1070203273 /nfs/dbraw/zinc/20/32/73/1070203273.db2.gz DEVMDRHNDRNPMA-HXUWFJFHSA-N 1 0 457.512 3.545 20 0 JHADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)NC[C@H]2CC[N@@H+]2CC)cc1 ZINC001312987570 1070208558 /nfs/dbraw/zinc/20/85/58/1070208558.db2.gz FFVXQENDIQYVEM-HJNYFJLDSA-N 1 0 460.619 3.572 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314372279 1070209089 /nfs/dbraw/zinc/20/90/89/1070209089.db2.gz OZOJGBJMXNMTLV-HZPDHXFCSA-N 1 0 461.554 3.727 20 0 JHADRO COC(=O)c1ccc(F)c(C[NH+]2CCC([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1 ZINC001307839679 1070207476 /nfs/dbraw/zinc/20/74/76/1070207476.db2.gz KLPUBJFQXGFTOI-CTNGQTDRSA-N 1 0 450.551 3.897 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CC[NH+](CCC(=O)NCC3CCCCC3)CC2)C1 ZINC001307840505 1070208060 /nfs/dbraw/zinc/20/80/60/1070208060.db2.gz RSDQSLHULDGCSH-VXKWHMMOSA-N 1 0 451.652 3.857 20 0 JHADRO CCc1oc(C(=O)OC)cc1C[NH+]1CCC([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001307840272 1070208174 /nfs/dbraw/zinc/20/81/74/1070208174.db2.gz QZRDVPACPVZLGX-AZUAARDMSA-N 1 0 450.576 3.913 20 0 JHADRO CC(C)N(C)c1ccc(NC(=O)CC[N@H+](C)CCCN2C(=O)c3ccccc3C2=O)cc1F ZINC001307863226 1070215739 /nfs/dbraw/zinc/21/57/39/1070215739.db2.gz JJVKIXCRXYCGLX-UHFFFAOYSA-N 1 0 454.546 3.617 20 0 JHADRO CCOCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001314376390 1070216257 /nfs/dbraw/zinc/21/62/57/1070216257.db2.gz ZCJLPNHDXIFCSL-UHFFFAOYSA-N 1 0 469.552 3.862 20 0 JHADRO Cn1cc([C@@H]2C[N@H+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001307865398 1070216743 /nfs/dbraw/zinc/21/67/43/1070216743.db2.gz OXQCXVGNLFRBSE-HLAWJBBLSA-N 1 0 477.650 3.750 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001313013215 1070221507 /nfs/dbraw/zinc/22/15/07/1070221507.db2.gz XRRLYJWJQZDEJA-XMSQKQJNSA-N 1 0 458.603 3.775 20 0 JHADRO O=C(N1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC12CCCCC2)C(F)(F)F ZINC001307886890 1070226178 /nfs/dbraw/zinc/22/61/78/1070226178.db2.gz XQQLFODWWXKSMZ-NRFANRHFSA-N 1 0 453.549 3.687 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC001307885054 1070225203 /nfs/dbraw/zinc/22/52/03/1070225203.db2.gz FPKAXGSZZQCJFU-ZDFPQIBNSA-N 1 0 459.587 3.939 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1CCC[N@H+](C)C(C)C ZINC001314386934 1070234098 /nfs/dbraw/zinc/23/40/98/1070234098.db2.gz CSDNAVUBRNIGAT-UHFFFAOYSA-N 1 0 468.568 3.890 20 0 JHADRO O=C(C[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1)N(Cc1ccccc1)C1CC1 ZINC001307916656 1070239125 /nfs/dbraw/zinc/23/91/25/1070239125.db2.gz HFARWNZAYHHGAG-FPOVZHCZSA-N 1 0 451.533 3.833 20 0 JHADRO O=C(N1CCC[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(CN3CCOCC3)c2)C1)C(F)(F)F ZINC001307917024 1070240284 /nfs/dbraw/zinc/24/02/84/1070240284.db2.gz MYVGKZVEHJSYOW-VXKWHMMOSA-N 1 0 453.549 3.674 20 0 JHADRO CCC1([NH+]2CCCC2)CCN(C(=O)NCCc2ccc(I)cc2)CC1 ZINC001313070150 1070240566 /nfs/dbraw/zinc/24/05/66/1070240566.db2.gz JEJGZBRYLDILJT-UHFFFAOYSA-N 1 0 455.384 3.884 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CCC(=O)N2CCC[C@@H]2C)cc1F ZINC001307920851 1070243413 /nfs/dbraw/zinc/24/34/13/1070243413.db2.gz OHPDNFUMBHCJQV-CUWPLCDZSA-N 1 0 463.594 3.918 20 0 JHADRO CCC1(CC)CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 ZINC001307929545 1070247154 /nfs/dbraw/zinc/24/71/54/1070247154.db2.gz XFDQLPDCICFSFF-UHFFFAOYSA-N 1 0 457.640 3.575 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001314390345 1070243856 /nfs/dbraw/zinc/24/38/56/1070243856.db2.gz KSTPQGJJHYIWQV-MBSDFSHPSA-N 1 0 481.563 3.575 20 0 JHADRO O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC001313085198 1070244739 /nfs/dbraw/zinc/24/47/39/1070244739.db2.gz NSEIUUOFBBTDFN-IBGZPJMESA-N 1 0 458.484 3.916 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](CC(=O)N[C@@H]3CCOc4ccccc43)CC2)C1 ZINC001307923360 1070244866 /nfs/dbraw/zinc/24/48/66/1070244866.db2.gz HMGJJSJSZRDQAA-IFMALSPDSA-N 1 0 457.615 3.986 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001314390650 1070244888 /nfs/dbraw/zinc/24/48/88/1070244888.db2.gz MYASEFHRNJFUBP-UHFFFAOYSA-N 1 0 496.578 3.900 20 0 JHADRO CCOCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H](C)c1ccccc1 ZINC001314394209 1070252203 /nfs/dbraw/zinc/25/22/03/1070252203.db2.gz RDWMDVGNPWHRTN-JOCHJYFZSA-N 1 0 454.663 3.613 20 0 JHADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001313118486 1070256418 /nfs/dbraw/zinc/25/64/18/1070256418.db2.gz ZYHJKVOHCGILDO-FUHWJXTLSA-N 1 0 453.427 3.771 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001313135090 1070264276 /nfs/dbraw/zinc/26/42/76/1070264276.db2.gz CMLAKQJKNFAAGZ-QSAXNBNMSA-N 1 0 456.631 3.843 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001313135265 1070264504 /nfs/dbraw/zinc/26/45/04/1070264504.db2.gz BSIZMHDPTMBJDB-KNQAVFIVSA-N 1 0 455.002 3.576 20 0 JHADRO COc1ccc([C@H](O)C2CCN(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)CC2)cc1 ZINC001313137859 1070266515 /nfs/dbraw/zinc/26/65/15/1070266515.db2.gz MUSRXYNBSKZGRX-ZOSUSCCZSA-N 1 0 451.611 3.918 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccccc3Cl)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314404275 1070266895 /nfs/dbraw/zinc/26/68/95/1070266895.db2.gz QKYUJWLSYUVESG-FPOVZHCZSA-N 1 0 459.978 3.942 20 0 JHADRO CCOCc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001314406998 1070270606 /nfs/dbraw/zinc/27/06/06/1070270606.db2.gz VJPUFACLCYXVIX-HHHXNRCGSA-N 1 0 484.689 3.668 20 0 JHADRO CCOCc1nnc(N2CCSC3(CCOCC3)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314411483 1070277346 /nfs/dbraw/zinc/27/73/46/1070277346.db2.gz AWXGWVMAXNSHGH-UHFFFAOYSA-N 1 0 451.681 3.572 20 0 JHADRO CCOCc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001314414811 1070279759 /nfs/dbraw/zinc/27/97/59/1070279759.db2.gz PXUJORJOHMDRAF-VQIMIIECSA-N 1 0 451.537 3.548 20 0 JHADRO Cc1ccccc1CN1CCO[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC001313175883 1070282300 /nfs/dbraw/zinc/28/23/00/1070282300.db2.gz PXEPBLYYZAAXJU-DEOSSOPVSA-N 1 0 459.034 3.623 20 0 JHADRO COC[C@@H]([NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(Br)c1 ZINC001308019823 1070283340 /nfs/dbraw/zinc/28/33/40/1070283340.db2.gz NSPHYPIPAQAILX-RTBURBONSA-N 1 0 457.409 3.734 20 0 JHADRO COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC001308033231 1070287608 /nfs/dbraw/zinc/28/76/08/1070287608.db2.gz NMGSPJUAMXTGBF-OAHLLOKOSA-N 1 0 450.801 3.999 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314418859 1070288730 /nfs/dbraw/zinc/28/87/30/1070288730.db2.gz LGHCLVDLNWIXSB-BDTNDASRSA-N 1 0 471.646 3.706 20 0 JHADRO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001308041381 1070289854 /nfs/dbraw/zinc/28/98/54/1070289854.db2.gz WJXLDTIAWGAYNN-AWEZNQCLSA-N 1 0 452.386 3.910 20 0 JHADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@@H]2COc3cccc(Br)c3C2)CC1 ZINC001313198403 1070289993 /nfs/dbraw/zinc/28/99/93/1070289993.db2.gz UMAIUHWWVPTMQE-IBGZPJMESA-N 1 0 458.400 3.979 20 0 JHADRO CC(C)(C)OC(=O)N1CC(O)(C[N@@H+](Cc2ccccc2)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC001308047429 1070291656 /nfs/dbraw/zinc/29/16/56/1070291656.db2.gz CJYHUIQPAUHBCI-OALUTQOASA-N 1 0 458.521 3.970 20 0 JHADRO C[C@@H]1C[N@H+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001308052601 1070293935 /nfs/dbraw/zinc/29/39/35/1070293935.db2.gz SZXZWVIJCQESOP-YDIMBITNSA-N 1 0 453.624 3.734 20 0 JHADRO Cc1ccc(Oc2ccc(Cl)cc2CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1C ZINC001313218836 1070295996 /nfs/dbraw/zinc/29/59/96/1070295996.db2.gz IWOSVEBBBOQKEG-UHFFFAOYSA-N 1 0 458.990 3.665 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C[C@H]1C(F)(F)F ZINC001308058721 1070296295 /nfs/dbraw/zinc/29/62/95/1070296295.db2.gz DOYCXFCRBNHARO-BFYDXBDKSA-N 1 0 457.493 3.543 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001314423827 1070300105 /nfs/dbraw/zinc/30/01/05/1070300105.db2.gz ZYCLPERCFDDNNU-GGAORHGYSA-N 1 0 455.647 3.729 20 0 JHADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC001308078214 1070305352 /nfs/dbraw/zinc/30/53/52/1070305352.db2.gz QFENQMVMTIREOI-UUTQCIBDSA-N 1 0 473.397 3.805 20 0 JHADRO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC001308097016 1070309913 /nfs/dbraw/zinc/30/99/13/1070309913.db2.gz AHEIIOSVKKMNOA-XMMPIXPASA-N 1 0 450.564 3.586 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)CN1CCc2cc(Cl)cc(Br)c2C1)c1ccccc1 ZINC001308103497 1070312590 /nfs/dbraw/zinc/31/25/90/1070312590.db2.gz IHPRHUZZVMMOGW-FQEVSTJZSA-N 1 0 450.808 3.880 20 0 JHADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001313289885 1070318334 /nfs/dbraw/zinc/31/83/34/1070318334.db2.gz JLYGTNMXXALAAW-QGZVFWFLSA-N 1 0 458.550 3.635 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)C)C1 ZINC001314431595 1070315162 /nfs/dbraw/zinc/31/51/62/1070315162.db2.gz QXYBFTYQRYLXKI-QHCPKHFHSA-N 1 0 454.663 3.552 20 0 JHADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001308112049 1070317125 /nfs/dbraw/zinc/31/71/25/1070317125.db2.gz ZHEBIPOKAMXGKU-QGZVFWFLSA-N 1 0 454.011 3.865 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001314432562 1070317632 /nfs/dbraw/zinc/31/76/32/1070317632.db2.gz CEYVBBMWSHZVKP-XXBNENTESA-N 1 0 452.578 3.953 20 0 JHADRO CCc1cc2oc(=O)cc(CN3CCC[C@@](CO)(NC(=O)OC(C)(C)C)C3)c2cc1Cl ZINC001308121835 1070321245 /nfs/dbraw/zinc/32/12/45/1070321245.db2.gz OVBBOFLRXXNMNU-HSZRJFAPSA-N 1 0 450.963 3.860 20 0 JHADRO CC(C)(C)OC(=O)N1CC(OC2CC[NH+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC2)C1 ZINC001308125896 1070322731 /nfs/dbraw/zinc/32/27/31/1070322731.db2.gz YVLDVEZBGYQKCR-KRWDZBQOSA-N 1 0 458.521 3.709 20 0 JHADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001308127768 1070323719 /nfs/dbraw/zinc/32/37/19/1070323719.db2.gz AVAHCTKWPODGCS-HUUCEWRRSA-N 1 0 472.449 3.658 20 0 JHADRO CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)C(=O)OC(C)(C)C ZINC001313329589 1070328406 /nfs/dbraw/zinc/32/84/06/1070328406.db2.gz XKKBCHKOEYGKBZ-KRWDZBQOSA-N 1 0 456.425 3.890 20 0 JHADRO C[NH+](C)CCC1CCN(C(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)CC1 ZINC001313315892 1070325267 /nfs/dbraw/zinc/32/52/67/1070325267.db2.gz BGNPWENNEDRBNM-HXUWFJFHSA-N 1 0 450.546 3.692 20 0 JHADRO Cc1cc(I)ccc1NC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001308152109 1070329955 /nfs/dbraw/zinc/32/99/55/1070329955.db2.gz UPXCFHRZJMBKSE-MJGOQNOKSA-N 1 0 455.384 3.733 20 0 JHADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C)C(=O)NC(=O)NC1CCCCC1 ZINC001308171121 1070334938 /nfs/dbraw/zinc/33/49/38/1070334938.db2.gz LRDKGHHEFOQBNS-KANFNMMFSA-N 1 0 450.624 3.547 20 0 JHADRO CCCCNC(=O)C1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC001313365986 1070338499 /nfs/dbraw/zinc/33/84/99/1070338499.db2.gz JDUMRWLCUCBJKQ-IZZNHLLZSA-N 1 0 462.638 3.993 20 0 JHADRO CCOCCC1(Cn2c(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)nnc2C(C)(C)C)CC1 ZINC001314447522 1070340988 /nfs/dbraw/zinc/34/09/88/1070340988.db2.gz GYOYHGSFVRTQOU-UHFFFAOYSA-N 1 0 460.711 3.777 20 0 JHADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)s1 ZINC001308223590 1070342099 /nfs/dbraw/zinc/34/20/99/1070342099.db2.gz WGWZDSMBCUHZKO-UHFFFAOYSA-N 1 0 455.378 3.772 20 0 JHADRO Cn1c2ccc(C[NH2+]C[C@@H](c3ccc(C(F)(F)F)cc3)N3CCOCC3)cc2sc1=O ZINC001308240036 1070344281 /nfs/dbraw/zinc/34/42/81/1070344281.db2.gz CLWPJJFRKJNQQW-IBGZPJMESA-N 1 0 451.514 3.782 20 0 JHADRO COc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)COc2ccc(I)cc2)cc1 ZINC001308244189 1070344586 /nfs/dbraw/zinc/34/45/86/1070344586.db2.gz HXXBLPDBBRBNRE-MAUKXSAKSA-N 1 0 455.336 3.650 20 0 JHADRO Cc1ccc(C(=O)NCC[NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)cc1 ZINC001308247726 1070345428 /nfs/dbraw/zinc/34/54/28/1070345428.db2.gz WVRVPOZBJAFAGQ-UHFFFAOYSA-N 1 0 458.400 3.690 20 0 JHADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c(Oc3ccc(F)cc3)nc3ccccn32)cc1 ZINC001308249442 1070345459 /nfs/dbraw/zinc/34/54/59/1070345459.db2.gz XDWHNGCGAVXXNX-UHFFFAOYSA-N 1 0 454.527 3.642 20 0 JHADRO CC[C@@H](NC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)NCc1cccs1 ZINC001313403595 1070348992 /nfs/dbraw/zinc/34/89/92/1070348992.db2.gz LGKKIQHJUWHKMP-BESBDSHLSA-N 1 0 454.640 3.743 20 0 JHADRO COC(=O)C[C@@H]1CC[C@H](NC(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)C1 ZINC001313391455 1070345841 /nfs/dbraw/zinc/34/58/41/1070345841.db2.gz SKPLCEMLXAQXKP-AEFFLSMTSA-N 1 0 466.420 3.787 20 0 JHADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cn(-c3ccccc3F)nc2C)s1 ZINC001308250434 1070346132 /nfs/dbraw/zinc/34/61/32/1070346132.db2.gz SFEZNTBFPFHLBC-UHFFFAOYSA-N 1 0 450.605 3.744 20 0 JHADRO Fc1ccc(-n2cc(C[NH2+]C[C@H](c3cccc(Cl)c3)N3CCOCC3)nn2)c(Cl)c1 ZINC001308257854 1070346997 /nfs/dbraw/zinc/34/69/97/1070346997.db2.gz VXJRABCVHJZTQC-OAQYLSRUSA-N 1 0 450.345 3.876 20 0 JHADRO Fc1ccc(-n2cc(C[NH2+]C[C@@H](c3cccc(Cl)c3)N3CCOCC3)nn2)c(Cl)c1 ZINC001308257853 1070347097 /nfs/dbraw/zinc/34/70/97/1070347097.db2.gz VXJRABCVHJZTQC-NRFANRHFSA-N 1 0 450.345 3.876 20 0 JHADRO Cc1ccc(C(=O)N2CCN(C(=O)NCC[NH2+]C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC001313397917 1070347708 /nfs/dbraw/zinc/34/77/08/1070347708.db2.gz VTZBCZKNWIXWLM-UHFFFAOYSA-N 1 0 456.590 3.842 20 0 JHADRO CCOCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001314451866 1070350015 /nfs/dbraw/zinc/35/00/15/1070350015.db2.gz SFGLIZFSUHDLKM-FQEVSTJZSA-N 1 0 462.038 3.964 20 0 JHADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC001308280366 1070351486 /nfs/dbraw/zinc/35/14/86/1070351486.db2.gz XRYZKNUAMANDBN-OAHLLOKOSA-N 1 0 455.347 3.746 20 0 JHADRO COc1ccc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1OC1CC1 ZINC001308288435 1070352152 /nfs/dbraw/zinc/35/21/52/1070352152.db2.gz WXYFWXGZBHPCFR-UHFFFAOYSA-N 1 0 450.626 3.805 20 0 JHADRO CC[NH+](CC)CC[C@H](NC(=O)N1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1)c1ccccc1 ZINC001313416051 1070352982 /nfs/dbraw/zinc/35/29/82/1070352982.db2.gz QBBCZWHDUKOTQL-SMIHKQSGSA-N 1 0 451.615 3.674 20 0 JHADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001308298170 1070353703 /nfs/dbraw/zinc/35/37/03/1070353703.db2.gz OJCXFHNKCJSODN-UHFFFAOYSA-N 1 0 452.393 3.571 20 0 JHADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)no1 ZINC001313430217 1070357411 /nfs/dbraw/zinc/35/74/11/1070357411.db2.gz QDLUDEBAOWQSOS-NSHDSACASA-N 1 0 453.387 3.942 20 0 JHADRO CCOCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001314457995 1070358607 /nfs/dbraw/zinc/35/86/07/1070358607.db2.gz VGDHLMRGTOOLNP-SFHVURJKSA-N 1 0 479.572 3.663 20 0 JHADRO O=S(=O)(Cc1ccccc1C[NH2+]Cc1ccccc1OCc1cccnc1)N1CCCC1 ZINC001308333584 1070358847 /nfs/dbraw/zinc/35/88/47/1070358847.db2.gz PQTCUMVXNPWXBJ-UHFFFAOYSA-N 1 0 451.592 3.876 20 0 JHADRO O=C(NC[C@H](Cc1ccccc1)c1ccccn1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001313423591 1070355480 /nfs/dbraw/zinc/35/54/80/1070355480.db2.gz FCXQIEZKKKKSGF-VWLOTQADSA-N 1 0 450.627 3.942 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313446576 1070363820 /nfs/dbraw/zinc/36/38/20/1070363820.db2.gz COZIUTDNGGHBEU-UTKZUKDTSA-N 1 0 489.462 3.639 20 0 JHADRO CSc1cc(Br)ccc1C[NH2+]C[C@H]1CCn2ncc(C(=O)NC(C)C)c2C1 ZINC001308374538 1070363839 /nfs/dbraw/zinc/36/38/39/1070363839.db2.gz MVRHRCHMOFXTEL-AWEZNQCLSA-N 1 0 451.434 3.858 20 0 JHADRO CC1(c2cccc(Br)c2)CCC([NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001308346456 1070360064 /nfs/dbraw/zinc/36/00/64/1070360064.db2.gz HYPJPDFIMWJNNJ-KWJLTHHISA-N 1 0 456.446 3.975 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313446794 1070364488 /nfs/dbraw/zinc/36/44/88/1070364488.db2.gz FSHNQFAQHYALKW-UXHICEINSA-N 1 0 469.634 3.660 20 0 JHADRO CCOc1cc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc(Br)c1OCC(=O)N(C)C ZINC001308369502 1070362265 /nfs/dbraw/zinc/36/22/65/1070362265.db2.gz NTRSJZGGBRWGDW-HOTGVXAUSA-N 1 0 457.409 3.610 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC(=O)NC(C)C ZINC001313447165 1070366390 /nfs/dbraw/zinc/36/63/90/1070366390.db2.gz JLAWRKWXBGZSFR-KRWDZBQOSA-N 1 0 477.451 3.543 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)CC(F)(F)F ZINC001313447477 1070367467 /nfs/dbraw/zinc/36/74/67/1070367467.db2.gz KCGAYUYKDBOJKP-INIZCTEOSA-N 1 0 471.524 3.844 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001313448020 1070369720 /nfs/dbraw/zinc/36/97/20/1070369720.db2.gz OAIRYGFOEDYSNM-URVUXULASA-N 1 0 488.702 3.552 20 0 JHADRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1OC(F)F ZINC001308402168 1070370110 /nfs/dbraw/zinc/37/01/10/1070370110.db2.gz UDRRTTLZXKGDGW-SWLSCSKDSA-N 1 0 455.365 3.557 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1ccccc1F ZINC001313448277 1070370317 /nfs/dbraw/zinc/37/03/17/1070370317.db2.gz MVBWUDIGQYRLMD-FQEVSTJZSA-N 1 0 465.577 3.618 20 0 JHADRO COc1ccc([C@H](C[NH+](C)C)NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 ZINC001308400479 1070370417 /nfs/dbraw/zinc/37/04/17/1070370417.db2.gz AZZKNLNUFMSGEQ-QFIPXVFZSA-N 1 0 458.603 3.738 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001313449796 1070375204 /nfs/dbraw/zinc/37/52/04/1070375204.db2.gz ZTOLWYKGWRJAOF-HFSMHLIXSA-N 1 0 496.077 3.569 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001313449120 1070374151 /nfs/dbraw/zinc/37/41/51/1070374151.db2.gz VFZRJEOAEUQALJ-OALUTQOASA-N 1 0 458.582 3.674 20 0 JHADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2cccnc2C)CC1 ZINC001308427185 1070374259 /nfs/dbraw/zinc/37/42/59/1070374259.db2.gz TZUBMOCMFDDTRM-INIZCTEOSA-N 1 0 459.388 3.682 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCO1 ZINC001313449809 1070375629 /nfs/dbraw/zinc/37/56/29/1070375629.db2.gz JUEFFUVHLCIYTH-BHIFYINESA-N 1 0 490.693 3.882 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001313450111 1070376962 /nfs/dbraw/zinc/37/69/62/1070376962.db2.gz JOVUNRGLKIMUHY-IBGZPJMESA-N 1 0 460.026 3.618 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cc2ccccc2o1 ZINC001313450287 1070377035 /nfs/dbraw/zinc/37/70/35/1070377035.db2.gz WAJYOJIRNBZUSN-NSHGMRRFSA-N 1 0 488.658 3.706 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001313451916 1070380909 /nfs/dbraw/zinc/38/09/09/1070380909.db2.gz CBDUCWQTJAWVIO-RXVVDRJESA-N 1 0 457.541 3.503 20 0 JHADRO O=C(OCc1ccccc1)[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC001308497653 1070381958 /nfs/dbraw/zinc/38/19/58/1070381958.db2.gz DCVSGTCBEKBXRY-XUTJKUGGSA-N 1 0 459.384 3.897 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSCC1 ZINC001313452149 1070381906 /nfs/dbraw/zinc/38/19/06/1070381906.db2.gz GGUQGKYRHHRSAM-OALUTQOASA-N 1 0 464.680 3.778 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313452234 1070382219 /nfs/dbraw/zinc/38/22/19/1070382219.db2.gz JDIOALUVOJBSOB-RTWAWAEBSA-N 1 0 460.667 3.989 20 0 JHADRO CCOCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314471797 1070382097 /nfs/dbraw/zinc/38/20/97/1070382097.db2.gz CJFVDZGWWDGGNR-PLACYPQZSA-N 1 0 465.683 3.557 20 0 JHADRO CCn1c(Br)c(Br)nc1C[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC001308509740 1070383860 /nfs/dbraw/zinc/38/38/60/1070383860.db2.gz GOZIFIDSASKVPW-LLVKDONJSA-N 1 0 451.590 3.947 20 0 JHADRO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]CC3(S(=O)(=O)NC(C)(C)C)CCC3)cc12 ZINC001308518776 1070384999 /nfs/dbraw/zinc/38/49/99/1070384999.db2.gz AEZRBJDHSXJYKZ-UHFFFAOYSA-N 1 0 456.056 3.878 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001313453387 1070386198 /nfs/dbraw/zinc/38/61/98/1070386198.db2.gz RFEMVQJUVNXKIP-RTWAWAEBSA-N 1 0 488.608 3.586 20 0 JHADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC ZINC001308534741 1070387056 /nfs/dbraw/zinc/38/70/56/1070387056.db2.gz CAIARTIGXCJOQI-IEBWSBKVSA-N 1 0 473.408 3.588 20 0 JHADRO CCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001314478295 1070388883 /nfs/dbraw/zinc/38/88/83/1070388883.db2.gz DXWFDWPZWNCKQP-KRWDZBQOSA-N 1 0 450.425 3.912 20 0 JHADRO CCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001314484389 1070396943 /nfs/dbraw/zinc/39/69/43/1070396943.db2.gz WXAFTKVOEYBUJR-UHFFFAOYSA-N 1 0 468.429 3.837 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001313457983 1070400736 /nfs/dbraw/zinc/40/07/36/1070400736.db2.gz QVWXWGWNRJFBKW-PZJWPPBQSA-N 1 0 458.626 3.760 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001313458325 1070402288 /nfs/dbraw/zinc/40/22/88/1070402288.db2.gz BBWKGDMBZLKAAO-FQEVSTJZSA-N 1 0 459.038 3.827 20 0 JHADRO CCOCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001314490860 1070403029 /nfs/dbraw/zinc/40/30/29/1070403029.db2.gz DXCRDESHHOIUML-JOCHJYFZSA-N 1 0 454.663 3.552 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001313459327 1070405946 /nfs/dbraw/zinc/40/59/46/1070405946.db2.gz HNCWMVNHVZZJMP-IRXDYDNUSA-N 1 0 477.028 3.963 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C[C@H]1CC ZINC001314494539 1070409818 /nfs/dbraw/zinc/40/98/18/1070409818.db2.gz RLRUJSKUSPZQTC-HYBUGGRVSA-N 1 0 497.606 3.963 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@@H]1CC ZINC001314494540 1070410154 /nfs/dbraw/zinc/41/01/54/1070410154.db2.gz RLRUJSKUSPZQTC-RDPSFJRHSA-N 1 0 497.606 3.963 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH+]2CCN(c3cc(C)ccc3C)CC2)cnn1C ZINC001308648250 1070409255 /nfs/dbraw/zinc/40/92/55/1070409255.db2.gz GHRDKDUZUBVQQI-JOCHJYFZSA-N 1 0 455.647 3.851 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(Br)n2)C[C@@H]1CC ZINC001314494115 1070409348 /nfs/dbraw/zinc/40/93/48/1070409348.db2.gz NEBPCUDSUUNGJS-SFHVURJKSA-N 1 0 479.467 3.719 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)c2ccccn2)C[C@H]1CC ZINC001314495516 1070413674 /nfs/dbraw/zinc/41/36/74/1070413674.db2.gz HPRAKIZMPAHFSB-JOCHJYFZSA-N 1 0 463.630 3.650 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001313461116 1070414241 /nfs/dbraw/zinc/41/42/41/1070414241.db2.gz URTBFIQXJHIBIG-NJDAHSKKSA-N 1 0 486.636 3.784 20 0 JHADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](CCO)c2ccccc2Br)c(OC)c1 ZINC001308682879 1070417537 /nfs/dbraw/zinc/41/75/37/1070417537.db2.gz HCERYZOLWSPYCB-KSSFIOAISA-N 1 0 451.361 3.897 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2c(C)noc2C)C[C@H]1CC ZINC001314495995 1070416187 /nfs/dbraw/zinc/41/61/87/1070416187.db2.gz DPVRNSUIJAHVLL-OAQYLSRUSA-N 1 0 468.602 3.544 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC001308693200 1070420231 /nfs/dbraw/zinc/42/02/31/1070420231.db2.gz ATDUSTWANYEOLA-JUZZZCAGSA-N 1 0 450.542 3.864 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2F)C[C@H]1CC ZINC001314497542 1070420474 /nfs/dbraw/zinc/42/04/74/1070420474.db2.gz ARQOALHFYAZVTF-HSZRJFAPSA-N 1 0 483.636 3.573 20 0 JHADRO COC(=O)[C@@H](NC1CC[NH+](Cc2ccccc2Br)CC1)c1ccc2c(c1)CCO2 ZINC001308707961 1070422753 /nfs/dbraw/zinc/42/27/53/1070422753.db2.gz RXUHMBQGDOWQAB-QFIPXVFZSA-N 1 0 459.384 3.852 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCSC2(C)C)C[C@@H]1CC ZINC001314497567 1070421378 /nfs/dbraw/zinc/42/13/78/1070421378.db2.gz BBQYVGBHDYIRDK-VXKWHMMOSA-N 1 0 489.734 3.609 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001313462727 1070422439 /nfs/dbraw/zinc/42/24/39/1070422439.db2.gz XQIJTJUOUVSGBO-QHCPKHFHSA-N 1 0 482.673 3.818 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CCC3)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1CC ZINC001314498620 1070424773 /nfs/dbraw/zinc/42/47/73/1070424773.db2.gz IZSYNKWNHSUOBO-NRFANRHFSA-N 1 0 486.627 3.757 20 0 JHADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC001308726445 1070426070 /nfs/dbraw/zinc/42/60/70/1070426070.db2.gz HMTYOBSNNCOHQN-ZIAGYGMSSA-N 1 0 457.461 3.956 20 0 JHADRO CCOCCN1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314498963 1070426442 /nfs/dbraw/zinc/42/64/42/1070426442.db2.gz HURJGLOPHXJPQY-HSZRJFAPSA-N 1 0 482.717 3.846 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CSCCS2)C[C@@H]1CC ZINC001314499313 1070427408 /nfs/dbraw/zinc/42/74/08/1070427408.db2.gz XPFRKSPDNAUYPN-SFTDATJTSA-N 1 0 467.749 3.797 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)C[C@@H]1CC ZINC001314499656 1070428063 /nfs/dbraw/zinc/42/80/63/1070428063.db2.gz CVYLEBCTCYJMLA-QHCPKHFHSA-N 1 0 494.688 3.946 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCSC2(C)C)C[C@H]1CC ZINC001314499792 1070428775 /nfs/dbraw/zinc/42/87/75/1070428775.db2.gz OIGJXVHWDLVIJB-FGZHOGPDSA-N 1 0 472.703 3.733 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC(F)(F)C2)C[C@H]1CC ZINC001314500077 1070429634 /nfs/dbraw/zinc/42/96/34/1070429634.db2.gz PXABXLCMTVUVIV-LEWJYISDSA-N 1 0 462.589 3.636 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001313465185 1070431918 /nfs/dbraw/zinc/43/19/18/1070431918.db2.gz GHMFMLRDCPKSQN-FCHUYYIVSA-N 1 0 482.673 3.961 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nc(C(C)C)cs2)C[C@H]1CC ZINC001314501863 1070434491 /nfs/dbraw/zinc/43/44/91/1070434491.db2.gz SOXSQOGPHIJPQX-VQTJNVASSA-N 1 0 476.691 3.737 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nc(C(C)C)cs2)C[C@@H]1CC ZINC001314501740 1070434578 /nfs/dbraw/zinc/43/45/78/1070434578.db2.gz SOXSQOGPHIJPQX-PMACEKPBSA-N 1 0 476.691 3.737 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001313465929 1070435318 /nfs/dbraw/zinc/43/53/18/1070435318.db2.gz QJCSCPGFUPWDFH-GMAHTHKFSA-N 1 0 474.694 3.917 20 0 JHADRO CN1CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C[C@H]1c1ccc(Br)cc1 ZINC001308776794 1070436658 /nfs/dbraw/zinc/43/66/58/1070436658.db2.gz IURWDOIWENOIBM-VXNXHJTFSA-N 1 0 458.444 3.593 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001313466133 1070437257 /nfs/dbraw/zinc/43/72/57/1070437257.db2.gz KFOKZGKCRMPFSJ-YPAWHYETSA-N 1 0 483.705 3.783 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001313466525 1070439223 /nfs/dbraw/zinc/43/92/23/1070439223.db2.gz LOLIYGQUTRDNHD-UPVQGACJSA-N 1 0 477.657 3.638 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001313466520 1070439264 /nfs/dbraw/zinc/43/92/64/1070439264.db2.gz LOLIYGQUTRDNHD-ISKFKSNPSA-N 1 0 477.657 3.638 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001313466758 1070440653 /nfs/dbraw/zinc/44/06/53/1070440653.db2.gz WICOBHJMQBVQSQ-RTWAWAEBSA-N 1 0 460.667 3.527 20 0 JHADRO CCc1oc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)cc1C(=O)OC ZINC001308806330 1070441104 /nfs/dbraw/zinc/44/11/04/1070441104.db2.gz SXFNJBZJUIZQGK-FPOVZHCZSA-N 1 0 450.576 3.913 20 0 JHADRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001308811655 1070441970 /nfs/dbraw/zinc/44/19/70/1070441970.db2.gz NRUJBSDYMWQTIU-PWRODBHTSA-N 1 0 451.633 3.643 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3C[N@@H+](C/C=C\c4cccc(F)c4)CC[C@H]32)CC1 ZINC001308817420 1070442764 /nfs/dbraw/zinc/44/27/64/1070442764.db2.gz FMXPAHLFXYFYNC-UDRCTOAASA-N 1 0 458.578 3.707 20 0 JHADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001308842714 1070446774 /nfs/dbraw/zinc/44/67/74/1070446774.db2.gz DGYNTINFDPOHLY-BULFRSBZSA-N 1 0 458.599 3.727 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC001313468725 1070449443 /nfs/dbraw/zinc/44/94/43/1070449443.db2.gz PGZFUZAGWAJZGN-UHFFFAOYSA-N 1 0 488.721 3.742 20 0 JHADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[N@@H+]3C[C@H]4COC[C@@]4(C(=O)OC(C)(C)C)C3)o2)C1 ZINC001308858151 1070449947 /nfs/dbraw/zinc/44/99/47/1070449947.db2.gz AKQZGDWNCFMWAI-DGUDUIIESA-N 1 0 476.614 3.628 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001313469380 1070452256 /nfs/dbraw/zinc/45/22/56/1070452256.db2.gz WCHUTMTXVBAWGI-NRFANRHFSA-N 1 0 466.674 3.982 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001313470620 1070457386 /nfs/dbraw/zinc/45/73/86/1070457386.db2.gz XTJNFMFHXSFGGW-UHFFFAOYSA-N 1 0 493.656 3.931 20 0 JHADRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001308924160 1070460617 /nfs/dbraw/zinc/46/06/17/1070460617.db2.gz DPHLKXYEQJIEHD-HXUWFJFHSA-N 1 0 455.603 3.780 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001313471208 1070460860 /nfs/dbraw/zinc/46/08/60/1070460860.db2.gz YWRUUGBSOQWHLE-PWRODBHTSA-N 1 0 476.710 3.527 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](Cc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC001308961680 1070466867 /nfs/dbraw/zinc/46/68/67/1070466867.db2.gz ZACJMEQGCIKZIP-IBGZPJMESA-N 1 0 451.633 3.583 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1[NH2+]CC(=O)N1CCCCc2ccccc21 ZINC001308961513 1070467000 /nfs/dbraw/zinc/46/70/00/1070467000.db2.gz WHEXBQQFZPBERZ-QZNHQXDQSA-N 1 0 457.615 3.750 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001314510392 1070466387 /nfs/dbraw/zinc/46/63/87/1070466387.db2.gz WMUUKDKHOMJKKI-HXUWFJFHSA-N 1 0 491.677 3.532 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001314509490 1070462657 /nfs/dbraw/zinc/46/26/57/1070462657.db2.gz DWQHWDUCKYOEGI-QFIPXVFZSA-N 1 0 481.707 3.578 20 0 JHADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[C@@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)CCC1 ZINC001308939060 1070463138 /nfs/dbraw/zinc/46/31/38/1070463138.db2.gz SMCFJWXKTVMFHM-GUDVDZBRSA-N 1 0 457.681 3.785 20 0 JHADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC001308938207 1070463156 /nfs/dbraw/zinc/46/31/56/1070463156.db2.gz IVXJGVFBIZSNKM-ROUUACIJSA-N 1 0 455.411 3.635 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314509937 1070464508 /nfs/dbraw/zinc/46/45/08/1070464508.db2.gz JAYGIPDHHRQNRT-HXUWFJFHSA-N 1 0 488.702 3.564 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001314510476 1070467237 /nfs/dbraw/zinc/46/72/37/1070467237.db2.gz QKJRQEQGIHGVOW-QFIPXVFZSA-N 1 0 481.707 3.579 20 0 JHADRO COCCc1ccc(OC[C@H](C)[NH2+][C@@H](CO)c2ccccc2I)cc1 ZINC001308972684 1070469479 /nfs/dbraw/zinc/46/94/79/1070469479.db2.gz QUTOHAAHDZMHET-YWZLYKJASA-N 1 0 455.336 3.571 20 0 JHADRO CCCNC(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001313473163 1070470072 /nfs/dbraw/zinc/47/00/72/1070470072.db2.gz APQMPSCNBXRCBC-VWPQPMDRSA-N 1 0 470.662 3.870 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001313474873 1070473271 /nfs/dbraw/zinc/47/32/71/1070473271.db2.gz MHWLKKUWRGRBBW-NHCUHLMSSA-N 1 0 484.664 3.871 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001313474705 1070473425 /nfs/dbraw/zinc/47/34/25/1070473425.db2.gz LBFFMWGFGMWIDJ-VWLOTQADSA-N 1 0 489.668 3.618 20 0 JHADRO CCCNC(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001313477332 1070484598 /nfs/dbraw/zinc/48/45/98/1070484598.db2.gz SSOIRDKRANZURZ-FQEVSTJZSA-N 1 0 489.462 3.689 20 0 JHADRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC001309020761 1070488395 /nfs/dbraw/zinc/48/83/95/1070488395.db2.gz LEUKKECZYHKAHB-UHFFFAOYSA-N 1 0 450.004 3.569 20 0 JHADRO CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313479025 1070490005 /nfs/dbraw/zinc/49/00/05/1070490005.db2.gz LMGSWEVGHJRKGN-IFMALSPDSA-N 1 0 463.630 3.679 20 0 JHADRO CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313479032 1070490032 /nfs/dbraw/zinc/49/00/32/1070490032.db2.gz LMGSWEVGHJRKGN-IRLDBZIGSA-N 1 0 463.630 3.679 20 0 JHADRO CCCNC(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001313483077 1070497584 /nfs/dbraw/zinc/49/75/84/1070497584.db2.gz BJRDYLHANZBHFQ-LJQANCHMSA-N 1 0 489.064 3.737 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1CC[N@H+](C)C1CCCC1 ZINC001314518766 1070499539 /nfs/dbraw/zinc/49/95/39/1070499539.db2.gz RFGCNUWHLJAQDM-LJQANCHMSA-N 1 0 484.670 3.627 20 0 JHADRO CCCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001313486980 1070503602 /nfs/dbraw/zinc/50/36/02/1070503602.db2.gz HQLWXQZNYMQMEA-FQEVSTJZSA-N 1 0 486.636 3.786 20 0 JHADRO CCCNC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001313486692 1070503780 /nfs/dbraw/zinc/50/37/80/1070503780.db2.gz XUDTWJLZABPEOC-JBRSBNLGSA-N 1 0 496.700 3.824 20 0 JHADRO CCCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001313487930 1070505362 /nfs/dbraw/zinc/50/53/62/1070505362.db2.gz PMXBCJCGSKAIOF-KBWCOIMZSA-N 1 0 486.636 3.784 20 0 JHADRO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC001309057643 1070512784 /nfs/dbraw/zinc/51/27/84/1070512784.db2.gz JNVWCPCXKWGSNS-UHFFFAOYSA-N 1 0 459.381 3.787 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNS(=O)(=O)c3cccc4c(Cl)ccnc43)cc2)C[C@H](C)O1 ZINC001309056311 1070512163 /nfs/dbraw/zinc/51/21/63/1070512163.db2.gz WUSSHAKAWCGZCJ-CALCHBBNSA-N 1 0 459.999 3.976 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001314523537 1070514382 /nfs/dbraw/zinc/51/43/82/1070514382.db2.gz XORFYDQZTJYCLD-GOSISDBHSA-N 1 0 498.093 3.598 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001313493921 1070514848 /nfs/dbraw/zinc/51/48/48/1070514848.db2.gz YCRIOFOSNTYDSN-VXKWHMMOSA-N 1 0 452.647 3.871 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314523583 1070515079 /nfs/dbraw/zinc/51/50/79/1070515079.db2.gz YZOPNMQMMCGJLZ-SJORKVTESA-N 1 0 486.057 3.729 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC001309061037 1070515296 /nfs/dbraw/zinc/51/52/96/1070515296.db2.gz FPJOHKIEZYIKPS-NHCUHLMSSA-N 1 0 452.624 3.970 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2cccnc2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001314523902 1070515765 /nfs/dbraw/zinc/51/57/65/1070515765.db2.gz JDNUOGNGMZDZIK-HSZRJFAPSA-N 1 0 496.681 3.513 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@@H](N4CC[NH+](CC)CC4)C3)n2CC(C)C)cc1OC ZINC001313503123 1070532009 /nfs/dbraw/zinc/53/20/09/1070532009.db2.gz BWAXUFUPWGSGKF-JOCHJYFZSA-N 1 0 470.662 3.615 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001313503874 1070535293 /nfs/dbraw/zinc/53/52/93/1070535293.db2.gz UNECGEKREIXPOX-NHCUHLMSSA-N 1 0 484.689 3.861 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC001313505680 1070545138 /nfs/dbraw/zinc/54/51/38/1070545138.db2.gz LQKQTOARQRRVHF-CLOONOSVSA-N 1 0 489.686 3.795 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2C[C@@]2(C)CCCO2)cc1OC ZINC001313506269 1070547615 /nfs/dbraw/zinc/54/76/15/1070547615.db2.gz XEAXFZQRVFRAOI-KBMIEXCESA-N 1 0 457.619 3.842 20 0 JHADRO CC[S@@](=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001314557251 1070559462 /nfs/dbraw/zinc/55/94/62/1070559462.db2.gz FCKYYKQICZAVEP-AONNBLCTSA-N 1 0 479.666 3.884 20 0 JHADRO CN(C1CC[NH+](CCc2ccccn2)CC1)S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC001309142535 1070564661 /nfs/dbraw/zinc/56/46/61/1070564661.db2.gz RVGZEICOKFNFQL-UHFFFAOYSA-N 1 0 451.017 3.672 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001313513079 1070566085 /nfs/dbraw/zinc/56/60/85/1070566085.db2.gz DKOWKIOGPFOTOM-SJBKTWHCSA-N 1 0 471.646 3.682 20 0 JHADRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1)c1ccccc1 ZINC001309154547 1070572978 /nfs/dbraw/zinc/57/29/78/1070572978.db2.gz QJLZPPJNMUSPBM-ZWKOTPCHSA-N 1 0 450.576 3.649 20 0 JHADRO CCCOc1ccc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[NH+](C(C)C)CC2)cn1 ZINC001313514253 1070570357 /nfs/dbraw/zinc/57/03/57/1070570357.db2.gz QMGGFJBGUCUKST-UHFFFAOYSA-N 1 0 480.613 3.725 20 0 JHADRO COC(=O)c1c(C)cccc1S(=O)(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001309156654 1070574262 /nfs/dbraw/zinc/57/42/62/1070574262.db2.gz LMKMGXXBGMQQOP-UHFFFAOYSA-N 1 0 458.624 3.795 20 0 JHADRO CCCOc1ncccc1Cn1c([C@@H](C)CC)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001313517501 1070580034 /nfs/dbraw/zinc/58/00/34/1070580034.db2.gz FWABSLZHFCWMKM-FQEVSTJZSA-N 1 0 456.635 3.572 20 0 JHADRO COc1ccc(S(=O)(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c(Cl)c1Cl ZINC001309182298 1070589120 /nfs/dbraw/zinc/58/91/20/1070589120.db2.gz MIHRIUOWYNYKPT-UHFFFAOYSA-N 1 0 459.395 3.955 20 0 JHADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@H](C)C1 ZINC001309182899 1070589638 /nfs/dbraw/zinc/58/96/38/1070589638.db2.gz HPGQRQGHBPAGKT-CRAIPNDOSA-N 1 0 458.049 3.879 20 0 JHADRO CCSc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)ccn1 ZINC001314582793 1070597290 /nfs/dbraw/zinc/59/72/90/1070597290.db2.gz GLAWGCHCEWPUKH-UHFFFAOYSA-N 1 0 473.691 3.528 20 0 JHADRO CCSc1cc(Cn2c([C@H](C)CC)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)ccn1 ZINC001314584815 1070602454 /nfs/dbraw/zinc/60/24/54/1070602454.db2.gz XOWHLFHGUPURSH-TZIWHRDSSA-N 1 0 458.676 3.896 20 0 JHADRO COC(=O)[C@H](CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1)CC(C)C ZINC001309201306 1070602712 /nfs/dbraw/zinc/60/27/12/1070602712.db2.gz KSAHPAHCFSGEPZ-CCDWMCETSA-N 1 0 472.651 3.718 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@H](O)c2ccccc2C)cc1 ZINC001309209844 1070609589 /nfs/dbraw/zinc/60/95/89/1070609589.db2.gz GNTYJZIEEINHFX-GMQQYTKMSA-N 1 0 464.631 3.924 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001314593515 1070628200 /nfs/dbraw/zinc/62/82/00/1070628200.db2.gz XMEJCHOEJNBMDE-BWKNWUBXSA-N 1 0 495.734 3.542 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001314594746 1070632620 /nfs/dbraw/zinc/63/26/20/1070632620.db2.gz CGONCXONBJMYAC-JOCHJYFZSA-N 1 0 470.687 3.758 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314595541 1070635751 /nfs/dbraw/zinc/63/57/51/1070635751.db2.gz NLGKVZCTNHJWBM-YUMYIRISSA-N 1 0 497.775 3.803 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(C3CCCC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001314595559 1070635880 /nfs/dbraw/zinc/63/58/80/1070635880.db2.gz NUJRNGPLKYNPPK-YPAWHYETSA-N 1 0 476.735 3.989 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001313544384 1070643968 /nfs/dbraw/zinc/64/39/68/1070643968.db2.gz UDFGGXSISVYUAF-WOJBJXKFSA-N 1 0 456.635 3.943 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001314597263 1070641226 /nfs/dbraw/zinc/64/12/26/1070641226.db2.gz ULHFFTIERRKVIT-FCHUYYIVSA-N 1 0 472.703 3.997 20 0 JHADRO CCS[C@H]1CC[C@H](N(C)c2nnc(-c3noc4c3COCC4)n2CC[N@H+](CC)C(C)C)C1 ZINC001314598213 1070643346 /nfs/dbraw/zinc/64/33/46/1070643346.db2.gz LFNNJCXJIQCOIJ-ROUUACIJSA-N 1 0 462.664 3.847 20 0 JHADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001309256159 1070648923 /nfs/dbraw/zinc/64/89/23/1070648923.db2.gz ZQZSZCZHSHIFPZ-INIZCTEOSA-N 1 0 457.379 3.675 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314602392 1070655764 /nfs/dbraw/zinc/65/57/64/1070655764.db2.gz WIJXSIDSBUFCGK-DNVJHFABSA-N 1 0 489.734 3.607 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001314602532 1070656431 /nfs/dbraw/zinc/65/64/31/1070656431.db2.gz ZZIYTIRUVZFLML-PZJWPPBQSA-N 1 0 491.727 3.802 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001313548717 1070663010 /nfs/dbraw/zinc/66/30/10/1070663010.db2.gz PLVAZDYSDYEKOO-UHFFFAOYSA-N 1 0 489.462 3.641 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001314603949 1070659264 /nfs/dbraw/zinc/65/92/64/1070659264.db2.gz OBKNIHDIYREQLA-BHDDXSALSA-N 1 0 464.724 3.658 20 0 JHADRO CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001313562236 1070680017 /nfs/dbraw/zinc/68/00/17/1070680017.db2.gz WPGYYFUXHQLEOH-GHTZIAJQSA-N 1 0 473.668 3.949 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(C)C)CC2)c1 ZINC001313573297 1070687623 /nfs/dbraw/zinc/68/76/23/1070687623.db2.gz DVWXREHLSXJGPH-QHCPKHFHSA-N 1 0 473.687 3.553 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccon2)c1 ZINC001313573404 1070688309 /nfs/dbraw/zinc/68/83/09/1070688309.db2.gz FWAOTKSCFQPAQP-UHFFFAOYSA-N 1 0 451.600 3.758 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(C)C)C2)c1 ZINC001313576624 1070693484 /nfs/dbraw/zinc/69/34/84/1070693484.db2.gz YMQDXKFPQQTBRB-QHCPKHFHSA-N 1 0 452.647 3.773 20 0 JHADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)CC1 ZINC001309321009 1070696800 /nfs/dbraw/zinc/69/68/00/1070696800.db2.gz CJSSFZOHXOTFQN-UHFFFAOYSA-N 1 0 456.431 3.822 20 0 JHADRO CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C[NH+]2CCOCC2)CCCCC1)C(C)C ZINC001313579756 1070699073 /nfs/dbraw/zinc/69/90/73/1070699073.db2.gz CMEONOOULAHSEC-AREMUKBSSA-N 1 0 477.694 3.836 20 0 JHADRO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)C[NH+]1CCCC1)C1CCCC1 ZINC001313582478 1070703612 /nfs/dbraw/zinc/70/36/12/1070703612.db2.gz PRNHFPDCGVMMCC-HXUWFJFHSA-N 1 0 488.702 3.696 20 0 JHADRO CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC001313583685 1070706868 /nfs/dbraw/zinc/70/68/68/1070706868.db2.gz IQPGDFMERNIERI-ROUUACIJSA-N 1 0 457.619 3.839 20 0 JHADRO CCN(c1nnc(-c2ccc(Br)cc2Cl)n1CCOCC[NH+](C)C)C1CC1 ZINC001313585861 1070711067 /nfs/dbraw/zinc/71/10/67/1070711067.db2.gz MJAQSBKQALTRQC-UHFFFAOYSA-N 1 0 456.816 3.928 20 0 JHADRO CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CC[NH+](CCN(C)C)CC1)C(C)C ZINC001313595823 1070721626 /nfs/dbraw/zinc/72/16/26/1070721626.db2.gz SJTSSHYSVFJKBG-UHFFFAOYSA-N 1 0 464.662 3.639 20 0 JHADRO CCN(c1nnc(-c2ccccc2Cl)n1CC[C@H](C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313592702 1070719736 /nfs/dbraw/zinc/71/97/36/1070719736.db2.gz UNGNOEYCQLWCGD-OALUTQOASA-N 1 0 480.078 3.876 20 0 JHADRO CCN(c1nnc(-c2ccccc2F)n1CCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001313593285 1070720445 /nfs/dbraw/zinc/72/04/45/1070720445.db2.gz SKOHIAIXPXXKDM-UXHICEINSA-N 1 0 477.650 3.752 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc(-c3ccccn3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001314628077 1070722978 /nfs/dbraw/zinc/72/29/78/1070722978.db2.gz GNPPMICGLYJKMW-UHFFFAOYSA-N 1 0 467.662 3.691 20 0 JHADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001309371865 1070730484 /nfs/dbraw/zinc/73/04/84/1070730484.db2.gz LXDUEMXRLTTXHK-UHFFFAOYSA-N 1 0 459.381 3.786 20 0 JHADRO CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC001313603810 1070726949 /nfs/dbraw/zinc/72/69/49/1070726949.db2.gz UZZXFUWZAQFQND-YADHBBJMSA-N 1 0 492.709 3.984 20 0 JHADRO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCC1)C1CCCC1 ZINC001313607584 1070730730 /nfs/dbraw/zinc/73/07/30/1070730730.db2.gz GOOFNJGMULAJQH-NRFANRHFSA-N 1 0 476.666 3.841 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N(C)Cc2ccc(Br)o2)nnc1C(C)(C)C ZINC001314629779 1070728639 /nfs/dbraw/zinc/72/86/39/1070728639.db2.gz UGZSZAWOAIAYGZ-KRWDZBQOSA-N 1 0 495.466 3.510 20 0 JHADRO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001309389495 1070739962 /nfs/dbraw/zinc/73/99/62/1070739962.db2.gz BWXZFFSKHUANFA-KSZLIROESA-N 1 0 457.036 3.687 20 0 JHADRO CN(C)C(=O)CCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001314631647 1070733325 /nfs/dbraw/zinc/73/33/25/1070733325.db2.gz HYFKZDIAXIDJPO-GOSISDBHSA-N 1 0 489.462 3.641 20 0 JHADRO CN(C)C(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001314637306 1070741617 /nfs/dbraw/zinc/74/16/17/1070741617.db2.gz VNYKJIRXUWEDBM-OAQYLSRUSA-N 1 0 486.636 3.567 20 0 JHADRO CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC[N@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313618667 1070743233 /nfs/dbraw/zinc/74/32/33/1070743233.db2.gz NYENNZSHFHVBMC-SFHVURJKSA-N 1 0 486.107 3.577 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C(F)(F)F)C1)C1CC1 ZINC001314647029 1070748101 /nfs/dbraw/zinc/74/81/01/1070748101.db2.gz JPLRMNOFNKWWKB-IRXDYDNUSA-N 1 0 475.462 3.654 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCCOCC1)c1ccco1 ZINC001314648316 1070751876 /nfs/dbraw/zinc/75/18/76/1070751876.db2.gz ZBWKHOGKBMVKRR-GOSISDBHSA-N 1 0 460.376 3.830 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)C1CC1 ZINC001314648388 1070752500 /nfs/dbraw/zinc/75/25/00/1070752500.db2.gz JGOVPJBSGYNYGK-UTKZUKDTSA-N 1 0 486.970 3.863 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314648878 1070753600 /nfs/dbraw/zinc/75/36/00/1070753600.db2.gz PFBSGXFXWNUREX-QUCCMNQESA-N 1 0 485.658 3.751 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC001314648911 1070753700 /nfs/dbraw/zinc/75/37/00/1070753700.db2.gz QABONEICDDRICX-YLJYHZDGSA-N 1 0 488.080 3.712 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001314649051 1070754156 /nfs/dbraw/zinc/75/41/56/1070754156.db2.gz KZSNZKDSEPOBTH-HXUWFJFHSA-N 1 0 461.536 3.651 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccsc1 ZINC001314649058 1070754210 /nfs/dbraw/zinc/75/42/10/1070754210.db2.gz LCBMQGCHWCQZMN-DLBZAZTESA-N 1 0 470.565 3.762 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CO)CC1)c1ccc(F)cc1 ZINC001314649162 1070754647 /nfs/dbraw/zinc/75/46/47/1070754647.db2.gz SXGMGEWTZKXNEX-FQEVSTJZSA-N 1 0 458.969 3.644 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC001314649400 1070755491 /nfs/dbraw/zinc/75/54/91/1070755491.db2.gz AVCKMZQMZDCSJV-MOPGFXCFSA-N 1 0 488.633 3.562 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001313628175 1070758429 /nfs/dbraw/zinc/75/84/29/1070758429.db2.gz OTEKOXUUILUKHZ-SFHVURJKSA-N 1 0 467.456 3.875 20 0 JHADRO CN(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1c(F)cccc1F ZINC001314649411 1070756008 /nfs/dbraw/zinc/75/60/08/1070756008.db2.gz BADMIGHZZBHGFW-WIYYLYMNSA-N 1 0 476.616 3.674 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC001314649460 1070756110 /nfs/dbraw/zinc/75/61/10/1070756110.db2.gz BQJKALFYOQDCNP-VQTJNVASSA-N 1 0 476.666 3.744 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)C1)c1ccsc1 ZINC001314649668 1070756941 /nfs/dbraw/zinc/75/69/41/1070756941.db2.gz XJLHSGBQSAHGMJ-FQEVSTJZSA-N 1 0 452.628 3.543 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314650034 1070757501 /nfs/dbraw/zinc/75/75/01/1070757501.db2.gz YMOHAIWTXRRZNT-XLIONFOSSA-N 1 0 458.582 3.528 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1)c1ccsc1 ZINC001314651065 1070760195 /nfs/dbraw/zinc/76/01/95/1070760195.db2.gz OLVMMZWNYJTOIU-SFHVURJKSA-N 1 0 456.582 3.984 20 0 JHADRO CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCOC1 ZINC001314651172 1070760632 /nfs/dbraw/zinc/76/06/32/1070760632.db2.gz AWNICYOIFWBORV-LNRXMEIDSA-N 1 0 459.610 3.864 20 0 JHADRO CCN(CC(C)C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001313631780 1070762495 /nfs/dbraw/zinc/76/24/95/1070762495.db2.gz SYKLQZJGVWSURE-UHFFFAOYSA-N 1 0 454.667 3.809 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1cnc(Cl)c(Br)c1)C1CC1 ZINC001309425983 1070763343 /nfs/dbraw/zinc/76/33/43/1070763343.db2.gz AMOZSKQHHPADHC-KRWDZBQOSA-N 1 0 458.809 3.686 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001314652549 1070763618 /nfs/dbraw/zinc/76/36/18/1070763618.db2.gz ZUXFQOCWLSBDTM-YADHBBJMSA-N 1 0 452.647 3.980 20 0 JHADRO CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@@H](C[N@H+](C)Cc3ccccc3)C(C)C)cc21 ZINC001309427751 1070763877 /nfs/dbraw/zinc/76/38/77/1070763877.db2.gz QORGHMYHSMTNHI-CYFREDJKSA-N 1 0 457.640 3.982 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(CCCO)CC2)CCSC1 ZINC001314652811 1070764066 /nfs/dbraw/zinc/76/40/66/1070764066.db2.gz JMRXXNGGBNUBQB-XMMPIXPASA-N 1 0 495.640 3.973 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC001314653859 1070767067 /nfs/dbraw/zinc/76/70/67/1070767067.db2.gz HXXMISZSDHPWTN-JXFKEZNVSA-N 1 0 489.045 3.577 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCSC1 ZINC001314654100 1070767605 /nfs/dbraw/zinc/76/76/05/1070767605.db2.gz VOPPVDZTQLADHC-NIYFSFCBSA-N 1 0 484.714 3.772 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C2CCCC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001313634744 1070767745 /nfs/dbraw/zinc/76/77/45/1070767745.db2.gz HOVRVQXJPGXIDF-XUZZJYLKSA-N 1 0 455.647 3.772 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001314654370 1070768885 /nfs/dbraw/zinc/76/88/85/1070768885.db2.gz GJVYNBUFVJPPBL-VXKWHMMOSA-N 1 0 494.105 3.656 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1)c1cccc(F)c1 ZINC001314654814 1070770457 /nfs/dbraw/zinc/77/04/57/1070770457.db2.gz HZLXLICIIKWSJR-FGZHOGPDSA-N 1 0 470.637 3.900 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001314654904 1070770720 /nfs/dbraw/zinc/77/07/20/1070770720.db2.gz XWADHUSGGUDFKK-IRFCIJBXSA-N 1 0 488.633 3.861 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)c1cccc(F)c1 ZINC001314654934 1070770747 /nfs/dbraw/zinc/77/07/47/1070770747.db2.gz IZKFWKNUSDVTNJ-KNQAVFIVSA-N 1 0 470.637 3.804 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001313635867 1070771163 /nfs/dbraw/zinc/77/11/63/1070771163.db2.gz CYYQDYOHTVGBCO-HSZRJFAPSA-N 1 0 482.673 3.504 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CO)CC1)c1cccs1 ZINC001314655133 1070771552 /nfs/dbraw/zinc/77/15/52/1070771552.db2.gz IZVUGBOHMCIVJZ-FQEVSTJZSA-N 1 0 461.582 3.720 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccco1 ZINC001314655514 1070772807 /nfs/dbraw/zinc/77/28/07/1070772807.db2.gz MATANPPDCJAZBR-SFHVURJKSA-N 1 0 499.484 3.937 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)c1ccc(F)cc1 ZINC001314655506 1070773010 /nfs/dbraw/zinc/77/30/10/1070773010.db2.gz LWICAFOPZVXXKU-YPAWHYETSA-N 1 0 459.610 3.693 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)F)CC1)c1cccc(F)c1 ZINC001314657111 1070776222 /nfs/dbraw/zinc/77/62/22/1070776222.db2.gz WBDPVMRKPMEFOK-HXUWFJFHSA-N 1 0 478.588 3.760 20 0 JHADRO CCOC(=O)c1oc2ccc(S(=O)(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1C ZINC001309461628 1070783662 /nfs/dbraw/zinc/78/36/62/1070783662.db2.gz ULYXRJJWPMGVAD-LJQANCHMSA-N 1 0 456.564 3.718 20 0 JHADRO C[NH+](C)C1(Cn2c(N3CCC(c4ccccc4CO)CC3)nnc2C(C)(C)C)CCOCC1 ZINC001314657759 1070777352 /nfs/dbraw/zinc/77/73/52/1070777352.db2.gz FFPGOGDAQRTHII-UHFFFAOYSA-N 1 0 455.647 3.563 20 0 JHADRO C[NH+](C)C1(Cn2c(N3CCC(C(=O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CCOCC1 ZINC001314657882 1070777837 /nfs/dbraw/zinc/77/78/37/1070777837.db2.gz JAKGJPINBHDDMR-UHFFFAOYSA-N 1 0 471.621 3.925 20 0 JHADRO C[NH+](C)C1(Cn2c(CC(C)(C)C)nnc2N2CCO[C@](C)(c3ccccc3)C2)CCOCC1 ZINC001314660186 1070783863 /nfs/dbraw/zinc/78/38/63/1070783863.db2.gz SPYKSVKZYIJWPH-VWLOTQADSA-N 1 0 455.647 3.730 20 0 JHADRO C[NH+](C)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CCC1 ZINC001314658033 1070778364 /nfs/dbraw/zinc/77/83/64/1070778364.db2.gz OTPFRNAOZKYSCM-GOSISDBHSA-N 1 0 474.675 3.538 20 0 JHADRO C[NH+](C)C1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(F)ccc3F)CC2)CCOCC1 ZINC001314659803 1070782762 /nfs/dbraw/zinc/78/27/62/1070782762.db2.gz QJIVBEGECHLYGJ-UHFFFAOYSA-N 1 0 476.616 3.582 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](Cc3ccccc3)C2)CCSC1 ZINC001314659844 1070782828 /nfs/dbraw/zinc/78/28/28/1070782828.db2.gz QUVYRMFGLDTDQJ-SQJMNOBHSA-N 1 0 457.688 3.752 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001313639922 1070783505 /nfs/dbraw/zinc/78/35/05/1070783505.db2.gz MDUASXSETNDXLT-JOCHJYFZSA-N 1 0 469.678 3.633 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001314662461 1070789411 /nfs/dbraw/zinc/78/94/11/1070789411.db2.gz DUOPKXDFQJXFIL-UHFFFAOYSA-N 1 0 482.032 3.544 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001314662542 1070789868 /nfs/dbraw/zinc/78/98/68/1070789868.db2.gz HFXLUEKWIKJJLJ-WOJBJXKFSA-N 1 0 492.462 3.680 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001314662839 1070790069 /nfs/dbraw/zinc/79/00/69/1070790069.db2.gz JUCUBGOBTZBPPH-HXUWFJFHSA-N 1 0 468.465 3.974 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCSC2)C1 ZINC001314663116 1070790468 /nfs/dbraw/zinc/79/04/68/1070790468.db2.gz OTRICXPROLYZRW-FQEVSTJZSA-N 1 0 467.481 3.957 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001314663572 1070791651 /nfs/dbraw/zinc/79/16/51/1070791651.db2.gz WPPTUULZPQJARV-PZJWPPBQSA-N 1 0 452.647 3.545 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2F)CC1 ZINC001314664603 1070795277 /nfs/dbraw/zinc/79/52/77/1070795277.db2.gz BZULPFYZHIVXEM-UHFFFAOYSA-N 1 0 455.557 3.533 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCOCC2(CC2)C1 ZINC001314664597 1070795478 /nfs/dbraw/zinc/79/54/78/1070795478.db2.gz BMGMUDPITWVNSF-UHFFFAOYSA-N 1 0 462.436 3.912 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001314665429 1070797343 /nfs/dbraw/zinc/79/73/43/1070797343.db2.gz BRQMLEGSBDHJJE-UHFFFAOYSA-N 1 0 453.553 3.545 20 0 JHADRO CN(Cc1cc2c(cc1OC(F)F)OCO2)c1nnc(-c2cccn2C)n1CC(C)(C)C[NH+](C)C ZINC001314665718 1070797865 /nfs/dbraw/zinc/79/78/65/1070797865.db2.gz PYVVGUCBFPQPKH-UHFFFAOYSA-N 1 0 490.555 3.838 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001314665817 1070798445 /nfs/dbraw/zinc/79/84/45/1070798445.db2.gz MRWKXMHVOHQBIV-UHFFFAOYSA-N 1 0 484.664 3.825 20 0 JHADRO CN(CCc1cccs1)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001314667891 1070802407 /nfs/dbraw/zinc/80/24/07/1070802407.db2.gz KQPQOQGWMYIWKS-UHFFFAOYSA-N 1 0 482.702 3.780 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001314669019 1070806151 /nfs/dbraw/zinc/80/61/51/1070806151.db2.gz UWLHREKTXQMDOC-KRWDZBQOSA-N 1 0 466.413 3.670 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CC2CC2)CC1 ZINC001314669778 1070809557 /nfs/dbraw/zinc/80/95/57/1070809557.db2.gz LGIUDNJRHYDPET-UHFFFAOYSA-N 1 0 493.469 3.967 20 0 JHADRO C[NH+](C)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(F)cc(F)cc2C1 ZINC001314670940 1070813039 /nfs/dbraw/zinc/81/30/39/1070813039.db2.gz GFCPBWOSYLXFQI-IFMALSPDSA-N 1 0 477.600 3.616 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Br)s2)nnc1N1CCc2ccccc2CC1 ZINC001314672396 1070817723 /nfs/dbraw/zinc/81/77/23/1070817723.db2.gz ZTFLCNKOXDMLEM-UHFFFAOYSA-N 1 0 490.471 3.953 20 0 JHADRO C[NH+](C)CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001314673567 1070819619 /nfs/dbraw/zinc/81/96/19/1070819619.db2.gz SLPYZEHIFKYTIQ-RBBKRZOGSA-N 1 0 490.693 3.740 20 0 JHADRO C[NH+](C)CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001314673565 1070819700 /nfs/dbraw/zinc/81/97/00/1070819700.db2.gz SLPYZEHIFKYTIQ-IFMALSPDSA-N 1 0 490.693 3.740 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001314676507 1070820610 /nfs/dbraw/zinc/82/06/10/1070820610.db2.gz IYKHYDZYWXYRJW-FGZHOGPDSA-N 1 0 473.687 3.501 20 0 JHADRO CN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[NH+]1CCCCCC1)[C@@H]1CCSC1 ZINC001314676849 1070822486 /nfs/dbraw/zinc/82/24/86/1070822486.db2.gz GGOJPWLXBIYLKT-HXUWFJFHSA-N 1 0 477.078 3.679 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CCCOC[C@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314676665 1070822554 /nfs/dbraw/zinc/82/25/54/1070822554.db2.gz KLZMCZQTCRVEQL-DHIUTWEWSA-N 1 0 455.647 3.872 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C3CCC3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001313650462 1070822877 /nfs/dbraw/zinc/82/28/77/1070822877.db2.gz NBNMOVDUNNCRGA-UHFFFAOYSA-N 1 0 459.683 3.642 20 0 JHADRO CN(c1nnc(C(=O)N2CCCC2)n1CCCOC(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314677924 1070825552 /nfs/dbraw/zinc/82/55/52/1070825552.db2.gz NIJNDVWDVNUGIP-HXUWFJFHSA-N 1 0 494.562 3.541 20 0 JHADRO CN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCCC1)[C@@H]1CCSC1 ZINC001314678644 1070826465 /nfs/dbraw/zinc/82/64/65/1070826465.db2.gz ULPNPVCHKLDLBX-LJQANCHMSA-N 1 0 477.078 3.678 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOCC2(CCC2)C1 ZINC001313651634 1070827443 /nfs/dbraw/zinc/82/74/43/1070827443.db2.gz ICPUVYUJFSKMAO-LJQANCHMSA-N 1 0 489.064 3.599 20 0 JHADRO CN(c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1CCC(O)CC1)[C@H]1CCSC1 ZINC001314681363 1070834488 /nfs/dbraw/zinc/83/44/88/1070834488.db2.gz ZVGCRYGJDFOFFQ-AWEZNQCLSA-N 1 0 486.505 3.558 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001313654976 1070842100 /nfs/dbraw/zinc/84/21/00/1070842100.db2.gz PWECSLVOJFVIRD-OAQYLSRUSA-N 1 0 492.672 3.807 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001313655605 1070845628 /nfs/dbraw/zinc/84/56/28/1070845628.db2.gz QRWSHTXHPMQLEL-JOCHJYFZSA-N 1 0 497.688 3.540 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001313657650 1070855855 /nfs/dbraw/zinc/85/58/55/1070855855.db2.gz NDKIDWABYIKLND-RBBKRZOGSA-N 1 0 490.718 3.798 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001313656858 1070852482 /nfs/dbraw/zinc/85/24/82/1070852482.db2.gz GXWJWKLTGHWBGQ-MRXNPFEDSA-N 1 0 469.602 3.560 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001313656857 1070852611 /nfs/dbraw/zinc/85/26/11/1070852611.db2.gz GXWJWKLTGHWBGQ-INIZCTEOSA-N 1 0 469.602 3.560 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001313657059 1070853790 /nfs/dbraw/zinc/85/37/90/1070853790.db2.gz IOCJBMPIIRALKS-GGPKGHCWSA-N 1 0 493.743 3.875 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001313657777 1070857104 /nfs/dbraw/zinc/85/71/04/1070857104.db2.gz UXNIBXMOHNMFLD-RBBKRZOGSA-N 1 0 477.657 3.837 20 0 JHADRO Cc1cc(F)ccc1S(=O)(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001309561027 1070858847 /nfs/dbraw/zinc/85/88/47/1070858847.db2.gz MMHNLCFONJAWOH-UHFFFAOYSA-N 1 0 451.995 3.763 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Cn2cncn2)CC1 ZINC001313658192 1070859101 /nfs/dbraw/zinc/85/91/01/1070859101.db2.gz QNUQJUDIYUXSMH-SFHVURJKSA-N 1 0 457.026 3.837 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001313658325 1070859156 /nfs/dbraw/zinc/85/91/56/1070859156.db2.gz YXTMMLPMWSXEPM-PMACEKPBSA-N 1 0 484.670 3.545 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001313659932 1070864139 /nfs/dbraw/zinc/86/41/39/1070864139.db2.gz MVBXEUIQZILQEQ-JOCHJYFZSA-N 1 0 475.641 3.731 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313659109 1070861812 /nfs/dbraw/zinc/86/18/12/1070861812.db2.gz IKNXUXLNJBESBC-LJQANCHMSA-N 1 0 465.646 3.520 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313659981 1070864292 /nfs/dbraw/zinc/86/42/92/1070864292.db2.gz MVCSFKYQPVNLGI-CLOONOSVSA-N 1 0 457.619 3.842 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC(CC(=O)NC)CC1 ZINC001313659501 1070862778 /nfs/dbraw/zinc/86/27/78/1070862778.db2.gz ILHCWTRRMMGHKP-LJQANCHMSA-N 1 0 463.630 3.576 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001313659361 1070863333 /nfs/dbraw/zinc/86/33/33/1070863333.db2.gz JDPORHSWKYSUAJ-GOSISDBHSA-N 1 0 470.568 3.837 20 0 JHADRO CCN(C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)[NH+](CC)CC)CC1)S(C)(=O)=O ZINC001313660916 1070866651 /nfs/dbraw/zinc/86/66/51/1070866651.db2.gz UVUNHVNBEPLEQN-SFHVURJKSA-N 1 0 497.109 3.579 20 0 JHADRO CCn1nc(-c2nnc(N3CCCCCC3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313660857 1070866972 /nfs/dbraw/zinc/86/69/72/1070866972.db2.gz AJCAPADFSJQZKY-LJQANCHMSA-N 1 0 451.619 3.786 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001313661305 1070867462 /nfs/dbraw/zinc/86/74/62/1070867462.db2.gz WXTACZOLCZSBRT-LJQANCHMSA-N 1 0 494.640 3.856 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001313661754 1070868939 /nfs/dbraw/zinc/86/89/39/1070868939.db2.gz ZBGLUZJBLGFMJO-FQEVSTJZSA-N 1 0 451.594 3.845 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001313661913 1070869503 /nfs/dbraw/zinc/86/95/03/1070869503.db2.gz KMIAPTVRHOZWJU-FQEVSTJZSA-N 1 0 451.619 3.595 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001313661942 1070869522 /nfs/dbraw/zinc/86/95/22/1070869522.db2.gz LBOIBQFUJIPQHX-KKSFZXQISA-N 1 0 476.000 3.779 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001313662151 1070869913 /nfs/dbraw/zinc/86/99/13/1070869913.db2.gz OTUAXCPAEKTZDK-PMACEKPBSA-N 1 0 475.707 3.841 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1ccc2ccnc(Cl)c2c1 ZINC001309594196 1070873898 /nfs/dbraw/zinc/87/38/98/1070873898.db2.gz WJYWYVJMFRGKKY-DENIHFKCSA-N 1 0 459.999 3.704 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCS[C@@H](C)[C@H]1C)c1ccsc1 ZINC001313663795 1070874509 /nfs/dbraw/zinc/87/45/09/1070874509.db2.gz HXHDAFQRXQHZJC-WSTZPKSXSA-N 1 0 476.716 3.989 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001313663920 1070875164 /nfs/dbraw/zinc/87/51/64/1070875164.db2.gz LGVNOSDMRHPLDZ-UGKGYDQZSA-N 1 0 471.646 3.525 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H]1C)c1ccco1 ZINC001313664274 1070875923 /nfs/dbraw/zinc/87/59/23/1070875923.db2.gz MDUUODIDUKBWMS-CEXWTWQISA-N 1 0 451.575 3.836 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001313665615 1070881000 /nfs/dbraw/zinc/88/10/00/1070881000.db2.gz GAEKQWYEIKVJRC-YFVAEKQCSA-N 1 0 479.572 3.692 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC2(CCC2)C1 ZINC001313665261 1070879201 /nfs/dbraw/zinc/87/92/01/1070879201.db2.gz QFKWTXRAXZZBOU-SFTDATJTSA-N 1 0 490.693 3.882 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1)c1ccccc1 ZINC001313665210 1070879627 /nfs/dbraw/zinc/87/96/27/1070879627.db2.gz QGSXKWHDLUFSLL-ISKFKSNPSA-N 1 0 450.635 3.795 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccccn2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001314708025 1070880207 /nfs/dbraw/zinc/88/02/07/1070880207.db2.gz ZXMJMXYPKJCKGD-UHFFFAOYSA-N 1 0 481.670 3.665 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1 ZINC001313665965 1070881516 /nfs/dbraw/zinc/88/15/16/1070881516.db2.gz FPEWCEJXFMMHGU-RNHFSVANSA-N 1 0 476.666 3.697 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001313667687 1070889295 /nfs/dbraw/zinc/88/92/95/1070889295.db2.gz ZPZVALARFNMQPP-PZJWPPBQSA-N 1 0 478.682 3.644 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001313666065 1070882417 /nfs/dbraw/zinc/88/24/17/1070882417.db2.gz GOUJYUFKZFCPHP-AZUAARDMSA-N 1 0 469.609 3.889 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccsc1 ZINC001313666252 1070883119 /nfs/dbraw/zinc/88/31/19/1070883119.db2.gz VKCCBIGLNRFIRI-LEWJYISDSA-N 1 0 488.702 3.910 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C ZINC001313666756 1070885849 /nfs/dbraw/zinc/88/58/49/1070885849.db2.gz IZOPIEMRURYHNY-RTBURBONSA-N 1 0 464.655 3.696 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC001313666988 1070886937 /nfs/dbraw/zinc/88/69/37/1070886937.db2.gz ZGQOGBOGTFGNTM-PKTZIBPZSA-N 1 0 478.645 3.574 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001313667808 1070890172 /nfs/dbraw/zinc/89/01/72/1070890172.db2.gz NDJFYULZUQYNJK-FCHUYYIVSA-N 1 0 466.634 3.637 20 0 JHADRO CN(CC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001314710304 1070888800 /nfs/dbraw/zinc/88/88/00/1070888800.db2.gz RNASLUWELWCFJM-JOCHJYFZSA-N 1 0 452.647 3.907 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313667735 1070890242 /nfs/dbraw/zinc/89/02/42/1070890242.db2.gz LSKIPWVQMPZACB-QWFCFKBJSA-N 1 0 469.552 3.786 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Oc2ccccc2)C1 ZINC001313668022 1070891017 /nfs/dbraw/zinc/89/10/17/1070891017.db2.gz NNIGLSDZAXYVQA-UPVQGACJSA-N 1 0 465.646 3.918 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001313668619 1070893001 /nfs/dbraw/zinc/89/30/01/1070893001.db2.gz RXGPUVRJLHIZFD-MHTWAQMVSA-N 1 0 476.666 3.696 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(Cc2ccsc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314711942 1070893766 /nfs/dbraw/zinc/89/37/66/1070893766.db2.gz BONIYMMQXUZORM-UHFFFAOYSA-N 1 0 488.746 3.990 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CCc2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001313669315 1070894081 /nfs/dbraw/zinc/89/40/81/1070894081.db2.gz VITJLIRRPMKLGO-NRFANRHFSA-N 1 0 461.658 3.817 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2OC)CC1 ZINC001313669844 1070895644 /nfs/dbraw/zinc/89/56/44/1070895644.db2.gz DUBQVWOFMOLWIX-FQEVSTJZSA-N 1 0 468.671 3.996 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001313669988 1070895974 /nfs/dbraw/zinc/89/59/74/1070895974.db2.gz XLBSDUOIBKCDPN-HXUWFJFHSA-N 1 0 486.636 3.708 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314713069 1070899560 /nfs/dbraw/zinc/89/95/60/1070899560.db2.gz CLWKGDPMLLIICU-JOCHJYFZSA-N 1 0 484.620 3.775 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313670447 1070897345 /nfs/dbraw/zinc/89/73/45/1070897345.db2.gz ZRJCOVYZMYYFBI-SBUREZEXSA-N 1 0 479.094 3.917 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CC(N)=O)C1)c1ccsc1 ZINC001313670850 1070898247 /nfs/dbraw/zinc/89/82/47/1070898247.db2.gz CUISYYFYPWYMLW-UGKGYDQZSA-N 1 0 481.670 3.885 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CC(N)=O)C1)c1ccsc1 ZINC001313670848 1070898267 /nfs/dbraw/zinc/89/82/67/1070898267.db2.gz CUISYYFYPWYMLW-KNQAVFIVSA-N 1 0 481.670 3.885 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001313671549 1070900346 /nfs/dbraw/zinc/90/03/46/1070900346.db2.gz RLSKQNKNVDDTBL-XMSQKQJNSA-N 1 0 470.691 3.786 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccco1 ZINC001313672041 1070901431 /nfs/dbraw/zinc/90/14/31/1070901431.db2.gz MGHICYCNPFAZBK-MJGOQNOKSA-N 1 0 493.534 3.959 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001313672060 1070902677 /nfs/dbraw/zinc/90/26/77/1070902677.db2.gz MHOWNBAHZNSRDU-RTBURBONSA-N 1 0 458.607 3.935 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc([C@H]2CCCCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001314714290 1070903520 /nfs/dbraw/zinc/90/35/20/1070903520.db2.gz RZQRSUVLDGMQFP-JOCHJYFZSA-N 1 0 476.710 3.579 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](OC)C(C)(C)C1)c1ccccc1 ZINC001313673943 1070909938 /nfs/dbraw/zinc/90/99/38/1070909938.db2.gz SWRFBUPYBWHACG-VXKWHMMOSA-N 1 0 451.619 3.623 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C)C1)c1ccco1 ZINC001313673119 1070905652 /nfs/dbraw/zinc/90/56/52/1070905652.db2.gz BZKIPOVYALAICA-ZWKOTPCHSA-N 1 0 488.683 3.887 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314716658 1070907034 /nfs/dbraw/zinc/90/70/34/1070907034.db2.gz DHHSGRXCAUEXCX-SFHVURJKSA-N 1 0 477.535 3.571 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccsc1 ZINC001313675871 1070918927 /nfs/dbraw/zinc/91/89/27/1070918927.db2.gz SABZOHQPCGULDX-REWPJTCUSA-N 1 0 496.681 3.977 20 0 JHADRO CN(CC(F)(F)F)c1nnc(CCOc2ccccc2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001314718682 1070911180 /nfs/dbraw/zinc/91/11/80/1070911180.db2.gz ZEJTULPVYOWVHM-UHFFFAOYSA-N 1 0 481.563 3.933 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 ZINC001313674350 1070911302 /nfs/dbraw/zinc/91/13/02/1070911302.db2.gz VEUVIYMKTQWNRE-URXFXBBRSA-N 1 0 452.647 3.981 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1)c1ccco1 ZINC001313674517 1070911851 /nfs/dbraw/zinc/91/18/51/1070911851.db2.gz OGSFRXSRWSOYIL-QFIPXVFZSA-N 1 0 495.628 3.931 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCS[C@H](C)[C@@H]1C)c1ccsc1 ZINC001313674877 1070913615 /nfs/dbraw/zinc/91/36/15/1070913615.db2.gz MASCRVYXFAJGNB-NLWGTHIKSA-N 1 0 476.716 3.875 20 0 JHADRO CN(Cc1c(F)cccc1Cl)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314720210 1070914324 /nfs/dbraw/zinc/91/43/24/1070914324.db2.gz QVPZTIYEVQUDJO-KRWDZBQOSA-N 1 0 498.068 3.874 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC(C)(C)OC(C)(C)C1)c1ccco1 ZINC001313675239 1070915119 /nfs/dbraw/zinc/91/51/19/1070915119.db2.gz YOKRMXHBHLVMTE-IBGZPJMESA-N 1 0 453.591 3.805 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccco1 ZINC001313675198 1070915140 /nfs/dbraw/zinc/91/51/40/1070915140.db2.gz XWYNCSWDCOQQTA-WOJBJXKFSA-N 1 0 456.635 3.963 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccco1 ZINC001313675221 1070915199 /nfs/dbraw/zinc/91/51/99/1070915199.db2.gz YHQATRVOEBBTEI-RTBURBONSA-N 1 0 471.993 3.590 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccsc1 ZINC001313675457 1070916686 /nfs/dbraw/zinc/91/66/86/1070916686.db2.gz UJQXYELTOGSUDJ-VQIMIIECSA-N 1 0 488.061 3.805 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccsc1 ZINC001313675725 1070918068 /nfs/dbraw/zinc/91/80/68/1070918068.db2.gz AVGQGEDIJHEOKJ-AVRDEDQJSA-N 1 0 484.645 3.820 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(C2CCC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314724253 1070925103 /nfs/dbraw/zinc/92/51/03/1070925103.db2.gz DKCYFYZOIYKACY-GOSISDBHSA-N 1 0 451.537 3.836 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 ZINC001313677854 1070926753 /nfs/dbraw/zinc/92/67/53/1070926753.db2.gz MOBITIZLDYOZQY-PZUNEJSGSA-N 1 0 482.673 3.608 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314725366 1070929061 /nfs/dbraw/zinc/92/90/61/1070929061.db2.gz BPLMKRYOGNXFPM-UHFFFAOYSA-N 1 0 476.423 3.935 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc(-c2cnn(C)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314726691 1070935233 /nfs/dbraw/zinc/93/52/33/1070935233.db2.gz SSDQZCKIKGMUNE-QGZVFWFLSA-N 1 0 476.423 3.791 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314727045 1070936272 /nfs/dbraw/zinc/93/62/72/1070936272.db2.gz XFYBKFOIBOBMHM-LSDHHAIUSA-N 1 0 493.431 3.586 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2n[nH]c(C)n2)CC1 ZINC001313691749 1070952131 /nfs/dbraw/zinc/95/21/31/1070952131.db2.gz WKYDIXYMMGINQH-KRWDZBQOSA-N 1 0 470.597 3.537 20 0 JHADRO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc(CN2CCCC2=O)n1CC[NH+]1CCCCCC1 ZINC001314731225 1070949659 /nfs/dbraw/zinc/94/96/59/1070949659.db2.gz NIFRMVZFYNHTJU-UHFFFAOYSA-N 1 0 478.563 3.932 20 0 JHADRO CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001313690909 1070950112 /nfs/dbraw/zinc/95/01/12/1070950112.db2.gz ZFZBXDAPRCPWPZ-HXUWFJFHSA-N 1 0 473.622 3.526 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCCCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314731594 1070950320 /nfs/dbraw/zinc/95/03/20/1070950320.db2.gz OSOCOPRRHNWRTL-SFHVURJKSA-N 1 0 467.083 3.897 20 0 JHADRO CN(Cc1ccc(F)c(F)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314732920 1070954184 /nfs/dbraw/zinc/95/41/84/1070954184.db2.gz LUZDBXDSBLAYEM-HXUWFJFHSA-N 1 0 460.573 3.549 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001313693797 1070955276 /nfs/dbraw/zinc/95/52/76/1070955276.db2.gz OIGBOPJPIXTFSZ-REWPJTCUSA-N 1 0 476.065 3.884 20 0 JHADRO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314733461 1070955457 /nfs/dbraw/zinc/95/54/57/1070955457.db2.gz CBLMHYINBMTTEN-IBGZPJMESA-N 1 0 465.499 3.813 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(F)cc(OC)c2)CC1 ZINC001313694920 1070958029 /nfs/dbraw/zinc/95/80/29/1070958029.db2.gz XZBQDMIKLYCTAZ-UHFFFAOYSA-N 1 0 452.578 3.771 20 0 JHADRO CN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314734790 1070958069 /nfs/dbraw/zinc/95/80/69/1070958069.db2.gz KCMLXSIJEVAHPT-RTBURBONSA-N 1 0 460.554 3.508 20 0 JHADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001309767229 1070959490 /nfs/dbraw/zinc/95/94/90/1070959490.db2.gz VNRFYZNACNKDBI-QGZVFWFLSA-N 1 0 458.024 3.582 20 0 JHADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1Br ZINC001309767319 1070960128 /nfs/dbraw/zinc/96/01/28/1070960128.db2.gz JTKSIPHZHQEBGB-YWZLYKJASA-N 1 0 455.393 3.918 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001313695774 1070961409 /nfs/dbraw/zinc/96/14/09/1070961409.db2.gz BWEIWWHEUCFOIN-UHFFFAOYSA-N 1 0 480.661 3.871 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001313696198 1070962671 /nfs/dbraw/zinc/96/26/71/1070962671.db2.gz DTDJQCFXARFWKR-FCHUYYIVSA-N 1 0 459.660 3.876 20 0 JHADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314736613 1070963873 /nfs/dbraw/zinc/96/38/73/1070963873.db2.gz JDTANJZVVCGXPK-GOSISDBHSA-N 1 0 451.562 3.660 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 ZINC001313697228 1070965842 /nfs/dbraw/zinc/96/58/42/1070965842.db2.gz XBKUVNYUWIWFOZ-GOSISDBHSA-N 1 0 455.582 3.596 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(C)(C)C(=O)NC)CC1 ZINC001313698262 1070970165 /nfs/dbraw/zinc/97/01/65/1070970165.db2.gz VZISJVZUQXWKLO-UHFFFAOYSA-N 1 0 452.603 3.774 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)S(=O)(=O)c3ccccc3-c3ccno3)cc2)C[C@H](C)O1 ZINC001309796372 1070972373 /nfs/dbraw/zinc/97/23/73/1070972373.db2.gz GBZQIVBFUQUOLH-KDURUIRLSA-N 1 0 455.580 3.772 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCCC[NH+]1CCCC1 ZINC001314739507 1070972962 /nfs/dbraw/zinc/97/29/62/1070972962.db2.gz UGJXPLVUTLXYNH-HXUWFJFHSA-N 1 0 489.462 3.894 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CC2(CC)CCCC2)CC1 ZINC001313700019 1070975843 /nfs/dbraw/zinc/97/58/43/1070975843.db2.gz SKIHMJKWTMEEQY-UHFFFAOYSA-N 1 0 452.647 3.906 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2[C@@H]2C[C@H]2C)CC1 ZINC001313699410 1070973904 /nfs/dbraw/zinc/97/39/04/1070973904.db2.gz XRBDCINTKXHUEW-VQIMIIECSA-N 1 0 495.455 3.735 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC3CCCC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC001313699656 1070974719 /nfs/dbraw/zinc/97/47/19/1070974719.db2.gz FYEOEEWLEQZFDA-QHCPKHFHSA-N 1 0 473.687 3.524 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[C@@H](C)C2)c1 ZINC001313700192 1070976739 /nfs/dbraw/zinc/97/67/39/1070976739.db2.gz PUYRKAAKNIXPHS-PMACEKPBSA-N 1 0 461.614 3.908 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001313701957 1070982124 /nfs/dbraw/zinc/98/21/24/1070982124.db2.gz CQHRZEKVYHIWEO-FQEVSTJZSA-N 1 0 480.579 3.796 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C(N)=O)C2)c1 ZINC001313702017 1070982198 /nfs/dbraw/zinc/98/21/98/1070982198.db2.gz FRBVCXKAYJFRCW-WXFUMESZSA-N 1 0 496.700 3.789 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC(F)(F)CO2)C1 ZINC001313702258 1070983450 /nfs/dbraw/zinc/98/34/50/1070983450.db2.gz NLXVJVLOGHVRSK-MJGOQNOKSA-N 1 0 479.572 3.555 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001313703656 1070987396 /nfs/dbraw/zinc/98/73/96/1070987396.db2.gz CTBXIZCXCOBSOL-XZOQPEGZSA-N 1 0 487.714 3.943 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 ZINC001313703010 1070985427 /nfs/dbraw/zinc/98/54/27/1070985427.db2.gz DFJSIPLEQMVBJX-HXUWFJFHSA-N 1 0 454.663 3.814 20 0 JHADRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001309827710 1070986648 /nfs/dbraw/zinc/98/66/48/1070986648.db2.gz VEBOXKUAPUOTLG-FQEVSTJZSA-N 1 0 455.462 3.977 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC001313704914 1070992563 /nfs/dbraw/zinc/99/25/63/1070992563.db2.gz NHBFPQGSVFQROS-DEOSSOPVSA-N 1 0 496.700 3.584 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N(C)C2CCC(NC(C)=O)CC2)c1 ZINC001313703763 1070988096 /nfs/dbraw/zinc/98/80/96/1070988096.db2.gz RCTSVJMUBKPVTF-CZUALIRWSA-N 1 0 482.673 3.556 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CC(C)C)nnc2N2CCC[C@H](N3CCCC3=O)C2)c1 ZINC001313704072 1070989339 /nfs/dbraw/zinc/98/93/39/1070989339.db2.gz UDXSJVOZJWPPNC-DEOSSOPVSA-N 1 0 466.674 3.958 20 0 JHADRO CN(Cc1cccc(Cl)c1)c1nnc(CN2CCCC2=O)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314745981 1070989658 /nfs/dbraw/zinc/98/96/58/1070989658.db2.gz WYGDXEYXUZTNGG-UHFFFAOYSA-N 1 0 459.038 3.955 20 0 JHADRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2csc(-c3ccccc3)n2)CCOCC1 ZINC001309839484 1070992018 /nfs/dbraw/zinc/99/20/18/1070992018.db2.gz VNUKGHUVWWOHEQ-UHFFFAOYSA-N 1 0 457.621 3.770 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H](C)c2ccc(C)cc2)CC1 ZINC001313705262 1070993102 /nfs/dbraw/zinc/99/31/02/1070993102.db2.gz SXNUCOXWRHTBJP-QFIPXVFZSA-N 1 0 454.663 3.579 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC001313705183 1070993144 /nfs/dbraw/zinc/99/31/44/1070993144.db2.gz BXVYNMFJOMPBRY-PWRODBHTSA-N 1 0 476.710 3.814 20 0 JHADRO CN(Cc1ccccc1Br)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314746815 1070993091 /nfs/dbraw/zinc/99/30/91/1070993091.db2.gz RKQDEVAJVFKKQQ-MSOLQXFVSA-N 1 0 487.402 3.524 20 0 JHADRO CN(Cc1ccccc1Br)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314746817 1070993118 /nfs/dbraw/zinc/99/31/18/1070993118.db2.gz RKQDEVAJVFKKQQ-ROUUACIJSA-N 1 0 487.402 3.524 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(N(C)C(C)=O)CC2)cc1 ZINC001313705333 1070993740 /nfs/dbraw/zinc/99/37/40/1070993740.db2.gz QVBCYDWMQALPHD-UHFFFAOYSA-N 1 0 489.668 3.986 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)C1 ZINC001313707445 1070998191 /nfs/dbraw/zinc/99/81/91/1070998191.db2.gz NREAQABTDTUCCL-RTWAWAEBSA-N 1 0 460.692 3.705 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001313707526 1070998200 /nfs/dbraw/zinc/99/82/00/1070998200.db2.gz OFMHYQTWCVHVFM-QGZVFWFLSA-N 1 0 477.535 3.636 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccn3C)n2CC(=O)Nc2c(C)cccc2C)C1 ZINC001313707484 1070998206 /nfs/dbraw/zinc/99/82/06/1070998206.db2.gz NEXWEDPXNSOSKY-OAQYLSRUSA-N 1 0 463.630 3.707 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(O)c2)C1 ZINC001313705894 1070994946 /nfs/dbraw/zinc/99/49/46/1070994946.db2.gz FNMAQGLHNBCGOY-SFHVURJKSA-N 1 0 487.446 3.968 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCSC2)C1 ZINC001313706232 1070995757 /nfs/dbraw/zinc/99/57/57/1070995757.db2.gz AVAFMVPQRYNMHX-VGOFRKELSA-N 1 0 450.052 3.635 20 0 JHADRO CC(C)Oc1ccc(S(=O)(=O)N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001309852901 1070995961 /nfs/dbraw/zinc/99/59/61/1070995961.db2.gz PEVRVXVRQMGDAN-QFIPXVFZSA-N 1 0 458.624 3.966 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3)n2CCn2cc(Br)cn2)C1 ZINC001313706259 1070996406 /nfs/dbraw/zinc/99/64/06/1070996406.db2.gz BBPSSVDKUVKXEX-GOSISDBHSA-N 1 0 472.435 3.772 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001313706805 1070996798 /nfs/dbraw/zinc/99/67/98/1070996798.db2.gz FNMXIFCBHOVLTE-HXUWFJFHSA-N 1 0 464.618 3.583 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccs2)N2CCOCC2)C1 ZINC001313706698 1070996935 /nfs/dbraw/zinc/99/69/35/1070996935.db2.gz IPTPRTYLKAHVMP-LEWJYISDSA-N 1 0 474.719 3.879 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001313710035 1071003360 /nfs/dbraw/zinc/00/33/60/1071003360.db2.gz HNCTYKIMMQHWFI-FSSWDIPSSA-N 1 0 490.693 3.597 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(NC(=O)OC)c2)C1 ZINC001313707933 1070998912 /nfs/dbraw/zinc/99/89/12/1070998912.db2.gz VSWFGNQKNCXLNU-IBGZPJMESA-N 1 0 451.575 3.668 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccn2C(F)F)C1 ZINC001313707752 1070998937 /nfs/dbraw/zinc/99/89/37/1070998937.db2.gz PJKCCUDMYVXTRV-AWEZNQCLSA-N 1 0 497.392 3.844 20 0 JHADRO CN(Cc1ccccc1N1CCOCC1)c1nnc(CC(C)(C)C)n1CC[N@H+]1CC=CCC1 ZINC001314750965 1071003492 /nfs/dbraw/zinc/00/34/92/1071003492.db2.gz OWHOBTYRWJRIQP-UHFFFAOYSA-N 1 0 452.647 3.602 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCc2ccnc(C(C)(C)C)n2)C1 ZINC001313707940 1070999805 /nfs/dbraw/zinc/99/98/05/1070999805.db2.gz VXFBUMSVRDPLRX-HXUWFJFHSA-N 1 0 477.661 3.624 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCS2)C1 ZINC001313708375 1071000049 /nfs/dbraw/zinc/00/00/49/1071000049.db2.gz UYPSOFUYAJRPCW-PZJWPPBQSA-N 1 0 491.105 3.925 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](COC)C1 ZINC001313710068 1071003789 /nfs/dbraw/zinc/00/37/89/1071003789.db2.gz AFMKUCQZYVVLHC-KRWDZBQOSA-N 1 0 467.456 3.641 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001313710084 1071003836 /nfs/dbraw/zinc/00/38/36/1071003836.db2.gz AXKNQDIANZMYBJ-NTKDMRAZSA-N 1 0 478.037 3.799 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C3CC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001313709372 1071001840 /nfs/dbraw/zinc/00/18/40/1071001840.db2.gz CZWMUCMTIJIHAX-VGOFRKELSA-N 1 0 451.537 3.774 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001313709514 1071002541 /nfs/dbraw/zinc/00/25/41/1071002541.db2.gz MVTGNINNXSHCTR-GGAORHGYSA-N 1 0 468.646 3.884 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCOC2)C1 ZINC001313709893 1071003228 /nfs/dbraw/zinc/00/32/28/1071003228.db2.gz TXMHDSVHPULFJJ-MOPGFXCFSA-N 1 0 492.462 3.824 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2c(C)noc2C)C1 ZINC001313710892 1071005284 /nfs/dbraw/zinc/00/52/84/1071005284.db2.gz CIQMYVKAGQKJRB-FQEVSTJZSA-N 1 0 452.603 3.699 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)OC)C1 ZINC001313710994 1071005813 /nfs/dbraw/zinc/00/58/13/1071005813.db2.gz LCOCGXLNAIZROM-RTWAWAEBSA-N 1 0 492.709 3.986 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001313712686 1071009301 /nfs/dbraw/zinc/00/93/01/1071009301.db2.gz RUQBQFGCIHPLPU-UHFFFAOYSA-N 1 0 468.067 3.734 20 0 JHADRO CN(Cc1ccco1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001314755097 1071008730 /nfs/dbraw/zinc/00/87/30/1071008730.db2.gz PVXJPUINNVGQME-UHFFFAOYSA-N 1 0 471.005 3.965 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCSC2(C)C)C1 ZINC001313710399 1071004148 /nfs/dbraw/zinc/00/41/48/1071004148.db2.gz ZSKYJYGTPASBNG-ANULTFPQSA-N 1 0 465.708 3.702 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC2(CCOCC2)C1 ZINC001313713104 1071009858 /nfs/dbraw/zinc/00/98/58/1071009858.db2.gz YJQSKLKOZREBFK-UHFFFAOYSA-N 1 0 478.037 3.725 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001313712841 1071009995 /nfs/dbraw/zinc/00/99/95/1071009995.db2.gz VQNIISKGCPNMJC-UHFFFAOYSA-N 1 0 492.672 3.561 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2(C)CCOCC2)C1 ZINC001313713568 1071010723 /nfs/dbraw/zinc/01/07/23/1071010723.db2.gz QYZBFYWCUCJAEB-NRFANRHFSA-N 1 0 455.647 3.862 20 0 JHADRO CN(Cc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314757092 1071011115 /nfs/dbraw/zinc/01/11/15/1071011115.db2.gz LPENODSTGFVIQU-IBGZPJMESA-N 1 0 465.421 3.702 20 0 JHADRO CN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+](C)C1CCCCC1 ZINC001314757226 1071011131 /nfs/dbraw/zinc/01/11/31/1071011131.db2.gz IBRLENGNGRFDFZ-UHFFFAOYSA-N 1 0 453.616 3.888 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(F)(F)F)n2)C1 ZINC001313714085 1071011678 /nfs/dbraw/zinc/01/16/78/1071011678.db2.gz WLPGTJWFAVGUSZ-SFHVURJKSA-N 1 0 473.547 3.894 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO2)C1 ZINC001313714142 1071011837 /nfs/dbraw/zinc/01/18/37/1071011837.db2.gz XCSKTPHGEZPRCY-BHDDXSALSA-N 1 0 490.693 3.740 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccn2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001313714219 1071011851 /nfs/dbraw/zinc/01/18/51/1071011851.db2.gz HXZSVVYGWZQQIT-OAQYLSRUSA-N 1 0 461.614 3.561 20 0 JHADRO CC[NH+](CC)CCCn1c(CC(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001313715494 1071014541 /nfs/dbraw/zinc/01/45/41/1071014541.db2.gz CKCMIDZRDNQYTH-UHFFFAOYSA-N 1 0 479.044 3.963 20 0 JHADRO CN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1CC1([NH+](C)C)CCOCC1 ZINC001314759314 1071014706 /nfs/dbraw/zinc/01/47/06/1071014706.db2.gz ZNJADZKKPYFGSZ-UHFFFAOYSA-N 1 0 461.582 3.956 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313714855 1071012897 /nfs/dbraw/zinc/01/28/97/1071012897.db2.gz UMXQIFPKUFNNFH-HXUWFJFHSA-N 1 0 472.634 3.789 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001313714769 1071012979 /nfs/dbraw/zinc/01/29/79/1071012979.db2.gz QVTVJQYCBKVRLV-NRFANRHFSA-N 1 0 480.592 3.612 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Cl)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001313714866 1071013035 /nfs/dbraw/zinc/01/30/35/1071013035.db2.gz UVEZVEVVKXXBNC-UHFFFAOYSA-N 1 0 468.067 3.734 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001313714794 1071013097 /nfs/dbraw/zinc/01/30/97/1071013097.db2.gz RNNQXJMWDKNPAQ-UHFFFAOYSA-N 1 0 453.660 3.764 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001313715219 1071013455 /nfs/dbraw/zinc/01/34/55/1071013455.db2.gz HKKXOFZGCRDNDX-UHFFFAOYSA-N 1 0 467.593 3.546 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001313719098 1071019867 /nfs/dbraw/zinc/01/98/67/1071019867.db2.gz XRVHRUANNMXNFM-UHFFFAOYSA-N 1 0 477.535 3.539 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2ccccc2F)n1CC[NH+]1CCCC1 ZINC001314762353 1071019954 /nfs/dbraw/zinc/01/99/54/1071019954.db2.gz NGDUOLKYIQPRFW-UHFFFAOYSA-N 1 0 451.472 3.569 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC=C(C)C1 ZINC001313717701 1071017353 /nfs/dbraw/zinc/01/73/53/1071017353.db2.gz IQZFBZRWTMQFHX-QFIPXVFZSA-N 1 0 490.693 3.907 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001313717944 1071017780 /nfs/dbraw/zinc/01/77/80/1071017780.db2.gz HFERKLHJQLVDSA-JTHBVZDNSA-N 1 0 459.610 3.603 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313717767 1071017877 /nfs/dbraw/zinc/01/78/77/1071017877.db2.gz RRGZVJQALSTRRT-UHFFFAOYSA-N 1 0 476.616 3.574 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(CC2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314763055 1071021496 /nfs/dbraw/zinc/02/14/96/1071021496.db2.gz PQWUSHFGNHXQKY-NRFANRHFSA-N 1 0 485.624 3.837 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Br)nnc1N1CCc2oncc2C1 ZINC001313721987 1071025740 /nfs/dbraw/zinc/02/57/40/1071025740.db2.gz OMKVOVDOJPAAFW-OAHLLOKOSA-N 1 0 459.392 3.989 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001313721224 1071023409 /nfs/dbraw/zinc/02/34/09/1071023409.db2.gz IGVDWBZLWAKSBQ-GIVPXCGWSA-N 1 0 457.619 3.555 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC(F)(F)C1 ZINC001313721310 1071023969 /nfs/dbraw/zinc/02/39/69/1071023969.db2.gz YKKJQCJSLNVIBR-UHFFFAOYSA-N 1 0 478.407 3.973 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001313721485 1071024576 /nfs/dbraw/zinc/02/45/76/1071024576.db2.gz DKYPELLIDZWDAZ-QGZVFWFLSA-N 1 0 496.578 3.579 20 0 JHADRO CC1(C)CCN(S(=O)(=O)c2cc(Br)cc(Br)c2)CC(C)(C)[NH2+]1 ZINC001309960424 1071029050 /nfs/dbraw/zinc/02/90/50/1071029050.db2.gz OGJLUSROVTZXHN-UHFFFAOYSA-N 1 0 454.228 3.753 20 0 JHADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001309962627 1071029743 /nfs/dbraw/zinc/02/97/43/1071029743.db2.gz ATVLNPRSWMRQCX-UHFFFAOYSA-N 1 0 453.402 3.524 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCN(Cc2cc(C)no2)CC1 ZINC001313724451 1071030601 /nfs/dbraw/zinc/03/06/01/1071030601.db2.gz QLPNIKCAYHSTDY-JOCHJYFZSA-N 1 0 465.646 3.526 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC001313724368 1071030642 /nfs/dbraw/zinc/03/06/42/1071030642.db2.gz SYXGBDWIKFRTJT-OAQYLSRUSA-N 1 0 461.614 3.540 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001313724281 1071030731 /nfs/dbraw/zinc/03/07/31/1071030731.db2.gz OBAWZTKJNQGHDY-GOSISDBHSA-N 1 0 459.038 3.778 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1 ZINC001313724510 1071031074 /nfs/dbraw/zinc/03/10/74/1071031074.db2.gz RFRJUXHDTDJBQI-NJDAHSKKSA-N 1 0 478.682 3.943 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313723149 1071028362 /nfs/dbraw/zinc/02/83/62/1071028362.db2.gz AIMUMBDTGNNMPN-SJORKVTESA-N 1 0 488.549 3.950 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001313724885 1071031601 /nfs/dbraw/zinc/03/16/01/1071031601.db2.gz SXFHCMGPLIUUEO-VWPQPMDRSA-N 1 0 490.718 3.941 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001313724875 1071031644 /nfs/dbraw/zinc/03/16/44/1071031644.db2.gz SQEBHQSMDKRFNB-DYESRHJHSA-N 1 0 489.571 3.588 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001313727032 1071036277 /nfs/dbraw/zinc/03/62/77/1071036277.db2.gz KOGUQJOBENNULB-DRLORSAXSA-N 1 0 471.646 3.588 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001313725180 1071032010 /nfs/dbraw/zinc/03/20/10/1071032010.db2.gz GSICIEWKLFRSGW-NFBKMPQASA-N 1 0 473.637 3.963 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cccc(F)c2)CC1 ZINC001313725192 1071032133 /nfs/dbraw/zinc/03/21/33/1071032133.db2.gz HCEDHHPKZGEFLQ-OFNKIYASSA-N 1 0 458.626 3.711 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001313725973 1071034226 /nfs/dbraw/zinc/03/42/26/1071034226.db2.gz WDHVCLWAJULFMD-QPPBQGQZSA-N 1 0 482.673 3.991 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3C[C@@H](C)[NH+](CC)CC)CCO2)cn1 ZINC001313726158 1071034711 /nfs/dbraw/zinc/03/47/11/1071034711.db2.gz ADXOFZIHBIZCQO-XBYSBRQOSA-N 1 0 487.693 3.721 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(Cc2cccnc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314771158 1071035018 /nfs/dbraw/zinc/03/50/18/1071035018.db2.gz HXROKASILODCCE-INIZCTEOSA-N 1 0 465.549 3.716 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313727415 1071037197 /nfs/dbraw/zinc/03/71/97/1071037197.db2.gz RNJXAAWBRQPEPG-HSZRJFAPSA-N 1 0 484.689 3.899 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001313727477 1071037238 /nfs/dbraw/zinc/03/72/38/1071037238.db2.gz AXDIGYWRCZFZMW-UFPGJGBJSA-N 1 0 455.647 3.568 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cccnc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001313727993 1071038150 /nfs/dbraw/zinc/03/81/50/1071038150.db2.gz BYXPEZDSAFHHIH-IBGZPJMESA-N 1 0 461.614 3.551 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001313727810 1071038217 /nfs/dbraw/zinc/03/82/17/1071038217.db2.gz HQNPQBRYFXHQJL-MRXNPFEDSA-N 1 0 461.408 3.986 20 0 JHADRO CCC[N@H+](C)[C@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1 ZINC001309985484 1071039727 /nfs/dbraw/zinc/03/97/27/1071039727.db2.gz ZHILMFBIZSOOBG-HXUWFJFHSA-N 1 0 453.008 3.795 20 0 JHADRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC001309991060 1071041368 /nfs/dbraw/zinc/04/13/68/1071041368.db2.gz KJRHJMFHXZGPKV-GBESFXJTSA-N 1 0 456.612 3.643 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(Cl)nc2)n1CC[NH+]1CCCCCC1 ZINC001314773543 1071042011 /nfs/dbraw/zinc/04/20/11/1071042011.db2.gz HPLASCRDCUAGNE-UHFFFAOYSA-N 1 0 463.417 3.893 20 0 JHADRO C[C@@H]1C[C@H](CCNC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC001309993690 1071043360 /nfs/dbraw/zinc/04/33/60/1071043360.db2.gz KJFFACQMGLUKFN-CTNGQTDRSA-N 1 0 456.612 3.649 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[NH+]1CCCC1 ZINC001313730295 1071044160 /nfs/dbraw/zinc/04/41/60/1071044160.db2.gz RLHDTGWISIANCI-DEOSSOPVSA-N 1 0 463.573 3.719 20 0 JHADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C[C@@H]1C ZINC001309994662 1071044338 /nfs/dbraw/zinc/04/43/38/1071044338.db2.gz DUBXQFATMDQKCN-WMZOPIPTSA-N 1 0 457.040 3.851 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001313730460 1071045181 /nfs/dbraw/zinc/04/51/81/1071045181.db2.gz YYRKKCPLTFSENB-GOSISDBHSA-N 1 0 495.093 3.612 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001313734175 1071053529 /nfs/dbraw/zinc/05/35/29/1071053529.db2.gz MNRGWODJZDXGOV-QFIPXVFZSA-N 1 0 456.610 3.654 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313734158 1071053669 /nfs/dbraw/zinc/05/36/69/1071053669.db2.gz MHMBESPUNYHPCK-CTNGQTDRSA-N 1 0 491.677 3.856 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001313733007 1071051122 /nfs/dbraw/zinc/05/11/22/1071051122.db2.gz LFQNYQFLHVBKAV-UHFFFAOYSA-N 1 0 479.604 3.894 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C2CCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001313732931 1071051184 /nfs/dbraw/zinc/05/11/84/1071051184.db2.gz HSCHEXNHEFRDMQ-VWLOTQADSA-N 1 0 470.687 3.711 20 0 JHADRO COc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(OC)cc1NC(=O)c1ccccc1 ZINC001310004892 1071052464 /nfs/dbraw/zinc/05/24/64/1071052464.db2.gz DHIUVNVGEZKQMW-GOSISDBHSA-N 1 0 452.555 3.906 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001313734453 1071054283 /nfs/dbraw/zinc/05/42/83/1071054283.db2.gz RHWFVEGXBKJYAN-ISKFKSNPSA-N 1 0 482.673 3.631 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001313734531 1071054648 /nfs/dbraw/zinc/05/46/48/1071054648.db2.gz RZEBXTCZIZXAAU-GMAHTHKFSA-N 1 0 496.681 3.875 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(CC(C)C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001313734505 1071054703 /nfs/dbraw/zinc/05/47/03/1071054703.db2.gz RQSXVBKJQDETTC-OAQYLSRUSA-N 1 0 454.663 3.937 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001313734732 1071055231 /nfs/dbraw/zinc/05/52/31/1071055231.db2.gz AVXWRYAHLUFNDK-GOTSBHOMSA-N 1 0 468.646 3.775 20 0 JHADRO CN(CC1CC1)c1nnc(-c2ccc(F)cc2Br)n1CCCC[NH+]1CCOCC1 ZINC001314788165 1071064731 /nfs/dbraw/zinc/06/47/31/1071064731.db2.gz UEYSJCZVIRPDQB-UHFFFAOYSA-N 1 0 466.399 3.805 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](Cn3ccccc3=O)c3ccccc3)c(C)c2)CC1 ZINC001310019959 1071064690 /nfs/dbraw/zinc/06/46/90/1071064690.db2.gz PFKYQZMLBQPGQR-RUZDIDTESA-N 1 0 459.594 3.862 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001313740578 1071065710 /nfs/dbraw/zinc/06/57/10/1071065710.db2.gz BYNAMAYUTRFFRL-NRFANRHFSA-N 1 0 450.587 3.873 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](Cn3ccccc3=O)c3ccccc3)c(C)c2)CC1 ZINC001310019961 1071064545 /nfs/dbraw/zinc/06/45/45/1071064545.db2.gz PFKYQZMLBQPGQR-VWLOTQADSA-N 1 0 459.594 3.862 20 0 JHADRO CCN(Cc1ccccc1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C(C)C ZINC001313744430 1071071652 /nfs/dbraw/zinc/07/16/52/1071071652.db2.gz QRTDSQVDRFRZTD-JOCHJYFZSA-N 1 0 486.661 3.953 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001313743540 1071070685 /nfs/dbraw/zinc/07/06/85/1071070685.db2.gz CDYGRTIXKYGGEZ-NHCUHLMSSA-N 1 0 470.637 3.934 20 0 JHADRO CN(CC1CCCCC1)c1nnc(CNC(=O)c2cccs2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314799272 1071077583 /nfs/dbraw/zinc/07/75/83/1071077583.db2.gz ORFSNLMUYRATKX-HSZRJFAPSA-N 1 0 476.716 3.723 20 0 JHADRO CCN(Cc1cccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[NH+]1CCCC1 ZINC001313748502 1071078720 /nfs/dbraw/zinc/07/87/20/1071078720.db2.gz RNHXHRYNBFGJDZ-UHFFFAOYSA-N 1 0 459.641 3.532 20 0 JHADRO COc1ccccc1CCNC(=O)CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001310044431 1071081201 /nfs/dbraw/zinc/08/12/01/1071081201.db2.gz ROVWXTYLSLYSNM-UHFFFAOYSA-N 1 0 452.599 3.940 20 0 JHADRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)CC1 ZINC001310046089 1071082315 /nfs/dbraw/zinc/08/23/15/1071082315.db2.gz NCPJZYBHCSEGCW-XMMPIXPASA-N 1 0 457.578 3.810 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC[N@@H+]1CC ZINC001313750559 1071082994 /nfs/dbraw/zinc/08/29/94/1071082994.db2.gz NJJQPZCGXPWGEI-LJQANCHMSA-N 1 0 459.545 3.791 20 0 JHADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)ccc1Cl ZINC001310055496 1071087649 /nfs/dbraw/zinc/08/76/49/1071087649.db2.gz LFYGLXQZVFOOGE-QFBILLFUSA-N 1 0 459.056 3.955 20 0 JHADRO C[NH+](C)CC[C@@H](NC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1cccnc1 ZINC001310063792 1071093340 /nfs/dbraw/zinc/09/33/40/1071093340.db2.gz PIGUYKIQOKOBDA-LJQANCHMSA-N 1 0 450.568 3.904 20 0 JHADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)ccc1C ZINC001310070736 1071096523 /nfs/dbraw/zinc/09/65/23/1071096523.db2.gz BMQMNLPLAQHPPY-UHFFFAOYSA-N 1 0 450.649 3.898 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313755869 1071096896 /nfs/dbraw/zinc/09/68/96/1071096896.db2.gz QOUFPBGNGGZGEA-BGYRXZFFSA-N 1 0 486.064 3.782 20 0 JHADRO CN(C[C@H]1CCN(c2nnc(-c3cccn3C)n2CCC[NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC001314811450 1071105846 /nfs/dbraw/zinc/10/58/46/1071105846.db2.gz NLQWERJVVFWJFY-OAQYLSRUSA-N 1 0 485.677 3.853 20 0 JHADRO CCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001313764094 1071110763 /nfs/dbraw/zinc/11/07/63/1071110763.db2.gz CXBWKMVUTZBTQI-NQIIRXRSSA-N 1 0 459.660 3.546 20 0 JHADRO CCN(CC1CC1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001313764140 1071110790 /nfs/dbraw/zinc/11/07/90/1071110790.db2.gz FICNHPNHSFVVKO-RTWAWAEBSA-N 1 0 460.667 3.969 20 0 JHADRO CCN(CC1CC1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001313764138 1071110815 /nfs/dbraw/zinc/11/08/15/1071110815.db2.gz FICNHPNHSFVVKO-LEWJYISDSA-N 1 0 460.667 3.969 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313771647 1071122646 /nfs/dbraw/zinc/12/26/46/1071122646.db2.gz KPAWLYVAFQHYMH-ZIFCJYIRSA-N 1 0 495.466 3.540 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313772206 1071124270 /nfs/dbraw/zinc/12/42/70/1071124270.db2.gz PKYQGRWAKWFZHC-NHCUHLMSSA-N 1 0 488.652 3.589 20 0 JHADRO CN(CC1CCOCC1)c1nnc(Cc2cccnc2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314817214 1071125287 /nfs/dbraw/zinc/12/52/87/1071125287.db2.gz NBAZXYXHMQJZLS-QHCPKHFHSA-N 1 0 452.578 3.569 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+](CC)C1CC1 ZINC001313773087 1071126320 /nfs/dbraw/zinc/12/63/20/1071126320.db2.gz YDFRDLSOQBKIMR-SFHVURJKSA-N 1 0 465.440 3.536 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001314821895 1071139935 /nfs/dbraw/zinc/13/99/35/1071139935.db2.gz VOTRMTQDINDTSB-UHFFFAOYSA-N 1 0 480.583 3.715 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(Cc2ccccc2OC)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313778385 1071139612 /nfs/dbraw/zinc/13/96/12/1071139612.db2.gz AQBBZWDQSIGAAQ-XPNTWCBSSA-N 1 0 485.673 3.771 20 0 JHADRO COc1cc(NC(=O)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1NC(C)=O ZINC001310137053 1071145575 /nfs/dbraw/zinc/14/55/75/1071145575.db2.gz XITBTQTXJXBTPU-HDICACEKSA-N 1 0 454.571 3.927 20 0 JHADRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC001310129388 1071140889 /nfs/dbraw/zinc/14/08/89/1071140889.db2.gz HYLBYVCYVNVXDX-YADARESESA-N 1 0 451.615 3.785 20 0 JHADRO CCc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)[NH+](CC)CC)cc1 ZINC001310132157 1071143455 /nfs/dbraw/zinc/14/34/55/1071143455.db2.gz HOSCTWAWSKJVFL-DEOSSOPVSA-N 1 0 452.599 3.926 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001313782252 1071147746 /nfs/dbraw/zinc/14/77/46/1071147746.db2.gz HRAFIORWPPSGQL-RTWAWAEBSA-N 1 0 476.666 3.841 20 0 JHADRO CN(CCC(F)F)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CC[C@H](F)C1 ZINC001314824628 1071147789 /nfs/dbraw/zinc/14/77/89/1071147789.db2.gz COIAXAMANLPKEY-PMACEKPBSA-N 1 0 464.580 3.872 20 0 JHADRO CN(CCC(F)F)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCCSC1 ZINC001314825984 1071150018 /nfs/dbraw/zinc/15/00/18/1071150018.db2.gz SWWJAOSSNPDRES-HXUWFJFHSA-N 1 0 478.657 3.877 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001314826462 1071150718 /nfs/dbraw/zinc/15/07/18/1071150718.db2.gz YXAGEYNRZGBAOJ-UHFFFAOYSA-N 1 0 477.535 3.590 20 0 JHADRO CN(CCC(F)F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001314828320 1071156149 /nfs/dbraw/zinc/15/61/49/1071156149.db2.gz SYNPEAXXXDLYDX-WOJBJXKFSA-N 1 0 460.573 3.623 20 0 JHADRO CN(CCc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314830310 1071161607 /nfs/dbraw/zinc/16/16/07/1071161607.db2.gz SHXOEEQPBLCOCP-SFHVURJKSA-N 1 0 461.035 3.581 20 0 JHADRO CN(CCc1ccc(Cl)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314829072 1071158370 /nfs/dbraw/zinc/15/83/70/1071158370.db2.gz OZHROGBNKLOAGQ-GCJKJVERSA-N 1 0 450.052 3.552 20 0 JHADRO COc1ccccc1OCC(=O)Nc1cccc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001310160670 1071166242 /nfs/dbraw/zinc/16/62/42/1071166242.db2.gz IQCHBIQVWPMKEW-QFIPXVFZSA-N 1 0 454.571 3.955 20 0 JHADRO CN(CCc1cnccn1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314833624 1071170653 /nfs/dbraw/zinc/17/06/53/1071170653.db2.gz PCYFDXFIOUCGAE-UHFFFAOYSA-N 1 0 455.010 3.727 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(C3CCCC3)n2CC[N@H+]2CC=CCC2)C1)CC(F)(F)F ZINC001313788026 1071172230 /nfs/dbraw/zinc/17/22/30/1071172230.db2.gz YQTAANRLNBRNNA-IBGZPJMESA-N 1 0 454.585 3.908 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](C)C[NH+]2CCOCC2)C1)CC(F)(F)F ZINC001313788159 1071173045 /nfs/dbraw/zinc/17/30/45/1071173045.db2.gz ZBECGCBNHABUEO-UXHICEINSA-N 1 0 486.627 3.615 20 0 JHADRO CC(=O)Nc1ccc(Cl)c(NC(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC001310173175 1071178538 /nfs/dbraw/zinc/17/85/38/1071178538.db2.gz ADWVFQQHAXYLKT-UHFFFAOYSA-N 1 0 450.027 3.958 20 0 JHADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC001310173009 1071178605 /nfs/dbraw/zinc/17/86/05/1071178605.db2.gz XYDAPKMRXFUOJZ-SANMLTNESA-N 1 0 450.627 3.780 20 0 JHADRO CN(CCC1CCOCC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[NH+]1CCCCC1 ZINC001314837691 1071180532 /nfs/dbraw/zinc/18/05/32/1071180532.db2.gz GSDRNEBCXJJMLE-UHFFFAOYSA-N 1 0 489.064 3.600 20 0 JHADRO CN(CCC1CCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC001314838395 1071182790 /nfs/dbraw/zinc/18/27/90/1071182790.db2.gz WTCRBDPNLJWISN-QFIPXVFZSA-N 1 0 490.693 3.741 20 0 JHADRO CCN(CCc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313790297 1071182876 /nfs/dbraw/zinc/18/28/76/1071182876.db2.gz ATYALXIYQZBBCF-UXHICEINSA-N 1 0 458.676 3.765 20 0 JHADRO CCN(CC1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC001313790769 1071184679 /nfs/dbraw/zinc/18/46/79/1071184679.db2.gz XTNKVGLIXBCQHE-UHFFFAOYSA-N 1 0 485.677 3.853 20 0 JHADRO C[C@H]1CN(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001310180995 1071185669 /nfs/dbraw/zinc/18/56/69/1071185669.db2.gz SEOHDKXBOFBYHQ-JXFKEZNVSA-N 1 0 459.978 3.675 20 0 JHADRO Cc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(OCC(=O)N(C)C)c1 ZINC001310183002 1071189348 /nfs/dbraw/zinc/18/93/48/1071189348.db2.gz YNUWHXOZGUJXGF-SANMLTNESA-N 1 0 450.583 3.592 20 0 JHADRO O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001310188044 1071193804 /nfs/dbraw/zinc/19/38/04/1071193804.db2.gz LVACMHDGFQTZMK-FIXSFTCYSA-N 1 0 453.583 3.639 20 0 JHADRO CCN(CCC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1CC ZINC001313796076 1071195336 /nfs/dbraw/zinc/19/53/36/1071195336.db2.gz KYDJEPZHARKKNN-SFTDATJTSA-N 1 0 476.666 3.697 20 0 JHADRO CCC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)c3nc(C(F)(F)F)n[nH]3)cc2Cl)CC1 ZINC001310191080 1071195934 /nfs/dbraw/zinc/19/59/34/1071195934.db2.gz LICUGDFJNASSBS-LBPRGKRZSA-N 1 0 459.904 3.892 20 0 JHADRO CCC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)c3nc(C(F)(F)F)n[nH]3)cc2Cl)CC1 ZINC001310191079 1071195956 /nfs/dbraw/zinc/19/59/56/1071195956.db2.gz LICUGDFJNASSBS-GFCCVEGCSA-N 1 0 459.904 3.892 20 0 JHADRO CCC[NH+]1CCN(c2ccc(NC(=O)NCc3nnc(-c4ccccc4)[nH]3)cc2Cl)CC1 ZINC001310192740 1071198136 /nfs/dbraw/zinc/19/81/36/1071198136.db2.gz YSQOLLOAWDUMEN-UHFFFAOYSA-N 1 0 453.978 3.979 20 0 JHADRO CN(CCCCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314844672 1071198880 /nfs/dbraw/zinc/19/88/80/1071198880.db2.gz HBVKRXKGEWTKNT-XMMPIXPASA-N 1 0 451.644 3.632 20 0 JHADRO CC[N@H+](CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C ZINC001313802594 1071209016 /nfs/dbraw/zinc/20/90/16/1071209016.db2.gz PLVDFDIIIARWMP-RBBKRZOGSA-N 1 0 470.662 3.822 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(=O)NC)C1)C(C)C ZINC001313803847 1071212838 /nfs/dbraw/zinc/21/28/38/1071212838.db2.gz WPNIOJWXIIAJOX-INIZCTEOSA-N 1 0 495.441 3.539 20 0 JHADRO CC[N@H+](CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C(N)=O)CC1)C(C)C ZINC001313804464 1071215024 /nfs/dbraw/zinc/21/50/24/1071215024.db2.gz AJWMHCFMSSGSKJ-QGZVFWFLSA-N 1 0 458.676 3.563 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)C(C)C ZINC001313804589 1071215820 /nfs/dbraw/zinc/21/58/20/1071215820.db2.gz CCQUBCSICQQRMQ-HNNXBMFYSA-N 1 0 499.479 3.776 20 0 JHADRO C[N@H+](CCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1)C1CCCCC1 ZINC001314850777 1071217808 /nfs/dbraw/zinc/21/78/08/1071217808.db2.gz MEPHQHPDRCKXSZ-JOCHJYFZSA-N 1 0 457.667 3.623 20 0 JHADRO CC[N@H+](CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](C(N)=O)C1)C(C)C ZINC001313805274 1071218959 /nfs/dbraw/zinc/21/89/59/1071218959.db2.gz IXONEIFQKMYWNR-MSOLQXFVSA-N 1 0 458.676 3.563 20 0 JHADRO C[N@H+](CCCn1c([C@H]2CCOC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)C1CCCCC1 ZINC001314851061 1071219969 /nfs/dbraw/zinc/21/99/69/1071219969.db2.gz OYNPCHSFJOTUSV-MBSDFSHPSA-N 1 0 487.611 3.966 20 0 JHADRO CN(c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@H+](C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001314851080 1071220656 /nfs/dbraw/zinc/22/06/56/1071220656.db2.gz SFRROTYSGSVSNH-QFIPXVFZSA-N 1 0 494.105 3.800 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C ZINC001313805921 1071221944 /nfs/dbraw/zinc/22/19/44/1071221944.db2.gz PFVIAQXTUNSPJO-QFIPXVFZSA-N 1 0 467.662 3.529 20 0 JHADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Nc2cccc(OCC(F)(F)F)c2)CC1 ZINC001310228885 1071222147 /nfs/dbraw/zinc/22/21/47/1071222147.db2.gz WUKVTIQDHSLAQK-UHFFFAOYSA-N 1 0 458.525 3.720 20 0 JHADRO CCC[C@H]1CN(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001310230675 1071224199 /nfs/dbraw/zinc/22/41/99/1071224199.db2.gz YBUCCVJBKLJMOJ-QFIPXVFZSA-N 1 0 459.612 3.628 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCOC1)C(C)C ZINC001313806357 1071224345 /nfs/dbraw/zinc/22/43/45/1071224345.db2.gz VAOLHXYECUHSPK-HNNXBMFYSA-N 1 0 456.454 3.972 20 0 JHADRO C[N@H+](CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)C1CCCCC1 ZINC001314852343 1071226113 /nfs/dbraw/zinc/22/61/13/1071226113.db2.gz WYMOSIASBJANDR-AREMUKBSSA-N 1 0 474.694 3.697 20 0 JHADRO CC[N@H+](CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1)C(C)C ZINC001313806968 1071226673 /nfs/dbraw/zinc/22/66/73/1071226673.db2.gz XMLRCGJBRWWBQA-VXKWHMMOSA-N 1 0 489.064 3.740 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)C(C)C ZINC001313807190 1071227241 /nfs/dbraw/zinc/22/72/41/1071227241.db2.gz GKQZCKFZJDUOSG-QFIPXVFZSA-N 1 0 454.663 3.972 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2Br)nnc1N(C)CCc1cnccn1)C1CC1 ZINC001313807562 1071228904 /nfs/dbraw/zinc/22/89/04/1071228904.db2.gz RRDPQEXYFZPPFQ-UHFFFAOYSA-N 1 0 470.419 3.661 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2)nnc1N1CC[C@](C)(N2CCOCC2)C1)CCC(F)(F)F ZINC001313807737 1071229422 /nfs/dbraw/zinc/22/94/22/1071229422.db2.gz XDLFXPZGKADLSX-QHCPKHFHSA-N 1 0 480.579 3.520 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1)C(C)C ZINC001313808385 1071232740 /nfs/dbraw/zinc/23/27/40/1071232740.db2.gz GUKBTFQWHMZJEK-UHFFFAOYSA-N 1 0 473.000 3.585 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)C(C)C ZINC001313808430 1071233587 /nfs/dbraw/zinc/23/35/87/1071233587.db2.gz OBBPIQDAWDZTII-UHFFFAOYSA-N 1 0 470.662 3.767 20 0 JHADRO CN(CCCNC(=O)C1CCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[NH+]1CCCCCC1 ZINC001314856133 1071237813 /nfs/dbraw/zinc/23/78/13/1071237813.db2.gz NRBIXCZIIYPDDL-DHIUTWEWSA-N 1 0 488.721 3.815 20 0 JHADRO CC[N@H+](CCn1c(-c2cccnc2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1)CCC(F)(F)F ZINC001313809667 1071237892 /nfs/dbraw/zinc/23/78/92/1071237892.db2.gz JNDMZXWYVUFGQP-QHCPKHFHSA-N 1 0 492.521 3.851 20 0 JHADRO CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314856196 1071238346 /nfs/dbraw/zinc/23/83/46/1071238346.db2.gz YHFIARACSRVRRH-IBGZPJMESA-N 1 0 468.067 3.590 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)c2ccsc2)CC1)C(C)C ZINC001313809818 1071238293 /nfs/dbraw/zinc/23/82/93/1071238293.db2.gz XWBORVDGXRVMBT-UHFFFAOYSA-N 1 0 482.654 3.708 20 0 JHADRO 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CC[N@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC(Cl)=C(Cl)C1)CCC(F)(F)F ZINC001313810938 1071243830 /nfs/dbraw/zinc/24/38/30/1071243830.db2.gz OVDKPLBWUNEZTH-UHFFFAOYSA-N 1 0 466.339 3.852 20 0 JHADRO CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CCC(c2nc(C)no2)CC1)CCC(F)(F)F ZINC001313811335 1071245380 /nfs/dbraw/zinc/24/53/80/1071245380.db2.gz ULOONUUBKXEIQE-UHFFFAOYSA-N 1 0 480.539 3.633 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2oncc2C1)CCC(F)(F)F ZINC001313811516 1071245912 /nfs/dbraw/zinc/24/59/12/1071245912.db2.gz CKNFFEKYZSETIG-UHFFFAOYSA-N 1 0 494.518 3.787 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1)C(C)C ZINC001313811930 1071247839 /nfs/dbraw/zinc/24/78/39/1071247839.db2.gz MIRMDRDDKOHLRL-HXUWFJFHSA-N 1 0 467.618 3.835 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001314859920 1071249034 /nfs/dbraw/zinc/24/90/34/1071249034.db2.gz CSFUKALYCDTBSJ-NRFANRHFSA-N 1 0 498.676 3.835 20 0 JHADRO CCS(=O)(=O)Nc1ccc(NC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cc1C ZINC001310272750 1071255918 /nfs/dbraw/zinc/25/59/18/1071255918.db2.gz LCUXBVXMLOPFSJ-HXUWFJFHSA-N 1 0 450.630 3.903 20 0 JHADRO CN(C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001310273775 1071256775 /nfs/dbraw/zinc/25/67/75/1071256775.db2.gz HVRCBVLKZUDXTQ-HXUWFJFHSA-N 1 0 458.628 3.892 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCCOC1)C(C)C ZINC001313814680 1071258376 /nfs/dbraw/zinc/25/83/76/1071258376.db2.gz PIDARTMPBRNUOX-FCHUYYIVSA-N 1 0 492.709 3.986 20 0 JHADRO CC[N@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1)C(C)C ZINC001313814897 1071259159 /nfs/dbraw/zinc/25/91/59/1071259159.db2.gz QOQKJOHJNAEBDX-QHCPKHFHSA-N 1 0 457.667 3.632 20 0 JHADRO CC[N@H+](CCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccsc2)CC1)C(C)C ZINC001313814988 1071259686 /nfs/dbraw/zinc/25/96/86/1071259686.db2.gz RZILNPSJYZEBRY-OAQYLSRUSA-N 1 0 474.675 3.710 20 0 JHADRO C[N@H+](CCn1c(CCc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1)C1CCCC1 ZINC001314864448 1071263054 /nfs/dbraw/zinc/26/30/54/1071263054.db2.gz DELFINPCPVPKFC-UHFFFAOYSA-N 1 0 465.564 3.831 20 0 JHADRO Cc1ccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1NS(C)(=O)=O ZINC001310277077 1071260818 /nfs/dbraw/zinc/26/08/18/1071260818.db2.gz BEXZGYGGYWSDPF-SFHVURJKSA-N 1 0 458.506 3.810 20 0 JHADRO CC[N@H+](CCn1c(CC(C)C)nnc1N1CCN(c2nc(C)cs2)CC1)CCC(F)(F)F ZINC001313817879 1071266409 /nfs/dbraw/zinc/26/64/09/1071266409.db2.gz BRTRBSDVOJRVDR-UHFFFAOYSA-N 1 0 473.613 3.842 20 0 JHADRO CC[N@H+](CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1)C(C)C ZINC001313817714 1071266754 /nfs/dbraw/zinc/26/67/54/1071266754.db2.gz ZMQKPFSDTOAGDD-DEOSSOPVSA-N 1 0 472.634 3.601 20 0 JHADRO CN(CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314865581 1071267337 /nfs/dbraw/zinc/26/73/37/1071267337.db2.gz SHUKLNWWWNCPRB-HXUWFJFHSA-N 1 0 474.675 3.862 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001313818146 1071267630 /nfs/dbraw/zinc/26/76/30/1071267630.db2.gz RJMDXYDAAXAGMM-ZJOUEHCJSA-N 1 0 476.666 3.696 20 0 JHADRO CC[N@H+](CCn1c(CCc2ccc(OC)cc2)nnc1N1CCSC2(CCOCC2)C1)C(C)C ZINC001313818769 1071269552 /nfs/dbraw/zinc/26/95/52/1071269552.db2.gz ADDXATBNMLEEAU-UHFFFAOYSA-N 1 0 487.714 3.905 20 0 JHADRO CN(CCn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)CC(F)(F)F ZINC001314866301 1071270393 /nfs/dbraw/zinc/27/03/93/1071270393.db2.gz FWWAZBZEJQVJEP-UHFFFAOYSA-N 1 0 494.606 3.848 20 0 JHADRO C[N@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC001314867114 1071272576 /nfs/dbraw/zinc/27/25/76/1071272576.db2.gz YXGOJHJAAPJDAP-LJQANCHMSA-N 1 0 476.666 3.540 20 0 JHADRO C[N@H+](CCn1c(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001314867046 1071272605 /nfs/dbraw/zinc/27/26/05/1071272605.db2.gz GRJYALJVGOJACI-FNZWTVRRSA-N 1 0 468.646 3.811 20 0 JHADRO C[N@H+](CCn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314867508 1071274553 /nfs/dbraw/zinc/27/45/53/1071274553.db2.gz NLZWWIPPRGVCMI-QFIPXVFZSA-N 1 0 494.750 3.671 20 0 JHADRO CC[N@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](Oc2ccccn2)C1)C(C)C ZINC001313818579 1071269009 /nfs/dbraw/zinc/26/90/09/1071269009.db2.gz LVQUULFRRRMIGP-LJQANCHMSA-N 1 0 470.568 3.930 20 0 JHADRO CN(CCn1cccn1)c1nnc(-c2cccn2C)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001314869088 1071278143 /nfs/dbraw/zinc/27/81/43/1071278143.db2.gz YFUZQTIRATXBII-NRFANRHFSA-N 1 0 452.994 3.573 20 0 JHADRO CC[N@H+](CCn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C(C)C ZINC001313820564 1071278908 /nfs/dbraw/zinc/27/89/08/1071278908.db2.gz QXHQDHUTKXFPOP-SFHVURJKSA-N 1 0 486.558 3.799 20 0 JHADRO O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001310296530 1071280203 /nfs/dbraw/zinc/28/02/03/1071280203.db2.gz XARNFKOIOWPWRN-RTWAWAEBSA-N 1 0 451.658 3.635 20 0 JHADRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)C(C)(C)C1)CCC(F)(F)F ZINC001313821312 1071281494 /nfs/dbraw/zinc/28/14/94/1071281494.db2.gz AVZQKWGNLPRPBF-KRWDZBQOSA-N 1 0 458.573 3.547 20 0 JHADRO CC(=O)NCc1ccc(NC(=O)NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)cc1 ZINC001310300106 1071282850 /nfs/dbraw/zinc/28/28/50/1071282850.db2.gz NFWYGEAKSGRLLN-WOJBJXKFSA-N 1 0 452.599 3.654 20 0 JHADRO CC[N@H+](CCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@]2(CCOC2)C1)C(C)C ZINC001313821773 1071284054 /nfs/dbraw/zinc/28/40/54/1071284054.db2.gz GLHBLVGKTHTRMQ-XMMPIXPASA-N 1 0 459.660 3.605 20 0 JHADRO CC[N@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[C@@H]21)CCC(F)(F)F ZINC001313822257 1071285169 /nfs/dbraw/zinc/28/51/69/1071285169.db2.gz NIXUYMJJCLRVDI-CVEARBPZSA-N 1 0 470.565 3.533 20 0 JHADRO CC[N@H+](CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)C(C)C ZINC001313822993 1071287623 /nfs/dbraw/zinc/28/76/23/1071287623.db2.gz VPANRUXQFRMLEW-QFIPXVFZSA-N 1 0 479.673 3.705 20 0 JHADRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001313823418 1071288837 /nfs/dbraw/zinc/28/88/37/1071288837.db2.gz KJJRBGZNCKYJSP-GOSISDBHSA-N 1 0 468.067 3.590 20 0 JHADRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc3cccnc32)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001313825741 1071294379 /nfs/dbraw/zinc/29/43/79/1071294379.db2.gz WZSZMJZBGWKDFX-OAQYLSRUSA-N 1 0 498.697 3.732 20 0 JHADRO CC[N@H+](CCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001313825651 1071294415 /nfs/dbraw/zinc/29/44/15/1071294415.db2.gz GGQKSJUMSFKFDC-MRXNPFEDSA-N 1 0 476.588 3.953 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(Cc2cccnc2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001314878188 1071297710 /nfs/dbraw/zinc/29/77/10/1071297710.db2.gz HJLXEIHBFCPPDG-RUZDIDTESA-N 1 0 492.668 3.806 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1)C(C)C ZINC001313827446 1071299379 /nfs/dbraw/zinc/29/93/79/1071299379.db2.gz WSMPKMZCZUSSNG-DHIUTWEWSA-N 1 0 488.721 3.766 20 0 JHADRO CN(CCOc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314879894 1071302069 /nfs/dbraw/zinc/30/20/69/1071302069.db2.gz NOLNYYOLEJGKNU-HSZRJFAPSA-N 1 0 486.636 3.679 20 0 JHADRO CCn1cc(C2CCN(c3nnc(C(=O)NC(C)C)n3CCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cn1 ZINC001313831527 1071304846 /nfs/dbraw/zinc/30/48/46/1071304846.db2.gz YTYVJDGYXOALAW-FGZHOGPDSA-N 1 0 498.720 3.775 20 0 JHADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)NC)cc1 ZINC001310326829 1071309269 /nfs/dbraw/zinc/30/92/69/1071309269.db2.gz DBMQOQMBNKHCDS-UHFFFAOYSA-N 1 0 453.008 3.624 20 0 JHADRO CC1CCC([NH+]2CCN(C(=O)Nc3ccc(F)c(S(=O)(=O)NC(C)(C)C)c3)CC2)CC1 ZINC001310332494 1071314359 /nfs/dbraw/zinc/31/43/59/1071314359.db2.gz WZNIFVLTCCZNGU-UHFFFAOYSA-N 1 0 454.612 3.631 20 0 JHADRO CN(CCOCC1CC1)c1nnc(-c2cccc(Br)c2)n1CC[NH+]1CCSCC1 ZINC001314885729 1071314351 /nfs/dbraw/zinc/31/43/51/1071314351.db2.gz QJVFLTXXJJGBGD-UHFFFAOYSA-N 1 0 480.476 3.619 20 0 JHADRO 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CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)C[C@H]1C ZINC001310337813 1071320027 /nfs/dbraw/zinc/32/00/27/1071320027.db2.gz XYWLWBOFUBDROK-WIYYLYMNSA-N 1 0 450.649 3.976 20 0 JHADRO CC[C@H](CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC001310341583 1071324585 /nfs/dbraw/zinc/32/45/85/1071324585.db2.gz ALWYOWRPOJKVOT-GOSISDBHSA-N 1 0 450.992 3.670 20 0 JHADRO Cc1ccc(NC(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c(OCC[NH+](C)C)c1 ZINC001310353157 1071332126 /nfs/dbraw/zinc/33/21/26/1071332126.db2.gz WWADIARYDXZOJF-SFHVURJKSA-N 1 0 451.976 3.581 20 0 JHADRO Cc1ccc(NC(=O)NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c(OCC[NH+](C)C)c1 ZINC001310353178 1071332355 /nfs/dbraw/zinc/33/23/55/1071332355.db2.gz XLLNPGWXFFEXAU-GOSISDBHSA-N 1 0 453.505 3.927 20 0 JHADRO CCn1cc(Cn2c(-c3ccccc3Br)nnc2N2CCC([NH2+]C(C)C)CC2)cn1 ZINC001313844401 1071333184 /nfs/dbraw/zinc/33/31/84/1071333184.db2.gz WOMNVKUABUYPQK-UHFFFAOYSA-N 1 0 472.435 3.939 20 0 JHADRO 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CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001313876374 1071437537 /nfs/dbraw/zinc/43/75/37/1071437537.db2.gz OJKJBTIJARQBLE-DLBZAZTESA-N 1 0 497.471 3.998 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC001313875423 1071434693 /nfs/dbraw/zinc/43/46/93/1071434693.db2.gz HMFNOXZWCNPMNH-HSZRJFAPSA-N 1 0 468.646 3.506 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CC(=O)NC2CCCCC2)C[C@H]1C ZINC001313875486 1071434747 /nfs/dbraw/zinc/43/47/47/1071434747.db2.gz LYCVRXGBMFXZBW-RTWAWAEBSA-N 1 0 468.646 3.533 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001313875568 1071435193 /nfs/dbraw/zinc/43/51/93/1071435193.db2.gz AGGHPERNSARMBI-AUSIDOKSSA-N 1 0 486.636 3.784 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2cnccn2)CC1 ZINC001313875590 1071435236 /nfs/dbraw/zinc/43/52/36/1071435236.db2.gz ARIXKLSFGLOHFB-UHFFFAOYSA-N 1 0 455.010 3.584 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001313875576 1071435257 /nfs/dbraw/zinc/43/52/57/1071435257.db2.gz AJOQIELADPPNIN-IBGZPJMESA-N 1 0 486.636 3.784 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCOc2cccc(Cl)c2)C[C@H]1C ZINC001313875549 1071435266 /nfs/dbraw/zinc/43/52/66/1071435266.db2.gz MSDIELQOLCNZLM-UXHICEINSA-N 1 0 472.037 3.791 20 0 JHADRO CC[NH+]1CCC(CCn2c(C)nnc2N(CCO)Cc2cc(Br)ccc2F)CC1 ZINC001313875902 1071436171 /nfs/dbraw/zinc/43/61/71/1071436171.db2.gz GBWCZOCSLVEEKA-UHFFFAOYSA-N 1 0 468.415 3.609 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001314964261 1071442438 /nfs/dbraw/zinc/44/24/38/1071442438.db2.gz OHIPYMATWPZIBF-KRWDZBQOSA-N 1 0 491.105 3.917 20 0 JHADRO CCN1C[C@H](CN(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)C[NH+](C)C)Oc2ccccc21 ZINC001313878289 1071444529 /nfs/dbraw/zinc/44/45/29/1071444529.db2.gz XGKSSHACNFRJSS-REWPJTCUSA-N 1 0 470.662 3.831 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001313877219 1071440840 /nfs/dbraw/zinc/44/08/40/1071440840.db2.gz RLROLIUQAYWBMS-QHCPKHFHSA-N 1 0 489.462 3.531 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001313877209 1071440884 /nfs/dbraw/zinc/44/08/84/1071440884.db2.gz RKBHYXPFFYRCNC-UYAOXDASSA-N 1 0 489.064 3.895 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(OC)c3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314966473 1071449654 /nfs/dbraw/zinc/44/96/54/1071449654.db2.gz QRPIADPOFQXUAF-NOMHHCBYSA-N 1 0 482.673 3.674 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC001313879638 1071450684 /nfs/dbraw/zinc/45/06/84/1071450684.db2.gz ILMXVYDSTGSMPL-WMZHIEFXSA-N 1 0 468.646 3.514 20 0 JHADRO CC[NH+]1CCC(CCn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CC(F)(F)F)CC1 ZINC001313880247 1071451841 /nfs/dbraw/zinc/45/18/41/1071451841.db2.gz RPLPVNYIAIZEOQ-UHFFFAOYSA-N 1 0 480.583 3.573 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3cc(C)ccc3C)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001313880836 1071453164 /nfs/dbraw/zinc/45/31/64/1071453164.db2.gz AGEQTTSEEWLFCM-UHFFFAOYSA-N 1 0 483.657 3.985 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001313881051 1071454041 /nfs/dbraw/zinc/45/40/41/1071454041.db2.gz OFVJELALAOISRJ-HXUWFJFHSA-N 1 0 483.661 3.908 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2ccccc2F)C[C@H]1C ZINC001313881258 1071454579 /nfs/dbraw/zinc/45/45/79/1071454579.db2.gz BMCVFIOCDZWUFY-SQVLJLFZSA-N 1 0 459.610 3.693 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3Cl)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001313882289 1071457683 /nfs/dbraw/zinc/45/76/83/1071457683.db2.gz ZGVAOPRQPVSNKT-QUCCMNQESA-N 1 0 462.038 3.961 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccc(Cl)cc3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001313881999 1071456570 /nfs/dbraw/zinc/45/65/70/1071456570.db2.gz RNDSSWKTYFCYLY-UHFFFAOYSA-N 1 0 491.080 3.983 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccc(OC)cc3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001313881980 1071456735 /nfs/dbraw/zinc/45/67/35/1071456735.db2.gz RBNIDWXLVCPWJN-FQEVSTJZSA-N 1 0 457.619 3.603 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccccc3C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314970472 1071456730 /nfs/dbraw/zinc/45/67/30/1071456730.db2.gz OBEOBZYVRHSMQQ-NOMHHCBYSA-N 1 0 466.674 3.508 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001313882532 1071459019 /nfs/dbraw/zinc/45/90/19/1071459019.db2.gz YITJJXVBOPABEU-CZAYHTPWSA-N 1 0 490.693 3.784 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001313882883 1071459722 /nfs/dbraw/zinc/45/97/22/1071459722.db2.gz OCXNWCGFDVTKEM-UHFFFAOYSA-N 1 0 473.065 3.703 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314972545 1071460100 /nfs/dbraw/zinc/46/01/00/1071460100.db2.gz YWYYUFPHCVKVFG-DFBJGRDBSA-N 1 0 486.636 3.784 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](c3ccc(Cl)s3)C2)C1 ZINC001313883524 1071462099 /nfs/dbraw/zinc/46/20/99/1071462099.db2.gz IOQRUZYOCMBIRI-FGTMMUONSA-N 1 0 484.066 3.637 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001313883836 1071462667 /nfs/dbraw/zinc/46/26/67/1071462667.db2.gz KIBAZIGOANJZPS-VQTJNVASSA-N 1 0 486.636 3.640 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccccc3F)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001313883959 1071462882 /nfs/dbraw/zinc/46/28/82/1071462882.db2.gz XFYLZPJODQZGMV-OAQYLSRUSA-N 1 0 484.664 3.823 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(O)(C(F)(F)F)CC2)C1 ZINC001313884627 1071464113 /nfs/dbraw/zinc/46/41/13/1071464113.db2.gz QQDOGKNQJFOEID-DLBZAZTESA-N 1 0 485.526 3.793 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)OC2CCCC2)C1 ZINC001313884538 1071464362 /nfs/dbraw/zinc/46/43/62/1071464362.db2.gz QFIXGMKYRPQAMO-OAHLLOKOSA-N 1 0 451.413 3.698 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)C1 ZINC001313885043 1071465802 /nfs/dbraw/zinc/46/58/02/1071465802.db2.gz WHNSLHXKUXONHK-HKBOAZHASA-N 1 0 486.636 3.592 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(-c3cccnc3)n2CCCC[NH+]2CCC(C)CC2)cc1 ZINC001314975812 1071466207 /nfs/dbraw/zinc/46/62/07/1071466207.db2.gz AFSKUSYIAZIGSO-UHFFFAOYSA-N 1 0 475.641 3.848 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001313885176 1071466607 /nfs/dbraw/zinc/46/66/07/1071466607.db2.gz XXHNHGABMSMPSO-DLBZAZTESA-N 1 0 476.000 3.922 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001313885494 1071467076 /nfs/dbraw/zinc/46/70/76/1071467076.db2.gz CPVVPCCYNLJRQP-FQEVSTJZSA-N 1 0 475.081 3.735 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@@H]1C ZINC001313885866 1071468267 /nfs/dbraw/zinc/46/82/67/1071468267.db2.gz QRPAJWKOPLFQDT-LEWJYISDSA-N 1 0 495.672 3.994 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001313886139 1071469044 /nfs/dbraw/zinc/46/90/44/1071469044.db2.gz MLDNQVAISSACJB-QGZVFWFLSA-N 1 0 490.052 3.829 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314978149 1071474831 /nfs/dbraw/zinc/47/48/31/1071474831.db2.gz QCBMHVMQSDWTGO-CUNXSJBXSA-N 1 0 482.673 3.783 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N(C)Cc2c(C)noc2C)C1 ZINC001313886800 1071471446 /nfs/dbraw/zinc/47/14/46/1071471446.db2.gz ANMOVWICBAANHO-SFHVURJKSA-N 1 0 484.601 3.554 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314978003 1071474104 /nfs/dbraw/zinc/47/41/04/1071474104.db2.gz OZFMCTDOCDLVRV-NBGIEHNGSA-N 1 0 470.687 3.573 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2c(C)noc2C)C[C@@H]1C ZINC001313887787 1071474189 /nfs/dbraw/zinc/47/41/89/1071474189.db2.gz VZOUUZWVTHVWJS-LFWOZUSOSA-N 1 0 458.651 3.963 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001314979878 1071480590 /nfs/dbraw/zinc/48/05/90/1071480590.db2.gz XLWFJBGUXXXUAO-VWLOTQADSA-N 1 0 472.703 3.960 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314980169 1071481312 /nfs/dbraw/zinc/48/13/12/1071481312.db2.gz ZHMSKZFQRBJALQ-FBIATWESSA-N 1 0 482.673 3.557 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H]2CCOC2)C1 ZINC001313890564 1071483138 /nfs/dbraw/zinc/48/31/38/1071483138.db2.gz NPSARRDLJBRVLM-IRXDYDNUSA-N 1 0 468.429 3.978 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C1 ZINC001313891192 1071484549 /nfs/dbraw/zinc/48/45/49/1071484549.db2.gz UJAUGJDXDNEPPW-XZOQPEGZSA-N 1 0 496.700 3.947 20 0 JHADRO CNC(=O)c1cccc(Cn2c(CC3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001314982786 1071486836 /nfs/dbraw/zinc/48/68/36/1071486836.db2.gz WMHIVZVOMYXUQY-UHFFFAOYSA-N 1 0 452.647 3.729 20 0 JHADRO 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CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001314984880 1071491181 /nfs/dbraw/zinc/49/11/81/1071491181.db2.gz INQGJLIAPUQQCQ-WOJBJXKFSA-N 1 0 486.636 3.784 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313894090 1071492663 /nfs/dbraw/zinc/49/26/63/1071492663.db2.gz GTUFLCLXKJNNPS-NHCUHLMSSA-N 1 0 488.702 3.965 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313894762 1071494126 /nfs/dbraw/zinc/49/41/26/1071494126.db2.gz CEPJVQBWYIILGG-PKOBYXMFSA-N 1 0 458.607 3.776 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C(=O)NC ZINC001313894846 1071494959 /nfs/dbraw/zinc/49/49/59/1071494959.db2.gz DQUDTUJIRNWQGL-PKOBYXMFSA-N 1 0 458.676 3.578 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)C1 ZINC001313895240 1071495612 /nfs/dbraw/zinc/49/56/12/1071495612.db2.gz LOSFOFSLBGVZDM-IFMALSPDSA-N 1 0 497.688 3.735 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001313895283 1071496367 /nfs/dbraw/zinc/49/63/67/1071496367.db2.gz ZMUGBGVCEHTOQS-ILWGZMRPSA-N 1 0 488.702 3.695 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(N3CCN(Cc4cc(C)ccc4OC)CC3)nnc2C(C)(C)C)C1 ZINC001313896043 1071498770 /nfs/dbraw/zinc/49/87/70/1071498770.db2.gz CIFWTOQTPZDRBW-NRFANRHFSA-N 1 0 454.663 3.557 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC001314987306 1071498867 /nfs/dbraw/zinc/49/88/67/1071498867.db2.gz XQCPUTGFFVHLRG-GGPKGHCWSA-N 1 0 458.676 3.683 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC001314987311 1071498953 /nfs/dbraw/zinc/49/89/53/1071498953.db2.gz XQCPUTGFFVHLRG-NSHGMRRFSA-N 1 0 458.676 3.683 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCCC(=O)NC ZINC001313896862 1071500462 /nfs/dbraw/zinc/50/04/62/1071500462.db2.gz RXDBOZJXJZXLFG-HKUYNNGSSA-N 1 0 458.676 3.578 20 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471.646 3.588 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313906846 1071525749 /nfs/dbraw/zinc/52/57/49/1071525749.db2.gz SAJHYRPMPFYSGY-LJQANCHMSA-N 1 0 469.634 3.584 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313905938 1071522870 /nfs/dbraw/zinc/52/28/70/1071522870.db2.gz WETKABXWTAVOQB-CTNGQTDRSA-N 1 0 469.630 3.638 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001315000946 1071523297 /nfs/dbraw/zinc/52/32/97/1071523297.db2.gz VORJUKQVYAWWAX-HXUWFJFHSA-N 1 0 473.046 3.925 20 0 JHADRO CNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC[NH+]2CCCC2)CC1 ZINC001315000904 1071523398 /nfs/dbraw/zinc/52/33/98/1071523398.db2.gz UIJGLUHZJLCIEI-GOSISDBHSA-N 1 0 475.037 3.520 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001313907121 1071526491 /nfs/dbraw/zinc/52/64/91/1071526491.db2.gz YCXCUILXKFIPHR-HAGHYFMRSA-N 1 0 476.666 3.537 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001313907207 1071526843 /nfs/dbraw/zinc/52/68/43/1071526843.db2.gz ACGWHTXNLDYHGH-HXUWFJFHSA-N 1 0 489.064 3.786 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313908654 1071530957 /nfs/dbraw/zinc/53/09/57/1071530957.db2.gz ALBMTPWRXUEOOQ-LJQANCHMSA-N 1 0 488.627 3.716 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001313907313 1071527267 /nfs/dbraw/zinc/52/72/67/1071527267.db2.gz BRRLYADSDLVUGV-DLBZAZTESA-N 1 0 498.981 3.978 20 0 JHADRO CCn1cc(CN(C)c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCC[N@@H+]2CC)cn1 ZINC001313908082 1071528711 /nfs/dbraw/zinc/52/87/11/1071528711.db2.gz LUDPHXHLGFLDIN-NRFANRHFSA-N 1 0 467.618 3.690 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001313908007 1071528956 /nfs/dbraw/zinc/52/89/56/1071528956.db2.gz GAANQYNASLLQDQ-FQEVSTJZSA-N 1 0 456.038 3.961 20 0 JHADRO 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CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1nc(CCOC)no1 ZINC001313910525 1071534597 /nfs/dbraw/zinc/53/45/97/1071534597.db2.gz VXBZONAGTAWFJH-KRWDZBQOSA-N 1 0 491.999 3.820 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCC(C)CC2)CC1=O ZINC001313913040 1071541747 /nfs/dbraw/zinc/54/17/47/1071541747.db2.gz IGLUXMMXVGLSOX-UHFFFAOYSA-N 1 0 477.028 3.918 20 0 JHADRO CNC(=O)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001315023869 1071545929 /nfs/dbraw/zinc/54/59/29/1071545929.db2.gz YLCGFVXEZIQYJT-FYYLOGMGSA-N 1 0 488.721 3.814 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001315024242 1071546886 /nfs/dbraw/zinc/54/68/86/1071546886.db2.gz OJPLTTWUNURRDW-UHFFFAOYSA-N 1 0 489.668 3.505 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](OC)C1 ZINC001313914831 1071548729 /nfs/dbraw/zinc/54/87/29/1071548729.db2.gz OEVUKDKKYOFYGI-ICSRJNTNSA-N 1 0 478.435 3.719 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cnccn1 ZINC001313914863 1071548758 /nfs/dbraw/zinc/54/87/58/1071548758.db2.gz OMCOOXXBWUSYQF-YADHBBJMSA-N 1 0 498.676 3.693 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313915576 1071550910 /nfs/dbraw/zinc/55/09/10/1071550910.db2.gz YIXWMINEGRHLEN-BHDDXSALSA-N 1 0 490.693 3.740 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(C(C)(C)C)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001315026283 1071551375 /nfs/dbraw/zinc/55/13/75/1071551375.db2.gz XCFDDTWOAULYKY-UNMCSNQZSA-N 1 0 454.663 3.839 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@H](C(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313915812 1071551408 /nfs/dbraw/zinc/55/14/08/1071551408.db2.gz SWSSBFDKWODIFJ-YYDVJCTNSA-N 1 0 455.594 3.675 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313915795 1071551556 /nfs/dbraw/zinc/55/15/56/1071551556.db2.gz SRWFVWIYFOOQGU-VQTJNVASSA-N 1 0 487.670 3.843 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cccc3cccnc32)n1CCC[NH+]1CCC(C)CC1 ZINC001315027422 1071553882 /nfs/dbraw/zinc/55/38/82/1071553882.db2.gz RMMPGZOWXMNMLI-UHFFFAOYSA-N 1 0 463.630 3.578 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315027390 1071553909 /nfs/dbraw/zinc/55/39/09/1071553909.db2.gz QMDCRFCIDQWGAB-ZWKOTPCHSA-N 1 0 477.053 3.690 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313919379 1071557071 /nfs/dbraw/zinc/55/70/71/1071557071.db2.gz AKFCNJMGTPOGQG-MOPGFXCFSA-N 1 0 492.510 3.699 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N(C)Cc2cc(Br)cs2)CC1 ZINC001313919830 1071558181 /nfs/dbraw/zinc/55/81/81/1071558181.db2.gz GONNRWHCWNAIFS-INIZCTEOSA-N 1 0 469.497 3.888 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccco2)CC1 ZINC001313920551 1071559586 /nfs/dbraw/zinc/55/95/86/1071559586.db2.gz KSEASMYSMDKVMH-GOSISDBHSA-N 1 0 487.446 3.963 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](c1cccs1)[NH+](C)C ZINC001315031094 1071559932 /nfs/dbraw/zinc/55/99/32/1071559932.db2.gz BBIUGYYPDOPHOP-OAQYLSRUSA-N 1 0 477.638 3.738 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CC2CCOCC2)CC1 ZINC001313921193 1071561245 /nfs/dbraw/zinc/56/12/45/1071561245.db2.gz OYLANOGBFRCLLR-LADGPHEKSA-N 1 0 498.716 3.924 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2ccon2)CC1 ZINC001313921577 1071561948 /nfs/dbraw/zinc/56/19/48/1071561948.db2.gz QLFSMQKYNHYGLZ-RBUKOAKNSA-N 1 0 488.036 3.722 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCSCC2)CC1 ZINC001313922455 1071564437 /nfs/dbraw/zinc/56/44/37/1071564437.db2.gz WPSNGPYZHGRCMY-HXUWFJFHSA-N 1 0 456.704 3.822 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)CCc2ccccc2F)CC1 ZINC001313922512 1071564544 /nfs/dbraw/zinc/56/45/44/1071564544.db2.gz WWEINVAHTKVGRZ-IBGZPJMESA-N 1 0 454.594 3.691 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001315034704 1071566905 /nfs/dbraw/zinc/56/69/05/1071566905.db2.gz KAHSFSRTRMBAIM-JPYJTQIMSA-N 1 0 482.654 3.671 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001313924074 1071568857 /nfs/dbraw/zinc/56/88/57/1071568857.db2.gz YDTLWZSSYHHSLQ-SFTDATJTSA-N 1 0 483.661 3.582 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)C2CCC2)CC1 ZINC001313924273 1071569459 /nfs/dbraw/zinc/56/94/59/1071569459.db2.gz DBMWOXIZDQZVAT-HXUWFJFHSA-N 1 0 470.662 3.756 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001315036920 1071569773 /nfs/dbraw/zinc/56/97/73/1071569773.db2.gz VBJAFXDWQBLNLX-WOJBJXKFSA-N 1 0 479.673 3.766 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N(C)C2CCCCC2)CC1 ZINC001313926872 1071578026 /nfs/dbraw/zinc/57/80/26/1071578026.db2.gz HGAPLXIRWKVUKU-QFIPXVFZSA-N 1 0 454.663 3.695 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313926984 1071578062 /nfs/dbraw/zinc/57/80/62/1071578062.db2.gz GTEVZOBKITXMSR-DNVJHFABSA-N 1 0 454.663 3.592 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313927622 1071580561 /nfs/dbraw/zinc/58/05/61/1071580561.db2.gz KSHJRSMNZIVUJK-OFNKIYASSA-N 1 0 475.081 3.734 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313927802 1071582112 /nfs/dbraw/zinc/58/21/12/1071582112.db2.gz NKQPVTNGAYJNGG-PKTZIBPZSA-N 1 0 484.689 3.540 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001315057021 1071582474 /nfs/dbraw/zinc/58/24/74/1071582474.db2.gz MKWMGFCBETYGAT-KRWDZBQOSA-N 1 0 494.471 3.835 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001313929580 1071586632 /nfs/dbraw/zinc/58/66/32/1071586632.db2.gz SMZRASHLULJLRJ-OAQYLSRUSA-N 1 0 481.689 3.628 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCOC2CCOCC2)C[C@@H]1C ZINC001313928632 1071584564 /nfs/dbraw/zinc/58/45/64/1071584564.db2.gz CBXBKGTTZOSEIY-PMACEKPBSA-N 1 0 475.609 3.673 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@H+](C)C(C)C)C1 ZINC001315077429 1071588349 /nfs/dbraw/zinc/58/83/49/1071588349.db2.gz IUOWNQGCXLLRCX-QZTJIDSGSA-N 1 0 459.660 3.861 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001313931531 1071592536 /nfs/dbraw/zinc/59/25/36/1071592536.db2.gz USXRZRKSGSCHOY-GCJKJVERSA-N 1 0 479.044 3.975 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001315082295 1071591817 /nfs/dbraw/zinc/59/18/17/1071591817.db2.gz AWKIESNUFIOVMM-KNQAVFIVSA-N 1 0 473.593 3.506 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(N4CCC[C@H](OC(C)(C)C)C4)nnc3C(C)(C)C)cn2)CC1 ZINC001313932466 1071594778 /nfs/dbraw/zinc/59/47/78/1071594778.db2.gz GPHPHWPZRZJVNC-QFIPXVFZSA-N 1 0 483.705 3.945 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001313933829 1071599669 /nfs/dbraw/zinc/59/96/69/1071599669.db2.gz MAPPXUXFHGFFNN-IBGZPJMESA-N 1 0 498.031 3.805 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2CCC(OC)CC2)C[C@@H]1C ZINC001313934866 1071603600 /nfs/dbraw/zinc/60/36/00/1071603600.db2.gz UUDJGJRHDDVFPO-ZJOBEGKPSA-N 1 0 468.646 3.883 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCCCS(C)(=O)=O)C[C@H]1C ZINC001313934754 1071603624 /nfs/dbraw/zinc/60/36/24/1071603624.db2.gz VMFDRMMZMTXCTG-HXUWFJFHSA-N 1 0 475.703 3.988 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)c2ccsc2)C[C@H]1C ZINC001313934113 1071600966 /nfs/dbraw/zinc/60/09/66/1071600966.db2.gz OLYDBCFDQLBRBJ-KBMIEXCESA-N 1 0 482.654 3.647 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCOC2)C[C@@H]1C ZINC001313934239 1071601691 /nfs/dbraw/zinc/60/16/91/1071601691.db2.gz QSIBLCJBRCSAHD-HOTGVXAUSA-N 1 0 466.399 3.804 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnc(C)s2)C[C@@H]1C ZINC001313934640 1071602278 /nfs/dbraw/zinc/60/22/78/1071602278.db2.gz UNCJKSFKKGTKGF-NSHDSACASA-N 1 0 468.450 3.508 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(C)nnc3N(C)Cc3ccc(F)c(Cl)c3)cn2)CC1 ZINC001313935321 1071605357 /nfs/dbraw/zinc/60/53/57/1071605357.db2.gz WKCHRZSLIBYPQZ-UHFFFAOYSA-N 1 0 457.985 3.601 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2CCCCO2)C[C@H]1C ZINC001313935223 1071605377 /nfs/dbraw/zinc/60/53/77/1071605377.db2.gz GAXOAZFFIPYWHY-AEFFLSMTSA-N 1 0 478.435 3.816 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001313937227 1071610264 /nfs/dbraw/zinc/61/02/64/1071610264.db2.gz DJNIJQQIQQMFTJ-KRWDZBQOSA-N 1 0 456.566 3.966 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)c2nccs2)C[C@H]1C ZINC001313937094 1071610297 /nfs/dbraw/zinc/61/02/97/1071610297.db2.gz SFVQKULRXLAFOP-DLBZAZTESA-N 1 0 456.616 3.753 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)cc2C)C[C@@H]1C ZINC001313937390 1071610871 /nfs/dbraw/zinc/61/08/71/1071610871.db2.gz MBBWRLTXJKZHRV-GMAHTHKFSA-N 1 0 498.672 3.782 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cnc(C)s2)C[C@H]1C ZINC001313938695 1071612167 /nfs/dbraw/zinc/61/21/67/1071612167.db2.gz WQFOKUZUFSMHFP-QGZVFWFLSA-N 1 0 489.690 3.736 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC001313938987 1071612706 /nfs/dbraw/zinc/61/27/06/1071612706.db2.gz ZFVMEMSKXRUZIS-OXJNMPFZSA-N 1 0 451.974 3.922 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2sccc2Br)C[C@H]1C ZINC001313938716 1071612741 /nfs/dbraw/zinc/61/27/41/1071612741.db2.gz WYLYMDXULZCITE-HUUCEWRRSA-N 1 0 454.438 3.575 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(OC)CCOC2)C[C@@H]1C ZINC001313940013 1071614126 /nfs/dbraw/zinc/61/41/26/1071614126.db2.gz JQAWUGFAJZFDKG-CPJSRVTESA-N 1 0 492.064 3.587 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Oc2cccc(OC)c2)C[C@@H]1C ZINC001313941497 1071617454 /nfs/dbraw/zinc/61/74/54/1071617454.db2.gz VMQMPWOZSIHDTA-ZWKOTPCHSA-N 1 0 470.643 3.640 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC)c(OC(F)F)c2)C[C@@H]1C ZINC001313941505 1071617505 /nfs/dbraw/zinc/61/75/05/1071617505.db2.gz VSNDLSNJAHHAOH-SFHVURJKSA-N 1 0 486.567 3.647 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cscc2C(F)(F)F)C[C@H]1C ZINC001313942011 1071618872 /nfs/dbraw/zinc/61/88/72/1071618872.db2.gz GPEHOJWKSBBWST-CQSZACIVSA-N 1 0 498.600 3.929 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC)c(Cl)c3)C2)CC1 ZINC001313943141 1071621931 /nfs/dbraw/zinc/62/19/31/1071621931.db2.gz OXMSLMFTMWEETF-LJQANCHMSA-N 1 0 461.054 3.502 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Sc2ccccc2)C[C@@H]1C ZINC001313943066 1071621978 /nfs/dbraw/zinc/62/19/78/1071621978.db2.gz PDHIQQCMKYALEP-LEWJYISDSA-N 1 0 453.660 3.851 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccccc4C)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001313945689 1071626695 /nfs/dbraw/zinc/62/66/95/1071626695.db2.gz TWHHXBRJSOMZJR-JTHBVZDNSA-N 1 0 454.663 3.531 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCCOC(F)F)C2)CC1 ZINC001313945636 1071626737 /nfs/dbraw/zinc/62/67/37/1071626737.db2.gz RZFWINMKSMFZNA-QGZVFWFLSA-N 1 0 486.970 3.583 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCCOC(C)C)C[C@H]1C ZINC001313943462 1071623346 /nfs/dbraw/zinc/62/33/46/1071623346.db2.gz SQZYJBAAHJPWKG-OAQYLSRUSA-N 1 0 451.619 3.866 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2sc(C)nc2C)C[C@@H]1C ZINC001313945951 1071627988 /nfs/dbraw/zinc/62/79/88/1071627988.db2.gz MAYZDCGBMCRDBK-HNNXBMFYSA-N 1 0 460.598 3.994 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@H]1C ZINC001313945974 1071628050 /nfs/dbraw/zinc/62/80/50/1071628050.db2.gz MSOOPMGNELCZBL-CQSZACIVSA-N 1 0 499.944 3.992 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(F)cc4Br)n3CC(C)C)C2)CC1 ZINC001313945471 1071626161 /nfs/dbraw/zinc/62/61/61/1071626161.db2.gz POBCCOKCOOENKS-GOSISDBHSA-N 1 0 479.442 3.719 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001313946570 1071629301 /nfs/dbraw/zinc/62/93/01/1071629301.db2.gz BLFUUDQTJPNXOW-UPVQGACJSA-N 1 0 486.730 3.766 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)C[C@H]1C ZINC001313946816 1071629756 /nfs/dbraw/zinc/62/97/56/1071629756.db2.gz CMHCYFURLVQFGJ-NMMYMHLASA-N 1 0 459.610 3.978 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001313946869 1071630572 /nfs/dbraw/zinc/63/05/72/1071630572.db2.gz DLRQTOXTGBHYIP-HXUWFJFHSA-N 1 0 481.645 3.605 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@@H]2OC)C[C@H]1C ZINC001313947500 1071632213 /nfs/dbraw/zinc/63/22/13/1071632213.db2.gz HVMSQDXDZXONNM-AABGKKOBSA-N 1 0 459.660 3.925 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001313950663 1071639414 /nfs/dbraw/zinc/63/94/14/1071639414.db2.gz BUFKIKOQXBYWTB-AUSIDOKSSA-N 1 0 490.643 3.705 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)nc2)C[C@@H]1C ZINC001313949005 1071635267 /nfs/dbraw/zinc/63/52/67/1071635267.db2.gz OAIPAYZPNLXQES-SFHVURJKSA-N 1 0 470.021 3.550 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)OC2CCCC2)CC1 ZINC001313950171 1071637496 /nfs/dbraw/zinc/63/74/96/1071637496.db2.gz NSQRGHDYMZQOAI-GOSISDBHSA-N 1 0 462.042 3.578 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001313951994 1071643664 /nfs/dbraw/zinc/64/36/64/1071643664.db2.gz CKIKDHXPTGAOHA-IBGZPJMESA-N 1 0 479.595 3.783 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313952593 1071646468 /nfs/dbraw/zinc/64/64/68/1071646468.db2.gz RYMQKOYTXYLPEY-SELNLUPBSA-N 1 0 476.616 3.879 20 0 JHADRO CCN1CC[NH+](CCCCn2c(N3CCO[C@H](c4ccccc4C)C3)nnc2C(C)(C)C)CC1 ZINC001313953492 1071648943 /nfs/dbraw/zinc/64/89/43/1071648943.db2.gz GWTBBRCYPIMGBK-DEOSSOPVSA-N 1 0 468.690 3.880 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCCCCC2)CC1 ZINC001313955089 1071654200 /nfs/dbraw/zinc/65/42/00/1071654200.db2.gz FFGXHXSDHRFONG-HSZRJFAPSA-N 1 0 454.663 3.554 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001313955453 1071655395 /nfs/dbraw/zinc/65/53/95/1071655395.db2.gz HQIVOTQIJXFYHF-VWRAKTAISA-N 1 0 477.072 3.980 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313955555 1071656242 /nfs/dbraw/zinc/65/62/42/1071656242.db2.gz SPBNBFRFTDJETG-OAQYLSRUSA-N 1 0 482.652 3.506 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001313956236 1071657369 /nfs/dbraw/zinc/65/73/69/1071657369.db2.gz XXWAMKUNPMBXIL-OFNKIYASSA-N 1 0 475.081 3.733 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccccc3OC)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313956998 1071658864 /nfs/dbraw/zinc/65/88/64/1071658864.db2.gz AQCWXVKUAFLOPD-UHFFFAOYSA-N 1 0 478.563 3.680 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001313957260 1071659519 /nfs/dbraw/zinc/65/95/19/1071659519.db2.gz QCJIZCJSYSMEKL-DENIHFKCSA-N 1 0 484.718 3.672 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313957911 1071661796 /nfs/dbraw/zinc/66/17/96/1071661796.db2.gz SALCCVMVKCKIPA-RPWUZVMVSA-N 1 0 498.716 3.788 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313958924 1071665040 /nfs/dbraw/zinc/66/50/40/1071665040.db2.gz YVKWRMLIGBOFMX-RJGXRXQPSA-N 1 0 486.730 3.769 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313958865 1071665080 /nfs/dbraw/zinc/66/50/80/1071665080.db2.gz XGOYQEGWBXAXOI-JOCHJYFZSA-N 1 0 454.663 3.854 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313958867 1071665153 /nfs/dbraw/zinc/66/51/53/1071665153.db2.gz XGOYQEGWBXAXOI-QFIPXVFZSA-N 1 0 454.663 3.854 20 0 JHADRO CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCC[NH+]1CCN(CC)CC1 ZINC001313959664 1071666777 /nfs/dbraw/zinc/66/67/77/1071666777.db2.gz ALJDXOCKTNXEBQ-UHFFFAOYSA-N 1 0 479.467 3.590 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001313960646 1071670433 /nfs/dbraw/zinc/67/04/33/1071670433.db2.gz MLKGTWYNPYZVGU-IBGZPJMESA-N 1 0 492.510 3.936 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001313960739 1071670507 /nfs/dbraw/zinc/67/05/07/1071670507.db2.gz MCJROZNKYUDGBI-RUZDIDTESA-N 1 0 491.080 3.543 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313960777 1071670990 /nfs/dbraw/zinc/67/09/90/1071670990.db2.gz MNENWRRLOYOLLJ-QHCPKHFHSA-N 1 0 484.689 3.505 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001313961083 1071671580 /nfs/dbraw/zinc/67/15/80/1071671580.db2.gz QBZGGNSBVXGFCI-SFTDATJTSA-N 1 0 458.626 3.506 20 0 JHADRO CCn1nc(-c2nnc(N(C)CCC(F)(F)F)n2CC[N@@H+]2CCC[C@@H]2C)c2ccccc2c1=O ZINC001313961112 1071671804 /nfs/dbraw/zinc/67/18/04/1071671804.db2.gz QGUNXPQZJGPPBM-INIZCTEOSA-N 1 0 477.535 3.548 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC=C(C)C2)CC1 ZINC001313961233 1071672316 /nfs/dbraw/zinc/67/23/16/1071672316.db2.gz RVJSTSLXJGEETJ-OAQYLSRUSA-N 1 0 456.610 3.741 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(OC)c3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313961218 1071672351 /nfs/dbraw/zinc/67/23/51/1071672351.db2.gz RMQGQPDZTWVQQL-QHCPKHFHSA-N 1 0 472.703 3.559 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001313961823 1071673923 /nfs/dbraw/zinc/67/39/23/1071673923.db2.gz BLUANZYPVBMBCL-QZTJIDSGSA-N 1 0 483.686 3.593 20 0 JHADRO CCn1nc(-c2nnc(N3CCCO[C@@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)c2ccccc2c1=O ZINC001313965857 1071685352 /nfs/dbraw/zinc/68/53/52/1071685352.db2.gz GCZLWMLAWOBVKV-NRFANRHFSA-N 1 0 495.672 3.799 20 0 JHADRO CCn1nc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313965752 1071684726 /nfs/dbraw/zinc/68/47/26/1071684726.db2.gz DUCVIBFCWGZKLO-CCLHPLFOSA-N 1 0 495.672 3.657 20 0 JHADRO CCn1nc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313966777 1071687317 /nfs/dbraw/zinc/68/73/17/1071687317.db2.gz MAGFAYRZLOBPAX-GOSISDBHSA-N 1 0 487.599 3.887 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001313967375 1071689374 /nfs/dbraw/zinc/68/93/74/1071689374.db2.gz FTJIWPSJOBHBEB-UHFFFAOYSA-N 1 0 482.673 3.817 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001313967527 1071689397 /nfs/dbraw/zinc/68/93/97/1071689397.db2.gz QCFRAQRWTCQSGX-UHFFFAOYSA-N 1 0 477.657 3.966 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001313974314 1071702873 /nfs/dbraw/zinc/70/28/73/1071702873.db2.gz SOYLQLLOMISNGC-UHFFFAOYSA-N 1 0 458.676 3.547 20 0 JHADRO CCNC(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CCC1 ZINC001313975341 1071705402 /nfs/dbraw/zinc/70/54/02/1071705402.db2.gz PIMVGFXIMPFKGC-ZWKOTPCHSA-N 1 0 459.038 3.824 20 0 JHADRO CCNC(=O)C1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CCC1 ZINC001313975526 1071705874 /nfs/dbraw/zinc/70/58/74/1071705874.db2.gz RQKFBCGNLHIDRT-OALUTQOASA-N 1 0 489.064 3.908 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC001313981649 1071718009 /nfs/dbraw/zinc/71/80/09/1071718009.db2.gz HCICAAOTBYQSAX-RBUKOAKNSA-N 1 0 466.655 3.647 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(CC(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC001313981820 1071718499 /nfs/dbraw/zinc/71/84/99/1071718499.db2.gz IRQDQKGJMIKAJI-UHFFFAOYSA-N 1 0 452.647 3.729 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001313993429 1071727893 /nfs/dbraw/zinc/72/78/93/1071727893.db2.gz KBPBYVWMYKVSKG-UQBPGWFLSA-N 1 0 488.080 3.961 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001313994286 1071729184 /nfs/dbraw/zinc/72/91/84/1071729184.db2.gz HNBORAHOYIPQJJ-NRFANRHFSA-N 1 0 467.662 3.677 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C[NH+](CC)CC)c2)CC1 ZINC001313999455 1071736552 /nfs/dbraw/zinc/73/65/52/1071736552.db2.gz YGVRHDWHHLNSBH-UHFFFAOYSA-N 1 0 469.678 3.608 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001314000195 1071737386 /nfs/dbraw/zinc/73/73/86/1071737386.db2.gz XLGQVQLJFAKTBA-QHCPKHFHSA-N 1 0 495.697 3.669 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001314004837 1071741148 /nfs/dbraw/zinc/74/11/48/1071741148.db2.gz OSDVXWNKHBVFQA-SFHVURJKSA-N 1 0 494.109 3.806 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C)n2CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001314007936 1071744280 /nfs/dbraw/zinc/74/42/80/1071744280.db2.gz JXYMQMNOZFQKCW-REWPJTCUSA-N 1 0 468.646 3.944 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C(C)C)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001314008454 1071744813 /nfs/dbraw/zinc/74/48/13/1071744813.db2.gz MQQZSNKMYLOKTL-HXUWFJFHSA-N 1 0 468.646 3.905 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001314012935 1071749092 /nfs/dbraw/zinc/74/90/92/1071749092.db2.gz BKGVZHKCTVATMU-JOCHJYFZSA-N 1 0 486.661 3.987 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001314014668 1071754566 /nfs/dbraw/zinc/75/45/66/1071754566.db2.gz SHRAKOVYQDETTO-SFTDATJTSA-N 1 0 498.672 3.890 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@H](C)[NH+](C)C)CC1 ZINC001314016051 1071758601 /nfs/dbraw/zinc/75/86/01/1071758601.db2.gz GJWDEMYWMXFGIV-KRWDZBQOSA-N 1 0 483.642 3.606 20 0 JHADRO 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C[NH+]1CCN(c2ccc(CCNC(=O)c3ccccc3CSC3=NCCS3)cc2)CC1 ZINC001305972800 1068308084 /nfs/dbraw/zinc/30/80/84/1068308084.db2.gz LNBNTDAAHSFOTG-UHFFFAOYSA-N 1 0 454.665 3.747 20 0 JHADRO CCc1ccccc1OCc1nnc(N(C)Cc2cscn2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305978966 1068321240 /nfs/dbraw/zinc/32/12/40/1068321240.db2.gz WBDOXWDQYCODRD-HSZRJFAPSA-N 1 0 472.684 3.950 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@H](OC)C(C)(C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305979885 1068322668 /nfs/dbraw/zinc/32/26/68/1068322668.db2.gz RFADQVFORNBROB-IMSXRSKXSA-N 1 0 485.673 3.780 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@@H](CC)O[C@@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305981357 1068325649 /nfs/dbraw/zinc/32/56/49/1068325649.db2.gz GLGSZTOACTWLIO-PIBDYAPNSA-N 1 0 473.687 3.861 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[C@H](C)[C@@H]2C)n1CCCN1CC[NH+](CC)CC1 ZINC001305982734 1068328699 /nfs/dbraw/zinc/32/86/99/1068328699.db2.gz UXXGZQWSSZTPLH-VXKWHMMOSA-N 1 0 454.663 3.682 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001305987286 1068341132 /nfs/dbraw/zinc/34/11/32/1068341132.db2.gz WGTYWAVINCTUMC-JOCHJYFZSA-N 1 0 482.673 3.600 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCNC(=O)C(C)C ZINC001305987985 1068342326 /nfs/dbraw/zinc/34/23/26/1068342326.db2.gz XKIAMECKSCJKPT-OAQYLSRUSA-N 1 0 482.673 3.502 20 0 JHADRO CCc1cnc(CN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC001305994740 1068356686 /nfs/dbraw/zinc/35/66/86/1068356686.db2.gz AHUIMSTYADXCLA-RTBURBONSA-N 1 0 483.686 3.807 20 0 JHADRO CCc1nc(CCn2c(-c3cccc(Cl)c3)nnc2N2CC[C@H](C[NH+](CC)CC)C2)no1 ZINC001306016099 1068400008 /nfs/dbraw/zinc/40/00/08/1068400008.db2.gz FTOHSODDDQMVLS-QGZVFWFLSA-N 1 0 458.010 3.955 20 0 JHADRO CCc1nc(CN(C)c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cs1 ZINC001306022933 1068414822 /nfs/dbraw/zinc/41/48/22/1068414822.db2.gz AGFUQVDZYQUMEK-NRFANRHFSA-N 1 0 468.671 3.846 20 0 JHADRO CCc1nc(CN(C)c2nnc(-c3ccc(C)o3)n2CC2(O)CC[NH+](C(C)C)CC2)cs1 ZINC001306028927 1068426436 /nfs/dbraw/zinc/42/64/36/1068426436.db2.gz HUMOCSQGWYCTCN-UHFFFAOYSA-N 1 0 458.632 3.737 20 0 JHADRO CCc1nc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cs1 ZINC001306034156 1068438344 /nfs/dbraw/zinc/43/83/44/1068438344.db2.gz VEGMWOIPJPXIAM-HOYKHHGWSA-N 1 0 473.691 3.566 20 0 JHADRO CCc1nn(C)c(CC)c1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001306046959 1068469299 /nfs/dbraw/zinc/46/92/99/1068469299.db2.gz UEHDDRNIZHMUIR-UHFFFAOYSA-N 1 0 498.720 3.558 20 0 JHADRO CCc1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001306061963 1068501650 /nfs/dbraw/zinc/50/16/50/1068501650.db2.gz AUHPLNKJCKPIRD-LJQANCHMSA-N 1 0 451.594 3.762 20 0 JHADRO CCc1nnc(N(C)Cc2cccc(OC(F)F)c2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001306079319 1068510306 /nfs/dbraw/zinc/51/03/06/1068510306.db2.gz OUVUFPPEVIMUKQ-IAGOWNOFSA-N 1 0 451.562 3.966 20 0 JHADRO CCc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001306080820 1068511475 /nfs/dbraw/zinc/51/14/75/1068511475.db2.gz BPRPGUALBVLJAS-QHCPKHFHSA-N 1 0 463.630 3.681 20 0 JHADRO CCc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1CC[N@H+](C)CCCOC ZINC001306110898 1068522101 /nfs/dbraw/zinc/52/21/01/1068522101.db2.gz RIOOMDFMNGVPSS-MRXNPFEDSA-N 1 0 450.425 3.695 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001306117030 1068524108 /nfs/dbraw/zinc/52/41/08/1068524108.db2.gz AYYDBEHNNFTDMR-VXKWHMMOSA-N 1 0 458.695 3.828 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1CCC[NH+]1CCCCC1 ZINC001306121317 1068530069 /nfs/dbraw/zinc/53/00/69/1068530069.db2.gz XCKHRDXKWYWPCU-UHFFFAOYSA-N 1 0 470.637 3.697 20 0 JHADRO CCc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306121826 1068530606 /nfs/dbraw/zinc/53/06/06/1068530606.db2.gz RAAQEGHPISDEKL-ZCNNSNEGSA-N 1 0 492.709 3.858 20 0 JHADRO CCc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1CCOc1ncccc1F ZINC001306133091 1068535616 /nfs/dbraw/zinc/53/56/16/1068535616.db2.gz NLBDCNBZRLKEGZ-UHFFFAOYSA-N 1 0 452.578 3.802 20 0 JHADRO CCc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 ZINC001306135852 1068539151 /nfs/dbraw/zinc/53/91/51/1068539151.db2.gz FGHRAQYECCNFGY-QFIPXVFZSA-N 1 0 452.647 3.683 20 0 JHADRO CCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCOc1ccc(Cl)cc1 ZINC001306141317 1068542247 /nfs/dbraw/zinc/54/22/47/1068542247.db2.gz DVVBJRVFYOZSHV-UHFFFAOYSA-N 1 0 461.054 3.568 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001306142071 1068543413 /nfs/dbraw/zinc/54/34/13/1068543413.db2.gz LOLPXRKMWDFRSN-ZWKOTPCHSA-N 1 0 458.676 3.730 20 0 JHADRO CCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CC1(CCOC)CCCCC1 ZINC001306142604 1068544282 /nfs/dbraw/zinc/54/42/82/1068544282.db2.gz RABXHQKYAWQMBQ-UHFFFAOYSA-N 1 0 460.711 3.822 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1CCCCC[NH+]1CCCC1 ZINC001306144338 1068547026 /nfs/dbraw/zinc/54/70/26/1068547026.db2.gz PLSGJGMBPDSHEB-UHFFFAOYSA-N 1 0 459.683 3.707 20 0 JHADRO CCc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306145249 1068548585 /nfs/dbraw/zinc/54/85/85/1068548585.db2.gz BJHUFBFZSRIYGP-RTBURBONSA-N 1 0 461.601 3.975 20 0 JHADRO CCc1nnc(N2CC[C@@H](Oc3ccccc3Cl)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001306147370 1068550160 /nfs/dbraw/zinc/55/01/60/1068550160.db2.gz JCGBVOHRTAARDJ-QGZVFWFLSA-N 1 0 450.052 3.979 20 0 JHADRO CCc1nnc(N2CCc3ccc(Br)cc3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001306154176 1068553049 /nfs/dbraw/zinc/55/30/49/1068553049.db2.gz GANSUQLAYPMRJP-HXUWFJFHSA-N 1 0 450.450 3.603 20 0 JHADRO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001306155672 1068554122 /nfs/dbraw/zinc/55/41/22/1068554122.db2.gz AZPAZWKDEIBTEW-RTWAWAEBSA-N 1 0 453.635 3.664 20 0 JHADRO CCc1nnc(N2CCc3cc(OC)c(OC)c(OC)c3CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001306158838 1068556233 /nfs/dbraw/zinc/55/62/33/1068556233.db2.gz YPCIQODCTKEYPQ-LJQANCHMSA-N 1 0 471.646 3.736 20 0 JHADRO CCc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001306164107 1068558990 /nfs/dbraw/zinc/55/89/90/1068558990.db2.gz FXUBDAAOUKIQNI-JOCHJYFZSA-N 1 0 488.721 3.502 20 0 JHADRO CCc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001306167083 1068563346 /nfs/dbraw/zinc/56/33/46/1068563346.db2.gz ZLSUTYBKRPMGBZ-HXUWFJFHSA-N 1 0 467.662 3.571 20 0 JHADRO CCc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001306172119 1068566874 /nfs/dbraw/zinc/56/68/74/1068566874.db2.gz WZKGMAXTPXHKPI-ZEQRLZLVSA-N 1 0 466.674 3.884 20 0 JHADRO CCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001306180395 1068571875 /nfs/dbraw/zinc/57/18/75/1068571875.db2.gz KOZVTFLGXDTUPZ-OAQYLSRUSA-N 1 0 464.580 3.826 20 0 JHADRO CCc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306184022 1068574983 /nfs/dbraw/zinc/57/49/83/1068574983.db2.gz CLKWPVUTWWPYPW-OAQYLSRUSA-N 1 0 458.695 3.970 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001306185077 1068575929 /nfs/dbraw/zinc/57/59/29/1068575929.db2.gz ICVPHMCKJRYBBP-UHFFFAOYSA-N 1 0 470.637 3.700 20 0 JHADRO CCc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001306185719 1068576366 /nfs/dbraw/zinc/57/63/66/1068576366.db2.gz OSLDZIBYJTZMDO-UHFFFAOYSA-N 1 0 452.647 3.592 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001306186045 1068577597 /nfs/dbraw/zinc/57/75/97/1068577597.db2.gz NQVJMRFPLCTUDL-OAQYLSRUSA-N 1 0 459.038 3.577 20 0 JHADRO CCc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001306186706 1068578028 /nfs/dbraw/zinc/57/80/28/1068578028.db2.gz YMZIONVZCRCPFL-HSZRJFAPSA-N 1 0 458.695 3.970 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306186342 1068578100 /nfs/dbraw/zinc/57/81/00/1068578100.db2.gz ZQUOCLJSNJRMGG-VXKWHMMOSA-N 1 0 466.674 3.868 20 0 JHADRO CCc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306195417 1068587278 /nfs/dbraw/zinc/58/72/78/1068587278.db2.gz PNGVYYCCBGYPTQ-HSALFYBXSA-N 1 0 490.643 3.890 20 0 JHADRO CCc1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001306197623 1068589883 /nfs/dbraw/zinc/58/98/83/1068589883.db2.gz QAEXAFVMTXMQEO-IBGZPJMESA-N 1 0 457.648 3.917 20 0 JHADRO CCc1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001306203622 1068593760 /nfs/dbraw/zinc/59/37/60/1068593760.db2.gz FMYYKWHETQGLNK-NRFANRHFSA-N 1 0 495.697 3.582 20 0 JHADRO CCc1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001306205891 1068596609 /nfs/dbraw/zinc/59/66/09/1068596609.db2.gz ZAFZQNSJMHKGQV-JOCHJYFZSA-N 1 0 495.716 3.730 20 0 JHADRO CCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1Cc1cc(Br)cs1 ZINC001306210652 1068601420 /nfs/dbraw/zinc/60/14/20/1068601420.db2.gz 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COC(=O)c1cccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1OC(C)C ZINC001310622793 1069064641 /nfs/dbraw/zinc/06/46/41/1069064641.db2.gz CDSDUFOKLJYILA-FQEVSTJZSA-N 1 0 455.555 3.673 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001306501787 1069066322 /nfs/dbraw/zinc/06/63/22/1069066322.db2.gz WXNZCUSXYLAJLK-VXKWHMMOSA-N 1 0 498.672 3.722 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001306501784 1069066351 /nfs/dbraw/zinc/06/63/51/1069066351.db2.gz WXNZCUSXYLAJLK-FCHUYYIVSA-N 1 0 498.672 3.722 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001306501897 1069067210 /nfs/dbraw/zinc/06/72/10/1069067210.db2.gz HLTVRLNWODKTGF-YPAWHYETSA-N 1 0 460.667 3.669 20 0 JHADRO CN1CC[NH+](CC2CCN(C(=O)N[C@H](c3ccc(F)c(Cl)c3)C(F)(F)F)CC2)CC1 ZINC001310641722 1069078377 /nfs/dbraw/zinc/07/83/77/1069078377.db2.gz GKFMHEWMGJFPQL-GOSISDBHSA-N 1 0 450.908 3.752 20 0 JHADRO Cc1cc(F)c(Br)cc1NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001310664009 1069095784 /nfs/dbraw/zinc/09/57/84/1069095784.db2.gz NCCJUHPAEORIFB-NRFANRHFSA-N 1 0 450.352 3.997 20 0 JHADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC001310683753 1069108309 /nfs/dbraw/zinc/10/83/09/1069108309.db2.gz KEFJFIWGNCMRFN-ZDUSSCGKSA-N 1 0 454.394 3.542 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001306513458 1069112311 /nfs/dbraw/zinc/11/23/11/1069112311.db2.gz XVNXBUMGXAJGRR-LJQANCHMSA-N 1 0 488.627 3.764 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306514997 1069116159 /nfs/dbraw/zinc/11/61/59/1069116159.db2.gz AHVKQVWCRJDLIS-VXKWHMMOSA-N 1 0 467.662 3.593 20 0 JHADRO CCc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)[NH+](CC)CC)cc1 ZINC001310719331 1069132430 /nfs/dbraw/zinc/13/24/30/1069132430.db2.gz QZUROHYHNHLSBW-HXUWFJFHSA-N 1 0 450.580 3.501 20 0 JHADRO Cc1c(NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001310724506 1069136328 /nfs/dbraw/zinc/13/63/28/1069136328.db2.gz IYQAGCQKOCTZGL-GOSISDBHSA-N 1 0 450.509 3.849 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(C)n2C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC001306519684 1069137733 /nfs/dbraw/zinc/13/77/33/1069137733.db2.gz QNYBVICGKCXOSN-ZJSXRUAMSA-N 1 0 468.646 3.565 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001306519950 1069138227 /nfs/dbraw/zinc/13/82/27/1069138227.db2.gz WPJAEILSDLHMED-LEWJYISDSA-N 1 0 470.637 3.625 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001306521639 1069143987 /nfs/dbraw/zinc/14/39/87/1069143987.db2.gz IIKVEYSIFAOSEE-NHCUHLMSSA-N 1 0 460.667 3.527 20 0 JHADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC001310745046 1069147551 /nfs/dbraw/zinc/14/75/51/1069147551.db2.gz DTJZJKATIVZSJJ-HXUWFJFHSA-N 1 0 456.974 3.736 20 0 JHADRO CCC[C@](C)(O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001306526396 1069155200 /nfs/dbraw/zinc/15/52/00/1069155200.db2.gz JUHKWUMYHDQVHJ-OASJLCFRSA-N 1 0 468.690 3.587 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001306529721 1069167038 /nfs/dbraw/zinc/16/70/38/1069167038.db2.gz OSXHJFJHKINDHF-JPYJTQIMSA-N 1 0 466.001 3.590 20 0 JHADRO CCOC(=O)[C@@H]1CCCc2sc(NC(=O)NC3CC[NH+]([C@H](C)c4ccncc4)CC3)nc21 ZINC001310813537 1069174739 /nfs/dbraw/zinc/17/47/39/1069174739.db2.gz RTJDIDBVZODBPC-CRAIPNDOSA-N 1 0 457.600 3.868 20 0 JHADRO CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)c2)c1 ZINC001310832382 1069183768 /nfs/dbraw/zinc/18/37/68/1069183768.db2.gz LQTICBXZADOLEX-RUZDIDTESA-N 1 0 450.539 3.675 20 0 JHADRO CCC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001306543570 1069194870 /nfs/dbraw/zinc/19/48/70/1069194870.db2.gz VKNBXBRBINOZMY-KJOQGJGQSA-N 1 0 454.663 3.906 20 0 JHADRO CCC[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](C)(CC)C1 ZINC001306545300 1069199815 /nfs/dbraw/zinc/19/98/15/1069199815.db2.gz AUQIAOWICTZYFF-KAYWLYCHSA-N 1 0 468.690 3.820 20 0 JHADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cc(Br)ccc1OC(F)(F)F ZINC001310911763 1069219146 /nfs/dbraw/zinc/21/91/46/1069219146.db2.gz LSURGTWRWMDEOA-LBPRGKRZSA-N 1 0 455.319 3.741 20 0 JHADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Nc2cnn([C@H](C)c3ccccc3)c2)CC1 ZINC001310915021 1069221049 /nfs/dbraw/zinc/22/10/49/1069221049.db2.gz KXJVHLKQWPPVJZ-HXUWFJFHSA-N 1 0 454.619 3.584 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001306556563 1069224919 /nfs/dbraw/zinc/22/49/19/1069224919.db2.gz TWKXTXIZQRUPDV-LADGPHEKSA-N 1 0 482.673 3.678 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)N[C@@H](C[C@H]3CCCO3)C(F)(F)F)cc2)C[C@H](C)O1 ZINC001310933963 1069226602 /nfs/dbraw/zinc/22/66/02/1069226602.db2.gz CRHKHPMSORRRDY-OVQGTLEDSA-N 1 0 457.537 3.937 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1CC1 ZINC001310935868 1069227009 /nfs/dbraw/zinc/22/70/09/1069227009.db2.gz IJTPVZUAXPQEBA-ROUUACIJSA-N 1 0 458.525 3.652 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001306557792 1069227161 /nfs/dbraw/zinc/22/71/61/1069227161.db2.gz WSYAEIYJJAPFTF-RTWAWAEBSA-N 1 0 452.647 3.833 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001306557791 1069227216 /nfs/dbraw/zinc/22/72/16/1069227216.db2.gz WSYAEIYJJAPFTF-NHCUHLMSSA-N 1 0 452.647 3.833 20 0 JHADRO C[C@@H]1C[C@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001310939027 1069228598 /nfs/dbraw/zinc/22/85/98/1069228598.db2.gz TVHNZVXGQXRFBJ-KBAYOESNSA-N 1 0 458.525 3.794 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001306558947 1069228967 /nfs/dbraw/zinc/22/89/67/1069228967.db2.gz JSRBARVJGJYRHW-UGKGYDQZSA-N 1 0 451.623 3.668 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001306558892 1069229171 /nfs/dbraw/zinc/22/91/71/1069229171.db2.gz IUUFALXEQBQNOH-IFMALSPDSA-N 1 0 471.646 3.946 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[NH+]1CCCCC1 ZINC001306570299 1069237913 /nfs/dbraw/zinc/23/79/13/1069237913.db2.gz ADSXMBLCJWOFRI-LJQANCHMSA-N 1 0 461.680 3.739 20 0 JHADRO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC001310981624 1069239228 /nfs/dbraw/zinc/23/92/28/1069239228.db2.gz OSPOQMLONZVULX-FQEVSTJZSA-N 1 0 451.596 3.712 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001306572370 1069239480 /nfs/dbraw/zinc/23/94/80/1069239480.db2.gz BVUMTSBQEPDRNW-UTKZUKDTSA-N 1 0 465.631 3.910 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001306572820 1069240120 /nfs/dbraw/zinc/24/01/20/1069240120.db2.gz UIGHNAOEAPRYCE-WOJBJXKFSA-N 1 0 475.707 3.983 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001306573469 1069240594 /nfs/dbraw/zinc/24/05/94/1069240594.db2.gz ZZAMRXHOLJVQNM-UGKGYDQZSA-N 1 0 465.646 3.937 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001306580695 1069245670 /nfs/dbraw/zinc/24/56/70/1069245670.db2.gz LTVFABXUAMYMAY-NFBKMPQASA-N 1 0 455.647 3.802 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001306584565 1069250425 /nfs/dbraw/zinc/25/04/25/1069250425.db2.gz IEBCVRMFUODXNE-BHDDXSALSA-N 1 0 474.694 3.568 20 0 JHADRO CCC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)OC ZINC001306590573 1069259296 /nfs/dbraw/zinc/25/92/96/1069259296.db2.gz VEJGDJVBPDMWAH-NFBKMPQASA-N 1 0 457.667 3.975 20 0 JHADRO CCCC(O)(CCC)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306595495 1069268846 /nfs/dbraw/zinc/26/88/46/1069268846.db2.gz WJZZCXYVOLVYHJ-UHFFFAOYSA-N 1 0 471.646 3.586 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1(C)C ZINC001311164096 1069287203 /nfs/dbraw/zinc/28/72/03/1069287203.db2.gz TYFBWKQTBSQSOU-NRFANRHFSA-N 1 0 457.619 3.834 20 0 JHADRO CCCc1nc(C)c(Cn2c(COCC)nnc2N2CCC[N@H+](Cc3ccc(F)cc3)CC2)o1 ZINC001306612809 1069291789 /nfs/dbraw/zinc/29/17/89/1069291789.db2.gz PEPLLVJSOFEAKH-UHFFFAOYSA-N 1 0 470.593 3.963 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001306614909 1069294814 /nfs/dbraw/zinc/29/48/14/1069294814.db2.gz CFYSBHCCAKAQQX-NFBKMPQASA-N 1 0 489.636 3.798 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C)n2CCc2ccc(OC)c(Br)c2)CC[N@@H+]1CCOC ZINC001306619161 1069303129 /nfs/dbraw/zinc/30/31/29/1069303129.db2.gz YBBRJJKSDIYNSR-LJQANCHMSA-N 1 0 480.451 3.537 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)C2CCCCC2)CCO1 ZINC001306619419 1069303629 /nfs/dbraw/zinc/30/36/29/1069303629.db2.gz XTLXYVKUIJKFKZ-JOCHJYFZSA-N 1 0 489.686 3.618 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCC(C)(C)O)CC[N@@H+]1CCOC ZINC001306619791 1069305235 /nfs/dbraw/zinc/30/52/35/1069305235.db2.gz ZRPBLMNZLGJQRS-HXUWFJFHSA-N 1 0 494.478 3.806 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2CCc2sc(C)nc2C)CC[N@@H+]1CCOC ZINC001306620134 1069305946 /nfs/dbraw/zinc/30/59/46/1069305946.db2.gz FBLNBDPKCUOWJP-NRFANRHFSA-N 1 0 469.659 3.593 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccccc2Cl)CC[N@@H+]1CCOC ZINC001306620423 1069306900 /nfs/dbraw/zinc/30/69/00/1069306900.db2.gz GMTYMGSUIDSKMF-RLWLMLJZSA-N 1 0 499.059 3.838 20 0 JHADRO [NH3+]CC1(F)CCN(C(F)(F)c2cccc(S(=O)(=O)Nc3nc4ccccc4nc3Cl)c2)CC1 ZINC001164388901 718813235 /nfs/dbraw/zinc/81/32/35/718813235.db2.gz RLETTZUPSYMIFD-UHFFFAOYSA-N 1 0 499.946 3.896 20 0 JHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCO[C@@H]5C[NH2+]CC[C@@H]5C4)c23)C1 ZINC001164404106 718864202 /nfs/dbraw/zinc/86/42/02/718864202.db2.gz ACLFTSOXQGMLJQ-QWFCFKBJSA-N 1 0 455.672 3.617 20 0 JHADRO CC(C)(C)C(=O)Nc1ccnc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1CN1CC[C@H](CO)C1 ZINC001164415076 718880832 /nfs/dbraw/zinc/88/08/32/718880832.db2.gz ZYEAWJQHBDOACR-FXAWDEMLSA-N 1 0 497.606 3.534 20 0 JHADRO COc1cccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)cnc2Cl)c1 ZINC001164416531 718886066 /nfs/dbraw/zinc/88/60/66/718886066.db2.gz YWKZMRPFCIYQPE-UHFFFAOYSA-N 1 0 460.916 3.646 20 0 JHADRO Brc1cccc2c([C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CCO3)ncn21 ZINC001164416299 718890413 /nfs/dbraw/zinc/89/04/13/718890413.db2.gz CXVXVMBDOAGFGC-GOSISDBHSA-N 1 0 472.387 3.544 20 0 JHADRO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164423232 718914286 /nfs/dbraw/zinc/91/42/86/718914286.db2.gz GJXSPEMHDAROPW-KRWDZBQOSA-N 1 0 467.731 3.720 20 0 JHADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@H]4OCC(F)(F)[C@H]4C3)c21 ZINC001164426283 718927231 /nfs/dbraw/zinc/92/72/31/718927231.db2.gz ZCYTWPMTXYYWKN-ZWKOTPCHSA-N 1 0 475.923 3.867 20 0 JHADRO Cc1nc2c(n1[C@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)CC[NH2+]CC2 ZINC001164429926 718948797 /nfs/dbraw/zinc/94/87/97/718948797.db2.gz QUUFWMXLBNCOBN-JOCHJYFZSA-N 1 0 461.372 3.663 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc3ncc(Cl)nc3c1)C2 ZINC001164618204 719008457 /nfs/dbraw/zinc/00/84/57/719008457.db2.gz QWHTVHPIYQIPPO-XMSQKQJNSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164620665 719009911 /nfs/dbraw/zinc/00/99/11/719009911.db2.gz ZDQIIIDABYREAX-SBUREZEXSA-N 1 0 491.970 3.886 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164620753 719010638 /nfs/dbraw/zinc/01/06/38/719010638.db2.gz ZLQJJRKQEOLLCL-UTKZUKDTSA-N 1 0 454.949 3.702 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc3c1CCC3)C2 ZINC001164618892 719011801 /nfs/dbraw/zinc/01/18/01/719011801.db2.gz UMLNLRJPZUQBIS-AVRDEDQJSA-N 1 0 453.961 3.918 20 0 JHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164620797 719017540 /nfs/dbraw/zinc/01/75/40/719017540.db2.gz ZMMDEKYODVNVLV-JYBIWHBTSA-N 1 0 483.682 3.532 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)CC2)CC1 ZINC001164614027 719023570 /nfs/dbraw/zinc/02/35/70/719023570.db2.gz LTODXGIIOQLVTK-UHFFFAOYSA-N 1 0 485.028 3.909 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)CC2)CC1 ZINC001164617906 719028018 /nfs/dbraw/zinc/02/80/18/719028018.db2.gz RFPYABSTTSVEGB-UHFFFAOYSA-N 1 0 451.011 3.507 20 0 JHADRO CCOC(=O)c1cc2c(N3CCC([NH+]4CCC(C(=O)OCC)CC4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164617373 719028472 /nfs/dbraw/zinc/02/84/72/719028472.db2.gz KRQZHRDNEMUDTA-UHFFFAOYSA-N 1 0 456.587 3.600 20 0 JHADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@@H]2CF)CC1 ZINC001164625811 719121587 /nfs/dbraw/zinc/12/15/87/719121587.db2.gz YZGTWGPQEYAJEY-ICSRJNTNSA-N 1 0 467.614 3.704 20 0 JHADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c2c1C ZINC001164621197 719122233 /nfs/dbraw/zinc/12/22/33/719122233.db2.gz LRFMSCWWVJKSJQ-DLBZAZTESA-N 1 0 475.634 3.676 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](c3ccccc3)[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)nc1 ZINC001164631434 719143682 /nfs/dbraw/zinc/14/36/82/719143682.db2.gz NOVBRSNRGSYBHY-BOCWGRARSA-N 1 0 489.664 3.539 20 0 JHADRO CSc1nc(C)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680250 719655484 /nfs/dbraw/zinc/65/54/84/719655484.db2.gz DPPIKHPZXSOLGL-LJQANCHMSA-N 1 0 453.656 3.600 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3nccc(Cl)n3)CC2)c2ccccc21 ZINC001164679963 719659151 /nfs/dbraw/zinc/65/91/51/719659151.db2.gz BKXWBYDJSLKVTC-KRWDZBQOSA-N 1 0 477.987 3.768 20 0 JHADRO COC(=O)c1cc(Cl)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681360 719661448 /nfs/dbraw/zinc/66/14/48/719661448.db2.gz MFNUIQQRZJSZPR-SFHVURJKSA-N 1 0 485.028 3.615 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3ccc(Cl)nn3)CC2)c2ccccc21 ZINC001164684489 719661666 /nfs/dbraw/zinc/66/16/66/719661666.db2.gz XPJWEPYVPKAOOZ-QGZVFWFLSA-N 1 0 477.987 3.768 20 0 JHADRO COC(=O)c1cc(Cl)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681359 719661848 /nfs/dbraw/zinc/66/18/48/719661848.db2.gz MFNUIQQRZJSZPR-GOSISDBHSA-N 1 0 485.028 3.615 20 0 JHADRO COc1ccc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164680680 719661856 /nfs/dbraw/zinc/66/18/56/719661856.db2.gz HJRQSYQPCHYZGI-FQEVSTJZSA-N 1 0 473.621 3.732 20 0 JHADRO COc1ccc2cnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc2c1 ZINC001164681437 719663844 /nfs/dbraw/zinc/66/38/44/719663844.db2.gz OUNILZKGRADDGJ-OAQYLSRUSA-N 1 0 473.621 3.732 20 0 JHADRO COc1ccc2ncc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc2c1 ZINC001164682986 719669067 /nfs/dbraw/zinc/66/90/67/719669067.db2.gz QHJIGSNDIBQJBS-HXUWFJFHSA-N 1 0 473.621 3.732 20 0 JHADRO CSc1nc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2s1 ZINC001164680824 719674744 /nfs/dbraw/zinc/67/47/44/719674744.db2.gz HUOYXSGLBCTUGG-KRWDZBQOSA-N 1 0 496.706 3.902 20 0 JHADRO CCOCc1cnc(Cl)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681475 719675143 /nfs/dbraw/zinc/67/51/43/719675143.db2.gz LIVJQIGNHCNDNZ-LJQANCHMSA-N 1 0 486.060 3.760 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cncc(Cl)n3)CC2)c2ccccc21 ZINC001164681071 719675605 /nfs/dbraw/zinc/67/56/05/719675605.db2.gz JFQOLCUUYVCAAH-QGZVFWFLSA-N 1 0 477.987 3.768 20 0 JHADRO CSc1cnc(Cl)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684548 719676226 /nfs/dbraw/zinc/67/62/26/719676226.db2.gz UQZJLIKIPHXUFQ-KRWDZBQOSA-N 1 0 474.074 3.945 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3nccnc3Cl)CC2)c2ccccc21 ZINC001164681055 719676729 /nfs/dbraw/zinc/67/67/29/719676729.db2.gz JBYUWYLGUFSONM-QGZVFWFLSA-N 1 0 477.987 3.768 20 0 JHADRO C=Cc1nc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1OC ZINC001164686903 719676741 /nfs/dbraw/zinc/67/67/41/719676741.db2.gz YWTOBJAGPSHNNK-GOSISDBHSA-N 1 0 484.044 3.875 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(-c4ccncc4)ncn3)CC2)c2ccccc21 ZINC001164682794 719678857 /nfs/dbraw/zinc/67/88/57/719678857.db2.gz PRBFRBMLDGUICK-JOCHJYFZSA-N 1 0 470.621 3.632 20 0 JHADRO CC(C)COc1nccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164688221 719680752 /nfs/dbraw/zinc/68/07/52/719680752.db2.gz YEUBDSKKJXFDMC-OAQYLSRUSA-N 1 0 465.642 3.605 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccnc3OC3CCC3)CC2)c2ccccc21 ZINC001164687127 719681561 /nfs/dbraw/zinc/68/15/61/719681561.db2.gz PUWIDARNESCUFE-FQEVSTJZSA-N 1 0 463.626 3.501 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164685064 719708108 /nfs/dbraw/zinc/70/81/08/719708108.db2.gz QMUFGVQXHKZQEV-UHFFFAOYSA-N 1 0 458.340 3.662 20 0 JHADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692505 719809329 /nfs/dbraw/zinc/80/93/29/719809329.db2.gz IOYRLATZZVLTON-UHFFFAOYSA-N 1 0 450.008 3.636 20 0 JHADRO CCOC(=O)c1ccnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1C(=O)OCC ZINC001164700247 719817023 /nfs/dbraw/zinc/81/70/23/719817023.db2.gz KIDHQOIRFQLBIP-UHFFFAOYSA-N 1 0 472.611 3.835 20 0 JHADRO Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)CC3)cn1 ZINC001164696454 719827400 /nfs/dbraw/zinc/82/74/00/719827400.db2.gz KMYVTURTCKRRDU-QGZVFWFLSA-N 1 0 463.960 3.933 20 0 JHADRO COc1cccc(NC(=O)c2nc3c(s2)CCN(c2ccc(C[N@H+](C)C4CC4)cn2)CC3)c1 ZINC001164709245 720089102 /nfs/dbraw/zinc/08/91/02/720089102.db2.gz CMHLHNXVKWEYOH-UHFFFAOYSA-N 1 0 463.607 3.998 20 0 JHADRO CCOC(=O)/C=C/c1cccnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164711529 720096273 /nfs/dbraw/zinc/09/62/73/720096273.db2.gz QKICGTHWJJHDIA-JJNABOQBSA-N 1 0 450.583 3.560 20 0 JHADRO CCOC(=O)c1nc2ccccc2c(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164709728 720097840 /nfs/dbraw/zinc/09/78/40/720097840.db2.gz CQABVQVYJANLHY-OAQYLSRUSA-N 1 0 475.593 3.709 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH]c(Cl)cc3nc(C(=O)OC)cc1-3)CC2 ZINC001164710420 720130302 /nfs/dbraw/zinc/13/03/02/720130302.db2.gz BERFZRDRQWJJBP-GOSISDBHSA-N 1 0 484.000 3.905 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(/C=C\C(=O)OC)cc3cc[nH]c31)CC2 ZINC001164711133 720132073 /nfs/dbraw/zinc/13/20/73/720132073.db2.gz FPAOUPBTVGYQFY-KSEXMQBYSA-N 1 0 475.593 3.652 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3ccc(C(=O)OC)cc3cn1)CC2 ZINC001164711271 720137692 /nfs/dbraw/zinc/13/76/92/720137692.db2.gz GVDMMFOYRQWVGR-DEOSSOPVSA-N 1 0 460.578 3.924 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N3CCC(C)CC3)cn1)CC2 ZINC001164714861 720139929 /nfs/dbraw/zinc/13/99/29/720139929.db2.gz ZWVZOPSPBKVCPK-VWLOTQADSA-N 1 0 477.653 3.856 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164711160 720146950 /nfs/dbraw/zinc/14/69/50/720146950.db2.gz FSENEPMOHKJEOM-FDDCHVKYSA-N 1 0 499.965 3.838 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164712217 720151304 /nfs/dbraw/zinc/15/13/04/720151304.db2.gz KXJQYMADCXZUKJ-QFIPXVFZSA-N 1 0 460.582 3.912 20 0 JHADRO Cn1nnc2c1CCN(c1cc(-c3ccccc3)cc(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717824 720180823 /nfs/dbraw/zinc/18/08/23/720180823.db2.gz MUCKYWBJYJIIHM-NRFANRHFSA-N 1 0 452.990 3.747 20 0 JHADRO Cn1nnc2c1CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715007 720196554 /nfs/dbraw/zinc/19/65/54/720196554.db2.gz IMMPPSCRIVZADS-OAQYLSRUSA-N 1 0 493.612 3.842 20 0 JHADRO Cc1nc(-c2ccccc2Cl)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1C ZINC001164715028 720200792 /nfs/dbraw/zinc/20/07/92/720200792.db2.gz INUYCVICXFUPSX-JOCHJYFZSA-N 1 0 482.032 3.759 20 0 JHADRO Cn1nnc2c1CCN(c1cc(Cl)nc3c(F)ccc(F)c13)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719254 720206394 /nfs/dbraw/zinc/20/63/94/720206394.db2.gz PQXHJGJCDPIGCC-GOSISDBHSA-N 1 0 462.932 3.511 20 0 JHADRO CCc1nc2sc3c(c2c(N2CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C2)n1)CCC3 ZINC001164812960 720234606 /nfs/dbraw/zinc/23/46/06/720234606.db2.gz LCSFODUZVWUHRJ-UHFFFAOYSA-N 1 0 452.628 3.550 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccccc3nc1N1CCCC[C@H]1C)CCC2 ZINC001164812898 720237578 /nfs/dbraw/zinc/23/75/78/720237578.db2.gz KBSMNRVQNUTOEX-HXUWFJFHSA-N 1 0 475.641 3.816 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cccc3c(Cl)ncnc31)CCC2 ZINC001164814559 720237875 /nfs/dbraw/zinc/23/78/75/720237875.db2.gz YOQGMVRUPPQWTJ-UHFFFAOYSA-N 1 0 462.932 3.635 20 0 JHADRO COc1cc2c(cc(Cl)nc2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc1F ZINC001164818570 720247996 /nfs/dbraw/zinc/24/79/96/720247996.db2.gz ZNRPRDBYTPQTFK-UHFFFAOYSA-N 1 0 459.953 3.843 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)CC1 ZINC001164823958 720316349 /nfs/dbraw/zinc/31/63/49/720316349.db2.gz CALLGJNUBAYXHG-OALUTQOASA-N 1 0 481.950 3.879 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc3cc[nH]c3c(Cl)n2)CC1 ZINC001164829702 720332516 /nfs/dbraw/zinc/33/25/16/720332516.db2.gz NBTLMVQBFCUIOF-IAGOWNOFSA-N 1 0 451.949 3.673 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3ccn(C(=O)c4ccccc4)c3n2)CC1 ZINC001164825374 720333858 /nfs/dbraw/zinc/33/38/58/720333858.db2.gz DHRZPUYOCFJVFN-DNQXCXABSA-N 1 0 471.605 3.636 20 0 JHADRO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164830830 720334938 /nfs/dbraw/zinc/33/49/38/720334938.db2.gz QCJVJLSKSCIXIR-MSOLQXFVSA-N 1 0 459.006 3.913 20 0 JHADRO CCc1nc2sc3c(c2c(N2CC[C@H]4[C@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCC3 ZINC001164831699 720337027 /nfs/dbraw/zinc/33/70/27/720337027.db2.gz ZROXHIPPPYKDBZ-MOPGFXCFSA-N 1 0 453.656 3.654 20 0 JHADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164823505 720339127 /nfs/dbraw/zinc/33/91/27/720339127.db2.gz GKRMAUFKDFIEND-FCHUYYIVSA-N 1 0 496.725 3.815 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)nc(-c3ccc(F)cc3)n2)CC1 ZINC001164827509 720343552 /nfs/dbraw/zinc/34/35/52/720343552.db2.gz MLIBXXQSEDLJKB-WOJBJXKFSA-N 1 0 457.981 3.848 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2OCc2ccc(F)cc2)CC1 ZINC001164822841 720344153 /nfs/dbraw/zinc/34/41/53/720344153.db2.gz FULHQCLAQSDIEP-XZOQPEGZSA-N 1 0 452.574 3.711 20 0 JHADRO O=C(C[C@@H]1OC[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC[C@H]21)N1CCCCC1 ZINC001164835098 720499073 /nfs/dbraw/zinc/49/90/73/720499073.db2.gz WUMJOGKUPRQDEE-WEWMWRJBSA-N 1 0 474.649 3.884 20 0 JHADRO O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@H]21)N1CCCCC1 ZINC001164832762 720504086 /nfs/dbraw/zinc/50/40/86/720504086.db2.gz BBPWHCNQNSJUTD-DWLFOUALSA-N 1 0 495.014 3.901 20 0 JHADRO 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CC(C)(C)N(c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734953 720546051 /nfs/dbraw/zinc/54/60/51/720546051.db2.gz LPTCRVVBQUZKSC-IBGZPJMESA-N 1 0 499.725 3.918 20 0 JHADRO CC(C)(C)N(c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734482 720546452 /nfs/dbraw/zinc/54/64/52/720546452.db2.gz IZYJQTPUUWZIRH-SFHVURJKSA-N 1 0 485.698 3.528 20 0 JHADRO Clc1nc2c(c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n1)CN(Cc1ccccc1)CC2 ZINC001164732667 720553780 /nfs/dbraw/zinc/55/37/80/720553780.db2.gz CIEGUPXFVODGMU-UHFFFAOYSA-N 1 0 478.044 3.543 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(NC(=O)OC(C)(C)C)c4nc[nH]c43)CC[C@@H]21 ZINC001164842743 720592767 /nfs/dbraw/zinc/59/27/67/720592767.db2.gz VKFFBJQJCBXSOX-BJLQDIEVSA-N 1 0 480.617 3.879 20 0 JHADRO COc1ccc(Oc2nc(Cl)ncc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001164745691 720596694 /nfs/dbraw/zinc/59/66/94/720596694.db2.gz VGTRUGSTDKCBJC-UHFFFAOYSA-N 1 0 454.962 3.786 20 0 JHADRO 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CC1([NH+]2CCOCC2)CCN(C(=O)Nc2nc3c(cccc3OCC(F)(F)F)s2)CC1 ZINC001311301011 1069320296 /nfs/dbraw/zinc/32/02/96/1069320296.db2.gz HMNFPEYYJGNYOH-UHFFFAOYSA-N 1 0 458.506 3.956 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)c2c(C)noc2C)CC[N@@H+]1CCOC ZINC001306626454 1069321256 /nfs/dbraw/zinc/32/12/56/1069321256.db2.gz YMTVSQZNIMLGKO-VLCRHTCISA-N 1 0 474.650 3.518 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC001306626284 1069321537 /nfs/dbraw/zinc/32/15/37/1069321537.db2.gz XRZJEZGYULRZHI-DHIUTWEWSA-N 1 0 457.619 3.514 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCCO2)CC[N@@H+]1CCOC ZINC001306627853 1069325134 /nfs/dbraw/zinc/32/51/34/1069325134.db2.gz VOGPXZCDBRYRMH-ZEQRLZLVSA-N 1 0 455.647 3.684 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H](C)[NH+]2CCCCC2)CCO1 ZINC001306630759 1069330748 /nfs/dbraw/zinc/33/07/48/1069330748.db2.gz QRJPJJXHYINXRO-WOJBJXKFSA-N 1 0 474.675 3.539 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC001311345475 1069331962 /nfs/dbraw/zinc/33/19/62/1069331962.db2.gz QLVBUQOMIVFRKU-QHCPKHFHSA-N 1 0 456.656 3.997 20 0 JHADRO COc1ccc([C@@H](C)NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(Br)c1 ZINC001311346324 1069332323 /nfs/dbraw/zinc/33/23/23/1069332323.db2.gz ZVAHAMKWVKJYAR-MRXNPFEDSA-N 1 0 454.409 3.853 20 0 JHADRO COc1ccc([C@H](CNC(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)[NH+]2CCCC2)cc1 ZINC001311346525 1069333077 /nfs/dbraw/zinc/33/30/77/1069333077.db2.gz QCHYRVQQXASQOB-SFTDATJTSA-N 1 0 451.489 3.884 20 0 JHADRO C[NH+]1CCC(NC(=O)N(CCOc2cccc(Br)c2)C[C@H]2CCCS2)CC1 ZINC001311346578 1069333141 /nfs/dbraw/zinc/33/31/41/1069333141.db2.gz AKJKRKAQCZVXNJ-LJQANCHMSA-N 1 0 456.450 3.829 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)s2)CC[N@@H+]1CCOC ZINC001306632260 1069333404 /nfs/dbraw/zinc/33/34/04/1069333404.db2.gz XDQBBZONCAVLBX-IBGZPJMESA-N 1 0 492.093 3.840 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)[NH+](C)C)cc1OC ZINC001311349277 1069335568 /nfs/dbraw/zinc/33/55/68/1069335568.db2.gz MNMFBWPANMYRGG-OAQYLSRUSA-N 1 0 451.567 3.957 20 0 JHADRO CCC[C@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001306633303 1069336145 /nfs/dbraw/zinc/33/61/45/1069336145.db2.gz SGPWGAPBMDPEDN-YADHBBJMSA-N 1 0 471.646 3.991 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(O)cc2)CC[N@@H+]1CCOC ZINC001306634398 1069339469 /nfs/dbraw/zinc/33/94/69/1069339469.db2.gz IBPITVNTUBUIAW-GMKZXUHWSA-N 1 0 485.673 3.888 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc(CC)n2CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC001306635481 1069342444 /nfs/dbraw/zinc/34/24/44/1069342444.db2.gz GIKDTPQLBCDJPK-UHFFFAOYSA-N 1 0 476.735 3.867 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(F)(F)F)n2)CC[N@@H+]1CCOC ZINC001306635559 1069342541 /nfs/dbraw/zinc/34/25/41/1069342541.db2.gz PTYHXMPZQYRZGT-RTBURBONSA-N 1 0 482.551 3.529 20 0 JHADRO COc1ccccc1C[C@](C)(CO)NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001311358754 1069342637 /nfs/dbraw/zinc/34/26/37/1069342637.db2.gz MXQKNRLQOAMRQA-NOMHHCBYSA-N 1 0 453.627 3.966 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)C1 ZINC001311358489 1069342800 /nfs/dbraw/zinc/34/28/00/1069342800.db2.gz BQQJSFRIQUGVRM-WFXMLNOXSA-N 1 0 455.018 3.614 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2Cc2ncccc2C)CC[N@@H+]1CCOC ZINC001306638545 1069348490 /nfs/dbraw/zinc/34/84/90/1069348490.db2.gz AHRYJIWGBZLBHC-HXUWFJFHSA-N 1 0 452.578 3.773 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccs1 ZINC001311374611 1069349903 /nfs/dbraw/zinc/34/99/03/1069349903.db2.gz NGKFPESLQNSGDV-IRLDBZIGSA-N 1 0 457.621 3.843 20 0 JHADRO CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001306640741 1069351203 /nfs/dbraw/zinc/35/12/03/1069351203.db2.gz HVPABNFCVJJPMD-UHFFFAOYSA-N 1 0 461.680 3.515 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[C@H]2OC)CC[N@@H+]1CCOC ZINC001306639863 1069350775 /nfs/dbraw/zinc/35/07/75/1069350775.db2.gz CZNJWTLDSFSJOL-TXTKFYIRSA-N 1 0 459.610 3.836 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NC[C@]3(C)OCCc4sccc43)CC2)c1 ZINC001311379601 1069352852 /nfs/dbraw/zinc/35/28/52/1069352852.db2.gz DIYYHCFCRCJQPF-VWLOTQADSA-N 1 0 456.656 3.746 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NCc3ccc(OC(C)(C)C)nc3)CC2)c1 ZINC001311380634 1069354082 /nfs/dbraw/zinc/35/40/82/1069354082.db2.gz MHKNGGDOIPJVOZ-UHFFFAOYSA-N 1 0 453.631 3.969 20 0 JHADRO COc1ccc(Cl)cc1CN1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC001311396252 1069360780 /nfs/dbraw/zinc/36/07/80/1069360780.db2.gz PKCMTRCWDMHDKA-JOCHJYFZSA-N 1 0 451.055 3.932 20 0 JHADRO CC(C)[C@H](CNC(=O)N[C@](C)(CO)Cc1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC001311392106 1069359093 /nfs/dbraw/zinc/35/90/93/1069359093.db2.gz JVKWNKFCMOCHAJ-UNMCSNQZSA-N 1 0 454.453 3.798 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCn2cc(Cl)cn2)CC[N@@H+]1CCOC ZINC001306647410 1069359122 /nfs/dbraw/zinc/35/91/22/1069359122.db2.gz OZKNLFZWPNRDKV-NRFANRHFSA-N 1 0 472.037 3.741 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC(O)(c2ccc(Br)cc2)C1)c1ccsc1 ZINC001311394134 1069359828 /nfs/dbraw/zinc/35/98/28/1069359828.db2.gz HNDGSYPJRUYACH-SFHVURJKSA-N 1 0 452.418 3.807 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)OC)CC[N@@H+]1CCOC ZINC001306649563 1069361395 /nfs/dbraw/zinc/36/13/95/1069361395.db2.gz VKVJVQCGGIQKNJ-GOSISDBHSA-N 1 0 450.027 3.961 20 0 JHADRO CC(C)[C@@H](CNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC001311398582 1069361446 /nfs/dbraw/zinc/36/14/46/1069361446.db2.gz ZKFJFOJDDKYKCS-ZCNNSNEGSA-N 1 0 454.656 3.803 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1)c1ccsc1 ZINC001311398814 1069361507 /nfs/dbraw/zinc/36/15/07/1069361507.db2.gz JZZHKFYDZOBGMZ-AZUAARDMSA-N 1 0 452.418 3.807 20 0 JHADRO CCOC(=O)c1csc(CC2CCN(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC001311402696 1069362316 /nfs/dbraw/zinc/36/23/16/1069362316.db2.gz DQEHGSWGOHYGQU-HDICACEKSA-N 1 0 450.649 3.652 20 0 JHADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N[C@@H](c1ccccc1)C1CCOCC1 ZINC001311424979 1069373240 /nfs/dbraw/zinc/37/32/40/1069373240.db2.gz VJOVMSDNOWRJPK-SANMLTNESA-N 1 0 450.627 3.661 20 0 JHADRO C[C@@H](O)C[C@@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001311425358 1069374132 /nfs/dbraw/zinc/37/41/32/1069374132.db2.gz VTEBFKFOANVYIZ-NQIIRXRSSA-N 1 0 456.553 3.553 20 0 JHADRO COc1ccc(C[C@H](C)CN(C)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC001311424176 1069372426 /nfs/dbraw/zinc/37/24/26/1069372426.db2.gz PYMDNIIPXUPSES-NVQXNPDNSA-N 1 0 452.643 3.894 20 0 JHADRO CCOC(=O)c1csc(CC2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC001311430782 1069376535 /nfs/dbraw/zinc/37/65/35/1069376535.db2.gz SMPJFCSKBZWGDE-SFHVURJKSA-N 1 0 450.649 3.939 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)C1 ZINC001311433112 1069377401 /nfs/dbraw/zinc/37/74/01/1069377401.db2.gz LEKXOCYUEXANOO-SKWRMQMOSA-N 1 0 480.694 3.848 20 0 JHADRO Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)NCC3([NH+](C)C)CCCCCC3)CC2)c(C)c1 ZINC001311434842 1069378154 /nfs/dbraw/zinc/37/81/54/1069378154.db2.gz FGGLVLDMMNWJRA-JOCHJYFZSA-N 1 0 458.647 3.579 20 0 JHADRO CCOCCOCc1cccc(CNC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001311435286 1069378175 /nfs/dbraw/zinc/37/81/75/1069378175.db2.gz LGCFOSBOLPETMZ-VPUSJEBWSA-N 1 0 451.611 3.903 20 0 JHADRO Cc1ccc(CSCCNC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)cc1 ZINC001311441370 1069381828 /nfs/dbraw/zinc/38/18/28/1069381828.db2.gz MAYFLJLLUMRAMF-UHFFFAOYSA-N 1 0 456.656 3.700 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001306661594 1069382511 /nfs/dbraw/zinc/38/25/11/1069382511.db2.gz SZHFBTPQRYPRAY-UHFFFAOYSA-N 1 0 482.677 3.522 20 0 JHADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCc1ccccc1OC(F)(F)F ZINC001311469477 1069392955 /nfs/dbraw/zinc/39/29/55/1069392955.db2.gz DCTJHAPNSFYLEX-UHFFFAOYSA-N 1 0 450.505 3.544 20 0 JHADRO COc1ccc(C(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccc(OC)cc2)cc1 ZINC001311477942 1069396656 /nfs/dbraw/zinc/39/66/56/1069396656.db2.gz IPRIRPGNMAYINV-DEOSSOPVSA-N 1 0 453.583 3.736 20 0 JHADRO CCOc1cccc(N2CCN(C(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)CC2)n1 ZINC001311491687 1069403588 /nfs/dbraw/zinc/40/35/88/1069403588.db2.gz BLDKOWLWYLGMOB-UHFFFAOYSA-N 1 0 451.615 3.744 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)NC(C)C)CC1 ZINC001306679126 1069403663 /nfs/dbraw/zinc/40/36/63/1069403663.db2.gz ONJDSSRPHRRKAY-UHFFFAOYSA-N 1 0 479.673 3.910 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001306677960 1069402616 /nfs/dbraw/zinc/40/26/16/1069402616.db2.gz GUGXSUMOKKHPOL-UHFFFAOYSA-N 1 0 477.657 3.652 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001306678463 1069403023 /nfs/dbraw/zinc/40/30/23/1069403023.db2.gz BVYRCJWDAGQSPS-UHFFFAOYSA-N 1 0 456.679 3.870 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001306679751 1069405961 /nfs/dbraw/zinc/40/59/61/1069405961.db2.gz SSCRPPKMULJIAE-XMMPIXPASA-N 1 0 469.659 3.653 20 0 JHADRO CN(C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001311496416 1069406251 /nfs/dbraw/zinc/40/62/51/1069406251.db2.gz MYVGHIAOKJREBF-JWQCQUIFSA-N 1 0 450.627 3.822 20 0 JHADRO CCc1cc(N2CCC[C@@H](NC(=O)NCc3ccccc3C[N@@H+]3CCCC[C@H]3C)C2)ncn1 ZINC001311496594 1069406348 /nfs/dbraw/zinc/40/63/48/1069406348.db2.gz XAEURSCATKKVEK-HYBUGGRVSA-N 1 0 450.631 3.882 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2F)CC1 ZINC001306680144 1069406574 /nfs/dbraw/zinc/40/65/74/1069406574.db2.gz PWODYJNWCUMZNG-UHFFFAOYSA-N 1 0 456.610 3.536 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001306680729 1069407590 /nfs/dbraw/zinc/40/75/90/1069407590.db2.gz ZYIUHVLNNQCINY-QFIPXVFZSA-N 1 0 454.663 3.614 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001306681701 1069411044 /nfs/dbraw/zinc/41/10/44/1069411044.db2.gz RUUVXAUPGXDAJK-QFIPXVFZSA-N 1 0 451.619 3.928 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001306681600 1069411072 /nfs/dbraw/zinc/41/10/72/1069411072.db2.gz PCCOHNAMVZQEGA-IBGZPJMESA-N 1 0 459.038 3.825 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001306681819 1069411735 /nfs/dbraw/zinc/41/17/35/1069411735.db2.gz VDLQTNQZHWFICY-FQEVSTJZSA-N 1 0 486.636 3.738 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001306681820 1069411967 /nfs/dbraw/zinc/41/19/67/1069411967.db2.gz VDLQTNQZHWFICY-HXUWFJFHSA-N 1 0 486.636 3.738 20 0 JHADRO C[C@@H]1CN(c2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cn2)CCO1 ZINC001311504570 1069412994 /nfs/dbraw/zinc/41/29/94/1069412994.db2.gz UQXKJWJESAFJCA-YZUZCNPQSA-N 1 0 451.615 3.501 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N(CCO)[C@H]3CCCc4ccccc43)cc2)C[C@H](C)O1 ZINC001311499177 1069408708 /nfs/dbraw/zinc/40/87/08/1069408708.db2.gz XZHHMXFUXDGCLA-UZINWLIJSA-N 1 0 451.611 3.877 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2nncn2C)CC1 ZINC001306681259 1069409811 /nfs/dbraw/zinc/40/98/11/1069409811.db2.gz UWPVTJDLIAXUJT-UHFFFAOYSA-N 1 0 457.026 3.724 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001306682323 1069413294 /nfs/dbraw/zinc/41/32/94/1069413294.db2.gz GVMVOEKQRRVZPG-UHFFFAOYSA-N 1 0 456.635 3.950 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001306682536 1069413369 /nfs/dbraw/zinc/41/33/69/1069413369.db2.gz HLOVKCZAQRRGLJ-LJQANCHMSA-N 1 0 462.520 3.993 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001306683653 1069417965 /nfs/dbraw/zinc/41/79/65/1069417965.db2.gz ZQPWHQZWIZWJKA-JPYJTQIMSA-N 1 0 492.462 3.824 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)NCC)CC1 ZINC001306683237 1069416033 /nfs/dbraw/zinc/41/60/33/1069416033.db2.gz WDHHTXHLBMJXPX-UHFFFAOYSA-N 1 0 482.460 3.835 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCSC2(CCOCC2)C1 ZINC001306683268 1069416042 /nfs/dbraw/zinc/41/60/42/1069416042.db2.gz QKDTUXDTZBZSJM-UHFFFAOYSA-N 1 0 459.660 3.788 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001306686396 1069422686 /nfs/dbraw/zinc/42/26/86/1069422686.db2.gz TZPVHUYYJVGHAL-IBGZPJMESA-N 1 0 478.041 3.743 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001306684416 1069419258 /nfs/dbraw/zinc/41/92/58/1069419258.db2.gz MTJCYJCUDRTURR-UHFFFAOYSA-N 1 0 479.604 3.564 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCSC(CC)(CC)C1 ZINC001306684253 1069419447 /nfs/dbraw/zinc/41/94/47/1069419447.db2.gz JGPHKKQGNGIDSA-UHFFFAOYSA-N 1 0 462.664 3.850 20 0 JHADRO CCCC[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001306685349 1069420626 /nfs/dbraw/zinc/42/06/26/1069420626.db2.gz BGUIUEAFSSWYEQ-QFIPXVFZSA-N 1 0 492.709 3.986 20 0 JHADRO CCCC[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001306685348 1069420871 /nfs/dbraw/zinc/42/08/71/1069420871.db2.gz BGUIUEAFSSWYEQ-JOCHJYFZSA-N 1 0 492.709 3.986 20 0 JHADRO CCCC[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(F)(F)C1 ZINC001306685659 1069421244 /nfs/dbraw/zinc/42/12/44/1069421244.db2.gz IIIRFIMXAOTFQW-UHFFFAOYSA-N 1 0 470.609 3.970 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCC1 ZINC001306686860 1069423367 /nfs/dbraw/zinc/42/33/67/1069423367.db2.gz YGQGGEOYEDPHJW-OAQYLSRUSA-N 1 0 478.682 3.945 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2ncccc2F)CC1 ZINC001306687366 1069423877 /nfs/dbraw/zinc/42/38/77/1069423877.db2.gz JGWXDWBLGRARPP-UHFFFAOYSA-N 1 0 465.621 3.770 20 0 JHADRO CC(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CC1 ZINC001311531298 1069425712 /nfs/dbraw/zinc/42/57/12/1069425712.db2.gz VRCDTMBYQUPHGW-UHFFFAOYSA-N 1 0 455.416 3.536 20 0 JHADRO CCC(CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(Br)cc1OC)[NH+]1CCOCC1 ZINC001311537173 1069429931 /nfs/dbraw/zinc/42/99/31/1069429931.db2.gz ZPEJEZTWKFEKIK-HNAYVOBHSA-N 1 0 456.425 3.955 20 0 JHADRO CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001306700113 1069435749 /nfs/dbraw/zinc/43/57/49/1069435749.db2.gz BHSBEARFALGRTL-IBGZPJMESA-N 1 0 461.680 3.515 20 0 JHADRO CC1CC[NH+]([C@H](CNC(=O)NCc2ccc(CN3CCNC3=O)cc2)c2cccs2)CC1 ZINC001311568040 1069441325 /nfs/dbraw/zinc/44/13/25/1069441325.db2.gz AESCBGRGOGHUTN-OAQYLSRUSA-N 1 0 455.628 3.546 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc(F)c1 ZINC001311573912 1069445294 /nfs/dbraw/zinc/44/52/94/1069445294.db2.gz UEFJFCJFGVMRLX-XLIONFOSSA-N 1 0 454.468 3.905 20 0 JHADRO CC[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001311577246 1069446318 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FMKSLOJXAKFGAH-WOJBJXKFSA-N 1 0 495.093 3.662 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001306722411 1069460422 /nfs/dbraw/zinc/46/04/22/1069460422.db2.gz KYDZHKCYOAGISK-AEFFLSMTSA-N 1 0 494.482 3.509 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001306723229 1069462938 /nfs/dbraw/zinc/46/29/38/1069462938.db2.gz PKONEJLQMGKKMP-FNZWTVRRSA-N 1 0 468.646 3.571 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001306723689 1069464036 /nfs/dbraw/zinc/46/40/36/1069464036.db2.gz ULCZJWZGVULVRQ-LZBANZJXSA-N 1 0 455.651 3.811 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001306725436 1069466395 /nfs/dbraw/zinc/46/63/95/1069466395.db2.gz DHQLIVCRRFQRKG-JOCHJYFZSA-N 1 0 494.688 3.522 20 0 JHADRO C[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311616010 1069468338 /nfs/dbraw/zinc/46/83/38/1069468338.db2.gz 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CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccco1 ZINC001306839612 1069653003 /nfs/dbraw/zinc/65/30/03/1069653003.db2.gz KZYLKTBOQOYKAV-BEFAXECRSA-N 1 0 452.532 3.516 20 0 JHADRO CN(CCN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001311993881 1069656141 /nfs/dbraw/zinc/65/61/41/1069656141.db2.gz MHCGBFVVDSGICZ-GOSISDBHSA-N 1 0 458.525 3.788 20 0 JHADRO CCOc1ccc(N2CCN(C(=O)NCC(CC)(CC)[NH2+][C@H](C)c3ccccc3)CC2)nn1 ZINC001311992938 1069655497 /nfs/dbraw/zinc/65/54/97/1069655497.db2.gz DPUYQBULWQQLIO-HXUWFJFHSA-N 1 0 454.619 3.617 20 0 JHADRO CCOc1cc(Cn2c(CC(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)ccc1OC ZINC001314163662 1069656475 /nfs/dbraw/zinc/65/64/75/1069656475.db2.gz GECKKLDDXYNPHZ-FQEVSTJZSA-N 1 0 471.646 3.622 20 0 JHADRO CC(C)CC(=O)N1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001311994371 1069656837 /nfs/dbraw/zinc/65/68/37/1069656837.db2.gz PPAWQQQQNIQIAU-FQEVSTJZSA-N 1 0 454.537 3.570 20 0 JHADRO CC(=O)N1CCC(N(Cc2cncs2)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001311995012 1069656955 /nfs/dbraw/zinc/65/69/55/1069656955.db2.gz MZFYZOHXZQUSBL-SFHVURJKSA-N 1 0 457.644 3.795 20 0 JHADRO CCC(CC)(CNC(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)[NH2+][C@@H](C)c1ccccc1 ZINC001311995453 1069657579 /nfs/dbraw/zinc/65/75/79/1069657579.db2.gz XDANIHIPGFJYKW-NZQKXSOJSA-N 1 0 451.615 3.781 20 0 JHADRO COc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1S(=O)(=O)NC1CCCC1 ZINC001306846318 1069657744 /nfs/dbraw/zinc/65/77/44/1069657744.db2.gz NHZUSFOIVGANMP-OAQYLSRUSA-N 1 0 457.596 3.717 20 0 JHADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 ZINC001311997506 1069658202 /nfs/dbraw/zinc/65/82/02/1069658202.db2.gz LVQMRBHNZYNWHY-HWHXTQLESA-N 1 0 480.657 3.633 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC001314166586 1069665967 /nfs/dbraw/zinc/66/59/67/1069665967.db2.gz NYZIHAXJIFOPMZ-NHCUHLMSSA-N 1 0 457.619 3.842 20 0 JHADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)NC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC001312014237 1069670873 /nfs/dbraw/zinc/67/08/73/1069670873.db2.gz WSIVIUTTZBVIPU-HXUWFJFHSA-N 1 0 453.986 3.513 20 0 JHADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001312017731 1069673537 /nfs/dbraw/zinc/67/35/37/1069673537.db2.gz LQADMFZIFKGEAJ-FQEVSTJZSA-N 1 0 459.432 3.844 20 0 JHADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)cc1 ZINC001306888697 1069674586 /nfs/dbraw/zinc/67/45/86/1069674586.db2.gz YWIRAJJTLHFKSD-FQEVSTJZSA-N 1 0 457.644 3.746 20 0 JHADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)NCC(C)(C)C2CCOCC2)CC1 ZINC001312023919 1069676964 /nfs/dbraw/zinc/67/69/64/1069676964.db2.gz DNNZNOCKTLQIEH-UHFFFAOYSA-N 1 0 456.553 3.709 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H]([C@@H]4CCOC4)C3)n2CC[N@H+](C)C(C)C)cc1OC ZINC001314170380 1069680417 /nfs/dbraw/zinc/68/04/17/1069680417.db2.gz NDFRAAMIBLMHAQ-NHCUHLMSSA-N 1 0 457.619 3.555 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC001314170061 1069678618 /nfs/dbraw/zinc/67/86/18/1069678618.db2.gz XZVIDVCCFSQUBS-FVJLSDCUSA-N 1 0 497.562 3.850 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2CC[N@H+](C)C(C)C)cc1OC ZINC001314170780 1069682422 /nfs/dbraw/zinc/68/24/22/1069682422.db2.gz UVFPROHBBMYAEQ-JOCHJYFZSA-N 1 0 471.646 3.946 20 0 JHADRO CN(Cc1ccco1)Cc1ccccc1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001312036271 1069686942 /nfs/dbraw/zinc/68/69/42/1069686942.db2.gz XNVQKPSFUPDEAN-UHFFFAOYSA-N 1 0 454.615 3.602 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H](C(C)C)C3)n2C[C@@H](C)N2CC[NH+](CC)CC2)cc1OC ZINC001314172423 1069689376 /nfs/dbraw/zinc/68/93/76/1069689376.db2.gz HOYWBPFWTVZFGN-GGAORHGYSA-N 1 0 484.689 3.861 20 0 JHADRO C[C@H]([NH2+]C1(CNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CCCC1)c1ccccc1 ZINC001306960237 1069689836 /nfs/dbraw/zinc/68/98/36/1069689836.db2.gz XBNVMRWPZFVQGO-KRWDZBQOSA-N 1 0 450.626 3.569 20 0 JHADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001312066199 1069702554 /nfs/dbraw/zinc/70/25/54/1069702554.db2.gz JLQKNCVRNUFNOY-RZFJZAQRSA-N 1 0 452.643 3.732 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2cccc3cccnc32)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001307004578 1069699807 /nfs/dbraw/zinc/69/98/07/1069699807.db2.gz FMRAWJYUSHTFHE-FQEVSTJZSA-N 1 0 463.630 3.672 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS(=O)CC1 ZINC001307005137 1069700312 /nfs/dbraw/zinc/70/03/12/1069700312.db2.gz OLKPYDYRWNRTSE-UHFFFAOYSA-N 1 0 454.644 3.574 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCCOCC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001314175518 1069702794 /nfs/dbraw/zinc/70/27/94/1069702794.db2.gz WQYVITUBRPQADE-HXUWFJFHSA-N 1 0 457.619 3.700 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCc2cccnc2)cc1OC ZINC001314175513 1069702206 /nfs/dbraw/zinc/70/22/06/1069702206.db2.gz HXKBKSQUORWRRM-UHFFFAOYSA-N 1 0 464.614 3.768 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@H]3CC)n2C[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC001314176648 1069707342 /nfs/dbraw/zinc/70/73/42/1069707342.db2.gz QQBZQJRWYZVRHC-PZJWPPBQSA-N 1 0 457.619 3.700 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1)c1cccc(C(F)(F)F)c1 ZINC001312074002 1069706864 /nfs/dbraw/zinc/70/68/64/1069706864.db2.gz NNTPWPVXXSIGNE-KRWDZBQOSA-N 1 0 450.440 3.732 20 0 JHADRO CCC[NH+](CCC)CCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001307010815 1069710396 /nfs/dbraw/zinc/71/03/96/1069710396.db2.gz YXVOQRXEDAAMPN-SFTDATJTSA-N 1 0 478.682 3.740 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NCCCOC2CCOCC2)cc1 ZINC001312081694 1069710995 /nfs/dbraw/zinc/71/09/95/1069710995.db2.gz MBDCGDZQBIJAIQ-IZZNHLLZSA-N 1 0 467.610 3.548 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001314179244 1069717947 /nfs/dbraw/zinc/71/79/47/1069717947.db2.gz UFIOERKZGRWCOO-MOPGFXCFSA-N 1 0 457.644 3.945 20 0 JHADRO CCCN(CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC001307013864 1069718889 /nfs/dbraw/zinc/71/88/89/1069718889.db2.gz RDMVKGRCXSCRRM-SFTDATJTSA-N 1 0 485.677 3.830 20 0 JHADRO CCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001307015632 1069722599 /nfs/dbraw/zinc/72/25/99/1069722599.db2.gz WZDJASKZTISXNZ-IBGZPJMESA-N 1 0 455.582 3.765 20 0 JHADRO CCOc1ccc(-c2nnc(Nc3ccn(C)n3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001314180430 1069722645 /nfs/dbraw/zinc/72/26/45/1069722645.db2.gz IHKHTLGVIAIYTC-HXUWFJFHSA-N 1 0 453.591 3.950 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC001314182125 1069727984 /nfs/dbraw/zinc/72/79/84/1069727984.db2.gz DRWJYOHEEQYWNU-UHFFFAOYSA-N 1 0 498.672 3.680 20 0 JHADRO CCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001307024297 1069731920 /nfs/dbraw/zinc/73/19/20/1069731920.db2.gz GHTFVSPPWZLSRU-UHFFFAOYSA-N 1 0 457.619 3.701 20 0 JHADRO CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001307019044 1069728475 /nfs/dbraw/zinc/72/84/75/1069728475.db2.gz BZBBPUDFCGXOSE-LEWJYISDSA-N 1 0 488.702 3.696 20 0 JHADRO CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)cc1OC ZINC001314184317 1069734644 /nfs/dbraw/zinc/73/46/44/1069734644.db2.gz BOUUUTGQCCUECL-UHFFFAOYSA-N 1 0 498.672 3.573 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC001307028996 1069735902 /nfs/dbraw/zinc/73/59/02/1069735902.db2.gz GDGJRMLXBOJHPK-NRFANRHFSA-N 1 0 482.673 3.799 20 0 JHADRO CCc1ccc([C@H](NC(=O)N[C@@H](CC)C[NH+]2CCCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001312130195 1069736778 /nfs/dbraw/zinc/73/67/78/1069736778.db2.gz KRYIMUVLJLHPIN-UPVQGACJSA-N 1 0 457.640 3.916 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)C1 ZINC001307029438 1069737010 /nfs/dbraw/zinc/73/70/10/1069737010.db2.gz LSNJTYGJNYJCFP-NWSQWKLXSA-N 1 0 468.646 3.740 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2CC[NH+](CCC)CC2)CC1=O ZINC001307030768 1069739293 /nfs/dbraw/zinc/73/92/93/1069739293.db2.gz DHKXZCDKXVCLLC-UHFFFAOYSA-N 1 0 498.672 3.533 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@@H](C)O[C@H](COC)C2)C1 ZINC001307031672 1069741266 /nfs/dbraw/zinc/74/12/66/1069741266.db2.gz MTMXNRDQESQMRM-HBFSDRIKSA-N 1 0 478.037 3.579 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)Cc2cnccn2)CC1 ZINC001307031303 1069741569 /nfs/dbraw/zinc/74/15/69/1069741569.db2.gz JGELFPYGZMTSAF-UHFFFAOYSA-N 1 0 465.602 3.511 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001307031768 1069742421 /nfs/dbraw/zinc/74/24/21/1069742421.db2.gz GIAYOSQWQJAUSJ-UWVAXJGDSA-N 1 0 462.436 3.647 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)CC(C)(C)C)CC1 ZINC001307032255 1069743861 /nfs/dbraw/zinc/74/38/61/1069743861.db2.gz BNDYPCZCWPOCFS-UHFFFAOYSA-N 1 0 490.718 3.800 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H](C(=O)OC)C2)C1 ZINC001307032536 1069744741 /nfs/dbraw/zinc/74/47/41/1069744741.db2.gz DHCCFKPUMCLWJZ-HKUYNNGSSA-N 1 0 477.556 3.668 20 0 JHADRO CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1OC ZINC001314188558 1069744838 /nfs/dbraw/zinc/74/48/38/1069744838.db2.gz JSEFMFAKBUQVCN-NRFANRHFSA-N 1 0 471.646 3.796 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCC(C(=O)OC)CC2)C1 ZINC001307032709 1069745336 /nfs/dbraw/zinc/74/53/36/1069745336.db2.gz KVLNBQQKVISRNB-QGZVFWFLSA-N 1 0 490.446 3.829 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001307032872 1069746275 /nfs/dbraw/zinc/74/62/75/1069746275.db2.gz YQKDLRQBWQZOSI-RTBURBONSA-N 1 0 457.619 3.698 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001307032924 1069747104 /nfs/dbraw/zinc/74/71/04/1069747104.db2.gz GGUGHKZPRPGCNB-AVRDEDQJSA-N 1 0 462.038 3.961 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C1 ZINC001307033312 1069747389 /nfs/dbraw/zinc/74/73/89/1069747389.db2.gz NKYAHSUOHFDZCK-RYLXDESZSA-N 1 0 474.477 3.754 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(NC(=O)COC)CC2)C1 ZINC001307033500 1069748452 /nfs/dbraw/zinc/74/84/52/1069748452.db2.gz MARZEUUITSFAJR-NRFANRHFSA-N 1 0 496.700 3.706 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001307033853 1069748764 /nfs/dbraw/zinc/74/87/64/1069748764.db2.gz MYWVYSNKEPXFLQ-WOJBJXKFSA-N 1 0 457.619 3.557 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCNC(=O)[C@@H]2CC)CC1 ZINC001307034190 1069749751 /nfs/dbraw/zinc/74/97/51/1069749751.db2.gz PXUGDTCYABJIMN-GCJKJVERSA-N 1 0 489.064 3.908 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C2CCC2)CC1 ZINC001307034045 1069749813 /nfs/dbraw/zinc/74/98/13/1069749813.db2.gz FKWBVOQPBZGQQJ-UHFFFAOYSA-N 1 0 459.038 3.972 20 0 JHADRO CN(CCC[NH+](C)C)CCNC(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001312152293 1069750266 /nfs/dbraw/zinc/75/02/66/1069750266.db2.gz KRHQXAISUSDOST-UHFFFAOYSA-N 1 0 453.469 3.834 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccn3C)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC001307035899 1069755518 /nfs/dbraw/zinc/75/55/18/1069755518.db2.gz XITWCNQUWULFAN-YADHBBJMSA-N 1 0 477.657 3.671 20 0 JHADRO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001312158771 1069756942 /nfs/dbraw/zinc/75/69/42/1069756942.db2.gz ZNDNEBZHKVQPSK-NHCUHLMSSA-N 1 0 450.599 3.950 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2C[C@](C)(O)CC)cc1 ZINC001314193299 1069760166 /nfs/dbraw/zinc/76/01/66/1069760166.db2.gz ZXINZPIYCBBFGC-PBQROFAYSA-N 1 0 457.619 3.651 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001307038178 1069760810 /nfs/dbraw/zinc/76/08/10/1069760810.db2.gz BJXWYZSCIQVFPA-GOSISDBHSA-N 1 0 477.600 3.714 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC)nnc2N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)CC1 ZINC001307038476 1069761737 /nfs/dbraw/zinc/76/17/37/1069761737.db2.gz FLQWXXNBIQUXBO-NRFANRHFSA-N 1 0 453.635 3.521 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001307038706 1069762226 /nfs/dbraw/zinc/76/22/26/1069762226.db2.gz LONLURATPFMJAP-HXUWFJFHSA-N 1 0 483.661 3.908 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001307039435 1069764443 /nfs/dbraw/zinc/76/44/43/1069764443.db2.gz AJNBPRSYFRPYEC-UMSFTDKQSA-N 1 0 480.682 3.760 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@H](C)[C@H]3CC)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001314194544 1069764736 /nfs/dbraw/zinc/76/47/36/1069764736.db2.gz SPVRKQCACLOFGI-DKYNXLSCSA-N 1 0 457.619 3.508 20 0 JHADRO CCCN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC[N@H+](CCC)C1 ZINC001307041666 1069769300 /nfs/dbraw/zinc/76/93/00/1069769300.db2.gz HCNXDKWTJYXXFJ-UWJYYQICSA-N 1 0 460.573 3.656 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCC(NC(=O)NC3CCCCC3)CC2)C1 ZINC001307039588 1069764954 /nfs/dbraw/zinc/76/49/54/1069764954.db2.gz YGCQCUIQDAYPSV-NRFANRHFSA-N 1 0 473.710 3.809 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001307040086 1069766006 /nfs/dbraw/zinc/76/60/06/1069766006.db2.gz VYBGHGHOAVSKKD-QFIPXVFZSA-N 1 0 497.688 3.563 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3F)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001307039980 1069766091 /nfs/dbraw/zinc/76/60/91/1069766091.db2.gz HYZHZIGZJUXUSM-UHFFFAOYSA-N 1 0 484.664 3.825 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001307040083 1069766155 /nfs/dbraw/zinc/76/61/55/1069766155.db2.gz VYBGHGHOAVSKKD-JOCHJYFZSA-N 1 0 497.688 3.563 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccn3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC001307040793 1069767798 /nfs/dbraw/zinc/76/77/98/1069767798.db2.gz XPIGPCHKOXOUFM-OAQYLSRUSA-N 1 0 481.689 3.839 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CC2CCOCC2)cc1 ZINC001314195130 1069768444 /nfs/dbraw/zinc/76/84/44/1069768444.db2.gz CBGCHYQPQYDTAD-FQEVSTJZSA-N 1 0 457.619 3.774 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001307041103 1069768518 /nfs/dbraw/zinc/76/85/18/1069768518.db2.gz FYONUDPFXJNONJ-RTBURBONSA-N 1 0 458.676 3.874 20 0 JHADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001312182610 1069769857 /nfs/dbraw/zinc/76/98/57/1069769857.db2.gz SDUCLIDDLPWYQV-SFHVURJKSA-N 1 0 458.569 3.616 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](COc3ccccc3)C2)C1 ZINC001307043167 1069774400 /nfs/dbraw/zinc/77/44/00/1069774400.db2.gz HLDJMDZZLCKWEA-GGAORHGYSA-N 1 0 455.647 3.883 20 0 JHADRO C[N@H+](CCNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)Cc1ccc(F)cc1 ZINC001312187304 1069771088 /nfs/dbraw/zinc/77/10/88/1069771088.db2.gz NCARKDDWRDEXGT-FQEVSTJZSA-N 1 0 450.599 3.982 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001307042425 1069772298 /nfs/dbraw/zinc/77/22/98/1069772298.db2.gz QHGYBJSDCNPNCA-QHCPKHFHSA-N 1 0 482.673 3.689 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC001307042618 1069772869 /nfs/dbraw/zinc/77/28/69/1069772869.db2.gz KLTLGVLSQUKOPB-RBUKOAKNSA-N 1 0 473.618 3.698 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001314196222 1069773587 /nfs/dbraw/zinc/77/35/87/1069773587.db2.gz ACKGYZMBWLQDFP-HAGHYFMRSA-N 1 0 457.619 3.913 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC3CCCC3)nnc2N(C)Cc2cccc(C(N)=O)c2)CC1 ZINC001307042928 1069773817 /nfs/dbraw/zinc/77/38/17/1069773817.db2.gz WSNUYRLUHQSILS-UHFFFAOYSA-N 1 0 452.647 3.868 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC001307043989 1069776821 /nfs/dbraw/zinc/77/68/21/1069776821.db2.gz NJTNRCZGSCMFGY-VXKWHMMOSA-N 1 0 490.693 3.645 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCC([C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC001307044633 1069778847 /nfs/dbraw/zinc/77/88/47/1069778847.db2.gz HMMORVFVIVVCNZ-CYFREDJKSA-N 1 0 459.610 3.636 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CCC(=O)NC)cc1 ZINC001314197197 1069779230 /nfs/dbraw/zinc/77/92/30/1069779230.db2.gz KLWDEDNQEIGAPQ-ATKRNPRHSA-N 1 0 498.672 3.654 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Br)s3)n2CC(=O)N(C)CC)CC1 ZINC001307045428 1069782580 /nfs/dbraw/zinc/78/25/80/1069782580.db2.gz IRGZIYLRJPLOMU-UHFFFAOYSA-N 1 0 483.480 3.558 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(=O)NC)C3)n2C[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001314198402 1069783397 /nfs/dbraw/zinc/78/33/97/1069783397.db2.gz PQKSFWQGZBFWAL-YPAWHYETSA-N 1 0 498.672 3.654 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N(C)Cc3cc(F)cc(F)c3)nnc2[C@]2(OCC)CCOC2)CC1 ZINC001307045077 1069780261 /nfs/dbraw/zinc/78/02/61/1069780261.db2.gz CSUPBVAFRQZMQV-VWLOTQADSA-N 1 0 477.600 3.967 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(C)COCCO2)CC1 ZINC001307044997 1069780312 /nfs/dbraw/zinc/78/03/12/1069780312.db2.gz CWPFDUOCUJTSHC-QHCPKHFHSA-N 1 0 466.001 3.854 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)OC(C)(C)C2)C1 ZINC001307045130 1069780751 /nfs/dbraw/zinc/78/07/51/1069780751.db2.gz DLKHGQVQCLRNOL-JSXRDJHFSA-N 1 0 490.693 3.784 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N3CCCN(c4nc(C)ns4)CC3)nnc2C(C)(C)C)CC1 ZINC001307046523 1069785570 /nfs/dbraw/zinc/78/55/70/1069785570.db2.gz LTVWKUQEXJECAD-UHFFFAOYSA-N 1 0 460.696 3.574 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2cnn(C)c2C)C1 ZINC001307046581 1069786025 /nfs/dbraw/zinc/78/60/25/1069786025.db2.gz QYMXIPINNHUYML-LJQANCHMSA-N 1 0 472.037 3.921 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(F)(F)C3)n2C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC001314199036 1069786668 /nfs/dbraw/zinc/78/66/68/1069786668.db2.gz RADFVFWYFHTEFI-VQTJNVASSA-N 1 0 492.615 3.688 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)C1 ZINC001307046844 1069786736 /nfs/dbraw/zinc/78/67/36/1069786736.db2.gz OQANMTARPHGNBS-IPMKNSEASA-N 1 0 487.611 3.822 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCC(S(=O)(=O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046763 1069786970 /nfs/dbraw/zinc/78/69/70/1069786970.db2.gz MIAJSLGSAWVNOZ-HXUWFJFHSA-N 1 0 473.687 3.750 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N3CCC[C@H](C(F)F)C3)nnc2[C@]2(OCC)CCOC2)CC1 ZINC001307047155 1069788339 /nfs/dbraw/zinc/78/83/39/1069788339.db2.gz QJSLANCQDZKTTD-CVDCTZTESA-N 1 0 455.594 3.534 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Br)o2)C1 ZINC001307047240 1069788452 /nfs/dbraw/zinc/78/84/52/1069788452.db2.gz RLGGGVDKABBDQF-DOTOQJQBSA-N 1 0 452.397 3.853 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@H](N4CC[NH+](CC)CC4)C3)n2CC(F)(F)F)cc1 ZINC001314199630 1069788589 /nfs/dbraw/zinc/78/85/89/1069788589.db2.gz RSZXYKPXLWZGAJ-RTBURBONSA-N 1 0 496.578 3.595 20 0 JHADRO COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC001312220066 1069791246 /nfs/dbraw/zinc/79/12/46/1069791246.db2.gz WXFOPVHZTYUTPD-KYTVRQNUSA-N 1 0 459.631 3.533 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)CC1 ZINC001307047811 1069791394 /nfs/dbraw/zinc/79/13/94/1069791394.db2.gz AMUWNUOTVCNFRX-UHFFFAOYSA-N 1 0 493.622 3.849 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001307048750 1069794768 /nfs/dbraw/zinc/79/47/68/1069794768.db2.gz FQBLNLFMOPXBAE-XMMPIXPASA-N 1 0 468.690 3.787 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2Cc2csc(COC)n2)CC1 ZINC001307048181 1069793376 /nfs/dbraw/zinc/79/33/76/1069793376.db2.gz PHWXLXJPZXFZJP-UHFFFAOYSA-N 1 0 472.634 3.970 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001307048802 1069794558 /nfs/dbraw/zinc/79/45/58/1069794558.db2.gz YYTUWPIHLCJMRH-RXFWQSSRSA-N 1 0 455.647 3.739 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CC(C)C)n2Cc2nc3cc(OC)ccc3n2C)CC1 ZINC001307048824 1069794604 /nfs/dbraw/zinc/79/46/04/1069794604.db2.gz ZHKLOIULQDZWAD-UHFFFAOYSA-N 1 0 453.635 3.731 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2C[C@@H]2CCCCO2)cc1 ZINC001314201990 1069799099 /nfs/dbraw/zinc/79/90/99/1069799099.db2.gz XMWXOOGADBPMKF-VIZSFHNOSA-N 1 0 457.619 3.916 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2CC[C@H]2CCOC2)CC1 ZINC001307050334 1069800172 /nfs/dbraw/zinc/80/01/72/1069800172.db2.gz QUHRRYGTFPJNHD-KRWDZBQOSA-N 1 0 479.467 3.783 20 0 JHADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC001312230195 1069795333 /nfs/dbraw/zinc/79/53/33/1069795333.db2.gz YXBVJZSRVKUHBZ-LEWJYISDSA-N 1 0 456.537 3.670 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(C)(C)C)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC001307049530 1069797410 /nfs/dbraw/zinc/79/74/10/1069797410.db2.gz NTNJSVWMUOYSGV-FQEVSTJZSA-N 1 0 452.647 3.939 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2Cc2c(Cl)cccc2OC)CC1 ZINC001307049562 1069798137 /nfs/dbraw/zinc/79/81/37/1069798137.db2.gz PBLGGRFOTGBVGA-UHFFFAOYSA-N 1 0 475.037 3.535 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccn3C)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001307050648 1069801408 /nfs/dbraw/zinc/80/14/08/1069801408.db2.gz YNXBJWMCPBVZNE-VWLOTQADSA-N 1 0 454.594 3.641 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@](C)(O)CC)CC1 ZINC001307051028 1069802331 /nfs/dbraw/zinc/80/23/31/1069802331.db2.gz JMDBWIMJAYPQMY-HSZRJFAPSA-N 1 0 450.027 3.982 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001307051299 1069803790 /nfs/dbraw/zinc/80/37/90/1069803790.db2.gz ZRHIFKYLBFXNCZ-OPAMFIHVSA-N 1 0 479.467 3.897 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001307051614 1069804146 /nfs/dbraw/zinc/80/41/46/1069804146.db2.gz QASLDNXSLMNKON-PKTZIBPZSA-N 1 0 452.647 3.750 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@H](OC)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001314202820 1069804368 /nfs/dbraw/zinc/80/43/68/1069804368.db2.gz VHQQDKNBVXJLIG-MIZPHKNDSA-N 1 0 457.619 3.774 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2ccc(F)cc2)CC1 ZINC001307051996 1069806577 /nfs/dbraw/zinc/80/65/77/1069806577.db2.gz PPLWXFWFUZWQSV-NRFANRHFSA-N 1 0 456.610 3.657 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001307052181 1069807652 /nfs/dbraw/zinc/80/76/52/1069807652.db2.gz RTWMPUOHFVVZIJ-UHFFFAOYSA-N 1 0 454.648 3.848 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCOCC3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001314203709 1069808505 /nfs/dbraw/zinc/80/85/05/1069808505.db2.gz RRSVQQURBDCABC-FQEVSTJZSA-N 1 0 457.619 3.775 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCOCC3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001314203710 1069808609 /nfs/dbraw/zinc/80/86/09/1069808609.db2.gz RRSVQQURBDCABC-HXUWFJFHSA-N 1 0 457.619 3.775 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001307052922 1069810321 /nfs/dbraw/zinc/81/03/21/1069810321.db2.gz ADNPCOXUYNXNGG-DEOSSOPVSA-N 1 0 452.647 3.831 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC(C(N)=O)CC1 ZINC001307053576 1069812604 /nfs/dbraw/zinc/81/26/04/1069812604.db2.gz DZJKMYCQFHJKHH-SFHVURJKSA-N 1 0 489.462 3.674 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CC)C1 ZINC001307054642 1069816582 /nfs/dbraw/zinc/81/65/82/1069816582.db2.gz KPFCCJYJTURJMN-UXHICEINSA-N 1 0 457.619 3.842 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CC)C1 ZINC001307054643 1069817537 /nfs/dbraw/zinc/81/75/37/1069817537.db2.gz KPFCCJYJTURJMN-VQTJNVASSA-N 1 0 457.619 3.842 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001307054856 1069818144 /nfs/dbraw/zinc/81/81/44/1069818144.db2.gz NPTYRRMNDCKSGV-WSTZPKSXSA-N 1 0 475.037 3.648 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)NC)CC1 ZINC001307055247 1069821691 /nfs/dbraw/zinc/82/16/91/1069821691.db2.gz OLYJYPZITSUUKB-HSZRJFAPSA-N 1 0 452.647 3.734 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001307055558 1069822633 /nfs/dbraw/zinc/82/26/33/1069822633.db2.gz QCXANSRAOWTJDC-QHCPKHFHSA-N 1 0 454.663 3.757 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001307055980 1069823901 /nfs/dbraw/zinc/82/39/01/1069823901.db2.gz RZGQONOJWNCMEO-YADHBBJMSA-N 1 0 498.672 3.531 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001307055148 1069820511 /nfs/dbraw/zinc/82/05/11/1069820511.db2.gz OTKFSIBNBDBTAK-UGKGYDQZSA-N 1 0 457.667 3.983 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307056558 1069828393 /nfs/dbraw/zinc/82/83/93/1069828393.db2.gz BDURIPDKFGALPV-RTWAWAEBSA-N 1 0 460.667 3.989 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N(CCO)Cc1cc(Br)ccc1F ZINC001307056612 1069828439 /nfs/dbraw/zinc/82/84/39/1069828439.db2.gz UVLQEFPZVLXUFN-LJQANCHMSA-N 1 0 468.415 3.752 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCN1CCOCC1 ZINC001307056687 1069827127 /nfs/dbraw/zinc/82/71/27/1069827127.db2.gz FCJLAHQIJBXXQT-HSZRJFAPSA-N 1 0 475.081 3.555 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001307056884 1069829186 /nfs/dbraw/zinc/82/91/86/1069829186.db2.gz CSJWTVNWMUIHPD-FPOVZHCZSA-N 1 0 489.690 3.613 20 0 JHADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N(Cc1cccc(Br)c1)CC1CC1 ZINC001312280904 1069835534 /nfs/dbraw/zinc/83/55/34/1069835534.db2.gz KAVYWLDARMOKBL-RTWAWAEBSA-N 1 0 450.421 3.749 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2)CC1 ZINC001307057780 1069836129 /nfs/dbraw/zinc/83/61/29/1069836129.db2.gz ZKQXSSWCAZHTGF-NFBKMPQASA-N 1 0 488.702 3.537 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307058730 1069840397 /nfs/dbraw/zinc/84/03/97/1069840397.db2.gz NFYCTNBEIWIAMD-RUZDIDTESA-N 1 0 466.674 3.823 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001307058825 1069840656 /nfs/dbraw/zinc/84/06/56/1069840656.db2.gz QLGFZGCTNWVKLY-NLWGTHIKSA-N 1 0 495.640 3.920 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCSC)CC1 ZINC001307058371 1069839056 /nfs/dbraw/zinc/83/90/56/1069839056.db2.gz ZUMNHBSINWDYJO-FQEVSTJZSA-N 1 0 496.722 3.650 20 0 JHADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)C1 ZINC001312287305 1069839400 /nfs/dbraw/zinc/83/94/00/1069839400.db2.gz ONJCIQOLSIJLTE-IBGZPJMESA-N 1 0 459.635 3.754 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(F)(F)F ZINC001307060063 1069847469 /nfs/dbraw/zinc/84/74/69/1069847469.db2.gz ZQEMOQJSOKPLMC-HNNXBMFYSA-N 1 0 458.554 3.533 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001307059707 1069845581 /nfs/dbraw/zinc/84/55/81/1069845581.db2.gz ZBZDSGWFMONBFH-TZIWHRDSSA-N 1 0 490.718 3.976 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1c(F)cccc1F ZINC001307059546 1069846103 /nfs/dbraw/zinc/84/61/03/1069846103.db2.gz UNUUSRXLIMLBAC-IBGZPJMESA-N 1 0 474.600 3.970 20 0 JHADRO CC(=O)N1CC[C@H](NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c2ccccc21 ZINC001312305260 1069849850 /nfs/dbraw/zinc/84/98/50/1069849850.db2.gz OXWNPODKVVCUCH-XXBNENTESA-N 1 0 450.583 3.684 20 0 JHADRO CCOc1ccccc1OCc1nnc(N(C)Cc2cnccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314216606 1069850045 /nfs/dbraw/zinc/85/00/45/1069850045.db2.gz SVJQHYOLYKTHEI-HSZRJFAPSA-N 1 0 479.629 3.803 20 0 JHADRO CCCN1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1=O ZINC001307061125 1069851609 /nfs/dbraw/zinc/85/16/09/1069851609.db2.gz HOFUFXQVOQDPDQ-OAQYLSRUSA-N 1 0 468.646 3.667 20 0 JHADRO C[C@@H]1C[C@H](CCNC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)C[N@@H+]1Cc1ccccc1 ZINC001312315465 1069858212 /nfs/dbraw/zinc/85/82/12/1069858212.db2.gz WEPRRLNGULEHJH-IZIIKQMZSA-N 1 0 452.574 3.873 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(CC)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001307064099 1069864609 /nfs/dbraw/zinc/86/46/09/1069864609.db2.gz JGUKHUZXOYQVCN-OAQYLSRUSA-N 1 0 452.647 3.688 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(CC)CCS(C)(=O)=O ZINC001307064009 1069864787 /nfs/dbraw/zinc/86/47/87/1069864787.db2.gz ZKGRMSCKZIOWHC-IBGZPJMESA-N 1 0 472.659 3.562 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1nccs1 ZINC001314220163 1069865612 /nfs/dbraw/zinc/86/56/12/1069865612.db2.gz HSHHNZKCVSFEBC-UHFFFAOYSA-N 1 0 456.616 3.727 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)C[NH+]2CCCCC2)CC1=O ZINC001307064422 1069866451 /nfs/dbraw/zinc/86/64/51/1069866451.db2.gz ONEPYYUXBLNHLC-OAQYLSRUSA-N 1 0 468.646 3.524 20 0 JHADRO CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC001312335782 1069871384 /nfs/dbraw/zinc/87/13/84/1069871384.db2.gz GMMJUUDUVFWJTA-NLFFAJNJSA-N 1 0 455.647 3.820 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@@H](c3noc(C(C)C)n3)C2)nnc1C(C)(C)C ZINC001307066849 1069876229 /nfs/dbraw/zinc/87/62/29/1069876229.db2.gz KTGGXKJFBSZYHR-RTBURBONSA-N 1 0 459.639 3.924 20 0 JHADRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312341965 1069874717 /nfs/dbraw/zinc/87/47/17/1069874717.db2.gz DZGBBIYWWKHWQO-XZOQPEGZSA-N 1 0 457.640 3.793 20 0 JHADRO CC1CC[NH+](C2CCC(NC(=O)NCCCS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001312353157 1069881372 /nfs/dbraw/zinc/88/13/72/1069881372.db2.gz RZKGLJQTIOOGTF-UHFFFAOYSA-N 1 0 456.052 3.846 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001314224693 1069886973 /nfs/dbraw/zinc/88/69/73/1069886973.db2.gz GEOORQOZOFVBDZ-JOCHJYFZSA-N 1 0 457.619 3.603 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001307070082 1069884017 /nfs/dbraw/zinc/88/40/17/1069884017.db2.gz WSOMQPDDQSVEKD-IBGZPJMESA-N 1 0 462.589 3.684 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001314224357 1069884753 /nfs/dbraw/zinc/88/47/53/1069884753.db2.gz BAQFLXZIGBHPSQ-TYBLODHISA-N 1 0 471.646 3.847 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001314225766 1069892094 /nfs/dbraw/zinc/89/20/94/1069892094.db2.gz NMBRMLOSAGOXFT-VSKRKVRLSA-N 1 0 471.646 3.727 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@@H](OC)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314226164 1069894242 /nfs/dbraw/zinc/89/42/42/1069894242.db2.gz QVRPVVUPENJOOZ-DENIHFKCSA-N 1 0 457.619 3.601 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001314226853 1069898323 /nfs/dbraw/zinc/89/83/23/1069898323.db2.gz IVOLAWFPRXJPSM-FYYLOGMGSA-N 1 0 498.672 3.577 20 0 JHADRO C[C@H](NC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312383142 1069899084 /nfs/dbraw/zinc/89/90/84/1069899084.db2.gz MVHYQTAHJAIVLF-IFXCNKOCSA-N 1 0 456.631 3.986 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ncccc1C ZINC001314226884 1069899263 /nfs/dbraw/zinc/89/92/63/1069899263.db2.gz JPRCWDJNYZZPEY-UHFFFAOYSA-N 1 0 450.587 3.538 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001314226856 1069899355 /nfs/dbraw/zinc/89/93/55/1069899355.db2.gz IVOLAWFPRXJPSM-GMAHTHKFSA-N 1 0 498.672 3.577 20 0 JHADRO C[C@H](NC(=O)N1CC(O)(c2cccc(Br)c2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312385543 1069900555 /nfs/dbraw/zinc/90/05/55/1069900555.db2.gz ZYKAQBRYEZYCHI-HKUYNNGSSA-N 1 0 458.400 3.573 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCOCC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314228239 1069906202 /nfs/dbraw/zinc/90/62/02/1069906202.db2.gz GTBZHXZUECGJJO-SFTDATJTSA-N 1 0 471.646 3.849 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCOC[C@H]2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314228775 1069908371 /nfs/dbraw/zinc/90/83/71/1069908371.db2.gz LWIYRGRJMKDBTF-QUCCMNQESA-N 1 0 471.627 3.845 20 0 JHADRO C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC001312413501 1069918824 /nfs/dbraw/zinc/91/88/24/1069918824.db2.gz IFZYODOALVVZIX-OAQYLSRUSA-N 1 0 454.468 3.821 20 0 JHADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCOc1cccc(C(F)(F)F)n1 ZINC001312416159 1069921460 /nfs/dbraw/zinc/92/14/60/1069921460.db2.gz PTDXUQURQAQPRZ-SFHVURJKSA-N 1 0 451.493 3.570 20 0 JHADRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001312419240 1069923775 /nfs/dbraw/zinc/92/37/75/1069923775.db2.gz SFQNLMDGMNPJMP-KWOQKUFVSA-N 1 0 455.624 3.847 20 0 JHADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001312425092 1069928007 /nfs/dbraw/zinc/92/80/07/1069928007.db2.gz GQAXLLIAHKZBBP-CABCVRRESA-N 1 0 450.299 3.725 20 0 JHADRO C[C@@H](NC(=O)NCCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1OC(F)F ZINC001312437769 1069936016 /nfs/dbraw/zinc/93/60/16/1069936016.db2.gz ZSXVXJOWOYBPNI-MRXNPFEDSA-N 1 0 450.505 3.782 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 ZINC001312454430 1069947673 /nfs/dbraw/zinc/94/76/73/1069947673.db2.gz BDTNSONLDCPRPU-ZWCUEREDSA-N 1 0 455.002 3.952 20 0 JHADRO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21 ZINC001312467213 1069955239 /nfs/dbraw/zinc/95/52/39/1069955239.db2.gz ZQBQQGYEVPXRGZ-GOSISDBHSA-N 1 0 454.409 3.853 20 0 JHADRO C[NH+](C)CC1(CNC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CCCC1 ZINC001312470619 1069957279 /nfs/dbraw/zinc/95/72/79/1069957279.db2.gz XARALRWVOONQQJ-FQEVSTJZSA-N 1 0 452.603 3.673 20 0 JHADRO CCO[C@H]1C[C@H](N(C)c2nnc(Cn3nc(C)cc3C)n2CC2(SC)CC[NH+](C)CC2)C1(C)C ZINC001314246389 1069962714 /nfs/dbraw/zinc/96/27/14/1069962714.db2.gz BBBURAAEWRJKMB-SFTDATJTSA-N 1 0 489.734 3.607 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2CCC(C)CC2)C1(C)C ZINC001314248809 1069972231 /nfs/dbraw/zinc/97/22/31/1069972231.db2.gz IPPODKXIMKBNJP-DHIUTWEWSA-N 1 0 471.694 3.902 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(CC(C)(C)C)n2C[C@H](C)N2CC[NH+](CC)CC2)C12CCC2 ZINC001314249410 1069974018 /nfs/dbraw/zinc/97/40/18/1069974018.db2.gz KPKRGQVPGGCXPF-BHDDXSALSA-N 1 0 460.711 3.677 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(CC(C)(C)C)n2C[C@@H](C)N2CC[NH+](CC)CC2)C12CCC2 ZINC001314249425 1069974143 /nfs/dbraw/zinc/97/41/43/1069974143.db2.gz KPKRGQVPGGCXPF-YPAWHYETSA-N 1 0 460.711 3.677 20 0 JHADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H]2CCc2ccccc2)ccc1Cl ZINC001307418228 1069975108 /nfs/dbraw/zinc/97/51/08/1069975108.db2.gz JRFVFELKNLWDEX-LJQANCHMSA-N 1 0 450.004 3.626 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1(C)C ZINC001314250633 1069977040 /nfs/dbraw/zinc/97/70/40/1069977040.db2.gz CETPIFVVGDYGSQ-LXHROKJGSA-N 1 0 474.694 3.627 20 0 JHADRO CC[C@H](OCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 ZINC001307424255 1069977719 /nfs/dbraw/zinc/97/77/19/1069977719.db2.gz KRXUSNBLMRKDMR-GOTSBHOMSA-N 1 0 459.631 3.946 20 0 JHADRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001307425808 1069978541 /nfs/dbraw/zinc/97/85/41/1069978541.db2.gz PADTVTROSFGMTE-MJGOQNOKSA-N 1 0 456.757 3.664 20 0 JHADRO COc1ccc(CN2CC[C@@H]([NH+]3CCC([C@@H]4CCCN4C(=O)OC(C)(C)C)CC3)C2=O)cc1 ZINC001307437927 1069984061 /nfs/dbraw/zinc/98/40/61/1069984061.db2.gz HSJOSMJCUMMCMF-XZOQPEGZSA-N 1 0 457.615 3.908 20 0 JHADRO CCO[C@H]1C[C@H](N(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1(C)C ZINC001314252909 1069984231 /nfs/dbraw/zinc/98/42/31/1069984231.db2.gz KBSNZMLVSDHJDJ-GOTSBHOMSA-N 1 0 484.689 3.793 20 0 JHADRO CCOC(=O)c1csc(CCNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC001312516108 1069984247 /nfs/dbraw/zinc/98/42/47/1069984247.db2.gz IDOSVGDLNLLBKG-UHFFFAOYSA-N 1 0 456.612 3.560 20 0 JHADRO CCOC1CC(O)(Cn2c([C@@H](C)CC)nnc2N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC001314253060 1069984834 /nfs/dbraw/zinc/98/48/34/1069984834.db2.gz MSJCMZDLOJXBQM-RTKOCUGESA-N 1 0 455.647 3.822 20 0 JHADRO C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001312518028 1069985688 /nfs/dbraw/zinc/98/56/88/1069985688.db2.gz SQAWUCASCAHNKM-PKTZIBPZSA-N 1 0 458.647 3.969 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1(C)C ZINC001314256332 1069991500 /nfs/dbraw/zinc/99/15/00/1069991500.db2.gz ODWDDGQEKOPFBZ-FGCOXFRFSA-N 1 0 486.680 3.674 20 0 JHADRO CCN(CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001307450749 1069991634 /nfs/dbraw/zinc/99/16/34/1069991634.db2.gz SEQWLVQLOZAINZ-HYBUGGRVSA-N 1 0 457.640 3.966 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC001307460450 1069997619 /nfs/dbraw/zinc/99/76/19/1069997619.db2.gz OKRDPWXLUZCCSH-FQEVSTJZSA-N 1 0 454.640 3.651 20 0 JHADRO COCCc1ccc(OC[C@@H](O)C[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC001307454281 1069994782 /nfs/dbraw/zinc/99/47/82/1069994782.db2.gz PASDTVWVCKZZOI-GBXCKJPGSA-N 1 0 458.986 3.717 20 0 JHADRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[NH+]2CCN(c3cc(OC)ccn3)CC2)cc1 ZINC001307461167 1069998456 /nfs/dbraw/zinc/99/84/56/1069998456.db2.gz JGIBKDSVYMLIAD-FQEVSTJZSA-N 1 0 456.587 3.529 20 0 JHADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 ZINC001307461954 1069999876 /nfs/dbraw/zinc/99/98/76/1069999876.db2.gz MQORLRWTOXOKND-YADARESESA-N 1 0 453.624 3.734 20 0 JHADRO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 ZINC001307464898 1070000579 /nfs/dbraw/zinc/00/05/79/1070000579.db2.gz LLMVLHGZGJORJT-HKUYNNGSSA-N 1 0 451.558 3.812 20 0 JHADRO CCC[N@H+](CCc1cccc(F)c1)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001307465596 1070001709 /nfs/dbraw/zinc/00/17/09/1070001709.db2.gz SHMWNIPWKGEFRY-UHFFFAOYSA-N 1 0 455.983 3.623 20 0 JHADRO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001312550618 1070007624 /nfs/dbraw/zinc/00/76/24/1070007624.db2.gz MABKYDLRAAUPHL-FQEVSTJZSA-N 1 0 455.416 3.708 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCCN(Cc2cscn2)CC1)c1cccc(C(F)(F)F)c1 ZINC001312552701 1070009188 /nfs/dbraw/zinc/00/91/88/1070009188.db2.gz OORZOHXXWMVKKJ-LJQANCHMSA-N 1 0 455.550 3.682 20 0 JHADRO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2cccc(C)c2)cc1S(=O)(=O)N(C)C ZINC001307482448 1070009293 /nfs/dbraw/zinc/00/92/93/1070009293.db2.gz GJPAZACIVFDVGE-OAQYLSRUSA-N 1 0 459.612 3.810 20 0 JHADRO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H]1CCCN(c3ccc(Br)c(C)c3)C1=O)CC2 ZINC001307490259 1070014943 /nfs/dbraw/zinc/01/49/43/1070014943.db2.gz MOMDHMPOPUSWGK-SLFFLAALSA-N 1 0 451.405 3.505 20 0 JHADRO C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001307491321 1070015287 /nfs/dbraw/zinc/01/52/87/1070015287.db2.gz UETONMMHFASNSA-UHFFFAOYSA-N 1 0 458.525 3.519 20 0 JHADRO COc1cc(-c2noc(CN3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)n2)cc(OC)c1OC ZINC001307501708 1070019998 /nfs/dbraw/zinc/01/99/98/1070019998.db2.gz OKJAESXPQHBCPT-SFHVURJKSA-N 1 0 452.555 3.859 20 0 JHADRO O=C(C[N@@H+]1CC[C@H](COCc2ccccc2)C1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001307499867 1070019360 /nfs/dbraw/zinc/01/93/60/1070019360.db2.gz KIUBGWVOKJLMJR-SFHVURJKSA-N 1 0 459.472 3.763 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314269759 1070022894 /nfs/dbraw/zinc/02/28/94/1070022894.db2.gz XANXTDGIZSVVLV-YPAWHYETSA-N 1 0 489.636 3.919 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[NH+]2CCCC2)C1 ZINC001314270582 1070024693 /nfs/dbraw/zinc/02/46/93/1070024693.db2.gz JIKJEUDBCYBMDC-GOSISDBHSA-N 1 0 478.435 3.817 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C[C@H]2C1 ZINC001312576301 1070024730 /nfs/dbraw/zinc/02/47/30/1070024730.db2.gz RQPBXKYOIPHIBJ-BHIFYINESA-N 1 0 456.631 3.795 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001314270917 1070024755 /nfs/dbraw/zinc/02/47/55/1070024755.db2.gz BHDKXMBKINFCQM-VIZSFHNOSA-N 1 0 457.619 3.772 20 0 JHADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1(OCCO)CCC(F)(F)CC1 ZINC001312577477 1070025167 /nfs/dbraw/zinc/02/51/67/1070025167.db2.gz XGSSAQWFXFYRHD-HXUWFJFHSA-N 1 0 453.574 3.543 20 0 JHADRO C[N@@H+]1CCN(CCNC(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)CC1(C)C ZINC001312580800 1070026365 /nfs/dbraw/zinc/02/63/65/1070026365.db2.gz FOONSAKUUFZGCG-LJQANCHMSA-N 1 0 456.553 3.593 20 0 JHADRO Cn1ncc(I)c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001307523240 1070032745 /nfs/dbraw/zinc/03/27/45/1070032745.db2.gz KMULNDYMAKWMDO-HKUYNNGSSA-N 1 0 450.368 3.511 20 0 JHADRO CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+](C(C)C)C1CCC1 ZINC001307528521 1070036822 /nfs/dbraw/zinc/03/68/22/1070036822.db2.gz HRGLJGJXDVNAPF-UHFFFAOYSA-N 1 0 451.633 3.850 20 0 JHADRO COc1ccc2c(c1)C[N@@H+](CC(=O)NCCCN1CCCCCC1=O)[C@@H](C1CCCCC1)C2 ZINC001307527408 1070035529 /nfs/dbraw/zinc/03/55/29/1070035529.db2.gz JDANURSFXQLJDL-RUZDIDTESA-N 1 0 455.643 3.911 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001314277441 1070037737 /nfs/dbraw/zinc/03/77/37/1070037737.db2.gz TZPYZGPOIMUVOO-YPAWHYETSA-N 1 0 490.693 3.882 20 0 JHADRO COc1ccc(NC(=O)C2([NH2+]CC(=O)N(CC(C)C)CC(F)(F)F)CCCC2)cc1OC ZINC001307549502 1070047513 /nfs/dbraw/zinc/04/75/13/1070047513.db2.gz CFZWIEWRVCEYIK-UHFFFAOYSA-N 1 0 459.509 3.592 20 0 JHADRO CC(C)(C)c1ccc(CCNC(=O)C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC001307549513 1070047667 /nfs/dbraw/zinc/04/76/67/1070047667.db2.gz CODWONJYJDCTAE-UHFFFAOYSA-N 1 0 455.668 3.775 20 0 JHADRO Cc1c(F)cccc1NC(=O)CC[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC001307559132 1070051978 /nfs/dbraw/zinc/05/19/78/1070051978.db2.gz VTPOSHLOARSQPP-UHFFFAOYSA-N 1 0 457.575 3.825 20 0 JHADRO C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)NCCCOc1ccccc1F ZINC001307551146 1070048459 /nfs/dbraw/zinc/04/84/59/1070048459.db2.gz DRVLTFOLDWXQFT-MHECFPHRSA-N 1 0 451.583 3.774 20 0 JHADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC001312630680 1070053257 /nfs/dbraw/zinc/05/32/57/1070053257.db2.gz WVDYKECKFLIXEE-CVEARBPZSA-N 1 0 455.384 3.738 20 0 JHADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC001312633780 1070055261 /nfs/dbraw/zinc/05/52/61/1070055261.db2.gz RNSNPPIICCSMNN-RCDYEMGKSA-N 1 0 462.557 3.594 20 0 JHADRO C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC001307569348 1070056478 /nfs/dbraw/zinc/05/64/78/1070056478.db2.gz RKCKPHIVLAEZBE-QGZVFWFLSA-N 1 0 454.011 3.741 20 0 JHADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC001307584481 1070064015 /nfs/dbraw/zinc/06/40/15/1070064015.db2.gz SPWRRQKXAVDZSI-MSJJPKLJSA-N 1 0 453.608 3.570 20 0 JHADRO CCCCC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001307580701 1070062895 /nfs/dbraw/zinc/06/28/95/1070062895.db2.gz FUVXBFGQAPPXFC-HSZRJFAPSA-N 1 0 457.640 3.717 20 0 JHADRO C[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)[C@@H](C)C[N@@H+]1C ZINC001307590871 1070069699 /nfs/dbraw/zinc/06/96/99/1070069699.db2.gz YGRZUWMVHLGIBA-VVBPWWLESA-N 1 0 459.516 3.812 20 0 JHADRO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001307588628 1070067956 /nfs/dbraw/zinc/06/79/56/1070067956.db2.gz YTHOZVPOTNKKRD-UFPGJGBJSA-N 1 0 450.627 3.550 20 0 JHADRO CCC[N@H+](C)[C@H](CNC(=O)N1CCC(C(N)=O)(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001312675383 1070075949 /nfs/dbraw/zinc/07/59/49/1070075949.db2.gz UAGWBUDSGKIHBM-JOCHJYFZSA-N 1 0 457.018 3.952 20 0 JHADRO CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC001312673170 1070074479 /nfs/dbraw/zinc/07/44/79/1070074479.db2.gz YODXZCCFLHWGHJ-KRWDZBQOSA-N 1 0 452.020 3.968 20 0 JHADRO CCC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001307607687 1070079391 /nfs/dbraw/zinc/07/93/91/1070079391.db2.gz MSCONHRZSNEYQZ-ATIYNZHBSA-N 1 0 450.627 3.837 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]21 ZINC001307604066 1070077170 /nfs/dbraw/zinc/07/71/70/1070077170.db2.gz RWGMHAAYCQYTQU-HMXCVIKNSA-N 1 0 457.619 3.636 20 0 JHADRO CCOCc1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001314294723 1070078204 /nfs/dbraw/zinc/07/82/04/1070078204.db2.gz YBVYMVJVQZVEAG-KRWDZBQOSA-N 1 0 451.562 3.526 20 0 JHADRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1cccc(I)c1 ZINC001307612262 1070081716 /nfs/dbraw/zinc/08/17/16/1070081716.db2.gz HZHDITKXACUSBV-KXBFYZLASA-N 1 0 450.320 3.987 20 0 JHADRO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)c1ccc(F)cc1F ZINC001307613638 1070082340 /nfs/dbraw/zinc/08/23/40/1070082340.db2.gz QOYCWCMAFKTSAU-RUZDIDTESA-N 1 0 457.565 3.921 20 0 JHADRO CCOCc1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314299897 1070083630 /nfs/dbraw/zinc/08/36/30/1070083630.db2.gz ZYXHEALMIPOLNI-ROUUACIJSA-N 1 0 492.615 3.924 20 0 JHADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001312702199 1070086440 /nfs/dbraw/zinc/08/64/40/1070086440.db2.gz UURODKZWTIXDPQ-SIKLNZKXSA-N 1 0 451.640 3.905 20 0 JHADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)c1ccc(-n2cccn2)cc1 ZINC001307626856 1070087829 /nfs/dbraw/zinc/08/78/29/1070087829.db2.gz ODTXBXDTQCOKBR-CABCVRRESA-N 1 0 457.456 3.916 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)N3CCC(Oc4ccccc4)CC3)CC2)cc1 ZINC001312714713 1070091222 /nfs/dbraw/zinc/09/12/22/1070091222.db2.gz BRKVZSMCRKHRRD-UHFFFAOYSA-N 1 0 450.583 3.862 20 0 JHADRO COc1ccccc1C1(NC(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)CCC1 ZINC001312716444 1070092289 /nfs/dbraw/zinc/09/22/89/1070092289.db2.gz QGAMGBCGVYVHGZ-UHFFFAOYSA-N 1 0 450.583 3.997 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)N3CC[C@@H](Cc4nc(C)cs4)C3)CC2)cc1 ZINC001312718117 1070092634 /nfs/dbraw/zinc/09/26/34/1070092634.db2.gz CAHALCZPGWCLBJ-FQEVSTJZSA-N 1 0 455.628 3.649 20 0 JHADRO COc1ccc([C@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)nc1 ZINC001312718156 1070092657 /nfs/dbraw/zinc/09/26/57/1070092657.db2.gz CBSOETXEXHPXTH-XMMPIXPASA-N 1 0 451.571 3.560 20 0 JHADRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001307638193 1070094281 /nfs/dbraw/zinc/09/42/81/1070094281.db2.gz YYFQMHLEKAYZFM-HOTGVXAUSA-N 1 0 451.539 3.817 20 0 JHADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC001307639052 1070094628 /nfs/dbraw/zinc/09/46/28/1070094628.db2.gz XDEAVADMPLFTHR-IERDGZPVSA-N 1 0 450.004 3.827 20 0 JHADRO CCOCc1nnc(N(CC)C[C@H]2COc3ccccc3O2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314316267 1070101494 /nfs/dbraw/zinc/10/14/94/1070101494.db2.gz UHDQRJFPNYOCEY-RTWAWAEBSA-N 1 0 457.619 3.601 20 0 JHADRO C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1=O ZINC001312755886 1070106034 /nfs/dbraw/zinc/10/60/34/1070106034.db2.gz COPNDFPQBDQXMN-VEXUSMLFSA-N 1 0 452.574 3.794 20 0 JHADRO CCN(CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307656716 1070106280 /nfs/dbraw/zinc/10/62/80/1070106280.db2.gz FTZVAWZIEPEJBP-ZEQRLZLVSA-N 1 0 451.611 3.964 20 0 JHADRO COc1cc(C)c([C@H](C)NC(=O)CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001307657051 1070106325 /nfs/dbraw/zinc/10/63/25/1070106325.db2.gz GRWIXLXPCMBOGY-ACRUOGEOSA-N 1 0 453.627 3.936 20 0 JHADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001307658286 1070107315 /nfs/dbraw/zinc/10/73/15/1070107315.db2.gz MBMPATTTXMGCRW-MRXNPFEDSA-N 1 0 458.603 3.769 20 0 JHADRO COc1cc(NC(=O)C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)cc(OC)c1OC ZINC001307677796 1070120524 /nfs/dbraw/zinc/12/05/24/1070120524.db2.gz CBNHEECXFZYOAW-UHFFFAOYSA-N 1 0 457.449 3.512 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC001312793145 1070123490 /nfs/dbraw/zinc/12/34/90/1070123490.db2.gz NJSXGHJRXMYYTE-ZILOHOTNSA-N 1 0 455.599 3.910 20 0 JHADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC001307691560 1070129213 /nfs/dbraw/zinc/12/92/13/1070129213.db2.gz GQFQKLPJUQFETB-OAHLLOKOSA-N 1 0 452.315 3.721 20 0 JHADRO CSC1(CNC(=O)N(C[C@@H](O)COc2cccc3ccccc32)C(C)C)CC[NH+](C)CC1 ZINC001312799598 1070129914 /nfs/dbraw/zinc/12/99/14/1070129914.db2.gz GHZQBLVSNSMZSQ-OAQYLSRUSA-N 1 0 459.656 3.827 20 0 JHADRO CCOCc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314332318 1070126255 /nfs/dbraw/zinc/12/62/55/1070126255.db2.gz ZEXMASCAVMAJKP-UHFFFAOYSA-N 1 0 478.682 3.963 20 0 JHADRO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)cc1F ZINC001312797874 1070127554 /nfs/dbraw/zinc/12/75/54/1070127554.db2.gz JCNWMYMIBSOYGY-KSSFIOAISA-N 1 0 450.352 3.715 20 0 JHADRO CCOCc1nnc(N2CCC(c3cccc(OC)c3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314337318 1070132517 /nfs/dbraw/zinc/13/25/17/1070132517.db2.gz ITECHXBTBKTXRR-NHCUHLMSSA-N 1 0 471.646 3.707 20 0 JHADRO CCOCc1nnc(N2CCC(c3ccnn3C)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314337732 1070134081 /nfs/dbraw/zinc/13/40/81/1070134081.db2.gz FOSKGBVHGNAJCN-SFTDATJTSA-N 1 0 457.667 3.690 20 0 JHADRO O=C(C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001307704175 1070135797 /nfs/dbraw/zinc/13/57/97/1070135797.db2.gz AZNVUENXIHNXER-CZUORRHYSA-N 1 0 452.304 3.657 20 0 JHADRO Cc1cc(C2CC[NH+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC2)ccc1Br ZINC001307703914 1070135825 /nfs/dbraw/zinc/13/58/25/1070135825.db2.gz CEVHQHUETOHFLG-GFCCVEGCSA-N 1 0 450.299 3.714 20 0 JHADRO CCOCc1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001314343008 1070145775 /nfs/dbraw/zinc/14/57/75/1070145775.db2.gz PYLVOFWNXXHHEW-UHFFFAOYSA-N 1 0 457.667 3.667 20 0 JHADRO Cc1ccoc1C(=O)NCCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312840492 1070149808 /nfs/dbraw/zinc/14/98/08/1070149808.db2.gz URUMUDKZFVVBHX-BJKOFHAPSA-N 1 0 478.568 3.814 20 0 JHADRO CCOCCO[C@H]1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC001312840670 1070149969 /nfs/dbraw/zinc/14/99/69/1070149969.db2.gz VZJFJYHPZIHVAS-CCDWMCETSA-N 1 0 455.574 3.631 20 0 JHADRO CCOCc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1CC[NH+]1CCCCCC1 ZINC001314346613 1070152790 /nfs/dbraw/zinc/15/27/90/1070152790.db2.gz TUSQNMJSRJPINS-UHFFFAOYSA-N 1 0 469.556 3.747 20 0 JHADRO CN(CCOc1ccccc1F)C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC001307728469 1070152899 /nfs/dbraw/zinc/15/28/99/1070152899.db2.gz CDWAPZXLMYFJED-UHFFFAOYSA-N 1 0 454.464 3.977 20 0 JHADRO COc1ccc(CN2CCN(C(=O)C[NH2+][C@@H](C)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001307738674 1070159642 /nfs/dbraw/zinc/15/96/42/1070159642.db2.gz LUKCNXWVBMLNJZ-KRWDZBQOSA-N 1 0 451.489 3.589 20 0 JHADRO CCOCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001314349798 1070165118 /nfs/dbraw/zinc/16/51/18/1070165118.db2.gz PROZUYIRHSQGND-FQEVSTJZSA-N 1 0 486.661 3.829 20 0 JHADRO CCOCc1nnc(N2CCC(O)(c3ccccc3Cl)CC2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001314349698 1070165176 /nfs/dbraw/zinc/16/51/76/1070165176.db2.gz PPBXISSRAZFLAH-LJQANCHMSA-N 1 0 462.038 3.830 20 0 JHADRO COCC[NH+](CCOC)C1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC001307750832 1070165681 /nfs/dbraw/zinc/16/56/81/1070165681.db2.gz XBFUSHDBPHBUGV-UHFFFAOYSA-N 1 0 452.393 3.663 20 0 JHADRO O=C(C[N@H+](Cc1ccccc1C(F)(F)F)CC1CC1)N1CCC(C(=O)N2CCCC2)CC1 ZINC001307763175 1070172567 /nfs/dbraw/zinc/17/25/67/1070172567.db2.gz OYZBEIZAKXOBFJ-UHFFFAOYSA-N 1 0 451.533 3.778 20 0 JHADRO CCOC(=O)c1cnn(C2CC[NH+](CCOc3cc(F)cc(Br)c3)CC2)c1C ZINC001307757199 1070169379 /nfs/dbraw/zinc/16/93/79/1070169379.db2.gz SEDWVVLYKLLPIW-UHFFFAOYSA-N 1 0 454.340 3.986 20 0 JHADRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCNC(=O)CCCc1ccccc1 ZINC001312902404 1070172403 /nfs/dbraw/zinc/17/24/03/1070172403.db2.gz ZFIROZJGNSRDPB-RUZDIDTESA-N 1 0 450.627 3.678 20 0 JHADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC001307768642 1070175933 /nfs/dbraw/zinc/17/59/33/1070175933.db2.gz SYOIMMXMNYHERG-AVGNSLFASA-N 1 0 452.304 3.513 20 0 JHADRO CC(C)C1CCC([NH+]2CCN(C(=O)NCC3(C(=O)OC(C)(C)C)CCOCC3)CC2)CC1 ZINC001312909170 1070175969 /nfs/dbraw/zinc/17/59/69/1070175969.db2.gz GYXSFCAEULDWEZ-UHFFFAOYSA-N 1 0 451.652 3.667 20 0 JHADRO Cc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)cc1S(=O)(=O)N(C)C ZINC001307774129 1070177706 /nfs/dbraw/zinc/17/77/06/1070177706.db2.gz POQQGPCPOADHDD-NRFANRHFSA-N 1 0 453.967 3.717 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@H+](CCCON3C(=O)c4ccccc4C3=O)C2)C1 ZINC001307772854 1070177201 /nfs/dbraw/zinc/17/72/01/1070177201.db2.gz JLMJYMSGFYTVMO-MOPGFXCFSA-N 1 0 457.571 3.573 20 0 JHADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)N[C@@H]3CCO[C@@H](c4cccnc4)C3)CC2)c1C ZINC001312904152 1070174003 /nfs/dbraw/zinc/17/40/03/1070174003.db2.gz YTDWTVNEICEHQF-ZJSXRUAMSA-N 1 0 467.614 3.628 20 0 JHADRO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@@H]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC001307774212 1070178680 /nfs/dbraw/zinc/17/86/80/1070178680.db2.gz SOGNGNWAPBCGED-BHIFYINESA-N 1 0 456.631 3.983 20 0 JHADRO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001307786999 1070181876 /nfs/dbraw/zinc/18/18/76/1070181876.db2.gz OWNSTFWAIZRTRD-INIZCTEOSA-N 1 0 454.377 3.842 20 0 JHADRO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001307787000 1070181956 /nfs/dbraw/zinc/18/19/56/1070181956.db2.gz OWNSTFWAIZRTRD-MRXNPFEDSA-N 1 0 454.377 3.842 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001314359905 1070182997 /nfs/dbraw/zinc/18/29/97/1070182997.db2.gz GKKLJRSXXQKJNM-HXUWFJFHSA-N 1 0 481.563 3.598 20 0 JHADRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001307800224 1070188084 /nfs/dbraw/zinc/18/80/84/1070188084.db2.gz TYDBZRGJMSKHSO-QZTJIDSGSA-N 1 0 450.539 3.838 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)C1 ZINC001307791297 1070183772 /nfs/dbraw/zinc/18/37/72/1070183772.db2.gz FDVLOBMSODYINP-QHCPKHFHSA-N 1 0 456.986 3.922 20 0 JHADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c(OC)c1 ZINC001307795046 1070185441 /nfs/dbraw/zinc/18/54/41/1070185441.db2.gz XFBPBEVOUGUANX-QHCPKHFHSA-N 1 0 456.558 3.888 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001314362267 1070186656 /nfs/dbraw/zinc/18/66/56/1070186656.db2.gz XDQNNXJIAFTDCL-IBGZPJMESA-N 1 0 451.537 3.693 20 0 JHADRO Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)CCc3cccc(Br)c3)CC2)cc1 ZINC001307802358 1070189700 /nfs/dbraw/zinc/18/97/00/1070189700.db2.gz QUGRAKMHYSMOAL-UHFFFAOYSA-N 1 0 458.444 3.966 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CC1(SC)CCOCC1 ZINC001314363930 1070191103 /nfs/dbraw/zinc/19/11/03/1070191103.db2.gz FFNQXOSJIMXIEU-RTWAWAEBSA-N 1 0 465.708 3.818 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC001307805538 1070191540 /nfs/dbraw/zinc/19/15/40/1070191540.db2.gz XGWCJMZMKQFAME-NQIIRXRSSA-N 1 0 452.617 3.580 20 0 JHADRO O=C1[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2)CCCN1c1ccc(OC(F)F)cc1 ZINC001307806716 1070192424 /nfs/dbraw/zinc/19/24/24/1070192424.db2.gz DYGWAAJSEJLLAL-ZWKOTPCHSA-N 1 0 455.299 3.869 20 0 JHADRO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)n(-c2nc(C)cc(C)n2)n1 ZINC001307811240 1070194202 /nfs/dbraw/zinc/19/42/02/1070194202.db2.gz OIPFVRFZPASEOY-LOSJGSFVSA-N 1 0 456.550 3.591 20 0 JHADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001312956430 1070198094 /nfs/dbraw/zinc/19/80/94/1070198094.db2.gz APRBUGKVEGEWJF-SQJMNOBHSA-N 1 0 459.631 3.571 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314365353 1070195103 /nfs/dbraw/zinc/19/51/03/1070195103.db2.gz KEFQJFPWUFNRKV-ZRCGQRJVSA-N 1 0 459.610 3.900 20 0 JHADRO C[N@H+](CCn1cc(Br)cn1)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC001307817645 1070197720 /nfs/dbraw/zinc/19/77/20/1070197720.db2.gz BPPNOBWULJCZNN-HNNXBMFYSA-N 1 0 451.590 3.901 20 0 JHADRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC001307820312 1070200395 /nfs/dbraw/zinc/20/03/95/1070200395.db2.gz ULRJMGHKZRYLSJ-ZDUSSCGKSA-N 1 0 453.345 3.771 20 0 JHADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC001307824162 1070201015 /nfs/dbraw/zinc/20/10/15/1070201015.db2.gz UKBMSMMTSCWTBO-OALUTQOASA-N 1 0 454.409 3.989 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314367666 1070201294 /nfs/dbraw/zinc/20/12/94/1070201294.db2.gz KKWDFPZVMJIDQE-SFHVURJKSA-N 1 0 483.583 3.993 20 0 JHADRO CN(C[C@H](O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(=O)OC(C)(C)C ZINC001307832147 1070204894 /nfs/dbraw/zinc/20/48/94/1070204894.db2.gz JFZLNZIHKRMTSR-TZRRMPRUSA-N 1 0 457.590 3.611 20 0 JHADRO O=C(CCC1CCCCC1)N1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001312972493 1070205158 /nfs/dbraw/zinc/20/51/58/1070205158.db2.gz ZKBHUYZQNMZRLY-UHFFFAOYSA-N 1 0 455.647 3.508 20 0 JHADRO COc1ccc([C@@H](O)C[N@H+](CCN2C(=O)c3ccccc3C2=O)[C@H](C)Cc2ccccc2)cc1 ZINC001307843288 1070208672 /nfs/dbraw/zinc/20/86/72/1070208672.db2.gz LRWOTIVHBDKVDS-IBVKSMDESA-N 1 0 458.558 3.958 20 0 JHADRO NC(=O)[C@H]([NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1ccc(Br)cc1 ZINC001307837463 1070206657 /nfs/dbraw/zinc/20/66/57/1070206657.db2.gz VWLSIHIWDQBBTD-RCCFBDPRSA-N 1 0 456.306 3.595 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(C(=O)CC[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)CC1 ZINC001307840384 1070208149 /nfs/dbraw/zinc/20/81/49/1070208149.db2.gz BNFFURGQTUDDJP-QHCPKHFHSA-N 1 0 459.631 3.730 20 0 JHADRO COc1ccc([C@@H](O)C[N@H+](CCn2cnc(Br)n2)[C@@H](C)Cc2ccccc2)cc1 ZINC001307846311 1070209509 /nfs/dbraw/zinc/20/95/09/1070209509.db2.gz VIOIIMNVNIJQSB-UWJYYQICSA-N 1 0 459.388 3.716 20 0 JHADRO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@@H](CC)[C@@H]1CC1(C)C ZINC001307854325 1070212010 /nfs/dbraw/zinc/21/20/10/1070212010.db2.gz YTPFVJDEGSAYSZ-OALUTQOASA-N 1 0 451.633 3.613 20 0 JHADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001312990110 1070212568 /nfs/dbraw/zinc/21/25/68/1070212568.db2.gz LKOFBEKZOYRXSE-CIQXWFTPSA-N 1 0 462.610 3.900 20 0 JHADRO CCN(CCC[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1)CC(F)(F)F ZINC001307860363 1070214108 /nfs/dbraw/zinc/21/41/08/1070214108.db2.gz LDTBGLQMNNQWTI-DLBZAZTESA-N 1 0 451.327 3.912 20 0 JHADRO CCOCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314376192 1070216518 /nfs/dbraw/zinc/21/65/18/1070216518.db2.gz LRYGWMYSCGAZOY-VWLOTQADSA-N 1 0 496.700 3.607 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001313007970 1070219222 /nfs/dbraw/zinc/21/92/22/1070219222.db2.gz OWFVHBACFRKZEW-RBBKRZOGSA-N 1 0 458.603 3.964 20 0 JHADRO CCOCc1nnc(N2CCC[C@H]2c2cnn(C)c2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001314379969 1070223338 /nfs/dbraw/zinc/22/33/38/1070223338.db2.gz SOOLKSYTUHZCCR-QHCPKHFHSA-N 1 0 451.619 3.778 20 0 JHADRO CCN(C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001313018602 1070223476 /nfs/dbraw/zinc/22/34/76/1070223476.db2.gz UJIJGBVBHCLVIQ-RPWUZVMVSA-N 1 0 457.018 3.851 20 0 JHADRO CC1([NH+]2CCOCC2)CCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC001313024136 1070224829 /nfs/dbraw/zinc/22/48/29/1070224829.db2.gz IGEKOCBWQBDGTG-UHFFFAOYSA-N 1 0 450.421 3.668 20 0 JHADRO CCC[C@@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[N@@H+]1CCOC ZINC001313024737 1070225208 /nfs/dbraw/zinc/22/52/08/1070225208.db2.gz RNHMNOJLCHPLQL-HXUWFJFHSA-N 1 0 452.437 3.914 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001313034449 1070228416 /nfs/dbraw/zinc/22/84/16/1070228416.db2.gz AISCCOXYLJRPDZ-HXUWFJFHSA-N 1 0 454.656 3.556 20 0 JHADRO COc1ccc(CN2CC[C@@H]2CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC001313040779 1070232030 /nfs/dbraw/zinc/23/20/30/1070232030.db2.gz UUKCCPRHVUKXGF-RUZDIDTESA-N 1 0 450.627 3.823 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3nnc(-c4cccc(O)c4)o3)C2)C1 ZINC001307905515 1070233495 /nfs/dbraw/zinc/23/34/95/1070233495.db2.gz RMLUVMTWAMVONI-NSHGMRRFSA-N 1 0 458.559 3.727 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@H](O)CC2(O)CCCCC2)cc1 ZINC001307918096 1070240045 /nfs/dbraw/zinc/24/00/45/1070240045.db2.gz BODYTQMFGBXIJQ-PUHATCMVSA-N 1 0 462.631 3.824 20 0 JHADRO CC1([NH+]2CCCC2)CCC(NC(=O)NCCc2ccc(I)cc2)CC1 ZINC001313070449 1070240552 /nfs/dbraw/zinc/24/05/52/1070240552.db2.gz NXDDCMURCZQJSQ-UHFFFAOYSA-N 1 0 455.384 3.930 20 0 JHADRO CCOCc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001314389373 1070241861 /nfs/dbraw/zinc/24/18/61/1070241861.db2.gz XVZPFDGXHMYEQZ-OAHLLOKOSA-N 1 0 474.959 3.764 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001314389915 1070242676 /nfs/dbraw/zinc/24/26/76/1070242676.db2.gz GGCBZUONUUZNGV-UHFFFAOYSA-N 1 0 496.578 3.900 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001314390597 1070244873 /nfs/dbraw/zinc/24/48/73/1070244873.db2.gz MJSNIMWPGJIIKD-LEWJYISDSA-N 1 0 458.626 3.933 20 0 JHADRO CCOCc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001314392432 1070248441 /nfs/dbraw/zinc/24/84/41/1070248441.db2.gz YOVSEWXKDQDDEG-FQEVSTJZSA-N 1 0 476.616 3.787 20 0 JHADRO CCCCCC[C@](O)(C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C(=O)OC ZINC001307926545 1070245507 /nfs/dbraw/zinc/24/55/07/1070245507.db2.gz VAYGZSJSFSZNHM-KBMXLJTQSA-N 1 0 455.231 3.689 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001314398598 1070258928 /nfs/dbraw/zinc/25/89/28/1070258928.db2.gz JTDHXXHKDOWZFK-QHCPKHFHSA-N 1 0 498.672 3.539 20 0 JHADRO CCOCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001314398566 1070258954 /nfs/dbraw/zinc/25/89/54/1070258954.db2.gz MLSJZTKAXMDBKJ-OALUTQOASA-N 1 0 479.044 3.650 20 0 JHADRO CCOCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001314399572 1070259302 /nfs/dbraw/zinc/25/93/02/1070259302.db2.gz YZUKWUDQNUISTG-FDFHNCONSA-N 1 0 472.653 3.752 20 0 JHADRO COC(=O)c1oc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1C ZINC001313131734 1070262179 /nfs/dbraw/zinc/26/21/79/1070262179.db2.gz AUDSUCUURJZSDF-BJKOFHAPSA-N 1 0 477.561 3.851 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001314401225 1070262597 /nfs/dbraw/zinc/26/25/97/1070262597.db2.gz RFPLGSBPLRGKMS-GOSISDBHSA-N 1 0 464.010 3.598 20 0 JHADRO CCOCc1nnc(N2CCO[C@](C)(CC)C2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001314403462 1070265919 /nfs/dbraw/zinc/26/59/19/1070265919.db2.gz UOUYHMKLXMQBCH-JOCHJYFZSA-N 1 0 451.681 3.572 20 0 JHADRO CN(C)C[C@H]([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC001307982691 1070268593 /nfs/dbraw/zinc/26/85/93/1070268593.db2.gz MLAOSXQNGQBMDM-NRFANRHFSA-N 1 0 453.389 3.674 20 0 JHADRO C[NH+](C)C[C@H](NCc1nnnn1-c1ccc(OC(F)F)cc1)c1ccc(Cl)c(Cl)c1 ZINC001307984222 1070269970 /nfs/dbraw/zinc/26/99/70/1070269970.db2.gz YGQJLACNVJXQAS-KRWDZBQOSA-N 1 0 457.312 3.963 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001314410314 1070276123 /nfs/dbraw/zinc/27/61/23/1070276123.db2.gz YJNFAJKPTHVPJD-SIKLNZKXSA-N 1 0 478.037 3.547 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CC[NH+]1CCCCC1 ZINC001314410603 1070276889 /nfs/dbraw/zinc/27/68/89/1070276889.db2.gz ZYEFRHHRDBNGDE-HXUWFJFHSA-N 1 0 451.974 3.671 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CC[NH+]1CCCCC1 ZINC001314410602 1070276966 /nfs/dbraw/zinc/27/69/66/1070276966.db2.gz ZYEFRHHRDBNGDE-FQEVSTJZSA-N 1 0 451.974 3.671 20 0 JHADRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCN[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC001308013771 1070279711 /nfs/dbraw/zinc/27/97/11/1070279711.db2.gz PBNISZLUGNZGHL-XUZZJYLKSA-N 1 0 455.599 3.959 20 0 JHADRO CCOc1ccc(NC(=O)CC[N@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001308013632 1070280224 /nfs/dbraw/zinc/28/02/24/1070280224.db2.gz MPBLFPHGRKZFFS-OALUTQOASA-N 1 0 456.587 3.595 20 0 JHADRO CCOCc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001314414973 1070280510 /nfs/dbraw/zinc/28/05/10/1070280510.db2.gz VUASZXTYRIQLQD-FKBYEOEOSA-N 1 0 490.693 3.915 20 0 JHADRO C[C@@H](CNC(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC001313172999 1070280605 /nfs/dbraw/zinc/28/06/05/1070280605.db2.gz IBKJHKPHIJEELV-NZQKXSOJSA-N 1 0 457.640 3.890 20 0 JHADRO Cc1ccccc1CN1CCO[C@@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC001313175160 1070281114 /nfs/dbraw/zinc/28/11/14/1070281114.db2.gz FYPXMUQBWHZGHD-SANMLTNESA-N 1 0 450.627 3.502 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)C2)C1 ZINC001308032616 1070287098 /nfs/dbraw/zinc/28/70/98/1070287098.db2.gz CAGCNBBSYZPLQW-JZJXAQOMSA-N 1 0 458.521 3.527 20 0 JHADRO CCCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001308022992 1070283884 /nfs/dbraw/zinc/28/38/84/1070283884.db2.gz UKMXXTHAEXIAFJ-FYYLOGMGSA-N 1 0 459.631 3.951 20 0 JHADRO CCOC(=O)C1=C(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001308027552 1070284736 /nfs/dbraw/zinc/28/47/36/1070284736.db2.gz JMUWGHUMTNZDCT-IIDMSEBBSA-N 1 0 457.880 3.998 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001314420580 1070292190 /nfs/dbraw/zinc/29/21/90/1070292190.db2.gz OQXFPFGECREQQB-WOJBJXKFSA-N 1 0 462.038 3.820 20 0 JHADRO O=C(C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC001308065380 1070299747 /nfs/dbraw/zinc/29/97/47/1070299747.db2.gz NEYAHMDXLDZARW-OAQYLSRUSA-N 1 0 455.908 3.914 20 0 JHADRO CSc1ccc(OC[C@H](O)C[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)cc1 ZINC001308065531 1070300270 /nfs/dbraw/zinc/30/02/70/1070300270.db2.gz IVSVWIXDIXPFQJ-GOSISDBHSA-N 1 0 458.559 3.687 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001314429787 1070312221 /nfs/dbraw/zinc/31/22/21/1070312221.db2.gz IDEKORZCQNEWJY-KHCICDEESA-N 1 0 477.650 3.857 20 0 JHADRO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001308112046 1070317747 /nfs/dbraw/zinc/31/77/47/1070317747.db2.gz ZHEBIPOKAMXGKU-KRWDZBQOSA-N 1 0 454.011 3.865 20 0 JHADRO COC(=O)c1cnc(CNC(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)s1 ZINC001313296892 1070319750 /nfs/dbraw/zinc/31/97/50/1070319750.db2.gz CZPDRJVRLQLLIH-UHFFFAOYSA-N 1 0 452.580 3.774 20 0 JHADRO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC001308119500 1070319777 /nfs/dbraw/zinc/31/97/77/1070319777.db2.gz CVMZWWLJCDFFNE-CEXWTWQISA-N 1 0 474.520 3.601 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC001314435601 1070321846 /nfs/dbraw/zinc/32/18/46/1070321846.db2.gz HADZZZUXZXXGSQ-QHCPKHFHSA-N 1 0 469.674 3.735 20 0 JHADRO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@@H+]3CC(C)(C)[C@H]4CCC[C@H]43)C2=O)cc1 ZINC001308134118 1070325333 /nfs/dbraw/zinc/32/53/33/1070325333.db2.gz AMWHWRZILIGDCR-MHTIRGBASA-N 1 0 471.623 3.748 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001314439034 1070326423 /nfs/dbraw/zinc/32/64/23/1070326423.db2.gz ZBKZQPZVCJVJJA-SFHVURJKSA-N 1 0 492.462 3.681 20 0 JHADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC001313320513 1070327211 /nfs/dbraw/zinc/32/72/11/1070327211.db2.gz YPKZEERSUOEHJS-YWZLYKJASA-N 1 0 450.546 3.690 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001314441082 1070330096 /nfs/dbraw/zinc/33/00/96/1070330096.db2.gz VIIRDGBAHYILDQ-MQSCRBSSSA-N 1 0 454.663 3.883 20 0 JHADRO O=S1(=O)CCC[C@@H]2CN(CCC[NH+]3CCC(Cc4ccccc4)CC3)C[C@]21C(F)(F)F ZINC001308166972 1070333451 /nfs/dbraw/zinc/33/34/51/1070333451.db2.gz YYKMABUYNPKRNK-FGZHOGPDSA-N 1 0 458.590 3.773 20 0 JHADRO COc1cc([C@H](C)[NH2+]CC[S@](=O)c2cc(Cl)ccc2Cl)ccc1S(C)(=O)=O ZINC001308168761 1070333840 /nfs/dbraw/zinc/33/38/40/1070333840.db2.gz UTFSIFJPFRGJJH-QDXKXIGTSA-N 1 0 450.409 3.864 20 0 JHADRO COC(=O)c1ccc(C)c2c1CCCN2CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001308155498 1070331243 /nfs/dbraw/zinc/33/12/43/1070331243.db2.gz DVTOODRBJMUVQD-UHFFFAOYSA-N 1 0 453.608 3.722 20 0 JHADRO CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001313341942 1070332421 /nfs/dbraw/zinc/33/24/21/1070332421.db2.gz UAQJBRVHKXNOCQ-HSZRJFAPSA-N 1 0 457.594 3.823 20 0 JHADRO CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001313341945 1070332642 /nfs/dbraw/zinc/33/26/42/1070332642.db2.gz UAQJBRVHKXNOCQ-QHCPKHFHSA-N 1 0 457.594 3.823 20 0 JHADRO COc1ccc(OCc2nc(C[NH2+]C[C@H](c3cccs3)N3CCN(C)CC3)cs2)cc1 ZINC001308182676 1070338519 /nfs/dbraw/zinc/33/85/19/1070338519.db2.gz RQUPCZQIQJGUPD-OAQYLSRUSA-N 1 0 458.653 3.871 20 0 JHADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)NCc3cnn(CC4CCC4)c3)CC2)c1C ZINC001313355101 1070336402 /nfs/dbraw/zinc/33/64/02/1070336402.db2.gz YUUUUZLTZGCEOR-UHFFFAOYSA-N 1 0 454.619 3.510 20 0 JHADRO CC[N@H+](C)[C@H]1CCN(CC(=O)N[C@@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC001308177029 1070337142 /nfs/dbraw/zinc/33/71/42/1070337142.db2.gz PFSQZQRQNWSOFP-AVRDEDQJSA-N 1 0 459.516 3.813 20 0 JHADRO COc1cc(Br)c(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)c(OC)c1 ZINC001308180882 1070337489 /nfs/dbraw/zinc/33/74/89/1070337489.db2.gz RRCDTDYXGRPFTC-FQEVSTJZSA-N 1 0 453.352 3.769 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001313366389 1070338125 /nfs/dbraw/zinc/33/81/25/1070338125.db2.gz LUIVTAVTJZXAGN-KMDXXIMOSA-N 1 0 450.583 3.575 20 0 JHADRO Fc1ccc(N2CCN(CC[NH2+]Cc3c[nH]nc3-c3ccc(Br)cc3)CC2)cc1 ZINC001308198526 1070339417 /nfs/dbraw/zinc/33/94/17/1070339417.db2.gz VWNZODYSXWYPQI-UHFFFAOYSA-N 1 0 458.379 3.890 20 0 JHADRO CCc1cc(N2CCC[C@H]([NH2+][C@H]3CCOC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2)ncn1 ZINC001308250410 1070346399 /nfs/dbraw/zinc/34/63/99/1070346399.db2.gz RORRYRRQDMOCHM-SFTDATJTSA-N 1 0 459.635 3.546 20 0 JHADRO COc1ccc(S(=O)(=O)N2CCC(C[NH2+]Cc3cc4c(cccc4C)[nH]3)CC2)cc1OC ZINC001308268847 1070348150 /nfs/dbraw/zinc/34/81/50/1070348150.db2.gz ORUFFYWPXTVKQB-UHFFFAOYSA-N 1 0 457.596 3.684 20 0 JHADRO CN(C)[C@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1c(F)cccc1F ZINC001308273743 1070350117 /nfs/dbraw/zinc/35/01/17/1070350117.db2.gz KETGSISRZCEVHN-OAQYLSRUSA-N 1 0 453.961 3.722 20 0 JHADRO COCO[C@@H](C)c1cc(F)c(CNC2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC001308278069 1070350349 /nfs/dbraw/zinc/35/03/49/1070350349.db2.gz XMVAZGXJTPEKPM-JKSUJKDBSA-N 1 0 459.400 3.860 20 0 JHADRO COc1cc(Cl)ccc1NC(=O)COc1ccc(C[NH2+][C@H](C)c2cnn(C)c2)cc1OC ZINC001308283161 1070351196 /nfs/dbraw/zinc/35/11/96/1070351196.db2.gz SOMNRBOHRSNXDW-OAHLLOKOSA-N 1 0 458.946 3.959 20 0 JHADRO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](c2nccn2C)c2ccc(F)c(F)c2)c1 ZINC001313418239 1070353425 /nfs/dbraw/zinc/35/34/25/1070353425.db2.gz IOJCPHMKGDLCCT-JOCHJYFZSA-N 1 0 457.525 3.570 20 0 JHADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC001308299039 1070353470 /nfs/dbraw/zinc/35/34/70/1070353470.db2.gz BXFUKBMURBFODX-BBRMVZONSA-N 1 0 453.381 3.947 20 0 JHADRO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC001308325281 1070357033 /nfs/dbraw/zinc/35/70/33/1070357033.db2.gz YXVDQMMDGSJCLY-UHFFFAOYSA-N 1 0 451.036 3.754 20 0 JHADRO Clc1ncc(Br)cc1CNc1ccc2[nH]c(CCN3CCOCC3)[nH+]c2c1 ZINC001308316534 1070355746 /nfs/dbraw/zinc/35/57/46/1070355746.db2.gz FJFODFVTHXIVHI-UHFFFAOYSA-N 1 0 450.768 3.861 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+][C@H](CC(N)=O)c1ccccc1Cl)CCO2 ZINC001308351527 1070360031 /nfs/dbraw/zinc/36/00/31/1070360031.db2.gz VATWCEXMWWRWNE-VQIMIIECSA-N 1 0 451.995 3.795 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001313446784 1070364331 /nfs/dbraw/zinc/36/43/31/1070364331.db2.gz FQGZURABWVCIEX-CUWPLCDZSA-N 1 0 479.572 3.661 20 0 JHADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC001308356213 1070360869 /nfs/dbraw/zinc/36/08/69/1070360869.db2.gz IEDQCPDLAGOXRU-BIENJYKASA-N 1 0 453.352 3.703 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001313446213 1070361689 /nfs/dbraw/zinc/36/16/89/1070361689.db2.gz AABYQTORXDSJCD-ZVDOUQERSA-N 1 0 459.660 3.848 20 0 JHADRO OC[C@@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)Cc1ccc(Br)cc1 ZINC001308369762 1070362336 /nfs/dbraw/zinc/36/23/36/1070362336.db2.gz RRXBTPJVGRDVEJ-CQSZACIVSA-N 1 0 453.178 3.800 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001313447135 1070365132 /nfs/dbraw/zinc/36/51/32/1070365132.db2.gz IZGACEXNGOESBJ-VXKWHMMOSA-N 1 0 498.672 3.858 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001313447081 1070365612 /nfs/dbraw/zinc/36/56/12/1070365612.db2.gz IHSDYDMCOUYRIC-FQEVSTJZSA-N 1 0 478.563 3.714 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001313446927 1070365693 /nfs/dbraw/zinc/36/56/93/1070365693.db2.gz IBHRYXMKNSCZLC-IBGZPJMESA-N 1 0 498.569 3.851 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C[C@H]1CCCO1 ZINC001313447033 1070365725 /nfs/dbraw/zinc/36/57/25/1070365725.db2.gz HJGHMSYQUNSVKS-ZWKOTPCHSA-N 1 0 465.440 3.915 20 0 JHADRO Ic1ccc(CN2CCC[C@@H]2C[NH2+]Cc2ccc3nccnc3c2)cc1 ZINC001308385508 1070366002 /nfs/dbraw/zinc/36/60/02/1070366002.db2.gz NMXJDFZTYSJSJM-LJQANCHMSA-N 1 0 458.347 3.989 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1cnn(C)c1 ZINC001313448010 1070369815 /nfs/dbraw/zinc/36/98/15/1070369815.db2.gz NWWOVNWIGIHUIY-IBGZPJMESA-N 1 0 489.466 3.681 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC(N)=O ZINC001313448325 1070370457 /nfs/dbraw/zinc/37/04/57/1070370457.db2.gz POXJJIOKQLHCJQ-HKUYNNGSSA-N 1 0 458.676 3.850 20 0 JHADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC001308404445 1070371025 /nfs/dbraw/zinc/37/10/25/1070371025.db2.gz XORJTFITNAWJBC-KRWDZBQOSA-N 1 0 458.356 3.981 20 0 JHADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1Cl ZINC001308433598 1070374686 /nfs/dbraw/zinc/37/46/86/1070374686.db2.gz YISDBYKWWWXSBG-JTHBVZDNSA-N 1 0 474.001 3.884 20 0 JHADRO CCOc1c(OC)cc(C[NH2+]Cc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cc1OC ZINC001308404993 1070371106 /nfs/dbraw/zinc/37/11/06/1070371106.db2.gz KTXVNTNBZRVTOH-VWLOTQADSA-N 1 0 453.539 3.617 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001314464767 1070374825 /nfs/dbraw/zinc/37/48/25/1070374825.db2.gz NNAJLSUJFHDURN-IBGZPJMESA-N 1 0 467.456 3.639 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[NH2+]CCc2cccc(C(F)(F)F)n2)C1 ZINC001308417101 1070372862 /nfs/dbraw/zinc/37/28/62/1070372862.db2.gz NVZJABGOXFUPDC-MRXNPFEDSA-N 1 0 454.497 3.596 20 0 JHADRO C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC001308422305 1070373801 /nfs/dbraw/zinc/37/38/01/1070373801.db2.gz PVEAFDYOCHIOQJ-UHFFFAOYSA-N 1 0 450.406 3.916 20 0 JHADRO NC(=O)C1CC[NH+](Cc2ccc(CNCc3csc(COc4ccccc4)n3)cc2)CC1 ZINC001308436328 1070375611 /nfs/dbraw/zinc/37/56/11/1070375611.db2.gz LMSKQPZRAYQFFM-UHFFFAOYSA-N 1 0 450.608 3.709 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CC)C1 ZINC001313450091 1070376530 /nfs/dbraw/zinc/37/65/30/1070376530.db2.gz IWPWHYMXKLNLQT-ACRUOGEOSA-N 1 0 476.666 3.697 20 0 JHADRO COc1cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)ccc1OCCOc1ccccc1Cl ZINC001308456602 1070377892 /nfs/dbraw/zinc/37/78/92/1070377892.db2.gz JYRZQPKNQSOCEH-AEFFLSMTSA-N 1 0 453.988 3.862 20 0 JHADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)cc1 ZINC001308493272 1070381806 /nfs/dbraw/zinc/38/18/06/1070381806.db2.gz UJVADAXHOZNPCE-UHFFFAOYSA-N 1 0 453.395 3.728 20 0 JHADRO COc1cc(C[NH2+]C[C@]2(C)OCCc3ccccc32)cc(I)c1OC ZINC001308502700 1070382491 /nfs/dbraw/zinc/38/24/91/1070382491.db2.gz YGGUUGXRFKRGST-FQEVSTJZSA-N 1 0 453.320 3.886 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COCC)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001313453104 1070384623 /nfs/dbraw/zinc/38/46/23/1070384623.db2.gz OVONEUJBDHRMBS-NRFANRHFSA-N 1 0 489.734 3.765 20 0 JHADRO CCOc1cc(C[NH2+]CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1O[C@H](C)C(=O)N(C)C ZINC001308518717 1070384636 /nfs/dbraw/zinc/38/46/36/1070384636.db2.gz KFCVIAXZULJZPR-SFHLNBCPSA-N 1 0 477.646 3.924 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Nc2ccn(C)n2)nnc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313453869 1070387339 /nfs/dbraw/zinc/38/73/39/1070387339.db2.gz XMPIAEIPAYJPSC-IBGZPJMESA-N 1 0 472.638 3.744 20 0 JHADRO O=C(COc1ccccc1C[NH2+]C[C@](O)(c1ccccc1Cl)C(F)(F)F)NCC1CC1 ZINC001308558984 1070389201 /nfs/dbraw/zinc/38/92/01/1070389201.db2.gz UZLFAJJVMRBYHR-NRFANRHFSA-N 1 0 456.892 3.785 20 0 JHADRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC001308563271 1070389734 /nfs/dbraw/zinc/38/97/34/1070389734.db2.gz WSIVIHNAAWEADZ-MJGOQNOKSA-N 1 0 452.437 3.803 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[N@@H+]2CC[C@H](COCc3ccccc3)C2)C1 ZINC001308565805 1070391130 /nfs/dbraw/zinc/39/11/30/1070391130.db2.gz YMBJBXVNTUVSHZ-FCHUYYIVSA-N 1 0 455.603 3.889 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC001313458009 1070400753 /nfs/dbraw/zinc/40/07/53/1070400753.db2.gz RCXWMKPHBFSQGN-OAQYLSRUSA-N 1 0 467.662 3.670 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@H]1CC ZINC001314494541 1070409914 /nfs/dbraw/zinc/40/99/14/1070409914.db2.gz RLRUJSKUSPZQTC-YKSBVNFPSA-N 1 0 497.606 3.963 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2[C@H]2C[C@H](c3cccc(F)c3)C2)C[C@@H]1CC ZINC001314494669 1070411019 /nfs/dbraw/zinc/41/10/19/1070411019.db2.gz WHQDYEXEYKHJSH-PMVMPFDFSA-N 1 0 486.636 3.611 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)C(C)C)C1 ZINC001313459652 1070407432 /nfs/dbraw/zinc/40/74/32/1070407432.db2.gz PFZNDVNNRWQHBZ-LJQANCHMSA-N 1 0 491.478 3.790 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(Br)n2)C[C@H]1CC ZINC001314494114 1070409228 /nfs/dbraw/zinc/40/92/28/1070409228.db2.gz NEBPCUDSUUNGJS-GOSISDBHSA-N 1 0 479.467 3.719 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)cnn1C ZINC001308668575 1070414186 /nfs/dbraw/zinc/41/41/86/1070414186.db2.gz KJSIUNMBBTYLJG-UCFCWBNQSA-N 1 0 455.647 3.522 20 0 JHADRO CCOC(=O)Cn1cc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2cccnc2)n1 ZINC001308670391 1070415037 /nfs/dbraw/zinc/41/50/37/1070415037.db2.gz OLBWAERVBOJCLW-XZOQPEGZSA-N 1 0 452.530 3.999 20 0 JHADRO CCOC(=O)Cn1cc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2cccnc2)n1 ZINC001308670388 1070415071 /nfs/dbraw/zinc/41/50/71/1070415071.db2.gz OLBWAERVBOJCLW-DHIUTWEWSA-N 1 0 452.530 3.999 20 0 JHADRO COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H]3CCCC[C@H]3c3cc(F)c(F)c(F)c3)C2)cc1 ZINC001308671151 1070415097 /nfs/dbraw/zinc/41/50/97/1070415097.db2.gz VUESACBXDGZAJV-GHTZIAJQSA-N 1 0 454.514 3.801 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)cc2)C[C@H]1CC ZINC001314495820 1070415395 /nfs/dbraw/zinc/41/53/95/1070415395.db2.gz LBCUWSPKESHKMT-JOCHJYFZSA-N 1 0 452.578 3.773 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CC(C)(C)O)C[C@@H]1CC ZINC001314496639 1070417831 /nfs/dbraw/zinc/41/78/31/1070417831.db2.gz LOSQYWYXZITJHW-FQEVSTJZSA-N 1 0 466.630 3.510 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CC(F)(F)C2)C[C@@H]1CC ZINC001314496043 1070416357 /nfs/dbraw/zinc/41/63/57/1070416357.db2.gz GBFPSUNPGLCOAW-FQEVSTJZSA-N 1 0 463.573 3.936 20 0 JHADRO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001308681448 1070416497 /nfs/dbraw/zinc/41/64/97/1070416497.db2.gz AELVWKCXEIGRAD-YLJYHZDGSA-N 1 0 454.571 3.858 20 0 JHADRO CCOC(=O)c1cnn2cc(C[N@@H+]3CCCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cnc12 ZINC001308690781 1070419082 /nfs/dbraw/zinc/41/90/82/1070419082.db2.gz DDSLESLYNHWSJW-UHFFFAOYSA-N 1 0 457.575 3.519 20 0 JHADRO CCOCCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001314497003 1070419584 /nfs/dbraw/zinc/41/95/84/1070419584.db2.gz VRZCQMJCKIBQPN-JOCHJYFZSA-N 1 0 472.653 3.611 20 0 JHADRO CCCn1nc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313462554 1070421577 /nfs/dbraw/zinc/42/15/77/1070421577.db2.gz XVKCPPMPJUBRQQ-VQTJNVASSA-N 1 0 497.713 3.983 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc([C@H](C)CC)n2CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001313462662 1070422362 /nfs/dbraw/zinc/42/23/62/1070422362.db2.gz ZVVGNOUOSQUANW-OFNKIYASSA-N 1 0 466.674 3.633 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(O)cc2)C[C@H]1CC ZINC001314498832 1070425491 /nfs/dbraw/zinc/42/54/91/1070425491.db2.gz RXOZLQKMVOFWCZ-OAQYLSRUSA-N 1 0 455.628 3.621 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCO[C@H](C)C2)C[C@@H]1CC ZINC001314499435 1070427332 /nfs/dbraw/zinc/42/73/32/1070427332.db2.gz KHTNBRZVXQLJEP-OYRHQHFDSA-N 1 0 469.674 3.930 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC=CO2)C[C@H]1CC ZINC001314500108 1070429806 /nfs/dbraw/zinc/42/98/06/1070429806.db2.gz QPQYOCBFUTZESQ-PKTZIBPZSA-N 1 0 457.594 3.638 20 0 JHADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)c1 ZINC001308751692 1070430906 /nfs/dbraw/zinc/43/09/06/1070430906.db2.gz LKTCTKNXQVMXMG-ROUUACIJSA-N 1 0 459.450 3.752 20 0 JHADRO CC[NH+](CC)CCOC(=O)c1cccc(NCc2sc(N3CCOCC3)nc2Cl)c1 ZINC001308758950 1070431849 /nfs/dbraw/zinc/43/18/49/1070431849.db2.gz GPNXESNRAYIPOV-UHFFFAOYSA-N 1 0 453.008 3.744 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC001314501800 1070435275 /nfs/dbraw/zinc/43/52/75/1070435275.db2.gz OCPNAZMITJWJQV-NRFANRHFSA-N 1 0 456.635 3.559 20 0 JHADRO COC[C@H](C[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 ZINC001308771274 1070435501 /nfs/dbraw/zinc/43/55/01/1070435501.db2.gz CQHSUMCMUGIVCQ-SFHVURJKSA-N 1 0 453.004 3.522 20 0 JHADRO COC[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 ZINC001308771273 1070435712 /nfs/dbraw/zinc/43/57/12/1070435712.db2.gz CQHSUMCMUGIVCQ-GOSISDBHSA-N 1 0 453.004 3.522 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001313465936 1070435887 /nfs/dbraw/zinc/43/58/87/1070435887.db2.gz QKNPGUKPLNROAH-YPAWHYETSA-N 1 0 460.711 3.977 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCCCCC2)C1 ZINC001313466140 1070437079 /nfs/dbraw/zinc/43/70/79/1070437079.db2.gz PYORXYVEKLEVLU-FQEVSTJZSA-N 1 0 488.627 3.766 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC2CC[NH+](CCC)CC2)C1 ZINC001313466480 1070439155 /nfs/dbraw/zinc/43/91/55/1070439155.db2.gz LIWGCVHGNSRYIA-JOCHJYFZSA-N 1 0 482.673 3.818 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[N@H+](C)C(C)C)C1 ZINC001313467415 1070443204 /nfs/dbraw/zinc/44/32/04/1070443204.db2.gz QTEWKCPIAMSNIE-GOSISDBHSA-N 1 0 491.478 3.790 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2CC[N@H+](C)[C@@H](C)CC)C1 ZINC001313466830 1070440699 /nfs/dbraw/zinc/44/06/99/1070440699.db2.gz NJIRPZRZUTVVAU-UNMCSNQZSA-N 1 0 477.657 3.966 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001313468598 1070448914 /nfs/dbraw/zinc/44/89/14/1070448914.db2.gz MTEMNOZGICDZHU-UHFFFAOYSA-N 1 0 468.646 3.571 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc2cc(F)ccc2OC(F)F)cnn1C ZINC001308881821 1070454327 /nfs/dbraw/zinc/45/43/27/1070454327.db2.gz WZWQAZPIPQXAIP-HNNXBMFYSA-N 1 0 456.509 3.942 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001314506663 1070453059 /nfs/dbraw/zinc/45/30/59/1070453059.db2.gz BTOFMBVYPDKGMR-UHFFFAOYSA-N 1 0 467.724 3.737 20 0 JHADRO CCOC(=O)Cn1cc(C[NH+]2CCC(Cc3ccccc3Cl)CC2)c(-c2cnn(C)c2)n1 ZINC001308901353 1070456725 /nfs/dbraw/zinc/45/67/25/1070456725.db2.gz FQYAUYYVFKUZOF-UHFFFAOYSA-N 1 0 455.990 3.955 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(C(C)C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001314508155 1070457367 /nfs/dbraw/zinc/45/73/67/1070457367.db2.gz NQWVMICKHLQFTO-FQEVSTJZSA-N 1 0 461.676 3.716 20 0 JHADRO CC(C)(C)OC(=O)CN1CCC([NH2+][C@@H]2CC[C@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001308904760 1070457710 /nfs/dbraw/zinc/45/77/10/1070457710.db2.gz SJRBMQVCVAAHBN-TYPHKJRUSA-N 1 0 451.652 3.950 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001313471310 1070460798 /nfs/dbraw/zinc/46/07/98/1070460798.db2.gz GOBBSFYXHIYERV-OAQYLSRUSA-N 1 0 498.672 3.579 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001313471159 1070460223 /nfs/dbraw/zinc/46/02/23/1070460223.db2.gz DDJKCUPGMAGXGE-OAQYLSRUSA-N 1 0 450.587 3.584 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCCCCC2)CC1 ZINC001314508818 1070460238 /nfs/dbraw/zinc/46/02/38/1070460238.db2.gz IJFPABWUWDFPOV-UHFFFAOYSA-N 1 0 480.078 3.878 20 0 JHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)cc1OC ZINC001308933111 1070461292 /nfs/dbraw/zinc/46/12/92/1070461292.db2.gz MVNIRIBABCORAT-OAQYLSRUSA-N 1 0 451.354 3.675 20 0 JHADRO CC(C)(C)OC(=O)NC1(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CCOCC1 ZINC001308932093 1070461407 /nfs/dbraw/zinc/46/14/07/1070461407.db2.gz XBQHODZCZUTQJA-FHWLQOOXSA-N 1 0 453.624 3.828 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC[N@H+](C)C(C)C)CC1 ZINC001314509033 1070461686 /nfs/dbraw/zinc/46/16/86/1070461686.db2.gz LSUVKDHTKZPGHS-UHFFFAOYSA-N 1 0 486.686 3.571 20 0 JHADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC001308938210 1070462642 /nfs/dbraw/zinc/46/26/42/1070462642.db2.gz IVXJGVFBIZSNKM-ZWKOTPCHSA-N 1 0 455.411 3.635 20 0 JHADRO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)o1 ZINC001308938337 1070463031 /nfs/dbraw/zinc/46/30/31/1070463031.db2.gz CDCDJGQQNFARJM-RUZDIDTESA-N 1 0 456.539 3.945 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001313473336 1070470009 /nfs/dbraw/zinc/47/00/09/1070470009.db2.gz QWRMWOHSIIAKFL-OFNKIYASSA-N 1 0 482.673 3.654 20 0 JHADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 ZINC001309013982 1070484870 /nfs/dbraw/zinc/48/48/70/1070484870.db2.gz NVPQNUYLGHGPAW-QHCPKHFHSA-N 1 0 452.580 3.695 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314516586 1070491905 /nfs/dbraw/zinc/49/19/05/1070491905.db2.gz KKXRLQSHIQUXSR-OFNKIYASSA-N 1 0 484.670 3.678 20 0 JHADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC001309037163 1070500308 /nfs/dbraw/zinc/50/03/08/1070500308.db2.gz NJCKZWCFZLVTNI-UHFFFAOYSA-N 1 0 456.992 3.633 20 0 JHADRO CCCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313489857 1070509846 /nfs/dbraw/zinc/50/98/46/1070509846.db2.gz ZWQZJKPXXBIFES-ROUUACIJSA-N 1 0 481.670 3.822 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001313490122 1070510396 /nfs/dbraw/zinc/51/03/96/1070510396.db2.gz RBZRCVURUQIDHK-HXUWFJFHSA-N 1 0 454.663 3.937 20 0 JHADRO COCc1cc(Cl)cc(S(=O)(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC001309056005 1070511961 /nfs/dbraw/zinc/51/19/61/1070511961.db2.gz TXPZPQPSPRLIDW-IAGOWNOFSA-N 1 0 453.004 3.574 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNS(=O)(=O)c3cccc4c(Cl)ccnc43)cc2)C[C@@H](C)O1 ZINC001309056312 1070512121 /nfs/dbraw/zinc/51/21/21/1070512121.db2.gz WUSSHAKAWCGZCJ-IAGOWNOFSA-N 1 0 459.999 3.976 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001313491457 1070512209 /nfs/dbraw/zinc/51/22/09/1070512209.db2.gz AOJKPAWNOPMFLC-HXUWFJFHSA-N 1 0 456.610 3.703 20 0 JHADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001309064269 1070517559 /nfs/dbraw/zinc/51/75/59/1070517559.db2.gz SCSFRWIIQTVESS-ZIAGYGMSSA-N 1 0 451.402 3.633 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001313493244 1070514351 /nfs/dbraw/zinc/51/43/51/1070514351.db2.gz WZIZUKKCIIGANW-LEWJYISDSA-N 1 0 468.646 3.571 20 0 JHADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)C1 ZINC001309060651 1070514653 /nfs/dbraw/zinc/51/46/53/1070514653.db2.gz CLBUFUVBQTXZEF-HOTGVXAUSA-N 1 0 452.523 3.965 20 0 JHADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001309060998 1070515152 /nfs/dbraw/zinc/51/51/52/1070515152.db2.gz DOPWQRRCOPDSIF-WGIQPIAHSA-N 1 0 456.608 3.829 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001314527883 1070519448 /nfs/dbraw/zinc/51/94/48/1070519448.db2.gz ASRGCGAGIZFXRW-NRFANRHFSA-N 1 0 479.716 3.598 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001314527884 1070519523 /nfs/dbraw/zinc/51/95/23/1070519523.db2.gz ASRGCGAGIZFXRW-OAQYLSRUSA-N 1 0 479.716 3.598 20 0 JHADRO CCCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001313498836 1070520123 /nfs/dbraw/zinc/52/01/23/1070520123.db2.gz ZFXGATDXRHQYEI-QFIPXVFZSA-N 1 0 482.673 3.880 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC(C(=O)OC)CC3)n2CC2([NH+](C)C)CCC2)cc1OC ZINC001313502214 1070527807 /nfs/dbraw/zinc/52/78/07/1070527807.db2.gz HCWPIBVQNBBTPL-UHFFFAOYSA-N 1 0 485.629 3.616 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@@H]3C)n2CCc2ccn(C)n2)cc1OC ZINC001313502550 1070529192 /nfs/dbraw/zinc/52/91/92/1070529192.db2.gz MBYTTXRAHCEYEP-UXHICEINSA-N 1 0 481.645 3.638 20 0 JHADRO CCS(=O)(=O)N(C)C1CCN(c2nnc(C3CCCC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001314538155 1070533387 /nfs/dbraw/zinc/53/33/87/1070533387.db2.gz JXPKOAFCUVIREA-SFTDATJTSA-N 1 0 494.750 3.554 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCC3(C)C)n2CCC[NH+]2CCC(O)CC2)cc1OC ZINC001313504045 1070536076 /nfs/dbraw/zinc/53/60/76/1070536076.db2.gz CFOGGIKLDLITPD-UHFFFAOYSA-N 1 0 471.646 3.968 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001313504303 1070537969 /nfs/dbraw/zinc/53/79/69/1070537969.db2.gz FOSSWBHPDDRDNS-OAQYLSRUSA-N 1 0 498.672 3.533 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[C@H]3C)n2C[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC001313505580 1070543740 /nfs/dbraw/zinc/54/37/40/1070543740.db2.gz JSVRWNTYKIESKA-WOJBJXKFSA-N 1 0 457.619 3.700 20 0 JHADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001309102266 1070541367 /nfs/dbraw/zinc/54/13/67/1070541367.db2.gz CAXXHNBJNTWMOC-CYBMUJFWSA-N 1 0 458.428 3.809 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC(F)(F)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1OC ZINC001313506335 1070547523 /nfs/dbraw/zinc/54/75/23/1070547523.db2.gz SKWSLDLUWZOIFK-FQEVSTJZSA-N 1 0 493.599 3.945 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCOCC3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1OC ZINC001313506488 1070548795 /nfs/dbraw/zinc/54/87/95/1070548795.db2.gz QVBGNVPVKGIQRT-NRFANRHFSA-N 1 0 457.619 3.844 20 0 JHADRO CCCOc1ccc(Cn2c(C(C)C)nnc2N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1OC ZINC001313508106 1070554481 /nfs/dbraw/zinc/55/44/81/1070554481.db2.gz OCNZZPDCEMCBTO-QHCPKHFHSA-N 1 0 484.689 3.852 20 0 JHADRO CC[S@@](=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001314559814 1070561195 /nfs/dbraw/zinc/56/11/95/1070561195.db2.gz OMTBNDYQIYWSJZ-AONNBLCTSA-N 1 0 477.650 3.781 20 0 JHADRO CC[S@@](=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001314565506 1070570881 /nfs/dbraw/zinc/57/08/81/1070570881.db2.gz SEUKBWWBKWYNOU-GDLZYMKVSA-N 1 0 486.455 3.536 20 0 JHADRO CCCOc1ccc(Cn2c(N3CCC[C@@H](C[NH+]4CCOCC4)C3)nnc2C(C)(C)C)cc1OC ZINC001313516207 1070576291 /nfs/dbraw/zinc/57/62/91/1070576291.db2.gz IRCYEVSBMRDODJ-QFIPXVFZSA-N 1 0 485.673 3.970 20 0 JHADRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)NCCCc2ccccc2)cc1 ZINC001309162756 1070578994 /nfs/dbraw/zinc/57/89/94/1070578994.db2.gz BURHPZWLLDGVKQ-UHFFFAOYSA-N 1 0 452.576 3.879 20 0 JHADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cc(Br)cc(Br)c1)C(C)(C)C ZINC001309180021 1070588079 /nfs/dbraw/zinc/58/80/79/1070588079.db2.gz YHMVWPHGQQUMKR-AWEZNQCLSA-N 1 0 456.244 3.856 20 0 JHADRO CC[S@@](=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001314578861 1070589218 /nfs/dbraw/zinc/58/92/18/1070589218.db2.gz MZAFDNKBGBQHST-HYHKQLJDSA-N 1 0 480.078 3.590 20 0 JHADRO CCN(Cc1ccccc1)S(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001309214504 1070613806 /nfs/dbraw/zinc/61/38/06/1070613806.db2.gz STDMRYMCQKMJIZ-UHFFFAOYSA-N 1 0 452.020 3.540 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3noc4c3COCC4)n2CCC[N@H+](C)C(C)C)CC1 ZINC001313531104 1070614031 /nfs/dbraw/zinc/61/40/31/1070614031.db2.gz WPJWCCODJKBTDK-LJQANCHMSA-N 1 0 460.623 3.522 20 0 JHADRO CCSc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[N@H+](CC)[C@H](C)C2)c1 ZINC001314588678 1070614122 /nfs/dbraw/zinc/61/41/22/1070614122.db2.gz JRFTUCVGWRVFOR-GOSISDBHSA-N 1 0 465.627 3.616 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001314590002 1070617726 /nfs/dbraw/zinc/61/77/26/1070617726.db2.gz UZYDDIZYXRIAKD-NSISKUIASA-N 1 0 479.094 3.922 20 0 JHADRO CCCS(=O)(=O)NC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001313533301 1070620900 /nfs/dbraw/zinc/62/09/00/1070620900.db2.gz VSYUZILAQCAVQE-QFIPXVFZSA-N 1 0 494.750 3.671 20 0 JHADRO O=S(=O)(NCC1(O)CCCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309225328 1070625522 /nfs/dbraw/zinc/62/55/22/1070625522.db2.gz FGZFLBYCWAETNA-BJKOFHAPSA-N 1 0 460.615 3.798 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314594068 1070630398 /nfs/dbraw/zinc/63/03/98/1070630398.db2.gz JIUOENQBFYVZEX-BIRZXAFVSA-N 1 0 497.775 3.659 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C)n3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001314594999 1070634084 /nfs/dbraw/zinc/63/40/84/1070634084.db2.gz HPRHAXINQGNFKG-HMXCVIKNSA-N 1 0 458.676 3.727 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(-c3noc4c3COCC4)n2CCC[N@H+](C)C(C)C)C1 ZINC001314595520 1070635894 /nfs/dbraw/zinc/63/58/94/1070635894.db2.gz IZHVGGVROWWFRV-SFHVURJKSA-N 1 0 462.664 3.848 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001313543301 1070641256 /nfs/dbraw/zinc/64/12/56/1070641256.db2.gz HVHIMUOLBMBKCI-FQEVSTJZSA-N 1 0 490.693 3.882 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(-c3cccn3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314597779 1070642559 /nfs/dbraw/zinc/64/25/59/1070642559.db2.gz WKKHGVVTMKYBCJ-SFTDATJTSA-N 1 0 460.692 3.752 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(-c3cccn3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314597778 1070642627 /nfs/dbraw/zinc/64/26/27/1070642627.db2.gz WKKHGVVTMKYBCJ-RTWAWAEBSA-N 1 0 460.692 3.752 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3noc4c3COCC4)n2CC[N@H+](CC)C(C)C)C1 ZINC001314598211 1070643318 /nfs/dbraw/zinc/64/33/18/1070643318.db2.gz LFNNJCXJIQCOIJ-QZTJIDSGSA-N 1 0 462.664 3.847 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccccn3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001314599940 1070648611 /nfs/dbraw/zinc/64/86/11/1070648611.db2.gz OJNDIZLZCHDDAM-BHDDXSALSA-N 1 0 471.719 3.724 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001313545849 1070652147 /nfs/dbraw/zinc/65/21/47/1070652147.db2.gz MHXLVKWBHJYLEK-HXUWFJFHSA-N 1 0 485.677 3.876 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccn3C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001314601437 1070652984 /nfs/dbraw/zinc/65/29/84/1070652984.db2.gz UGASLVZCTBWQGY-PWRODBHTSA-N 1 0 460.692 3.895 20 0 JHADRO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001309261858 1070653137 /nfs/dbraw/zinc/65/31/37/1070653137.db2.gz NXNDRSFSFSHFAP-UNMCSNQZSA-N 1 0 457.640 3.890 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314602396 1070655732 /nfs/dbraw/zinc/65/57/32/1070655732.db2.gz WIJXSIDSBUFCGK-XPWALMASSA-N 1 0 489.734 3.607 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001314603599 1070658659 /nfs/dbraw/zinc/65/86/59/1070658659.db2.gz MBPCCJIIYFJKIT-TZIWHRDSSA-N 1 0 483.748 3.557 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001314606071 1070663312 /nfs/dbraw/zinc/66/33/12/1070663312.db2.gz ACQNLWGBUHPNHA-QFIPXVFZSA-N 1 0 470.687 3.645 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001314604778 1070661210 /nfs/dbraw/zinc/66/12/10/1070661210.db2.gz SCVNVVGVGSOVIX-QHCPKHFHSA-N 1 0 487.714 3.836 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001313552781 1070670198 /nfs/dbraw/zinc/67/01/98/1070670198.db2.gz IGYVRNMHAVCLME-UXHICEINSA-N 1 0 456.610 3.653 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC(=O)OC2CCCCC2)cc1 ZINC001309277545 1070664181 /nfs/dbraw/zinc/66/41/81/1070664181.db2.gz HMWJPDSTUGYFNJ-LOSJGSFVSA-N 1 0 470.635 3.758 20 0 JHADRO CCN(C)C(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001313556398 1070673675 /nfs/dbraw/zinc/67/36/75/1070673675.db2.gz NAJVYOLYXPXTEG-UHFFFAOYSA-N 1 0 454.663 3.693 20 0 JHADRO CCN(C)C(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313557918 1070675067 /nfs/dbraw/zinc/67/50/67/1070675067.db2.gz NPBGPRWCFINGIR-UHFFFAOYSA-N 1 0 458.676 3.668 20 0 JHADRO CCSCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001314611793 1070675714 /nfs/dbraw/zinc/67/57/14/1070675714.db2.gz NSPMWITVNJUENE-UHFFFAOYSA-N 1 0 456.660 3.822 20 0 JHADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001309295168 1070677419 /nfs/dbraw/zinc/67/74/19/1070677419.db2.gz AATBBDKHJSUBFG-NVXWUHKLSA-N 1 0 453.402 3.707 20 0 JHADRO CCSCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCC[N@@H+]1CC ZINC001314612100 1070677676 /nfs/dbraw/zinc/67/76/76/1070677676.db2.gz WWFCFYMTLJSUHI-QZTJIDSGSA-N 1 0 462.664 3.848 20 0 JHADRO CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001313560335 1070678341 /nfs/dbraw/zinc/67/83/41/1070678341.db2.gz GPCPLZOPAPPELN-IEBWSBKVSA-N 1 0 458.676 3.530 20 0 JHADRO CCN(C)c1nnc(COc2ccccc2OC)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001313571199 1070685228 /nfs/dbraw/zinc/68/52/28/1070685228.db2.gz LKGWVCIHYLHWSN-UHFFFAOYSA-N 1 0 457.619 3.745 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(C)C)CC2)c1 ZINC001313573296 1070687399 /nfs/dbraw/zinc/68/73/99/1070687399.db2.gz DVWXREHLSXJGPH-HSZRJFAPSA-N 1 0 473.687 3.553 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N(C)Cc2cnc(C(C)C)nc2)c1 ZINC001313573700 1070688082 /nfs/dbraw/zinc/68/80/82/1070688082.db2.gz WMHPAITUTLIXRC-UHFFFAOYSA-N 1 0 471.613 3.785 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1 ZINC001313575135 1070690356 /nfs/dbraw/zinc/69/03/56/1070690356.db2.gz NFBHMGDVTVVNJH-DHIUTWEWSA-N 1 0 482.673 3.761 20 0 JHADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2sc(Br)cc2C)CC1 ZINC001309326181 1070700642 /nfs/dbraw/zinc/70/06/42/1070700642.db2.gz NQMKPVKKUIUDNO-UHFFFAOYSA-N 1 0 453.468 3.578 20 0 JHADRO Cc1cnn(-c2ccc(S(=O)(=O)NCC[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cc2F)c1 ZINC001309322799 1070698095 /nfs/dbraw/zinc/69/80/95/1070698095.db2.gz QEDRSGWXUGDLIJ-FPOVZHCZSA-N 1 0 456.587 3.899 20 0 JHADRO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[NH+]1CCC(C)CC1)C(C)C ZINC001313581178 1070701003 /nfs/dbraw/zinc/70/10/03/1070701003.db2.gz FZYKICXHOUJMCR-UHFFFAOYSA-N 1 0 461.680 3.513 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CC[NH+]2CCCCC2)C1 ZINC001314621576 1070701172 /nfs/dbraw/zinc/70/11/72/1070701172.db2.gz QWYROBSVCQVTKT-OAQYLSRUSA-N 1 0 469.634 3.662 20 0 JHADRO CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001313583551 1070706160 /nfs/dbraw/zinc/70/61/60/1070706160.db2.gz VVEPXWKJHUZRTB-SQHAQQRYSA-N 1 0 485.673 3.845 20 0 JHADRO CCOCCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001309341909 1070710507 /nfs/dbraw/zinc/71/05/07/1070710507.db2.gz ICEFBJPYFGQTJL-NQHRYMMQSA-N 1 0 458.624 3.681 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(F)(F)C1 ZINC001314627599 1070721000 /nfs/dbraw/zinc/72/10/00/1070721000.db2.gz AZCPTLYBXHAQJK-SFHVURJKSA-N 1 0 484.954 3.526 20 0 JHADRO CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCC[NH+](C)C)cc1)C1CCCCC1 ZINC001313594925 1070721103 /nfs/dbraw/zinc/72/11/03/1070721103.db2.gz ILRBSEZOMYTQJB-UHFFFAOYSA-N 1 0 451.619 3.826 20 0 JHADRO C[C@H]1C[NH+](CCOc2ccc(CCNS(=O)(=O)c3cccc4scnc43)cc2)C[C@@H]1C ZINC001309356717 1070719511 /nfs/dbraw/zinc/71/95/11/1070719511.db2.gz OMMKDDIGRBOGGN-ROUUACIJSA-N 1 0 459.637 3.784 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001314627929 1070722169 /nfs/dbraw/zinc/72/21/69/1070722169.db2.gz FFKAFCVYIWKOPP-QFIPXVFZSA-N 1 0 488.627 3.650 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC001314628459 1070724253 /nfs/dbraw/zinc/72/42/53/1070724253.db2.gz IJCLEDFMTMCSGP-UHFFFAOYSA-N 1 0 476.735 3.632 20 0 JHADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC001309363671 1070724716 /nfs/dbraw/zinc/72/47/16/1070724716.db2.gz WKUFUNMSHUTONE-ZDUSSCGKSA-N 1 0 458.447 3.923 20 0 JHADRO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1)[C@@H](C)C1CCC1 ZINC001313603032 1070726107 /nfs/dbraw/zinc/72/61/07/1070726107.db2.gz DWVOCEAZQUAUDO-TUNNFDKTSA-N 1 0 465.708 3.563 20 0 JHADRO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1)C1CCCCC1 ZINC001313603067 1070726164 /nfs/dbraw/zinc/72/61/64/1070726164.db2.gz FABSGFVSNZVBFQ-ROKPMTFOSA-N 1 0 465.708 3.850 20 0 JHADRO CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCC1)C1CCCC1 ZINC001313607585 1070730877 /nfs/dbraw/zinc/73/08/77/1070730877.db2.gz GOOFNJGMULAJQH-OAQYLSRUSA-N 1 0 476.666 3.841 20 0 JHADRO CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001313607493 1070731262 /nfs/dbraw/zinc/73/12/62/1070731262.db2.gz CYPXWIUXTKILJT-NHCUHLMSSA-N 1 0 478.682 3.942 20 0 JHADRO CCN(c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1nc(C)cs1)C(C)C ZINC001313616352 1070739985 /nfs/dbraw/zinc/73/99/85/1070739985.db2.gz VWCGDQDMYSPKEZ-UHFFFAOYSA-N 1 0 453.660 3.691 20 0 JHADRO CN(C)C(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001314640460 1070744032 /nfs/dbraw/zinc/74/40/32/1070744032.db2.gz QAXGLEBWHWUOMM-JOCHJYFZSA-N 1 0 470.637 3.579 20 0 JHADRO Cn1cc(Br)cc1-c1nnc(N2CCSCC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001314646800 1070747521 /nfs/dbraw/zinc/74/75/21/1070747521.db2.gz DFJMZUHLBQWWEG-IBGZPJMESA-N 1 0 475.460 3.902 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccsc1 ZINC001314647898 1070751327 /nfs/dbraw/zinc/75/13/27/1070751327.db2.gz FZBUNFZHWLYASI-NQIIRXRSSA-N 1 0 466.655 3.919 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001314648662 1070753177 /nfs/dbraw/zinc/75/31/77/1070753177.db2.gz MRGFRLYIIQXSOG-UXHICEINSA-N 1 0 466.586 3.944 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1)c1cccs1 ZINC001314648701 1070753222 /nfs/dbraw/zinc/75/32/22/1070753222.db2.gz NMTZZAMAQBSYQS-SFHVURJKSA-N 1 0 459.019 3.665 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314648879 1070753770 /nfs/dbraw/zinc/75/37/70/1070753770.db2.gz PFBSGXFXWNUREX-UYAOXDASSA-N 1 0 485.658 3.751 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)C1CC1 ZINC001314649300 1070754785 /nfs/dbraw/zinc/75/47/85/1070754785.db2.gz ULLJXGLVSBOFBH-DENIHFKCSA-N 1 0 451.537 3.815 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)C1CC1 ZINC001314649302 1070754840 /nfs/dbraw/zinc/75/48/40/1070754840.db2.gz ULLJXGLVSBOFBH-SIKLNZKXSA-N 1 0 451.537 3.815 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC001314650069 1070758210 /nfs/dbraw/zinc/75/82/10/1070758210.db2.gz YTZNYZZKTVQJOS-PZJWPPBQSA-N 1 0 459.038 3.811 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OCC(N)=O)CC1)c1ccco1 ZINC001314649325 1070755373 /nfs/dbraw/zinc/75/53/73/1070755373.db2.gz UXFQBQACPJKYNS-QFIPXVFZSA-N 1 0 494.640 3.609 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC=C(Br)C1)c1cccs1 ZINC001314649381 1070755707 /nfs/dbraw/zinc/75/57/07/1070755707.db2.gz AHHPRGNHLHBGSF-GOEBONIOSA-N 1 0 452.422 3.635 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1cccs1 ZINC001314649482 1070756128 /nfs/dbraw/zinc/75/61/28/1070756128.db2.gz WEXQNGOPOZWFQP-INIZCTEOSA-N 1 0 466.533 3.598 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccco1 ZINC001314649606 1070756796 /nfs/dbraw/zinc/75/67/96/1070756796.db2.gz NCQIOKPCAOGVNL-UWJYYQICSA-N 1 0 466.508 3.699 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccsc1 ZINC001314650594 1070759324 /nfs/dbraw/zinc/75/93/24/1070759324.db2.gz JVTHQPVAZFDFGX-PMACEKPBSA-N 1 0 474.675 3.579 20 0 JHADRO CCN(CC(C)C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001313629407 1070759777 /nfs/dbraw/zinc/75/97/77/1070759777.db2.gz AIXACEDBWLMDML-TZIWHRDSSA-N 1 0 476.666 3.553 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1)C1CC1 ZINC001314651006 1070760003 /nfs/dbraw/zinc/76/00/03/1070760003.db2.gz VNNORYKUEJGNCE-MOPGFXCFSA-N 1 0 482.620 3.967 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSC(C)(C)C1)C1CC1 ZINC001314651444 1070760752 /nfs/dbraw/zinc/76/07/52/1070760752.db2.gz BZULZGJNQASUPV-OTWHNJEPSA-N 1 0 478.707 3.721 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001314653507 1070766099 /nfs/dbraw/zinc/76/60/99/1070766099.db2.gz ZEDPFUGZSDQXRQ-IFMALSPDSA-N 1 0 484.645 3.578 20 0 JHADRO CCN(CC)C(=O)c1ccc(Cn2c(C3CCCC3)nnc2N2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC001313635410 1070770072 /nfs/dbraw/zinc/77/00/72/1070770072.db2.gz FUEQOLAOCCSLLW-HXUWFJFHSA-N 1 0 452.647 3.996 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314655046 1070771629 /nfs/dbraw/zinc/77/16/29/1070771629.db2.gz ZNOPOZQLCMLUKA-QHAWAJNXSA-N 1 0 488.608 3.675 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314655043 1070771660 /nfs/dbraw/zinc/77/16/60/1070771660.db2.gz ZNOPOZQLCMLUKA-PWRODBHTSA-N 1 0 488.608 3.675 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccsc1 ZINC001314656534 1070774595 /nfs/dbraw/zinc/77/45/95/1070774595.db2.gz PSEMSQKIALHUCC-FCHUYYIVSA-N 1 0 495.697 3.759 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CCOCC1 ZINC001314657375 1070776836 /nfs/dbraw/zinc/77/68/36/1070776836.db2.gz AYLBHHHZRIEGAF-SFHVURJKSA-N 1 0 487.592 3.589 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccsc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001314657459 1070776852 /nfs/dbraw/zinc/77/68/52/1070776852.db2.gz CQLVJVIFENZKQA-IBGZPJMESA-N 1 0 474.675 3.908 20 0 JHADRO C[NH+](C)C1(Cn2c(CC3CCCC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CCCCC1 ZINC001314657934 1070777793 /nfs/dbraw/zinc/77/77/93/1070777793.db2.gz KVRSKGVOPHVWEX-NRFANRHFSA-N 1 0 465.708 3.679 20 0 JHADRO C[NH+](C)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CCCCC1 ZINC001314657937 1070777934 /nfs/dbraw/zinc/77/79/34/1070777934.db2.gz KWTODAUAAVQSKG-HXUWFJFHSA-N 1 0 488.702 3.785 20 0 JHADRO C[NH+](C)C1(Cn2c(N(CCO)Cc3cc(Br)ccc3F)nnc2C(C)(C)C)CCC1 ZINC001314658117 1070778347 /nfs/dbraw/zinc/77/83/47/1070778347.db2.gz RWAGTNIQECTFLK-UHFFFAOYSA-N 1 0 482.442 3.960 20 0 JHADRO C[NH+](C)C1(Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC001314658308 1070778750 /nfs/dbraw/zinc/77/87/50/1070778750.db2.gz XSFZVYGXZJMTIA-OAQYLSRUSA-N 1 0 468.646 3.651 20 0 JHADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001309455938 1070780630 /nfs/dbraw/zinc/78/06/30/1070780630.db2.gz DKCNGRZWNUHTSP-HSZRJFAPSA-N 1 0 458.605 3.878 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3cccc(F)c3)CC2)CCSC1 ZINC001314659159 1070781127 /nfs/dbraw/zinc/78/11/27/1070781127.db2.gz MRBHBQIZUAGHHF-VWLOTQADSA-N 1 0 474.694 3.765 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C[NH+](C)C ZINC001314662794 1070789818 /nfs/dbraw/zinc/78/98/18/1070789818.db2.gz IUBBYPDSDQVHKG-UHFFFAOYSA-N 1 0 451.335 3.632 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cnccn2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001313641717 1070787770 /nfs/dbraw/zinc/78/77/70/1070787770.db2.gz YXFSUHZVYFDFRW-XZOQPEGZSA-N 1 0 477.638 3.968 20 0 JHADRO CN1CCC2(CCN(c3nnc(-c4ccccc4Cl)n3CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001314664857 1070795516 /nfs/dbraw/zinc/79/55/16/1070795516.db2.gz DOSFXTMOCMNTGW-UHFFFAOYSA-N 1 0 459.038 3.635 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001314664579 1070795599 /nfs/dbraw/zinc/79/55/99/1070795599.db2.gz AWGQFSCZCLYEEH-UHFFFAOYSA-N 1 0 456.532 3.746 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001314665221 1070796591 /nfs/dbraw/zinc/79/65/91/1070796591.db2.gz FEEOXVVDSAMKFV-UHFFFAOYSA-N 1 0 461.054 3.592 20 0 JHADRO CN(c1nnc(Cc2ccncc2)n1CC(C)(C)C[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314665840 1070798238 /nfs/dbraw/zinc/79/82/38/1070798238.db2.gz NGXZSQZWSHCSAG-UHFFFAOYSA-N 1 0 485.677 3.687 20 0 JHADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC(C)(C)C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001313644749 1070798427 /nfs/dbraw/zinc/79/84/27/1070798427.db2.gz JCMDROXAIKBBOJ-HSZRJFAPSA-N 1 0 489.753 3.512 20 0 JHADRO CN(c1nnc(Cc2ccccn2)n1CC(C)(C)C[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314666282 1070798904 /nfs/dbraw/zinc/79/89/04/1070798904.db2.gz RJGJYYDNIXPXNM-UHFFFAOYSA-N 1 0 485.677 3.687 20 0 JHADRO CN(C)c1nccc2c1CCN(c1nnc(CCc3ccccc3)n1CC(C)(C)C[NH+](C)C)C2 ZINC001314666109 1070798966 /nfs/dbraw/zinc/79/89/66/1070798966.db2.gz NBCDXKYVHFGWBY-UHFFFAOYSA-N 1 0 461.658 3.675 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001314666577 1070799668 /nfs/dbraw/zinc/79/96/68/1070799668.db2.gz YBVDLJMADMPTIM-LJQANCHMSA-N 1 0 497.047 3.831 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CC(C)(C)C[NH+](C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001314666784 1070800565 /nfs/dbraw/zinc/80/05/65/1070800565.db2.gz WUUMNWSZTLSHJC-UHFFFAOYSA-N 1 0 454.663 3.904 20 0 JHADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313645755 1070803066 /nfs/dbraw/zinc/80/30/66/1070803066.db2.gz OMVNOUCQCXOKGF-HSZRJFAPSA-N 1 0 489.753 3.512 20 0 JHADRO Cn1cccc1-c1nnc(N2CCSC(C)(C)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001314668297 1070803983 /nfs/dbraw/zinc/80/39/83/1070803983.db2.gz DOMQSKIFQZCYIH-UHFFFAOYSA-N 1 0 454.644 3.604 20 0 JHADRO CN(CC(C)(C)C)c1nnc(-c2cc(F)ccc2Br)n1CCOCC[NH+](C)C ZINC001314669849 1070809453 /nfs/dbraw/zinc/80/94/53/1070809453.db2.gz FVPUEKSSQWAASX-UHFFFAOYSA-N 1 0 456.404 3.907 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)c1 ZINC001314669084 1070806602 /nfs/dbraw/zinc/80/66/02/1070806602.db2.gz WEIIYXYKUMBJGL-NDEPHWFRSA-N 1 0 492.668 3.894 20 0 JHADRO CN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C[NH+](C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001314669145 1070806657 /nfs/dbraw/zinc/80/66/57/1070806657.db2.gz YRVVPHJEMFPTAV-JOCHJYFZSA-N 1 0 482.673 3.501 20 0 JHADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)c2csnc2-c2ccccc2)CC1 ZINC001309492130 1070806779 /nfs/dbraw/zinc/80/67/79/1070806779.db2.gz OUNKQBISWWDVDM-LJQANCHMSA-N 1 0 451.658 3.692 20 0 JHADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313647302 1070811258 /nfs/dbraw/zinc/81/12/58/1070811258.db2.gz JQGYDYFQQRSYGL-XMMPIXPASA-N 1 0 495.716 3.590 20 0 JHADRO CC(C)(C)CC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)CC1 ZINC001309499026 1070811652 /nfs/dbraw/zinc/81/16/52/1070811652.db2.gz IHBKLEAATDRJSW-UHFFFAOYSA-N 1 0 453.624 3.583 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccccc3Cl)nnc2N(C)Cc2nccs2)CC1 ZINC001314670819 1070812723 /nfs/dbraw/zinc/81/27/23/1070812723.db2.gz QDPMSTKGMGTJSW-UHFFFAOYSA-N 1 0 474.078 3.965 20 0 JHADRO Cn1cc(C2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(OCC[NH+](C)C)cc3)CC2)cn1 ZINC001314672887 1070818348 /nfs/dbraw/zinc/81/83/48/1070818348.db2.gz XOBSFTYMUKILRK-UHFFFAOYSA-N 1 0 479.673 3.973 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC001314672890 1070818373 /nfs/dbraw/zinc/81/83/73/1070818373.db2.gz XQBLSWQJRPYYSL-LJQANCHMSA-N 1 0 451.537 3.998 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001313650278 1070822044 /nfs/dbraw/zinc/82/20/44/1070822044.db2.gz KLNKQXUXWSCDGQ-QFIPXVFZSA-N 1 0 477.698 3.612 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CCC[NH+]1CCCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001314678088 1070825448 /nfs/dbraw/zinc/82/54/48/1070825448.db2.gz YUYISWODOYHFQI-UHFFFAOYSA-N 1 0 452.647 3.803 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001313651320 1070826309 /nfs/dbraw/zinc/82/63/09/1070826309.db2.gz DMPFUZKHLSQKMZ-OXQOHEQNSA-N 1 0 481.016 3.517 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001313652333 1070829484 /nfs/dbraw/zinc/82/94/84/1070829484.db2.gz FVRZWULCFRRGKR-UHFFFAOYSA-N 1 0 470.666 3.512 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001313654413 1070838767 /nfs/dbraw/zinc/83/87/67/1070838767.db2.gz LAGSSYFAZCAOSR-UHFFFAOYSA-N 1 0 467.662 3.712 20 0 JHADRO CN(c1nnc(-c2cccn2C)n1CCC[NH+]1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314683997 1070840041 /nfs/dbraw/zinc/84/00/41/1070840041.db2.gz CCMJYVKUBPDFAY-UHFFFAOYSA-N 1 0 471.650 3.605 20 0 JHADRO CN(c1nnc(-c2ccc[nH]2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314685855 1070842697 /nfs/dbraw/zinc/84/26/97/1070842697.db2.gz WDQOGKZILURORD-AUSOSSAASA-N 1 0 468.671 3.921 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313655403 1070844667 /nfs/dbraw/zinc/84/46/67/1070844667.db2.gz XOGIGMKNCQZTLR-JOCHJYFZSA-N 1 0 497.688 3.802 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001313655620 1070846154 /nfs/dbraw/zinc/84/61/54/1070846154.db2.gz RKIAELKREDPFNK-NRFANRHFSA-N 1 0 494.688 3.664 20 0 JHADRO CN(c1nnc(C2CCC2)n1CCNC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314688498 1070847856 /nfs/dbraw/zinc/84/78/56/1070847856.db2.gz HAOIZIPPAZBJHG-NRFANRHFSA-N 1 0 454.619 3.781 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001313656103 1070849021 /nfs/dbraw/zinc/84/90/21/1070849021.db2.gz DUFGRBYSTQCMIO-QGZVFWFLSA-N 1 0 459.038 3.824 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001313656425 1070850638 /nfs/dbraw/zinc/85/06/38/1070850638.db2.gz IXPDVBVHYVCUAL-WOJBJXKFSA-N 1 0 481.645 3.810 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001313656759 1070851622 /nfs/dbraw/zinc/85/16/22/1070851622.db2.gz LFXFMIGJEJDSCA-LQWHRVPQSA-N 1 0 498.093 3.815 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1CC1([S@@](C)=O)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314692365 1070852835 /nfs/dbraw/zinc/85/28/35/1070852835.db2.gz AGICNOHSHFAFAA-XFSFLGPDSA-N 1 0 457.688 3.879 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001313657060 1070853624 /nfs/dbraw/zinc/85/36/24/1070853624.db2.gz IOCJBMPIIRALKS-NLWGTHIKSA-N 1 0 493.743 3.875 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H]1C(C)C ZINC001313657580 1070855955 /nfs/dbraw/zinc/85/59/55/1070855955.db2.gz SHOFNBNOKARKCS-UYAOXDASSA-N 1 0 475.707 3.902 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001313657891 1070857659 /nfs/dbraw/zinc/85/76/59/1070857659.db2.gz PGWBPZCFHIOVJN-KNQAVFIVSA-N 1 0 452.647 3.784 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001313659670 1070863732 /nfs/dbraw/zinc/86/37/32/1070863732.db2.gz KRCKJLNSCNQQBN-FQEVSTJZSA-N 1 0 476.629 3.629 20 0 JHADRO O=S(=O)(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccnn1CCc1ccccc1 ZINC001309561308 1070858966 /nfs/dbraw/zinc/85/89/66/1070858966.db2.gz GKHQNFPDUVTSPI-XMMPIXPASA-N 1 0 452.624 3.706 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001313658518 1070859610 /nfs/dbraw/zinc/85/96/10/1070859610.db2.gz ATYONWQAZWPQIW-TZIWHRDSSA-N 1 0 451.623 3.524 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001313658674 1070860219 /nfs/dbraw/zinc/86/02/19/1070860219.db2.gz SWUDMISQYUELGW-AEFFLSMTSA-N 1 0 460.989 3.901 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H]1CCOC1 ZINC001313659115 1070860887 /nfs/dbraw/zinc/86/08/87/1070860887.db2.gz DUPKPHXKNKYTOL-RDJZCZTQSA-N 1 0 466.424 3.672 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC001313659036 1070861514 /nfs/dbraw/zinc/86/15/14/1070861514.db2.gz HALLKDRZFSEIIR-OFNKIYASSA-N 1 0 450.635 3.514 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOCC2(CCC2)C1 ZINC001313660860 1070866992 /nfs/dbraw/zinc/86/69/92/1070866992.db2.gz UAYRVFKVNPJMDQ-IBGZPJMESA-N 1 0 457.619 3.700 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(F)cc2)CC1 ZINC001313661048 1070867771 /nfs/dbraw/zinc/86/77/71/1070867771.db2.gz CIPJDQPJXYHWMB-FQEVSTJZSA-N 1 0 451.594 3.845 20 0 JHADRO CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314702072 1070868866 /nfs/dbraw/zinc/86/88/66/1070868866.db2.gz PVQCIBDGDMCXJA-UHFFFAOYSA-N 1 0 489.064 3.548 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001313662479 1070870777 /nfs/dbraw/zinc/87/07/77/1070870777.db2.gz AXCXGWDWOCJAEB-HXUWFJFHSA-N 1 0 454.667 3.906 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001313662406 1070870914 /nfs/dbraw/zinc/87/09/14/1070870914.db2.gz SUUYNEZOBXBCGV-QGZVFWFLSA-N 1 0 453.616 3.626 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313663661 1070872625 /nfs/dbraw/zinc/87/26/25/1070872625.db2.gz KOPWKYNUSKXXGC-TZIWHRDSSA-N 1 0 456.635 3.594 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC001313663590 1070872808 /nfs/dbraw/zinc/87/28/08/1070872808.db2.gz JLPMSDBGOCPDGQ-RXVVDRJESA-N 1 0 486.661 3.511 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCS[C@H](C)[C@H]1C)c1ccsc1 ZINC001313663794 1070874069 /nfs/dbraw/zinc/87/40/69/1070874069.db2.gz HXHDAFQRXQHZJC-QWFCFKBJSA-N 1 0 476.716 3.989 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001313663823 1070874189 /nfs/dbraw/zinc/87/41/89/1070874189.db2.gz KSTXNEPDZYAMGZ-SIKLNZKXSA-N 1 0 486.636 3.571 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001313664153 1070875387 /nfs/dbraw/zinc/87/53/87/1070875387.db2.gz MUUMTFJQSNSSSQ-RBUKOAKNSA-N 1 0 477.600 3.669 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001313664311 1070876069 /nfs/dbraw/zinc/87/60/69/1070876069.db2.gz APWFEZJITPFHAN-BKULYWANSA-N 1 0 455.647 3.808 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001313664363 1070876954 /nfs/dbraw/zinc/87/69/54/1070876954.db2.gz BLQMEFWYDNUGCG-JOCHJYFZSA-N 1 0 483.705 3.814 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001313665613 1070881195 /nfs/dbraw/zinc/88/11/95/1070881195.db2.gz GAEKQWYEIKVJRC-SLYNCCJLSA-N 1 0 479.572 3.692 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001313664813 1070878125 /nfs/dbraw/zinc/87/81/25/1070878125.db2.gz CKXSEGQVZMIUEY-LJQANCHMSA-N 1 0 489.064 3.690 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313664941 1070878775 /nfs/dbraw/zinc/87/87/75/1070878775.db2.gz AZKLAHAGAMXSOK-GXRSIYKFSA-N 1 0 476.710 3.668 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001313665580 1070880158 /nfs/dbraw/zinc/88/01/58/1070880158.db2.gz FWCBRNDWHIONEZ-CGXNFDGLSA-N 1 0 476.666 3.696 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccccc2F)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314708069 1070880445 /nfs/dbraw/zinc/88/04/45/1070880445.db2.gz FWRWXZPBCGAFMS-NRFANRHFSA-N 1 0 488.652 3.858 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2OC)CC1 ZINC001313665842 1070881689 /nfs/dbraw/zinc/88/16/89/1070881689.db2.gz SDSCTXIEVCFBOA-URXFXBBRSA-N 1 0 470.662 3.581 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001313666454 1070884271 /nfs/dbraw/zinc/88/42/71/1070884271.db2.gz GAYAHPYEFOKWFT-FUHIMQAGSA-N 1 0 477.078 3.669 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001313666759 1070885996 /nfs/dbraw/zinc/88/59/96/1070885996.db2.gz JNECCVKNDFOMNN-NZQKXSOJSA-N 1 0 480.661 3.946 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001313667031 1070887655 /nfs/dbraw/zinc/88/76/55/1070887655.db2.gz ZXELPUGXHBLDJF-VLSUOOLDSA-N 1 0 492.064 3.964 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001313668218 1070891438 /nfs/dbraw/zinc/89/14/38/1070891438.db2.gz OKUZWFFOHVELOY-IEBWSBKVSA-N 1 0 471.581 3.802 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001313668352 1070891580 /nfs/dbraw/zinc/89/15/80/1070891580.db2.gz PQCMZNUXOBTUHR-IFMALSPDSA-N 1 0 482.673 3.696 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313668658 1070892725 /nfs/dbraw/zinc/89/27/25/1070892725.db2.gz RFPIOJFQMPUGPT-RTWAWAEBSA-N 1 0 486.661 3.999 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc([C@H]2CCCCO2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314711625 1070893214 /nfs/dbraw/zinc/89/32/14/1070893214.db2.gz JPCLFZQFPPVIAB-NHCUHLMSSA-N 1 0 490.599 3.993 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313668940 1070893450 /nfs/dbraw/zinc/89/34/50/1070893450.db2.gz SXHBICDPUZENCW-SFHVURJKSA-N 1 0 492.615 3.935 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC001313669755 1070895384 /nfs/dbraw/zinc/89/53/84/1070895384.db2.gz XIVXRSIUCVJKMT-YZUZCNPQSA-N 1 0 483.636 3.976 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001313669948 1070895626 /nfs/dbraw/zinc/89/56/26/1070895626.db2.gz GEXJTCFJMLZOTB-WMZHIEFXSA-N 1 0 452.578 3.711 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001313669946 1070895765 /nfs/dbraw/zinc/89/57/65/1070895765.db2.gz GEXJTCFJMLZOTB-CVDCTZTESA-N 1 0 452.578 3.711 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314712344 1070895961 /nfs/dbraw/zinc/89/59/61/1070895961.db2.gz ROQVMYRRMKOGBB-UHFFFAOYSA-N 1 0 485.036 3.529 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 ZINC001313671379 1070899541 /nfs/dbraw/zinc/89/95/41/1070899541.db2.gz IEFSQHGEHBNBHM-HSZRJFAPSA-N 1 0 488.702 3.537 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001313670131 1070896667 /nfs/dbraw/zinc/89/66/67/1070896667.db2.gz ZFKJLEPOACQCMP-ZJSXRUAMSA-N 1 0 481.645 3.516 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 ZINC001313670957 1070898572 /nfs/dbraw/zinc/89/85/72/1070898572.db2.gz FQSFWMGRQKWFOX-DEOSSOPVSA-N 1 0 490.656 3.513 20 0 JHADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(I)s1 ZINC001309647863 1070900806 /nfs/dbraw/zinc/90/08/06/1070900806.db2.gz RQTVXBBOAROFOS-HIFRSBDPSA-N 1 0 474.389 3.658 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(-c2ccccn2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314713155 1070900911 /nfs/dbraw/zinc/90/09/11/1070900911.db2.gz ZFPPABDIPIFDGH-HXUWFJFHSA-N 1 0 479.972 3.964 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccn2C)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 ZINC001313671965 1070901513 /nfs/dbraw/zinc/90/15/13/1070901513.db2.gz DVQVXJPRLQXXKI-JOCHJYFZSA-N 1 0 465.646 3.718 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(F)(F)CC1)c1ccsc1 ZINC001313672387 1070903253 /nfs/dbraw/zinc/90/32/53/1070903253.db2.gz NFQCZGCUIMMITO-DLBZAZTESA-N 1 0 452.575 3.609 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001313673569 1070907810 /nfs/dbraw/zinc/90/78/10/1070907810.db2.gz ZNVSDNSQAGCPDB-OAQYLSRUSA-N 1 0 480.632 3.707 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001313673570 1070907844 /nfs/dbraw/zinc/90/78/44/1070907844.db2.gz ZOAJDPJSTKYWTR-JOCHJYFZSA-N 1 0 489.668 3.735 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccsc1 ZINC001313673461 1070907855 /nfs/dbraw/zinc/90/78/55/1070907855.db2.gz RRSJUYCJNIGCCI-FXAWDEMLSA-N 1 0 471.631 3.695 20 0 JHADRO COCCN(CCF)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309660265 1070908430 /nfs/dbraw/zinc/90/84/30/1070908430.db2.gz CMGWUBNKKLIBFB-FCHUYYIVSA-N 1 0 454.995 3.556 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCC(F)(F)F)c1ccccc1 ZINC001313674313 1070911438 /nfs/dbraw/zinc/91/14/38/1070911438.db2.gz URDJIVQCHCKOOI-MSOLQXFVSA-N 1 0 452.525 3.701 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2CCOC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccco1 ZINC001313674802 1070913389 /nfs/dbraw/zinc/91/33/89/1070913389.db2.gz KSAXUHKJTHUTRW-NLFFAJNJSA-N 1 0 475.634 3.610 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(CC)C1)c1ccco1 ZINC001313676109 1070919458 /nfs/dbraw/zinc/91/94/58/1070919458.db2.gz CGEDSKICTTZKNV-BWKNWUBXSA-N 1 0 452.603 3.945 20 0 JHADRO CN(Cc1c(F)cccc1Cl)c1nnc(-c2cccnc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314720196 1070914138 /nfs/dbraw/zinc/91/41/38/1070914138.db2.gz QHWBAEFEVNXIEE-UHFFFAOYSA-N 1 0 472.012 3.795 20 0 JHADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC001309670816 1070914815 /nfs/dbraw/zinc/91/48/15/1070914815.db2.gz RBXTUIGRMZGGCW-UHFFFAOYSA-N 1 0 453.004 3.968 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccco1 ZINC001313675339 1070914777 /nfs/dbraw/zinc/91/47/77/1070914777.db2.gz RYNRAZNHUXAKKR-FXAWDEMLSA-N 1 0 471.005 3.942 20 0 JHADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC001309670046 1070914968 /nfs/dbraw/zinc/91/49/68/1070914968.db2.gz HZGABNGJAVSXJN-UHFFFAOYSA-N 1 0 453.004 3.968 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCOC1)c1ccsc1 ZINC001313675522 1070916697 /nfs/dbraw/zinc/91/66/97/1070916697.db2.gz PARRJWHNZMOKAR-NHCUHLMSSA-N 1 0 457.648 3.509 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccsc1 ZINC001313676168 1070919797 /nfs/dbraw/zinc/91/97/97/1070919797.db2.gz CXMAOBZOSSDSFS-HSALFYBXSA-N 1 0 474.675 3.946 20 0 JHADRO CN(CC(F)(F)F)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CC[NH+](C2CC2)CC1 ZINC001314721309 1070917811 /nfs/dbraw/zinc/91/78/11/1070917811.db2.gz GPMHLOLIWLEPHP-CALCHBBNSA-N 1 0 486.583 3.922 20 0 JHADRO CN(CC(F)(F)F)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001314721247 1070917885 /nfs/dbraw/zinc/91/78/85/1070917885.db2.gz DMJFTFUQUVOGDJ-UHFFFAOYSA-N 1 0 493.559 3.580 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001313676270 1070920497 /nfs/dbraw/zinc/92/04/97/1070920497.db2.gz ZBXXRFAQJOPPEV-NHCUHLMSSA-N 1 0 471.627 3.553 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2C[C@H](N3CCOCC3)[C@@H](C)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001313676306 1070920536 /nfs/dbraw/zinc/92/05/36/1070920536.db2.gz VMVJSHGTRQFQHJ-OEMFJLHTSA-N 1 0 468.690 3.816 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C)C1)c1ccccc1 ZINC001313676459 1070921049 /nfs/dbraw/zinc/92/10/49/1070921049.db2.gz DIIBMPZWTXRNJM-PGRDOPGGSA-N 1 0 454.644 3.942 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccsc1 ZINC001313676487 1070921419 /nfs/dbraw/zinc/92/14/19/1070921419.db2.gz FBJZPNYQQSXKBP-SIKLNZKXSA-N 1 0 460.692 3.893 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccccc1 ZINC001313676644 1070922086 /nfs/dbraw/zinc/92/20/86/1070922086.db2.gz YMXCSCOKXIHFNQ-OEMFJLHTSA-N 1 0 482.673 3.906 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314723932 1070924477 /nfs/dbraw/zinc/92/44/77/1070924477.db2.gz ZOFZFJUGLQYYTG-NRFANRHFSA-N 1 0 472.996 3.540 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)F)CC1)c1ccsc1 ZINC001313677133 1070924546 /nfs/dbraw/zinc/92/45/46/1070924546.db2.gz ICBZJTKIPFDGBJ-UYAOXDASSA-N 1 0 482.645 3.704 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1)c1ccccc1 ZINC001313677616 1070926061 /nfs/dbraw/zinc/92/60/61/1070926061.db2.gz KXALWUUIMAPLSA-ICDZXHCJSA-N 1 0 468.690 3.717 20 0 JHADRO CN(Cc1cc(F)cc(F)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314724763 1070926307 /nfs/dbraw/zinc/92/63/07/1070926307.db2.gz POKXFYFYTZGOGJ-HXUWFJFHSA-N 1 0 476.959 3.755 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(Cc2ccncc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314724807 1070926961 /nfs/dbraw/zinc/92/69/61/1070926961.db2.gz RMSJDTRVZKHBMO-QHCPKHFHSA-N 1 0 476.572 3.755 20 0 JHADRO CCN(CC)c1ccc(Cn2c(Cc3ccccc3OC)nnc2N2CC[NH+](C(C)C)CC2)cn1 ZINC001313678467 1070930102 /nfs/dbraw/zinc/93/01/02/1070930102.db2.gz FEEMGDMIYBXYBV-UHFFFAOYSA-N 1 0 477.657 3.697 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1)c1ccccc1 ZINC001313680238 1070938302 /nfs/dbraw/zinc/93/83/02/1070938302.db2.gz SHRMBGWRSPXUPG-GJZUVCINSA-N 1 0 455.647 3.946 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc(C2CCC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314729860 1070945332 /nfs/dbraw/zinc/94/53/32/1070945332.db2.gz OXPVGHMTCDEXOA-INIZCTEOSA-N 1 0 468.465 3.853 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)c1ccco1 ZINC001313681740 1070941057 /nfs/dbraw/zinc/94/10/57/1070941057.db2.gz YSCHHQFIUHVVPX-PMACEKPBSA-N 1 0 471.650 3.583 20 0 JHADRO CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001313682754 1070943433 /nfs/dbraw/zinc/94/34/33/1070943433.db2.gz RORODLHNNBUYHC-UHFFFAOYSA-N 1 0 461.408 3.871 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2N2CCCCC2)CC1 ZINC001313691583 1070951413 /nfs/dbraw/zinc/95/14/13/1070951413.db2.gz QEDZRKAUZQKINA-UHFFFAOYSA-N 1 0 481.689 3.766 20 0 JHADRO CN(Cc1ccc(F)c(F)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314732838 1070953668 /nfs/dbraw/zinc/95/36/68/1070953668.db2.gz IHYZHQXLIRXKPN-RTBURBONSA-N 1 0 460.554 3.508 20 0 JHADRO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCCCCC1 ZINC001314734731 1070957950 /nfs/dbraw/zinc/95/79/50/1070957950.db2.gz LFJFLYSGVQXBHZ-IBGZPJMESA-N 1 0 482.526 3.900 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccc(C)cc2)CC1 ZINC001313695416 1070960069 /nfs/dbraw/zinc/96/00/69/1070960069.db2.gz FRLXZZYFMAVVKS-UHFFFAOYSA-N 1 0 468.646 3.602 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CC=CCO2)CC1 ZINC001313695748 1070961231 /nfs/dbraw/zinc/96/12/31/1070961231.db2.gz BPBUEAWKMBMZRJ-NRFANRHFSA-N 1 0 455.603 3.521 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001313695957 1070962002 /nfs/dbraw/zinc/96/20/02/1070962002.db2.gz ORKHNVRMIQOCCF-UHFFFAOYSA-N 1 0 477.535 3.778 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cnn(C)c2)CC1 ZINC001313696380 1070962612 /nfs/dbraw/zinc/96/26/12/1070962612.db2.gz GNUCEWVFOAFSFD-UHFFFAOYSA-N 1 0 451.619 3.566 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314737084 1070965923 /nfs/dbraw/zinc/96/59/23/1070965923.db2.gz KEKNAVPNHDKEDJ-DLDYESNYSA-N 1 0 471.627 3.789 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001313697364 1070966230 /nfs/dbraw/zinc/96/62/30/1070966230.db2.gz NILKQYHQIOPUEP-UHFFFAOYSA-N 1 0 480.661 3.605 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cnnn2C)CC1 ZINC001313697391 1070966264 /nfs/dbraw/zinc/96/62/64/1070966264.db2.gz OBYVTWWUZILJLG-UHFFFAOYSA-N 1 0 475.066 3.711 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001313697975 1070968998 /nfs/dbraw/zinc/96/89/98/1070968998.db2.gz YKXUEKBHGDRAJQ-RTBURBONSA-N 1 0 488.702 3.784 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314738549 1070969571 /nfs/dbraw/zinc/96/95/71/1070969571.db2.gz YJGSGHSZINCUSE-MAABLIJQSA-N 1 0 487.695 3.910 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cccn2)CC1 ZINC001313698226 1070969572 /nfs/dbraw/zinc/96/95/72/1070969572.db2.gz UUMJPBMJXLIHLH-UHFFFAOYSA-N 1 0 475.439 3.633 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001313699035 1070972615 /nfs/dbraw/zinc/97/26/15/1070972615.db2.gz QYXXMDMDXVBJGI-ISKFKSNPSA-N 1 0 496.700 3.901 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001313699021 1070972642 /nfs/dbraw/zinc/97/26/42/1070972642.db2.gz QOFZIXFVMJHENE-ZJSXRUAMSA-N 1 0 496.700 3.901 20 0 JHADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(Cc2ccccn2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314740084 1070974038 /nfs/dbraw/zinc/97/40/38/1070974038.db2.gz SMYDZAPSNWTHMU-UHFFFAOYSA-N 1 0 496.681 3.568 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001313699527 1070974298 /nfs/dbraw/zinc/97/42/98/1070974298.db2.gz LQUHJERSMRCXPV-IRLDBZIGSA-N 1 0 452.647 3.680 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001313700996 1070978738 /nfs/dbraw/zinc/97/87/38/1070978738.db2.gz ALIVMIHZXVRNMH-OAQYLSRUSA-N 1 0 484.645 3.600 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(-c2cccn2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314740569 1070976589 /nfs/dbraw/zinc/97/65/89/1070976589.db2.gz XPFQQWXSDTYPRP-XIFFEERXSA-N 1 0 468.671 3.779 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(C)C)nnc2N2CCO[C@@H](c3noc(C)n3)C2)c1 ZINC001313700644 1070978099 /nfs/dbraw/zinc/97/80/99/1070978099.db2.gz WAKUKCHFXQBXKU-OAQYLSRUSA-N 1 0 453.591 3.561 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CC[C@H](NC(=O)NC4CC4)C3)nnc2C(C)(C)C)c1 ZINC001313702005 1070982052 /nfs/dbraw/zinc/98/20/52/1070982052.db2.gz FILVOEWVRNGORC-QFIPXVFZSA-N 1 0 467.662 3.506 20 0 JHADRO CN(Cc1cccc(C(N)=O)c1)c1nnc(CC2CCCC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314742771 1070982118 /nfs/dbraw/zinc/98/21/18/1070982118.db2.gz SIMVQXSCYUAYGE-QFIPXVFZSA-N 1 0 452.647 3.867 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCS(C)(=O)=O)C1 ZINC001313701891 1070982230 /nfs/dbraw/zinc/98/22/30/1070982230.db2.gz KZAONRLGBQHXFP-RTBURBONSA-N 1 0 493.743 3.734 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N2CCC[C@H](C(C)(C)O)C2)cc1 ZINC001309830627 1070988440 /nfs/dbraw/zinc/98/84/40/1070988440.db2.gz XEIRJMHRUSHJPN-CCDWMCETSA-N 1 0 456.652 3.776 20 0 JHADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)C2)s1 ZINC001309831066 1070988495 /nfs/dbraw/zinc/98/84/95/1070988495.db2.gz RYWKEHRDFZAACO-NSHDSACASA-N 1 0 454.486 3.895 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCCOC3)nnc2N(C)CC2COC(C)(C)OC2)c1 ZINC001313704484 1070990624 /nfs/dbraw/zinc/99/06/24/1070990624.db2.gz XBSIFGSOFGJYPO-DEOSSOPVSA-N 1 0 485.673 3.898 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001313704572 1070991207 /nfs/dbraw/zinc/99/12/07/1070991207.db2.gz KBDAXYXVGJFRFD-HSZRJFAPSA-N 1 0 476.625 3.543 20 0 JHADRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCOCC1 ZINC001309838695 1070991316 /nfs/dbraw/zinc/99/13/16/1070991316.db2.gz LYPJOJJZSXRWEK-UHFFFAOYSA-N 1 0 458.502 3.545 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313704860 1070991722 /nfs/dbraw/zinc/99/17/22/1070991722.db2.gz NTGGKPQJSURNCZ-NRFANRHFSA-N 1 0 475.641 3.596 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(Br)s2)C1 ZINC001313705113 1070993184 /nfs/dbraw/zinc/99/31/84/1070993184.db2.gz AQZRXJGKMKGBKF-INIZCTEOSA-N 1 0 497.507 3.651 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)OC(C)(C)C2)cc1 ZINC001313705310 1070993629 /nfs/dbraw/zinc/99/36/29/1070993629.db2.gz QCOREXPXQSAWQI-FQEVSTJZSA-N 1 0 491.640 3.819 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC(F)(F)CO2)C1 ZINC001313705546 1070993761 /nfs/dbraw/zinc/99/37/61/1070993761.db2.gz DOXQGKKOXAZFEE-GOEBONIOSA-N 1 0 487.393 3.628 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 ZINC001313707278 1070998249 /nfs/dbraw/zinc/99/82/49/1070998249.db2.gz LFAIXJFYQJLLAM-CQSZACIVSA-N 1 0 484.958 3.895 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001313705810 1070994953 /nfs/dbraw/zinc/99/49/53/1070994953.db2.gz VHKFNKDYZXGLTR-MOPGFXCFSA-N 1 0 453.660 3.899 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001313705811 1070994958 /nfs/dbraw/zinc/99/49/58/1070994958.db2.gz VHKFNKDYZXGLTR-OALUTQOASA-N 1 0 453.660 3.899 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001313705812 1070994991 /nfs/dbraw/zinc/99/49/91/1070994991.db2.gz VHKFNKDYZXGLTR-RBUKOAKNSA-N 1 0 453.660 3.899 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(F)c(F)c2)C1 ZINC001313706143 1070995628 /nfs/dbraw/zinc/99/56/28/1070995628.db2.gz AIUWYQRMUIUREA-GOSISDBHSA-N 1 0 458.557 3.809 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001313706010 1070995766 /nfs/dbraw/zinc/99/57/66/1070995766.db2.gz XWPGFTNSSQONKD-UHFFFAOYSA-N 1 0 490.737 3.841 20 0 JHADRO O=S(=O)(C[C@H]1CCCCC1(F)F)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001309853568 1070996581 /nfs/dbraw/zinc/99/65/81/1070996581.db2.gz ZLFGMGXVUOPJHU-NHCUHLMSSA-N 1 0 456.599 3.945 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001313707001 1070997482 /nfs/dbraw/zinc/99/74/82/1070997482.db2.gz HTXGUHBOVKBEHJ-GOSISDBHSA-N 1 0 477.535 3.826 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C)c2)C1 ZINC001313707141 1070997589 /nfs/dbraw/zinc/99/75/89/1070997589.db2.gz LDOWOEXQBFXCAI-OZXSUGGESA-N 1 0 455.647 3.844 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCCO2)C1 ZINC001313708024 1070999503 /nfs/dbraw/zinc/99/95/03/1070999503.db2.gz QNBQEOIGEHLFJV-JTHBVZDNSA-N 1 0 468.646 3.884 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C3CCCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001313709131 1071001705 /nfs/dbraw/zinc/00/17/05/1071001705.db2.gz CQXOIUGYKYHNJV-FPOVZHCZSA-N 1 0 486.627 3.757 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCO2)C1 ZINC001313709543 1071002447 /nfs/dbraw/zinc/00/24/47/1071002447.db2.gz NIFMJDJCWMHQGS-KJJMTIBFSA-N 1 0 490.693 3.786 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001313709507 1071002485 /nfs/dbraw/zinc/00/24/85/1071002485.db2.gz MSDPMYKSKWGVSF-KRWDZBQOSA-N 1 0 460.573 3.648 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2COCCO2)C1 ZINC001313709723 1071002896 /nfs/dbraw/zinc/00/28/96/1071002896.db2.gz PNTPRPJKGSHYTC-ZJSXRUAMSA-N 1 0 485.673 3.738 20 0 JHADRO CN(Cc1ccccc1Cl)c1nnc(-c2ccccn2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314750800 1071003108 /nfs/dbraw/zinc/00/31/08/1071003108.db2.gz WZKGWODBPWAJRF-FQEVSTJZSA-N 1 0 455.006 3.867 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2COCCO2)C1 ZINC001313709720 1071002988 /nfs/dbraw/zinc/00/29/88/1071002988.db2.gz PNTPRPJKGSHYTC-XUZZJYLKSA-N 1 0 485.673 3.738 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)C)C1 ZINC001313710612 1071004824 /nfs/dbraw/zinc/00/48/24/1071004824.db2.gz ATRAYWKUTXNUMN-RTWAWAEBSA-N 1 0 478.682 3.801 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(F)(F)Br)C1 ZINC001313710731 1071004982 /nfs/dbraw/zinc/00/49/82/1071004982.db2.gz JXZATHRDFYORPF-OAHLLOKOSA-N 1 0 457.367 3.804 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001313711173 1071005618 /nfs/dbraw/zinc/00/56/18/1071005618.db2.gz NDZBQNZHQNMUPV-IRLDBZIGSA-N 1 0 489.064 3.599 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001313711904 1071007734 /nfs/dbraw/zinc/00/77/34/1071007734.db2.gz IZTBUIFYBWQOCE-RPWUZVMVSA-N 1 0 466.674 3.604 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001313712306 1071008403 /nfs/dbraw/zinc/00/84/03/1071008403.db2.gz NLGVULSIQBBMLR-QHCPKHFHSA-N 1 0 489.462 3.607 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001313713966 1071011100 /nfs/dbraw/zinc/01/11/00/1071011100.db2.gz GKOKKGUQNMAVEZ-UHFFFAOYSA-N 1 0 455.651 3.616 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)c2ccccc2)CC1 ZINC001313715572 1071014503 /nfs/dbraw/zinc/01/45/03/1071014503.db2.gz IYRNTXDJEFOJKP-UHFFFAOYSA-N 1 0 450.635 3.516 20 0 JHADRO CN(Cc1ccco1)c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1CCC(O)CC1 ZINC001314757607 1071011787 /nfs/dbraw/zinc/01/17/87/1071011787.db2.gz QAFZVUCEAFGRGO-UHFFFAOYSA-N 1 0 480.432 3.845 20 0 JHADRO CN(Cc1ccco1)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001314757747 1071012044 /nfs/dbraw/zinc/01/20/44/1071012044.db2.gz QYEDEHYPZFSCJX-HXUWFJFHSA-N 1 0 464.595 3.802 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314759505 1071014853 /nfs/dbraw/zinc/01/48/53/1071014853.db2.gz IQOXAYCYZOXSRP-GOSISDBHSA-N 1 0 489.447 3.770 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCCC[C@H](SC)C1 ZINC001313715871 1071014937 /nfs/dbraw/zinc/01/49/37/1071014937.db2.gz LNNXOFLXGYSQGM-IBGZPJMESA-N 1 0 483.686 3.646 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001313715240 1071013955 /nfs/dbraw/zinc/01/39/55/1071013955.db2.gz AAFPJEIOOOFKTL-QHWMMSMNSA-N 1 0 485.673 3.979 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001313715682 1071015180 /nfs/dbraw/zinc/01/51/80/1071015180.db2.gz HSKWJYHNYBVYLR-UHFFFAOYSA-N 1 0 497.688 3.544 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001313715937 1071015494 /nfs/dbraw/zinc/01/54/94/1071015494.db2.gz MRBWCVLBDBWVJA-JOCHJYFZSA-N 1 0 458.557 3.872 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 ZINC001313715930 1071015589 /nfs/dbraw/zinc/01/55/89/1071015589.db2.gz MPPXJXWDUOJHML-RUZDIDTESA-N 1 0 452.578 3.617 20 0 JHADRO CC[NH+](CC)CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001313716468 1071015823 /nfs/dbraw/zinc/01/58/23/1071015823.db2.gz IYVXUGUATGWDKL-UHFFFAOYSA-N 1 0 458.626 3.700 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001313716407 1071016166 /nfs/dbraw/zinc/01/61/66/1071016166.db2.gz SENDOFAXIURVDX-UHFFFAOYSA-N 1 0 487.718 3.595 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001313716608 1071016516 /nfs/dbraw/zinc/01/65/16/1071016516.db2.gz UJKMANAAOSUPRQ-LJQANCHMSA-N 1 0 486.615 3.572 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001313717643 1071017237 /nfs/dbraw/zinc/01/72/37/1071017237.db2.gz HRVSGECOXDIYDO-FQEVSTJZSA-N 1 0 471.646 3.947 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001313717705 1071017664 /nfs/dbraw/zinc/01/76/64/1071017664.db2.gz ISDKUBOHTRFAOI-SFHVURJKSA-N 1 0 450.027 3.961 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001313717942 1071017762 /nfs/dbraw/zinc/01/77/62/1071017762.db2.gz HFERKLHJQLVDSA-GGAORHGYSA-N 1 0 459.610 3.603 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001313718170 1071018474 /nfs/dbraw/zinc/01/84/74/1071018474.db2.gz NEOKARRGYBSKRN-JTAQYXEDSA-N 1 0 457.619 3.774 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313718350 1071018625 /nfs/dbraw/zinc/01/86/25/1071018625.db2.gz XOLNWSAVRGUKJK-GOSISDBHSA-N 1 0 461.479 3.647 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001313718558 1071018747 /nfs/dbraw/zinc/01/87/47/1071018747.db2.gz RVZCMCQIULLAKB-RXVVDRJESA-N 1 0 497.562 3.928 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2cccn2C)n1CCC[NH+]1CCCCC1 ZINC001314762466 1071020384 /nfs/dbraw/zinc/02/03/84/1071020384.db2.gz RUMRYTMMDJLWPO-UHFFFAOYSA-N 1 0 464.540 3.548 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2ccc[nH]2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314762577 1071020419 /nfs/dbraw/zinc/02/04/19/1071020419.db2.gz WNYKQPHOXPTYRN-UHFFFAOYSA-N 1 0 464.540 3.784 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001313719879 1071020642 /nfs/dbraw/zinc/02/06/42/1071020642.db2.gz XUDBQETXRZKTHU-BXXSPATCSA-N 1 0 477.694 3.560 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001313722094 1071025586 /nfs/dbraw/zinc/02/55/86/1071025586.db2.gz XBRJLAMGHZZMQK-QRWLVFNGSA-N 1 0 490.008 3.607 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cc(C)nc3ccccc32)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001313720255 1071021473 /nfs/dbraw/zinc/02/14/73/1071021473.db2.gz IXXJVXAYVDDOOK-OYRHEFFESA-N 1 0 466.630 3.774 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001313721086 1071022750 /nfs/dbraw/zinc/02/27/50/1071022750.db2.gz DNLFOJPYXOALOZ-PMAPCBKXSA-N 1 0 492.462 3.822 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2cccs2)CC1 ZINC001313723939 1071029682 /nfs/dbraw/zinc/02/96/82/1071029682.db2.gz KEFMVFNOHRBXIZ-HXUWFJFHSA-N 1 0 468.671 3.996 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001313724234 1071030108 /nfs/dbraw/zinc/03/01/08/1071030108.db2.gz PGOHYLOLJAZSGK-GOSISDBHSA-N 1 0 477.600 3.999 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@@H](C)C1 ZINC001313722878 1071027816 /nfs/dbraw/zinc/02/78/16/1071027816.db2.gz GXLYERNAQRRGQP-WOJBJXKFSA-N 1 0 476.691 3.552 20 0 JHADRO CN(Cc1ccsc1)c1nnc(-c2cc(Br)cn2C)n1CC[NH+]1CCSCC1 ZINC001314766053 1071028051 /nfs/dbraw/zinc/02/80/51/1071028051.db2.gz LDRWABQWSPYTLS-UHFFFAOYSA-N 1 0 481.489 3.793 20 0 JHADRO CN(Cc1ccsc1)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+](C)C)CCCCC1 ZINC001314766335 1071028116 /nfs/dbraw/zinc/02/81/16/1071028116.db2.gz OEHQVLGBHGDSBX-UHFFFAOYSA-N 1 0 453.616 3.888 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001313723145 1071028337 /nfs/dbraw/zinc/02/83/37/1071028337.db2.gz AGNUPDJYMNEJRF-OAQYLSRUSA-N 1 0 480.632 3.707 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001313727323 1071036812 /nfs/dbraw/zinc/03/68/12/1071036812.db2.gz PEUOUHLPKZNCNO-KURKYZTESA-N 1 0 480.451 3.964 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCO1 ZINC001313725495 1071032520 /nfs/dbraw/zinc/03/25/20/1071032520.db2.gz KKAXHPVCBQFEGY-QHAWAJNXSA-N 1 0 478.682 3.738 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001313725765 1071033583 /nfs/dbraw/zinc/03/35/83/1071033583.db2.gz QTDJGXSOIUXVBT-GGAORHGYSA-N 1 0 474.694 3.521 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001313725963 1071034178 /nfs/dbraw/zinc/03/41/78/1071034178.db2.gz VXDGTQVCRCKZLL-FYYLOGMGSA-N 1 0 482.673 3.643 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001313726376 1071035151 /nfs/dbraw/zinc/03/51/51/1071035151.db2.gz HSLTYXFGYQKIPS-DUXKGJEZSA-N 1 0 456.635 3.590 20 0 JHADRO CC[NH+](CC)CC[C@@H](NC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccccc1 ZINC001309976951 1071035726 /nfs/dbraw/zinc/03/57/26/1071035726.db2.gz SCZVFZGHHOYZTN-OAQYLSRUSA-N 1 0 458.006 3.871 20 0 JHADRO C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC001309993693 1071043308 /nfs/dbraw/zinc/04/33/08/1071043308.db2.gz KJFFACQMGLUKFN-TZIWHRDSSA-N 1 0 456.612 3.649 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[NH+](C(C)C)C(C)C ZINC001313730174 1071044070 /nfs/dbraw/zinc/04/40/70/1071044070.db2.gz FNIHTWQWZHNZQP-GOSISDBHSA-N 1 0 483.629 3.604 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313731408 1071047060 /nfs/dbraw/zinc/04/70/60/1071047060.db2.gz LAMAAKLSYAKXGF-NUJGCVRESA-N 1 0 495.093 3.858 20 0 JHADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC001310003909 1071051935 /nfs/dbraw/zinc/05/19/35/1071051935.db2.gz DHRXOWHKPAFJFH-UHFFFAOYSA-N 1 0 454.571 3.770 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313736118 1071057419 /nfs/dbraw/zinc/05/74/19/1071057419.db2.gz HKBWDRLZGGLSDN-UHFFFAOYSA-N 1 0 483.636 3.541 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001313736339 1071058001 /nfs/dbraw/zinc/05/80/01/1071058001.db2.gz WBSKUWSVCBHRGU-SIKLNZKXSA-N 1 0 454.619 3.529 20 0 JHADRO C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001310018838 1071063478 /nfs/dbraw/zinc/06/34/78/1071063478.db2.gz HPLVCTAXOIXLKV-XLIONFOSSA-N 1 0 453.553 3.795 20 0 JHADRO CCN(Cc1ccc(OC)cc1OC)c1nnc(-c2cccn2C)n1CC[NH+]1CCCCC1 ZINC001313737583 1071060971 /nfs/dbraw/zinc/06/09/71/1071060971.db2.gz HYNZLHIRNCAIMF-UHFFFAOYSA-N 1 0 452.603 3.813 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCc2cc(Br)ccn2)CC1 ZINC001310020488 1071065481 /nfs/dbraw/zinc/06/54/81/1071065481.db2.gz WLLUBUXEKFDYFA-UHFFFAOYSA-N 1 0 452.784 3.961 20 0 JHADRO CN(C[C@H]1CC=CCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001314789598 1071066346 /nfs/dbraw/zinc/06/63/46/1071066346.db2.gz AQSIDJJORRHNIX-PCCBWWKXSA-N 1 0 490.718 3.890 20 0 JHADRO CN(C[C@@H]1CC=CCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314789507 1071066519 /nfs/dbraw/zinc/06/65/19/1071066519.db2.gz YYHJDWUQVNBXRP-WOJBJXKFSA-N 1 0 451.619 3.838 20 0 JHADRO CN(CC1CCC1)c1nnc(-c2ccc(F)cc2Br)n1CCC[NH+]1CCC(O)CC1 ZINC001314792166 1071069422 /nfs/dbraw/zinc/06/94/22/1071069422.db2.gz PKJOEEGDZJNSJD-UHFFFAOYSA-N 1 0 480.426 3.930 20 0 JHADRO CN(CC1CCC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314790475 1071067665 /nfs/dbraw/zinc/06/76/65/1071067665.db2.gz GTNYHWCLILXMQC-LEWJYISDSA-N 1 0 490.693 3.943 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001313745731 1071073961 /nfs/dbraw/zinc/07/39/61/1071073961.db2.gz JYUSUQAGNNXMPB-VXKWHMMOSA-N 1 0 456.610 3.905 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc(Cc2ccccn2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314802509 1071084988 /nfs/dbraw/zinc/08/49/88/1071084988.db2.gz MPDQJYYFNKEZCB-DHIUTWEWSA-N 1 0 452.578 3.711 20 0 JHADRO Cc1cc(NC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)ccc1N1CC[NH+](C)CC1 ZINC001310060021 1071090676 /nfs/dbraw/zinc/09/06/76/1071090676.db2.gz OPFYCLSROQYKRQ-UHFFFAOYSA-N 1 0 457.619 3.826 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccccc2OC)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001313751672 1071086969 /nfs/dbraw/zinc/08/69/69/1071086969.db2.gz QGYDZGRELACKBU-FQEVSTJZSA-N 1 0 451.619 3.978 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(Br)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314805206 1071091049 /nfs/dbraw/zinc/09/10/49/1071091049.db2.gz SDHVMKATTMOSLP-OXJNMPFZSA-N 1 0 462.436 3.911 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc([C@H]2CCCCO2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001313752864 1071089966 /nfs/dbraw/zinc/08/99/66/1071089966.db2.gz MAUBSHAEQIZSLT-DHIUTWEWSA-N 1 0 467.618 3.591 20 0 JHADRO Cc1cc(NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)ccc1N1CC[NH+](C)CC1 ZINC001310058931 1071090056 /nfs/dbraw/zinc/09/00/56/1071090056.db2.gz FSGPIJMKURUTEI-NRFANRHFSA-N 1 0 459.635 3.904 20 0 JHADRO CCN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc(-c2cccnc2)n1CCC[N@H+](C)C(C)C ZINC001313756709 1071099489 /nfs/dbraw/zinc/09/94/89/1071099489.db2.gz HFDFFCYRQULMAS-UHFFFAOYSA-N 1 0 466.615 3.807 20 0 JHADRO CCN(CC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313757945 1071103258 /nfs/dbraw/zinc/10/32/58/1071103258.db2.gz AIZBJUXIMYKAMS-IYBDPMFKSA-N 1 0 465.440 3.771 20 0 JHADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1CCN1CCOC(C)(C)C1 ZINC001314812166 1071108100 /nfs/dbraw/zinc/10/81/00/1071108100.db2.gz SWMNVBIYTAOXQD-HSZRJFAPSA-N 1 0 468.690 3.645 20 0 JHADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc(-c2cnn(C)c2)n1CC(F)(F)Br ZINC001314812709 1071110726 /nfs/dbraw/zinc/11/07/26/1071110726.db2.gz ZMWPTHJEZRGZQC-KRWDZBQOSA-N 1 0 494.388 3.625 20 0 JHADRO CN(C[C@H]1CCOC1)c1nnc(COc2ccccc2F)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314812615 1071110782 /nfs/dbraw/zinc/11/07/82/1071110782.db2.gz ANVBQVMFWKYXJR-XLIONFOSSA-N 1 0 459.591 3.833 20 0 JHADRO C[C@H]1CN(Cc2csc(NC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)n2)C[C@H](C)O1 ZINC001310087910 1071111623 /nfs/dbraw/zinc/11/16/23/1071111623.db2.gz PMHOQRIJMKWYOM-OALUTQOASA-N 1 0 457.644 3.881 20 0 JHADRO C[C@@H]1CN(Cc2csc(NC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)n2)C[C@@H](C)O1 ZINC001310087911 1071111679 /nfs/dbraw/zinc/11/16/79/1071111679.db2.gz PMHOQRIJMKWYOM-RTBURBONSA-N 1 0 457.644 3.881 20 0 JHADRO CCN(CC1CCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001313768560 1071117110 /nfs/dbraw/zinc/11/71/10/1071117110.db2.gz RIHPIUMGXDAVFZ-SIKLNZKXSA-N 1 0 473.687 3.936 20 0 JHADRO CN(C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1)C(=O)OC(C)(C)C ZINC001314813513 1071114962 /nfs/dbraw/zinc/11/49/62/1071114962.db2.gz SIUFVAQARZKWMY-SFTDATJTSA-N 1 0 490.693 3.597 20 0 JHADRO 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CC[N@H+](CCn1c(C2CCC2)nnc1N1CCCN(C(=O)C(C)C)CC1)CCC(F)(F)F ZINC001313814468 1071257654 /nfs/dbraw/zinc/25/76/54/1071257654.db2.gz GGBYOWTZLLZGIB-UHFFFAOYSA-N 1 0 458.573 3.515 20 0 JHADRO CC[N@H+](CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C1CCCCC1)C(C)C ZINC001313814182 1071256762 /nfs/dbraw/zinc/25/67/62/1071256762.db2.gz IXBIDBVEVKSRRR-UHFFFAOYSA-N 1 0 454.667 3.951 20 0 JHADRO CC[N@H+](CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(CC)C1)C(C)C ZINC001313814180 1071257074 /nfs/dbraw/zinc/25/70/74/1071257074.db2.gz IWCPKOZGUUFWEG-RUZDIDTESA-N 1 0 454.667 3.809 20 0 JHADRO C[N@H+](CCn1c(-c2cnccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)C1CCCCC1 ZINC001314861302 1071252632 /nfs/dbraw/zinc/25/26/32/1071252632.db2.gz RRHBBMQFMXOSSK-SFHVURJKSA-N 1 0 467.540 3.547 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(Cc2cccnc2)n1CC[N@H+](C)Cc1ccccc1 ZINC001314862928 1071258047 /nfs/dbraw/zinc/25/80/47/1071258047.db2.gz JABIBUYBAUIBDA-UHFFFAOYSA-N 1 0 498.557 3.785 20 0 JHADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc(NC(=O)NC[C@@H]4CCCO4)cc3)C2)CC1 ZINC001310276267 1071260147 /nfs/dbraw/zinc/26/01/47/1071260147.db2.gz SDICFSNLISEQNF-REWPJTCUSA-N 1 0 457.619 3.963 20 0 JHADRO CC[N@H+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCO1)C(C)C ZINC001313815170 1071260631 /nfs/dbraw/zinc/26/06/31/1071260631.db2.gz TXXCWUYSTCWTQT-LEWJYISDSA-N 1 0 478.682 3.738 20 0 JHADRO CC[N@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC(n2cc(Cl)cn2)CC1)CCC(F)(F)F ZINC001313815576 1071261452 /nfs/dbraw/zinc/26/14/52/1071261452.db2.gz QNGGZBDMQABFQO-INIZCTEOSA-N 1 0 489.974 3.748 20 0 JHADRO CN(CCn1c(-c2ccccn2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC001314863874 1071261790 /nfs/dbraw/zinc/26/17/90/1071261790.db2.gz WZZXHTQWMRECTK-HXUWFJFHSA-N 1 0 469.634 3.519 20 0 JHADRO C[N@H+](CCn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001314865770 1071267199 /nfs/dbraw/zinc/26/71/99/1071267199.db2.gz WZGIGDLKYUBUJG-JOCHJYFZSA-N 1 0 468.646 3.856 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C1CC1 ZINC001313818631 1071269328 /nfs/dbraw/zinc/26/93/28/1071269328.db2.gz NUQAIRACKTYGSJ-UHFFFAOYSA-N 1 0 473.065 3.701 20 0 JHADRO Cc1cc(NC(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)ccc1C(N)=O ZINC001310285871 1071270421 /nfs/dbraw/zinc/27/04/21/1071270421.db2.gz LQBBFHHNUFDFFE-UHFFFAOYSA-N 1 0 455.990 3.566 20 0 JHADRO CC[N@H+](CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)C(C)C ZINC001313819016 1071271148 /nfs/dbraw/zinc/27/11/48/1071271148.db2.gz FLKMRBUMIKJNDP-AOJNWGRGSA-N 1 0 455.647 3.566 20 0 JHADRO COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)CC3 ZINC001310288558 1071272768 /nfs/dbraw/zinc/27/27/68/1071272768.db2.gz UGOKZCPAEXPMPZ-UHFFFAOYSA-N 1 0 450.539 3.875 20 0 JHADRO CC[N@H+](CCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C)CC1)CCC(F)(F)F ZINC001313819248 1071272835 /nfs/dbraw/zinc/27/28/35/1071272835.db2.gz KDGAYDIBBMEFPO-UHFFFAOYSA-N 1 0 494.610 3.710 20 0 JHADRO Cn1cc(Nc2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)Cc2ccccc2)cn1 ZINC001314867383 1071273827 /nfs/dbraw/zinc/27/38/27/1071273827.db2.gz MFQGKLDTTBMIDH-UHFFFAOYSA-N 1 0 455.364 3.645 20 0 JHADRO C[N@H+](CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC001314867406 1071273910 /nfs/dbraw/zinc/27/39/10/1071273910.db2.gz XVFMULLZRVYYNN-FQEVSTJZSA-N 1 0 482.673 3.731 20 0 JHADRO CN(CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001314865931 1071268974 /nfs/dbraw/zinc/26/89/74/1071268974.db2.gz NPYXHAODTXLYPU-FGZHOGPDSA-N 1 0 494.606 3.767 20 0 JHADRO CC[N@H+](CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(N(C)C(C)=O)CC1)C(C)C ZINC001313820757 1071279759 /nfs/dbraw/zinc/27/97/59/1071279759.db2.gz UZPDCQYXNUOYPO-UHFFFAOYSA-N 1 0 470.662 3.651 20 0 JHADRO CC[N@H+](CCn1c(CCCc2ccccc2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1)C(C)C ZINC001313819796 1071275273 /nfs/dbraw/zinc/27/52/73/1071275273.db2.gz RBWIORBUKBLMGI-HHHXNRCGSA-N 1 0 469.674 3.958 20 0 JHADRO CC[N@H+](CCn1c(CC2CCCC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)CCC(F)(F)F ZINC001313820057 1071276045 /nfs/dbraw/zinc/27/60/45/1071276045.db2.gz SLUQTYGDWAFDHE-WOJBJXKFSA-N 1 0 473.584 3.669 20 0 JHADRO CC[N@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1nncn1C)C(C)C ZINC001313820947 1071280382 /nfs/dbraw/zinc/28/03/82/1071280382.db2.gz YGSAGCSTXAXXRV-HXUWFJFHSA-N 1 0 473.025 3.711 20 0 JHADRO CN(CCn1cccn1)c1nnc(-c2cccn2C)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001314869089 1071278117 /nfs/dbraw/zinc/27/81/17/1071278117.db2.gz YFUZQTIRATXBII-OAQYLSRUSA-N 1 0 452.994 3.573 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccccc2F)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1)C(C)C ZINC001313821171 1071281420 /nfs/dbraw/zinc/28/14/20/1071281420.db2.gz UVFGPTYDRXZBLL-UHFFFAOYSA-N 1 0 483.636 3.665 20 0 JHADRO CC[N@H+](CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1)C(C)C ZINC001313821328 1071282346 /nfs/dbraw/zinc/28/23/46/1071282346.db2.gz BFFGGFVQOJLTGK-UHFFFAOYSA-N 1 0 497.688 3.624 20 0 JHADRO CC[N@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)C(C)C ZINC001313822331 1071285558 /nfs/dbraw/zinc/28/55/58/1071285558.db2.gz PQCZUPRQTMQMBA-LJQANCHMSA-N 1 0 476.691 3.784 20 0 JHADRO CC[N@H+](CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1)C1CC1 ZINC001313821854 1071283982 /nfs/dbraw/zinc/28/39/82/1071283982.db2.gz GXKDARDEZRBGGX-FQEVSTJZSA-N 1 0 467.536 3.726 20 0 JHADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC001310308258 1071289944 /nfs/dbraw/zinc/28/99/44/1071289944.db2.gz VKBBJPWCMKPHAR-UHFFFAOYSA-N 1 0 457.388 3.680 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(-c2cccnc2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001314876508 1071292967 /nfs/dbraw/zinc/29/29/67/1071292967.db2.gz TYFHVHCFWFZFPA-UHFFFAOYSA-N 1 0 458.676 3.953 20 0 JHADRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc3cccnc32)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001313825846 1071294402 /nfs/dbraw/zinc/29/44/02/1071294402.db2.gz XHXYLXXECWJHMO-FQRUVTKNSA-N 1 0 498.697 3.875 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1)C(C)C ZINC001313827553 1071299289 /nfs/dbraw/zinc/29/92/89/1071299289.db2.gz ZJBJKODQQHZLLZ-IBGZPJMESA-N 1 0 464.655 3.696 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314879534 1071300984 /nfs/dbraw/zinc/30/09/84/1071300984.db2.gz XJEOZQXVGWAQQG-UHFFFAOYSA-N 1 0 498.720 3.825 20 0 JHADRO CN(CCOc1cccc(Cl)c1)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+](C)C)CCCC1 ZINC001314880080 1071302600 /nfs/dbraw/zinc/30/26/00/1071302600.db2.gz SGHDREWYIMCUDU-UHFFFAOYSA-N 1 0 498.031 3.968 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3cccs3)[NH+](C)C)CCO2)cn1 ZINC001313833076 1071307274 /nfs/dbraw/zinc/30/72/74/1071307274.db2.gz QAPVGALWWZAEGC-RTBURBONSA-N 1 0 457.648 3.734 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(-c4ccccc4F)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)cn1 ZINC001313834226 1071310991 /nfs/dbraw/zinc/31/09/91/1071310991.db2.gz LPIUQQFWVKXKSM-OFNKIYASSA-N 1 0 469.609 3.855 20 0 JHADRO CN(CCOc1ccccc1F)c1nnc(-c2cnccn2)n1CC1([NH+](C)C)CCCCC1 ZINC001314883907 1071312037 /nfs/dbraw/zinc/31/20/37/1071312037.db2.gz NTHUQUGFLVAHSU-UHFFFAOYSA-N 1 0 453.566 3.654 20 0 JHADRO CCn1cc(CN(C)c2nnc(-c3cccc(OC)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)cn1 ZINC001313834779 1071312186 /nfs/dbraw/zinc/31/21/86/1071312186.db2.gz BFKPDMZMMXBMDO-FQEVSTJZSA-N 1 0 451.619 3.927 20 0 JHADRO CN(CCOCC1CC1)c1nnc(C(C)(C)C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001314885006 1071313194 /nfs/dbraw/zinc/31/31/94/1071313194.db2.gz DVGAPHXIKQSGKY-QHCPKHFHSA-N 1 0 455.647 3.730 20 0 JHADRO CCn1cc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cn1 ZINC001313835296 1071313723 /nfs/dbraw/zinc/31/37/23/1071313723.db2.gz GTICXKDGZCDSHB-LJQANCHMSA-N 1 0 472.037 3.952 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3C[C@H](CC(C)C)[NH+](C)C)CCO2)cn1 ZINC001313836361 1071316083 /nfs/dbraw/zinc/31/60/83/1071316083.db2.gz SWGNAOXOTIURBS-SFTDATJTSA-N 1 0 487.052 3.764 20 0 JHADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CSCCS1 ZINC001314891664 1071321590 /nfs/dbraw/zinc/32/15/90/1071321590.db2.gz AAXAWWJKJWIEOX-CZTZKLFOSA-N 1 0 491.775 3.968 20 0 JHADRO CCn1cc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC[NH+](C(C)C)CC2)cn1 ZINC001313841259 1071326023 /nfs/dbraw/zinc/32/60/23/1071326023.db2.gz SGKAVUDHVHRFRR-SFHVURJKSA-N 1 0 458.010 3.867 20 0 JHADRO CCn1cc(Cn2c(Cc3ccccc3OC)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cn1 ZINC001313846266 1071336430 /nfs/dbraw/zinc/33/64/30/1071336430.db2.gz HPMNYXQQSCFONB-UHFFFAOYSA-N 1 0 465.646 3.700 20 0 JHADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001310360220 1071338580 /nfs/dbraw/zinc/33/85/80/1071338580.db2.gz WVHRSCVFSQSHTC-UHFFFAOYSA-N 1 0 455.506 3.734 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314911383 1071351177 /nfs/dbraw/zinc/35/11/77/1071351177.db2.gz HBVWLCWRJWPRDE-QHCPKHFHSA-N 1 0 482.595 3.935 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2COCCO2)C[C@@H]1C ZINC001313858557 1071360360 /nfs/dbraw/zinc/36/03/60/1071360360.db2.gz BOEIZWPFCWGNHU-ZOBUZTSGSA-N 1 0 498.853 3.695 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001314918115 1071361172 /nfs/dbraw/zinc/36/11/72/1071361172.db2.gz PCETVEZNFIBVMI-FQEVSTJZSA-N 1 0 471.650 3.653 20 0 JHADRO Cc1ccc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1N1CCOC1=O ZINC001310389924 1071362650 /nfs/dbraw/zinc/36/26/50/1071362650.db2.gz VFEPFKOEBPZLJW-KDURUIRLSA-N 1 0 452.555 3.883 20 0 JHADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001314924142 1071366627 /nfs/dbraw/zinc/36/66/27/1071366627.db2.gz LTFZJADZCNRVGQ-NJDAHSKKSA-N 1 0 488.721 3.548 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001314928931 1071372121 /nfs/dbraw/zinc/37/21/21/1071372121.db2.gz QMQMDBIGSLTUEA-FXAWDEMLSA-N 1 0 490.599 3.759 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2cccc(C)c2)C[C@@H]1C ZINC001313860215 1071368511 /nfs/dbraw/zinc/36/85/11/1071368511.db2.gz JFRGARDWGMAXDL-MCEYFSPLSA-N 1 0 471.646 3.625 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)COC)C[C@@H]1C ZINC001313861131 1071372618 /nfs/dbraw/zinc/37/26/18/1071372618.db2.gz LUDQAPKCKUPIHD-JKSUJKDBSA-N 1 0 467.456 3.638 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2ccc(F)cc2)C[C@@H]1C ZINC001313861889 1071375484 /nfs/dbraw/zinc/37/54/84/1071375484.db2.gz RQPKMPIMLJITMR-RBUKOAKNSA-N 1 0 479.604 3.961 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)ccc3Br)n2CCc2cn[nH]c2)C[C@@H]1C ZINC001313863563 1071382023 /nfs/dbraw/zinc/38/20/23/1071382023.db2.gz WHPHTESNQFFPDY-JKSUJKDBSA-N 1 0 488.434 3.601 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313863018 1071379110 /nfs/dbraw/zinc/37/91/10/1071379110.db2.gz UVVGJVLLYFSVAF-YADHBBJMSA-N 1 0 498.672 3.652 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3csc(N4CCOCC4)n3)n2CCSCC(C)C)C[C@H]1C ZINC001313863060 1071380305 /nfs/dbraw/zinc/38/03/05/1071380305.db2.gz JIJJECCROKGKMJ-RTBURBONSA-N 1 0 493.747 3.546 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313863962 1071384074 /nfs/dbraw/zinc/38/40/74/1071384074.db2.gz FFZDFMWUFMXKBL-OFQRWUPVSA-N 1 0 460.932 3.880 20 0 JHADRO CSc1cnn(-c2ccccc2)c1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001310426262 1071384417 /nfs/dbraw/zinc/38/44/17/1071384417.db2.gz IJFLLHRBKWIMFB-UHFFFAOYSA-N 1 0 451.596 3.873 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313864221 1071386468 /nfs/dbraw/zinc/38/64/68/1071386468.db2.gz BKHLEZUCSIEXMF-SJORKVTESA-N 1 0 458.598 3.556 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CCC(C)C)c2ccccc2c1=O ZINC001313864637 1071387437 /nfs/dbraw/zinc/38/74/37/1071387437.db2.gz MKBHHTQZJOSPOJ-RTBURBONSA-N 1 0 451.619 3.640 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314937476 1071387839 /nfs/dbraw/zinc/38/78/39/1071387839.db2.gz WIRTYUUIDTVUDM-OAQYLSRUSA-N 1 0 496.059 3.867 20 0 JHADRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)CC1 ZINC001310445244 1071394587 /nfs/dbraw/zinc/39/45/87/1071394587.db2.gz RANKKCSOUCUKTL-UHFFFAOYSA-N 1 0 454.287 3.922 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001314940700 1071392834 /nfs/dbraw/zinc/39/28/34/1071392834.db2.gz NYEXLUHCTOUMBS-OAQYLSRUSA-N 1 0 481.689 3.517 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccnc(C(F)(F)F)c2)C[C@@H]1C ZINC001313865031 1071390472 /nfs/dbraw/zinc/39/04/72/1071390472.db2.gz WEMUTUURUZXWKZ-IUKKYPGJSA-N 1 0 496.578 3.700 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CCn2cc(Cl)cn2)C[C@H]1C ZINC001313866248 1071395412 /nfs/dbraw/zinc/39/54/12/1071395412.db2.gz FQLWBZJHFFNPNS-UXHICEINSA-N 1 0 456.038 3.922 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Oc2cccc(OC)c2)C[C@H]1C ZINC001313867064 1071397248 /nfs/dbraw/zinc/39/72/48/1071397248.db2.gz JEZUIKHKPQXTLT-NVJIOZQYSA-N 1 0 457.619 3.915 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2(SC)CCOCC2)C[C@@H]1C ZINC001313867152 1071397984 /nfs/dbraw/zinc/39/79/84/1071397984.db2.gz LZFAWCWQUUHSGT-OALUTQOASA-N 1 0 489.686 3.793 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3)n2CCNc2nccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313867165 1071398853 /nfs/dbraw/zinc/39/88/53/1071398853.db2.gz MEZSNJJBAQDXRK-IRXDYDNUSA-N 1 0 474.535 3.785 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3)n2CCNc2nccc(C(F)(F)F)n2)C[C@H]1C ZINC001313867164 1071398942 /nfs/dbraw/zinc/39/89/42/1071398942.db2.gz MEZSNJJBAQDXRK-IAGOWNOFSA-N 1 0 474.535 3.785 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2C[C@@H]2C)C[C@@H]1C ZINC001313868680 1071405295 /nfs/dbraw/zinc/40/52/95/1071405295.db2.gz NAIXIAAWWBYISG-IWFBPKFRSA-N 1 0 460.667 3.968 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCc2ccccn2)C[C@@H]1C ZINC001313869505 1071407453 /nfs/dbraw/zinc/40/74/53/1071407453.db2.gz PVPSWONELRMYRY-OALUTQOASA-N 1 0 450.587 3.519 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313869589 1071409333 /nfs/dbraw/zinc/40/93/33/1071409333.db2.gz QKSNWUMZMDAJHG-ROUUACIJSA-N 1 0 484.670 3.813 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2Cc2ccnc(OC(F)F)c2)C[C@H]1C ZINC001313870602 1071414209 /nfs/dbraw/zinc/41/42/09/1071414209.db2.gz DZDRHNQFMIVKPV-SJORKVTESA-N 1 0 474.531 3.972 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCc2nccs2)C[C@@H]1C ZINC001313870633 1071414222 /nfs/dbraw/zinc/41/42/22/1071414222.db2.gz VEMCLPKJFTXSRX-OALUTQOASA-N 1 0 454.644 3.690 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCCN(C)c2ccccc2F)C[C@@H]1C ZINC001313870873 1071415225 /nfs/dbraw/zinc/41/52/25/1071415225.db2.gz FVROWLYCRHGCCS-VQTJNVASSA-N 1 0 451.594 3.925 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001313870738 1071415243 /nfs/dbraw/zinc/41/52/43/1071415243.db2.gz VVYPZPXLZZFSKJ-WSTZPKSXSA-N 1 0 453.553 3.950 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001313870899 1071415812 /nfs/dbraw/zinc/41/58/12/1071415812.db2.gz FXPVRXPFIDLOHS-QZTJIDSGSA-N 1 0 465.568 3.533 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCSCCCO)C[C@@H]1C ZINC001313871680 1071417534 /nfs/dbraw/zinc/41/75/34/1071417534.db2.gz GYDXCBMWUFPLDT-ROUUACIJSA-N 1 0 452.068 3.557 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313872616 1071421914 /nfs/dbraw/zinc/42/19/14/1071421914.db2.gz JOAYQQWGMKRLBA-ROUUACIJSA-N 1 0 468.568 3.757 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)cc3)n2CCCNC(=O)c2occc2C)C[C@@H]1C ZINC001313872991 1071423931 /nfs/dbraw/zinc/42/39/31/1071423931.db2.gz BPIULJSSRVOVCF-FCHUYYIVSA-N 1 0 494.640 3.806 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2scnc2C)C[C@@H]1C ZINC001313873071 1071424025 /nfs/dbraw/zinc/42/40/25/1071424025.db2.gz YQQKSWXKJVFDOH-DLBZAZTESA-N 1 0 470.643 3.889 20 0 JHADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1)C[C@@H]1CCCCO1 ZINC001310489043 1071427615 /nfs/dbraw/zinc/42/76/15/1071427615.db2.gz BJCKPNZGMPASQZ-QPPBQGQZSA-N 1 0 456.631 3.989 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2ccnc2C)C[C@H]1C ZINC001313874413 1071428760 /nfs/dbraw/zinc/42/87/60/1071428760.db2.gz NVGCSYNDNLJVIX-MSOLQXFVSA-N 1 0 457.573 3.661 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2(CC)CCOCC2)C[C@H]1C ZINC001313874810 1071430539 /nfs/dbraw/zinc/43/05/39/1071430539.db2.gz KGZSUUFZVOYVSY-NHCUHLMSSA-N 1 0 471.646 3.991 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314956631 1071430653 /nfs/dbraw/zinc/43/06/53/1071430653.db2.gz BFHCWTBRZPSUDK-OALUTQOASA-N 1 0 475.081 3.851 20 0 JHADRO CCN1C[C@H](CN(C)c2nnc([C@H]3CCOC3)n2CC[NH+](C(C)C)C(C)C)Oc2ccccc21 ZINC001313875267 1071432749 /nfs/dbraw/zinc/43/27/49/1071432749.db2.gz FPLYQNQDCDNNAV-VXKWHMMOSA-N 1 0 470.662 3.625 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001313876405 1071437469 /nfs/dbraw/zinc/43/74/69/1071437469.db2.gz JLMNSIORRPLYPO-UNMCSNQZSA-N 1 0 482.673 3.824 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001313876401 1071437522 /nfs/dbraw/zinc/43/75/22/1071437522.db2.gz JLMNSIORRPLYPO-IRLDBZIGSA-N 1 0 482.673 3.824 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Br)s3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001313876253 1071437532 /nfs/dbraw/zinc/43/75/32/1071437532.db2.gz ITPXLTGORHTDER-HNNXBMFYSA-N 1 0 495.491 3.558 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2snnc2C)C[C@H]1C ZINC001313876992 1071439805 /nfs/dbraw/zinc/43/98/05/1071439805.db2.gz QAJODEGOSROPQS-MSOLQXFVSA-N 1 0 455.632 3.601 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313875600 1071435305 /nfs/dbraw/zinc/43/53/05/1071435305.db2.gz AWVRYIOJABMKRY-OYRHEFFESA-N 1 0 479.572 3.519 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313876128 1071436631 /nfs/dbraw/zinc/43/66/31/1071436631.db2.gz QZMVCUBPUZUBCY-MSOLQXFVSA-N 1 0 470.559 3.811 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001313877758 1071442422 /nfs/dbraw/zinc/44/24/22/1071442422.db2.gz UVTJAZCEMJAHGA-UHFFFAOYSA-N 1 0 497.688 3.620 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001313877470 1071442435 /nfs/dbraw/zinc/44/24/35/1071442435.db2.gz UKVPFZDFJRTPEU-FQEVSTJZSA-N 1 0 459.038 3.683 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001313877893 1071443152 /nfs/dbraw/zinc/44/31/52/1071443152.db2.gz XKHKREJINDACDL-ZWKOTPCHSA-N 1 0 475.037 3.996 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001313877207 1071440902 /nfs/dbraw/zinc/44/09/02/1071440902.db2.gz RKBHYXPFFYRCNC-QUCCMNQESA-N 1 0 489.064 3.895 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC001313879074 1071447063 /nfs/dbraw/zinc/44/70/63/1071447063.db2.gz YPNTVSZTABFEAK-BHIFYINESA-N 1 0 497.688 3.830 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313879075 1071447770 /nfs/dbraw/zinc/44/77/70/1071447770.db2.gz YPNTVSZTABFEAK-FDFHNCONSA-N 1 0 497.688 3.830 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@H+](C)C(C)C)C1 ZINC001314966294 1071448976 /nfs/dbraw/zinc/44/89/76/1071448976.db2.gz PMDOJXWKRJRHOW-OAQYLSRUSA-N 1 0 497.869 3.664 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C)C2)CC1 ZINC001313879585 1071449935 /nfs/dbraw/zinc/44/99/35/1071449935.db2.gz GOISCWZYLUVIQP-CTNGQTDRSA-N 1 0 476.666 3.555 20 0 JHADRO CC[NH+]1CCC(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001313879538 1071450010 /nfs/dbraw/zinc/45/00/10/1071450010.db2.gz DXQCUYVOQIYKFU-FQEVSTJZSA-N 1 0 490.693 3.740 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3CCCCO3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001313879424 1071450060 /nfs/dbraw/zinc/45/00/60/1071450060.db2.gz BMLLXEFZWDVLOQ-GOSISDBHSA-N 1 0 459.557 3.535 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccnc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001313879710 1071450625 /nfs/dbraw/zinc/45/06/25/1071450625.db2.gz ATHWPADOVQWOEX-OAQYLSRUSA-N 1 0 469.634 3.566 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001314967297 1071452751 /nfs/dbraw/zinc/45/27/51/1071452751.db2.gz YIUWYJUBBAUGHP-WXTAPIANSA-N 1 0 452.647 3.688 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCC2CC[NH+](CC)CC2)C1)CC(F)(F)F ZINC001313880983 1071453138 /nfs/dbraw/zinc/45/31/38/1071453138.db2.gz DUXUCVSTCFTOEF-NHCUHLMSSA-N 1 0 486.627 3.962 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3F)nnc2N2CCC(NC(=O)C(C)C)CC2)CC1 ZINC001313880769 1071453222 /nfs/dbraw/zinc/45/32/22/1071453222.db2.gz MURGKCLCHDJLNR-UHFFFAOYSA-N 1 0 470.637 3.947 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccc4cccnc43)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001313881088 1071454015 /nfs/dbraw/zinc/45/40/15/1071454015.db2.gz PIIRYHVRCBNMAB-UHFFFAOYSA-N 1 0 477.657 3.824 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccnc3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001313881043 1071454072 /nfs/dbraw/zinc/45/40/72/1071454072.db2.gz NYXHUBTVHRKFRY-UGKGYDQZSA-N 1 0 483.661 3.812 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001314967876 1071454189 /nfs/dbraw/zinc/45/41/89/1071454189.db2.gz BTEJYLXXPHWIAD-HFJWLAOPSA-N 1 0 495.697 3.726 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CC(F)(F)CO2)C[C@H]1C ZINC001313881310 1071455121 /nfs/dbraw/zinc/45/51/21/1071455121.db2.gz CANWPBRNWPYFQO-RHQZKXFESA-N 1 0 455.594 3.540 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001313881400 1071455252 /nfs/dbraw/zinc/45/52/52/1071455252.db2.gz KPVZJTRDMIPPGN-GCJKJVERSA-N 1 0 462.038 3.840 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cnn(C)c3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC001313881661 1071456142 /nfs/dbraw/zinc/45/61/42/1071456142.db2.gz VBCNCKLVHVQBNV-UHFFFAOYSA-N 1 0 485.036 3.529 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccc(OC)cc3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001313881982 1071456550 /nfs/dbraw/zinc/45/65/50/1071456550.db2.gz RBNIDWXLVCPWJN-HXUWFJFHSA-N 1 0 457.619 3.603 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3cc(C)cc(C)c3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001313882107 1071456708 /nfs/dbraw/zinc/45/67/08/1071456708.db2.gz GUAAKUSEXJFQDB-VWLOTQADSA-N 1 0 496.700 3.901 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(N(C)C(C)=O)CC2)C1 ZINC001313884063 1071463377 /nfs/dbraw/zinc/46/33/77/1071463377.db2.gz MKIOJHBKJNDKAX-AZUAARDMSA-N 1 0 489.064 3.860 20 0 JHADRO 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CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313895643 1071497773 /nfs/dbraw/zinc/49/77/73/1071497773.db2.gz AVLOFYDTTXZXAL-SQJMNOBHSA-N 1 0 489.064 3.741 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313897574 1071502831 /nfs/dbraw/zinc/50/28/31/1071502831.db2.gz YXWLDVXIGFUTEB-MAUKXSAKSA-N 1 0 465.429 3.793 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313897573 1071502853 /nfs/dbraw/zinc/50/28/53/1071502853.db2.gz YXWLDVXIGFUTEB-CRAIPNDOSA-N 1 0 465.429 3.793 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001313896151 1071498651 /nfs/dbraw/zinc/49/86/51/1071498651.db2.gz MNEMYDASWDWFRA-RTWAWAEBSA-N 1 0 459.660 3.705 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001313896149 1071498749 /nfs/dbraw/zinc/49/87/49/1071498749.db2.gz MNEMYDASWDWFRA-LEWJYISDSA-N 1 0 459.660 3.705 20 0 JHADRO 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CC[N@@H+]1CCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313899194 1071507350 /nfs/dbraw/zinc/50/73/50/1071507350.db2.gz GTTGRGXQMZAGLZ-DNQXCXABSA-N 1 0 466.674 3.536 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)nnc2C(C)(C)C)C1 ZINC001313899631 1071507985 /nfs/dbraw/zinc/50/79/85/1071507985.db2.gz WOFGTPMFJYOJLI-IBGZPJMESA-N 1 0 473.065 3.923 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313902943 1071514326 /nfs/dbraw/zinc/51/43/26/1071514326.db2.gz JXGOLDHDEOZKLB-HSZRJFAPSA-N 1 0 482.673 3.698 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001313900997 1071510940 /nfs/dbraw/zinc/51/09/40/1071510940.db2.gz UEAHRRIUGAINMD-RBBKRZOGSA-N 1 0 458.695 3.826 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313901485 1071511731 /nfs/dbraw/zinc/51/17/31/1071511731.db2.gz RIKDIDUSTHAFBB-LZQZEXGQSA-N 1 0 455.500 3.648 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 ZINC001313902651 1071514163 /nfs/dbraw/zinc/51/41/63/1071514163.db2.gz HTRSVLGSAZOXRU-NFBKMPQASA-N 1 0 465.646 3.787 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1Cl ZINC001313903675 1071515849 /nfs/dbraw/zinc/51/58/49/1071515849.db2.gz FIMPTNFXQUUUEH-LJQANCHMSA-N 1 0 475.037 3.557 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313903804 1071516782 /nfs/dbraw/zinc/51/67/82/1071516782.db2.gz SEGUCRSFEPKCKW-OALUTQOASA-N 1 0 459.038 3.776 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 ZINC001313903984 1071517110 /nfs/dbraw/zinc/51/71/10/1071517110.db2.gz GJVYVCFFSQQHHT-HXUWFJFHSA-N 1 0 471.005 3.965 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001314999430 1071520321 /nfs/dbraw/zinc/52/03/21/1071520321.db2.gz BDTZRDBEIQYHKD-WOJBJXKFSA-N 1 0 470.637 3.805 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313904529 1071518080 /nfs/dbraw/zinc/51/80/80/1071518080.db2.gz IYSOVNBKOFTOTM-RQBNJVACSA-N 1 0 489.064 3.908 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313904543 1071518539 /nfs/dbraw/zinc/51/85/39/1071518539.db2.gz QQNQBJPQBRZSRS-ZWKOTPCHSA-N 1 0 484.542 3.553 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313904690 1071519020 /nfs/dbraw/zinc/51/90/20/1071519020.db2.gz RYKQVMUSSQLJRG-WOJBJXKFSA-N 1 0 451.537 3.705 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001313906228 1071523991 /nfs/dbraw/zinc/52/39/91/1071523991.db2.gz VIIHABGSXASUGV-QHAWAJNXSA-N 1 0 498.697 3.934 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(N2CCCN(C(=O)c3ccccc3F)CC2)nnc1C(C)(C)C ZINC001313906422 1071524200 /nfs/dbraw/zinc/52/42/00/1071524200.db2.gz QUAPQJMRPLRBIC-LJQANCHMSA-N 1 0 456.610 3.552 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001315001636 1071525307 /nfs/dbraw/zinc/52/53/07/1071525307.db2.gz URZUNLXIKZMSPY-BVZFJXPGSA-N 1 0 456.610 3.557 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001313905560 1071521905 /nfs/dbraw/zinc/52/19/05/1071521905.db2.gz VMMXFGXZNMZUTJ-FBBABVLZSA-N 1 0 492.462 3.965 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001313905641 1071522193 /nfs/dbraw/zinc/52/21/93/1071522193.db2.gz PXBGPIFCBYFOKS-RZUBCFFCSA-N 1 0 488.702 3.552 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313905942 1071522771 /nfs/dbraw/zinc/52/27/71/1071522771.db2.gz WHTUFNYZUHWMEO-CJFMBICVSA-N 1 0 457.619 3.745 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313907237 1071526586 /nfs/dbraw/zinc/52/65/86/1071526586.db2.gz ZVNOYIJNKSMPMJ-ZJSXRUAMSA-N 1 0 463.573 3.718 20 0 JHADRO CNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001315002667 1071527569 /nfs/dbraw/zinc/52/75/69/1071527569.db2.gz FYGGDZGHAUOWNI-UHFFFAOYSA-N 1 0 482.673 3.701 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C)C1 ZINC001313907572 1071527983 /nfs/dbraw/zinc/52/79/83/1071527983.db2.gz IHTGNJGKXGLKEC-NVXWUHKLSA-N 1 0 466.399 3.946 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313907649 1071528183 /nfs/dbraw/zinc/52/81/83/1071528183.db2.gz JKISFLVLAYPQGU-FQEVSTJZSA-N 1 0 489.064 3.963 20 0 JHADRO CCn1cc(CN(C)c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCC[N@@H+]2CC)cn1 ZINC001313909033 1071531181 /nfs/dbraw/zinc/53/11/81/1071531181.db2.gz LZZHFOUCMOTTND-JOCHJYFZSA-N 1 0 451.619 3.893 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313908536 1071530345 /nfs/dbraw/zinc/53/03/45/1071530345.db2.gz CYWDCPFCCNPEKI-VQTJNVASSA-N 1 0 471.650 3.604 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313909052 1071531702 /nfs/dbraw/zinc/53/17/02/1071531702.db2.gz MGBATELWVQUWKP-YADHBBJMSA-N 1 0 483.661 3.632 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313909049 1071531959 /nfs/dbraw/zinc/53/19/59/1071531959.db2.gz MGBATELWVQUWKP-FCHUYYIVSA-N 1 0 483.661 3.632 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313910723 1071536462 /nfs/dbraw/zinc/53/64/62/1071536462.db2.gz ZCVBJXNKKDQGTE-OAQYLSRUSA-N 1 0 457.667 3.798 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 ZINC001313910818 1071536484 /nfs/dbraw/zinc/53/64/84/1071536484.db2.gz HNBYUAFBMOTZEG-NJDAHSKKSA-N 1 0 476.666 3.697 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)CCCNC(=O)C1CCC1 ZINC001313910056 1071533953 /nfs/dbraw/zinc/53/39/53/1071533953.db2.gz UTBDXZZLSDPOBS-JOCHJYFZSA-N 1 0 452.647 3.871 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313910623 1071535017 /nfs/dbraw/zinc/53/50/17/1071535017.db2.gz XQRCGXNDXDXMEO-NFBKMPQASA-N 1 0 496.681 3.739 20 0 JHADRO CNC(=O)CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001315016254 1071536765 /nfs/dbraw/zinc/53/67/65/1071536765.db2.gz HAGIBCQZNCDMNI-OAQYLSRUSA-N 1 0 482.673 3.872 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(N2CCCN(C(=O)c3ccccc3F)CC2)nnc1C(C)(C)C ZINC001313911581 1071537683 /nfs/dbraw/zinc/53/76/83/1071537683.db2.gz DKFOIJGSRBMWDM-FQEVSTJZSA-N 1 0 470.637 3.942 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313912394 1071540074 /nfs/dbraw/zinc/54/00/74/1071540074.db2.gz IOQVAGVAUQGFTL-LPPUWEFUSA-N 1 0 477.694 3.835 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC(C)C)CC1 ZINC001313914260 1071544973 /nfs/dbraw/zinc/54/49/73/1071544973.db2.gz LZAAEESRTIQXHF-WXFUMESZSA-N 1 0 490.737 3.618 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCc1cnccn1 ZINC001313913762 1071545032 /nfs/dbraw/zinc/54/50/32/1071545032.db2.gz LSNRLEGSKHUCTJ-HSZRJFAPSA-N 1 0 463.630 3.817 20 0 JHADRO CCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC001313914004 1071545348 /nfs/dbraw/zinc/54/53/48/1071545348.db2.gz ORNVFUFMEWMTGJ-KNQAVFIVSA-N 1 0 486.636 3.736 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC001313914152 1071546403 /nfs/dbraw/zinc/54/64/03/1071546403.db2.gz SCUDSNOPHRRXCK-YADHBBJMSA-N 1 0 474.719 3.922 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001315024872 1071548191 /nfs/dbraw/zinc/54/81/91/1071548191.db2.gz IHUQHZJDXSUOCF-INIZCTEOSA-N 1 0 494.482 3.509 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001315024075 1071546506 /nfs/dbraw/zinc/54/65/06/1071546506.db2.gz IAJVBBKICMWPQQ-NHCUHLMSSA-N 1 0 484.664 3.729 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001313913473 1071543446 /nfs/dbraw/zinc/54/34/46/1071543446.db2.gz POXJUBHCCVHDMW-YADHBBJMSA-N 1 0 454.619 3.777 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001315025158 1071549239 /nfs/dbraw/zinc/54/92/39/1071549239.db2.gz CMTDEULZODXYCL-VWLOTQADSA-N 1 0 480.701 3.926 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313915490 1071550474 /nfs/dbraw/zinc/55/04/74/1071550474.db2.gz SQLKOSIHXKPWRN-QGZVFWFLSA-N 1 0 485.526 3.764 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001315026138 1071550849 /nfs/dbraw/zinc/55/08/49/1071550849.db2.gz HAMQJOQCDWNWMY-IAGOWNOFSA-N 1 0 495.043 3.588 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccccc2Br)n1CCC[NH+]1CCC(C)CC1 ZINC001315026434 1071551759 /nfs/dbraw/zinc/55/17/59/1071551759.db2.gz DXNDYYAJQJAIBW-UHFFFAOYSA-N 1 0 491.478 3.792 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313920527 1071559198 /nfs/dbraw/zinc/55/91/98/1071559198.db2.gz KBWONYMJFKLFFX-KRWDZBQOSA-N 1 0 452.981 3.860 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C1CC1)[NH+](C)C ZINC001315029557 1071558358 /nfs/dbraw/zinc/55/83/58/1071558358.db2.gz YDXGGXVGBYHWPK-LJQANCHMSA-N 1 0 458.676 3.578 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C1CC1)[NH+](C)C ZINC001315029556 1071558385 /nfs/dbraw/zinc/55/83/85/1071558385.db2.gz YDXGGXVGBYHWPK-IBGZPJMESA-N 1 0 458.676 3.578 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccccn2)CC1 ZINC001313921200 1071561398 /nfs/dbraw/zinc/56/13/98/1071561398.db2.gz OZGNEUYOXBEYMK-LEWJYISDSA-N 1 0 481.620 3.615 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315031665 1071561575 /nfs/dbraw/zinc/56/15/75/1071561575.db2.gz UCAWSNMQWBYCIZ-WINIVTDRSA-N 1 0 477.657 3.885 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001313921771 1071562482 /nfs/dbraw/zinc/56/24/82/1071562482.db2.gz SHDNMBTYULCULI-IBGZPJMESA-N 1 0 454.594 3.956 20 0 JHADRO CCN1CCCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001313922731 1071565702 /nfs/dbraw/zinc/56/57/02/1071565702.db2.gz XOQBNJMZOVZXNI-QFIPXVFZSA-N 1 0 466.674 3.632 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC001313923024 1071566276 /nfs/dbraw/zinc/56/62/76/1071566276.db2.gz ZNPBSJVQHQXVFD-SFHVURJKSA-N 1 0 470.593 3.657 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC2CC(F)C2)CC1 ZINC001313922999 1071566307 /nfs/dbraw/zinc/56/63/07/1071566307.db2.gz ZERPIVXCHZHHQU-IKJYFWGWSA-N 1 0 476.616 3.768 20 0 JHADRO CNC(=O)CCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001315034422 1071566504 /nfs/dbraw/zinc/56/65/04/1071566504.db2.gz MHCAKJSOWXPKSK-AOHZBQACSA-N 1 0 484.689 3.770 20 0 JHADRO CCN1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1=O ZINC001313923680 1071567351 /nfs/dbraw/zinc/56/73/51/1071567351.db2.gz BGMRNPYFRKXJIK-FQEVSTJZSA-N 1 0 477.078 3.623 20 0 JHADRO CCN(CC(C)C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001313923527 1071567513 /nfs/dbraw/zinc/56/75/13/1071567513.db2.gz OJVSHNWUHYTBEO-JOCHJYFZSA-N 1 0 469.678 3.656 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)[C@@H](C)c2ccco2)CC1 ZINC001313923919 1071568728 /nfs/dbraw/zinc/56/87/28/1071568728.db2.gz AVADEBNFYVMBNJ-UXHICEINSA-N 1 0 452.603 3.770 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313925502 1071574207 /nfs/dbraw/zinc/57/42/07/1071574207.db2.gz RXUHUTNFZFVTQM-CPJSRVTESA-N 1 0 458.626 3.506 20 0 JHADRO CNC(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315042310 1071574198 /nfs/dbraw/zinc/57/41/98/1071574198.db2.gz GOWXYYDQUHPVIW-GOSISDBHSA-N 1 0 472.703 3.826 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313925727 1071574251 /nfs/dbraw/zinc/57/42/51/1071574251.db2.gz BMIJPVNWESIISA-ISKFKSNPSA-N 1 0 498.716 3.687 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313927052 1071578715 /nfs/dbraw/zinc/57/87/15/1071578715.db2.gz ZCRAWWOCCROSFV-NHCUHLMSSA-N 1 0 494.606 3.827 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001313928109 1071582390 /nfs/dbraw/zinc/58/23/90/1071582390.db2.gz QEEITJHACSWUAC-VWNXMTODSA-N 1 0 486.730 3.766 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313928008 1071582654 /nfs/dbraw/zinc/58/26/54/1071582654.db2.gz MVZAQPSAUHJTGI-UKILVPOCSA-N 1 0 498.716 3.710 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313928679 1071584520 /nfs/dbraw/zinc/58/45/20/1071584520.db2.gz CGQIAZKQEKUAPV-VQTJNVASSA-N 1 0 467.593 3.985 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)CC2)CC1 ZINC001313929075 1071586079 /nfs/dbraw/zinc/58/60/79/1071586079.db2.gz XIPQVWIKTLRMJA-HSZRJFAPSA-N 1 0 454.663 3.736 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001313929674 1071587442 /nfs/dbraw/zinc/58/74/42/1071587442.db2.gz SZYULJKWYJOHCQ-QFIPXVFZSA-N 1 0 466.674 3.602 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOC[C@H]2CCCO2)C[C@H]1C ZINC001313929854 1071587791 /nfs/dbraw/zinc/58/77/91/1071587791.db2.gz ATCYNFPJZJHPDJ-IAGOWNOFSA-N 1 0 498.491 3.885 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2scnc2C)C[C@@H]1C ZINC001313930244 1071588909 /nfs/dbraw/zinc/58/89/09/1071588909.db2.gz ANWZPXWPRDTEQI-ZDUSSCGKSA-N 1 0 464.437 3.574 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001315083624 1071592254 /nfs/dbraw/zinc/59/22/54/1071592254.db2.gz YAEIFQRXTFFVCT-IEBWSBKVSA-N 1 0 469.611 3.708 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313930623 1071590009 /nfs/dbraw/zinc/59/00/09/1071590009.db2.gz WCRVSNJUQJPQNK-SFHVURJKSA-N 1 0 458.701 3.963 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313930955 1071591109 /nfs/dbraw/zinc/59/11/09/1071591109.db2.gz OWCIMGJNWJHRBF-ROUUACIJSA-N 1 0 486.558 3.972 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)C)cc2)C[C@@H]1C ZINC001313931495 1071591819 /nfs/dbraw/zinc/59/18/19/1071591819.db2.gz FATPEZOROUPNHH-HFZDXXHNSA-N 1 0 471.646 3.685 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001313932368 1071594842 /nfs/dbraw/zinc/59/48/42/1071594842.db2.gz VGXGZWWFNSEAHP-IRFCIJBXSA-N 1 0 489.064 3.860 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(CSC)cc2)C[C@H]1C ZINC001313932017 1071594955 /nfs/dbraw/zinc/59/49/55/1071594955.db2.gz GWSZPWWCDCZLTI-NLFFAJNJSA-N 1 0 473.687 3.760 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313932378 1071595373 /nfs/dbraw/zinc/59/53/73/1071595373.db2.gz VHFOCDZAGNDMCH-SFTDATJTSA-N 1 0 486.636 3.880 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCC[C@H]2C)C[C@@H]1C ZINC001313932658 1071595518 /nfs/dbraw/zinc/59/55/18/1071595518.db2.gz IOGLMEFRSWBYQS-ZMPRRUGASA-N 1 0 480.426 3.928 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C ZINC001313933147 1071596945 /nfs/dbraw/zinc/59/69/45/1071596945.db2.gz KDEUUHVUIBRMIR-LJQANCHMSA-N 1 0 484.645 3.884 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001313933051 1071596964 /nfs/dbraw/zinc/59/69/64/1071596964.db2.gz ZCKWVDDNGGBVOW-FYYLOGMGSA-N 1 0 484.689 3.676 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(O)CC)C[C@H]1C ZINC001313933716 1071599065 /nfs/dbraw/zinc/59/90/65/1071599065.db2.gz QCBSPKUUUXRBGK-IIBYNOLFSA-N 1 0 450.425 3.707 20 0 JHADRO CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1)C(C)C ZINC001313933860 1071599910 /nfs/dbraw/zinc/59/99/10/1071599910.db2.gz NBMWVTJHZLRVKI-UHFFFAOYSA-N 1 0 493.656 3.782 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(CC4CCCC4)nnc3N(C)CCOC(C)(C)C)cn2)CC1 ZINC001313934420 1071602452 /nfs/dbraw/zinc/60/24/52/1071602452.db2.gz QVWNNACDIAKSCC-UHFFFAOYSA-N 1 0 483.705 3.847 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](OC)C(C)C)C[C@H]1C ZINC001313935089 1071604602 /nfs/dbraw/zinc/60/46/02/1071604602.db2.gz WFAJNGVLBVZBKE-OXQOHEQNSA-N 1 0 480.451 3.918 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](OC)C(C)C)C[C@@H]1C ZINC001313935088 1071604702 /nfs/dbraw/zinc/60/47/02/1071604702.db2.gz WFAJNGVLBVZBKE-OXJNMPFZSA-N 1 0 480.451 3.918 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C[C@@H]1C ZINC001313935688 1071606719 /nfs/dbraw/zinc/60/67/19/1071606719.db2.gz YZRRTKPMQRSVHW-YJBOKZPZSA-N 1 0 470.515 3.568 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313936191 1071607962 /nfs/dbraw/zinc/60/79/62/1071607962.db2.gz MUDNUZBQYKNXIS-QGZVFWFLSA-N 1 0 494.587 3.644 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(O)(CC)CC)C[C@H]1C ZINC001313936501 1071608567 /nfs/dbraw/zinc/60/85/67/1071608567.db2.gz PBOSWFUQTUGLLL-LJQANCHMSA-N 1 0 459.635 3.822 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001313936472 1071608589 /nfs/dbraw/zinc/60/85/89/1071608589.db2.gz OLNJDCIBZDYXPK-INIZCTEOSA-N 1 0 487.004 3.598 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C)nc2)C[C@H]1C ZINC001313936600 1071609114 /nfs/dbraw/zinc/60/91/14/1071609114.db2.gz GKRBIXMMRFBUOF-IFMALSPDSA-N 1 0 483.661 3.675 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](SC)C(C)(C)C)C[C@@H]1C ZINC001313937300 1071610934 /nfs/dbraw/zinc/61/09/34/1071610934.db2.gz LBJTVVIDKUMKEE-FPOVZHCZSA-N 1 0 486.734 3.760 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCC(F)(F)F)C[C@H]1C ZINC001313938938 1071612726 /nfs/dbraw/zinc/61/27/26/1071612726.db2.gz YPWONNPKPXEZIX-CRAIPNDOSA-N 1 0 471.549 3.617 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCOC(F)(F)F)C[C@H]1C ZINC001313939293 1071612756 /nfs/dbraw/zinc/61/27/56/1071612756.db2.gz ABUYUAUIGCVYHQ-QGZVFWFLSA-N 1 0 455.525 3.529 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCC(C)(C)O)C[C@H]1C ZINC001313940523 1071614793 /nfs/dbraw/zinc/61/47/93/1071614793.db2.gz MYDRFENNPAOZRF-LJQANCHMSA-N 1 0 464.054 3.943 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313940980 1071616257 /nfs/dbraw/zinc/61/62/57/1071616257.db2.gz RETBGJMOTCOPIP-ACRUOGEOSA-N 1 0 455.647 3.806 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCSC2)C[C@@H]1C ZINC001313941190 1071616318 /nfs/dbraw/zinc/61/63/18/1071616318.db2.gz AHVKQQVNRTZVGT-IRXDYDNUSA-N 1 0 480.476 3.903 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2ccnc2C)C[C@@H]1C ZINC001313941362 1071616861 /nfs/dbraw/zinc/61/68/61/1071616861.db2.gz BQNFHMVVQHPHRS-FQEVSTJZSA-N 1 0 465.646 3.890 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccc(OC)c2)C[C@@H]1C ZINC001313942504 1071620182 /nfs/dbraw/zinc/62/01/82/1071620182.db2.gz IREBHFPKNIRKRG-SESVDKBCSA-N 1 0 484.645 3.636 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC(C)C)C2)CC1 ZINC001313946008 1071627811 /nfs/dbraw/zinc/62/78/11/1071627811.db2.gz XKHWJRKDNZVZLU-XZOQPEGZSA-N 1 0 454.663 3.907 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSCc2ccccc2)C[C@H]1C ZINC001313943553 1071623082 /nfs/dbraw/zinc/62/30/82/1071623082.db2.gz STSMXDLIHSHXDK-OAQYLSRUSA-N 1 0 453.660 3.604 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSCc2ccccc2)C[C@@H]1C ZINC001313943550 1071623318 /nfs/dbraw/zinc/62/33/18/1071623318.db2.gz STSMXDLIHSHXDK-NRFANRHFSA-N 1 0 453.660 3.604 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(-c4ccccc4)n3CC[NH+](C(C)C)C(C)C)CC2)C1=O ZINC001313946021 1071627828 /nfs/dbraw/zinc/62/78/28/1071627828.db2.gz XYBIHNJCPGYIGZ-UHFFFAOYSA-N 1 0 467.662 3.790 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOC(C)(C)C)C2)CC1 ZINC001313944957 1071625685 /nfs/dbraw/zinc/62/56/85/1071625685.db2.gz KORBTBNCZFMSLP-IBGZPJMESA-N 1 0 479.044 3.769 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC001313947076 1071630812 /nfs/dbraw/zinc/63/08/12/1071630812.db2.gz VMXXWYPYAZUAIF-IBGZPJMESA-N 1 0 473.065 3.844 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(OC)C2CC2)C[C@H]1C ZINC001313947417 1071631706 /nfs/dbraw/zinc/63/17/06/1071631706.db2.gz HARVFOLXZNAHPN-KOSHJBKYSA-N 1 0 459.660 3.925 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001313947981 1071632148 /nfs/dbraw/zinc/63/21/48/1071632148.db2.gz IXJAEMTYTJWXBS-KRWDZBQOSA-N 1 0 498.118 3.579 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCC(Nc3ccccc3Cl)CC2)CC1 ZINC001313949494 1071636404 /nfs/dbraw/zinc/63/64/04/1071636404.db2.gz JANXFUBAPMLFBH-LJQANCHMSA-N 1 0 460.070 3.594 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(COC)c2)C[C@@H]1C ZINC001313950079 1071637532 /nfs/dbraw/zinc/63/75/32/1071637532.db2.gz SZSVEDOQAYVWFS-WWPVKYPJSA-N 1 0 455.647 3.922 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ncccc2N(C)C)C[C@H]1C ZINC001313950771 1071639937 /nfs/dbraw/zinc/63/99/37/1071639937.db2.gz WXIQNMOHCJDOLV-GOSISDBHSA-N 1 0 470.021 3.550 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC[C@@H](c4noc(C(C)C)n4)C3)nnc2C(C)(C)C)CC1 ZINC001313952189 1071645152 /nfs/dbraw/zinc/64/51/52/1071645152.db2.gz OPHXNNRUXKJVEI-NHCUHLMSSA-N 1 0 486.709 3.740 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@H]2C)CC1 ZINC001313951222 1071641178 /nfs/dbraw/zinc/64/11/78/1071641178.db2.gz RMRWJTSLOVLBOR-PWRODBHTSA-N 1 0 490.693 3.773 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CC=CCC2)CC1 ZINC001313951366 1071641722 /nfs/dbraw/zinc/64/17/22/1071641722.db2.gz HBKBOMLXRAGMQZ-NRFANRHFSA-N 1 0 470.687 3.619 20 0 JHADRO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC001313952201 1071644322 /nfs/dbraw/zinc/64/43/22/1071644322.db2.gz YFBMCLUMKVJQBQ-FYYLOGMGSA-N 1 0 484.664 3.914 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001313952048 1071644445 /nfs/dbraw/zinc/64/44/45/1071644445.db2.gz XHMOHPOCJFXDIP-WOJBJXKFSA-N 1 0 475.081 3.876 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cscn2)CC1 ZINC001313952207 1071644928 /nfs/dbraw/zinc/64/49/28/1071644928.db2.gz YGPAIRYSHDBDAX-GOSISDBHSA-N 1 0 474.078 3.965 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313952619 1071646519 /nfs/dbraw/zinc/64/65/19/1071646519.db2.gz GWTNOCGYXQAGSQ-FQEVSTJZSA-N 1 0 498.075 3.912 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC3CCCC3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313954196 1071650555 /nfs/dbraw/zinc/65/05/55/1071650555.db2.gz AZBHPWJQUFMUJI-IBGZPJMESA-N 1 0 452.638 3.766 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313954574 1071651730 /nfs/dbraw/zinc/65/17/30/1071651730.db2.gz BXOGHWDAHNKYQA-VQTJNVASSA-N 1 0 459.708 3.534 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2cc(C)cs2)CC1 ZINC001313954433 1071651754 /nfs/dbraw/zinc/65/17/54/1071651754.db2.gz QSVXKUHVKNNUCN-JOCHJYFZSA-N 1 0 460.692 3.944 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Br)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313955697 1071656280 /nfs/dbraw/zinc/65/62/80/1071656280.db2.gz YRCAIUKTPNHUCS-UHFFFAOYSA-N 1 0 497.432 3.971 20 0 JHADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc(CC(C)(C)C)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001313956809 1071658110 /nfs/dbraw/zinc/65/81/10/1071658110.db2.gz NGLHBPVWODLVIC-OAQYLSRUSA-N 1 0 484.689 3.896 20 0 JHADRO CC[NH+]1CCN(CCCn2c(C3CCCC3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)CC1 ZINC001313956702 1071658124 /nfs/dbraw/zinc/65/81/24/1071658124.db2.gz JHMRZSKFNWLASW-UHFFFAOYSA-N 1 0 481.689 3.655 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC001313956863 1071658693 /nfs/dbraw/zinc/65/86/93/1071658693.db2.gz NZVGRRMIWWBOCP-QHCPKHFHSA-N 1 0 481.733 3.694 20 0 JHADRO CCn1nc(-c2nnc(N(C)Cc3cnc(C)s3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313960873 1071671686 /nfs/dbraw/zinc/67/16/86/1071671686.db2.gz PGOABXASQLSRFB-UHFFFAOYSA-N 1 0 494.669 3.807 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001313961507 1071672699 /nfs/dbraw/zinc/67/26/99/1071672699.db2.gz UPOFIOPBFFVETF-HFZDXXHNSA-N 1 0 488.652 3.590 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001313961525 1071672902 /nfs/dbraw/zinc/67/29/02/1071672902.db2.gz UFOQIVXXJLYBPQ-DEOSSOPVSA-N 1 0 486.730 3.768 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313961663 1071673322 /nfs/dbraw/zinc/67/33/22/1071673322.db2.gz WIKWUQDDZIXHQD-UHFFFAOYSA-N 1 0 468.049 3.581 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001313976454 1071708203 /nfs/dbraw/zinc/70/82/03/1071708203.db2.gz GHZVRQWGFJIXMG-UHFFFAOYSA-N 1 0 491.105 3.918 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313977382 1071710775 /nfs/dbraw/zinc/71/07/75/1071710775.db2.gz MPYGVLYDARVAEQ-MOPGFXCFSA-N 1 0 488.702 3.660 20 0 JHADRO CCNC(=O)c1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001313987042 1071724736 /nfs/dbraw/zinc/72/47/36/1071724736.db2.gz NRWUTKVMLATKQH-XMMPIXPASA-N 1 0 482.673 3.874 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001313993785 1071728273 /nfs/dbraw/zinc/72/82/73/1071728273.db2.gz NWGYKTFURBXTJA-PKTZIBPZSA-N 1 0 467.662 3.546 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313996927 1071733941 /nfs/dbraw/zinc/73/39/41/1071733941.db2.gz QKXHVOXUAFPSKD-FGZHOGPDSA-N 1 0 481.689 3.863 20 0 JHADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C3CCCC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001314007230 1071742873 /nfs/dbraw/zinc/74/28/73/1071742873.db2.gz CLFLYIMGZJKRQK-SIKLNZKXSA-N 1 0 488.702 3.583 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001314007107 1071742901 /nfs/dbraw/zinc/74/29/01/1071742901.db2.gz CTAISLFPGXSZNN-UGKGYDQZSA-N 1 0 456.635 3.827 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001314013691 1071751583 /nfs/dbraw/zinc/75/15/83/1071751583.db2.gz VZBQIYZJWNWGSG-QFIPXVFZSA-N 1 0 483.661 3.826 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001314012568 1071748317 /nfs/dbraw/zinc/74/83/17/1071748317.db2.gz KPQJCNAKFDTJJL-FCHUYYIVSA-N 1 0 490.693 3.884 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001314014842 1071755028 /nfs/dbraw/zinc/75/50/28/1071755028.db2.gz VRVXIXIQNBKNQG-IBGZPJMESA-N 1 0 472.634 3.741 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001314014843 1071755080 /nfs/dbraw/zinc/75/50/80/1071755080.db2.gz VRVXIXIQNBKNQG-LJQANCHMSA-N 1 0 472.634 3.741 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+](C)[C@H](C)CC)CC1 ZINC001314015060 1071756741 /nfs/dbraw/zinc/75/67/41/1071756741.db2.gz BCZXAIYTMHODEJ-GOSISDBHSA-N 1 0 492.615 3.935 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001314015562 1071757260 /nfs/dbraw/zinc/75/72/60/1071757260.db2.gz AQBVAZLQEAZILD-FQEVSTJZSA-N 1 0 479.629 3.811 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001314017533 1071763254 /nfs/dbraw/zinc/76/32/54/1071763254.db2.gz HHESPYLMCGEHMC-XMMPIXPASA-N 1 0 491.640 3.624 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314022449 1071776362 /nfs/dbraw/zinc/77/63/62/1071776362.db2.gz LXFRMSLJMTVFOG-XZOQPEGZSA-N 1 0 482.673 3.852 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314023759 1071779744 /nfs/dbraw/zinc/77/97/44/1071779744.db2.gz IHPXCWJRUWHYPP-FGZHOGPDSA-N 1 0 498.672 3.818 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001314024075 1071781358 /nfs/dbraw/zinc/78/13/58/1071781358.db2.gz BBZJRGBKVVRGIC-NRFANRHFSA-N 1 0 491.640 3.672 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314025256 1071785626 /nfs/dbraw/zinc/78/56/26/1071785626.db2.gz LKDNTRDWUCEAEV-MOPGFXCFSA-N 1 0 490.599 3.546 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001314027282 1071792267 /nfs/dbraw/zinc/79/22/67/1071792267.db2.gz DNWRCBRNHSQYDD-WOJBJXKFSA-N 1 0 458.607 3.682 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314028776 1071796319 /nfs/dbraw/zinc/79/63/19/1071796319.db2.gz GRKORXRZDSGQGQ-NHCUHLMSSA-N 1 0 478.682 3.991 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314029857 1071800218 /nfs/dbraw/zinc/80/02/18/1071800218.db2.gz CHYJZURKSCIRTE-GOSISDBHSA-N 1 0 494.587 3.849 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001314035650 1071823976 /nfs/dbraw/zinc/82/39/76/1071823976.db2.gz LGXNPHQHKXUVPT-YTFSRNRJSA-N 1 0 497.688 3.717 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+](CC)C2CC2)C1 ZINC001314035906 1071824752 /nfs/dbraw/zinc/82/47/52/1071824752.db2.gz YJUHHYUHQOFANM-LJQANCHMSA-N 1 0 461.010 3.798 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001314038326 1071833951 /nfs/dbraw/zinc/83/39/51/1071833951.db2.gz XDPMPTYTYWNYJJ-GBESFXJTSA-N 1 0 488.608 3.755 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001314041024 1071842433 /nfs/dbraw/zinc/84/24/33/1071842433.db2.gz ZHFUOKVAJHFEIV-YADHBBJMSA-N 1 0 454.619 3.736 20 0 JHADRO CCOC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001314041599 1071844726 /nfs/dbraw/zinc/84/47/26/1071844726.db2.gz LKXJMFLTGKAOAE-OAQYLSRUSA-N 1 0 483.661 3.833 20 0 JHADRO CCOC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001314043924 1071854693 /nfs/dbraw/zinc/85/46/93/1071854693.db2.gz PANRHKYXQGLGEP-HXUWFJFHSA-N 1 0 457.619 3.842 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001314045104 1071859347 /nfs/dbraw/zinc/85/93/47/1071859347.db2.gz YMYJYNHPLLFFPD-YADHBBJMSA-N 1 0 484.645 3.673 20 0 JHADRO CCO[C@@H](CCn1c(C2CCCC2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001314058674 1071890379 /nfs/dbraw/zinc/89/03/79/1071890379.db2.gz CBOHHWICTUYMEO-ZEQRLZLVSA-N 1 0 460.711 3.992 20 0 JHADRO CCO[C@@H](CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC2CCOCC2)CC1)C(C)C ZINC001314063595 1071904921 /nfs/dbraw/zinc/90/49/21/1071904921.db2.gz KGJXJWTWVRMDAP-DEOSSOPVSA-N 1 0 470.662 3.648 20 0 JHADRO CCO[C@H](C)c1noc(CN(C)c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001314063634 1071905423 /nfs/dbraw/zinc/90/54/23/1071905423.db2.gz QIIRPERNZSWMCM-GBESFXJTSA-N 1 0 491.681 3.871 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CCOC1 ZINC001314073633 1071927295 /nfs/dbraw/zinc/92/72/95/1071927295.db2.gz FRYIUHHUPDQSES-FNZWTVRRSA-N 1 0 471.646 3.955 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@@H](C)c3ccc(OC)cc3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC001314074483 1071929767 /nfs/dbraw/zinc/92/97/67/1071929767.db2.gz KXVKIPXDHQYDOK-QTLGCAHFSA-N 1 0 489.686 3.574 20 0 JHADRO CCO[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C2CCOCC2)CC1)C(C)C ZINC001314075773 1071932513 /nfs/dbraw/zinc/93/25/13/1071932513.db2.gz SZFUJVIVLJVBBF-TZRRMPRUSA-N 1 0 491.721 3.949 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3cccc(C)c3)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001314080123 1071940685 /nfs/dbraw/zinc/94/06/85/1071940685.db2.gz BOTOOZUANXBQOY-RUZDIDTESA-N 1 0 473.687 3.702 20 0 JHADRO CCO[C@]1(c2nnc(N(C)CCC(C)C)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)CCOC1 ZINC001314093505 1071971402 /nfs/dbraw/zinc/97/14/02/1071971402.db2.gz ZWSMDDIQDRMDQW-HFZDXXHNSA-N 1 0 455.647 3.859 20 0 JHADRO CCO[C@@]1(c2nnc(N(CC)Cc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)CCOC1 ZINC001314098558 1071980001 /nfs/dbraw/zinc/98/00/01/1071980001.db2.gz AARDVVIUXVJRJS-VWLOTQADSA-N 1 0 459.610 3.972 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@H](C)O[C@@H](CC)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)CCOC1 ZINC001314104254 1071992269 /nfs/dbraw/zinc/99/22/69/1071992269.db2.gz SEQUVOAAAFZUCI-RCSBWOJUSA-N 1 0 485.673 3.822 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[C@H](C[NH+](CC)CC)C3)n2Cc2ccc(Cl)s2)CCOC1 ZINC001314108955 1072001713 /nfs/dbraw/zinc/00/17/13/1072001713.db2.gz ADHQJXXNSPVUKB-VGSWGCGISA-N 1 0 468.067 3.862 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(C)(c4ccc(C)cc4)CC3)n2C[C@H](C)[NH+](C)C)CCOC1 ZINC001314109333 1072002346 /nfs/dbraw/zinc/00/23/46/1072002346.db2.gz QMFSPGMCANXKRU-LVXARBLLSA-N 1 0 455.647 3.747 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC(CC)CC3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CCOC1 ZINC001314111290 1072005544 /nfs/dbraw/zinc/00/55/44/1072005544.db2.gz JFURVPQKCQROSU-ZEQKJWHPSA-N 1 0 471.646 3.868 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC(c4ccc(O)cc4)CC3)n2C[C@@H](C)[NH+](CC)CC)CCOC1 ZINC001314115477 1072013657 /nfs/dbraw/zinc/01/36/57/1072013657.db2.gz YCVFLQQFLVYRAM-FQRUVTKNSA-N 1 0 471.646 3.750 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC([NH+](CC)CC)CC3)n2Cc2ccc(C)c(OC)c2)CCOC1 ZINC001314115744 1072013908 /nfs/dbraw/zinc/01/39/08/1072013908.db2.gz PIJVGEQJNGMRSL-AREMUKBSSA-N 1 0 471.646 3.606 20 0 JHADRO CCO[C@]1(c2nnc(N3CCCC(C)(C)C3)n2Cc2ccccc2OCC[NH+](C)C)CCOC1 ZINC001314120572 1072022771 /nfs/dbraw/zinc/02/27/71/1072022771.db2.gz LEQFICOKSNDYOR-AREMUKBSSA-N 1 0 471.646 3.545 20 0 JHADRO 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O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)Nc1cc(N2CCOCC2)ccc1Br ZINC001310743867 1069146220 /nfs/dbraw/zinc/14/62/20/1069146220.db2.gz PFGQOOIJBXNLEU-QGZVFWFLSA-N 1 0 451.409 3.529 20 0 JHADRO CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)N3CCC(CC[NH+]4CCOCC4)CC3)cc2C1 ZINC001310749428 1069149287 /nfs/dbraw/zinc/14/92/87/1069149287.db2.gz KINQIZOKCCQIMM-UHFFFAOYSA-N 1 0 458.603 3.904 20 0 JHADRO O=C(CCOc1ccccc1)N1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC001306524792 1069150736 /nfs/dbraw/zinc/15/07/36/1069150736.db2.gz RCBYFOKXSMERKY-DEOSSOPVSA-N 1 0 455.643 3.855 20 0 JHADRO COCc1cc(NC(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc(C(=O)OC)c1 ZINC001310787185 1069162227 /nfs/dbraw/zinc/16/22/27/1069162227.db2.gz HWGQPMQIIXWLAC-UHFFFAOYSA-N 1 0 455.555 3.662 20 0 JHADRO COCc1cc(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc(C(=O)OC)c1 ZINC001310787835 1069162772 /nfs/dbraw/zinc/16/27/72/1069162772.db2.gz LLRADCBGTFDFFG-HSZRJFAPSA-N 1 0 455.555 3.977 20 0 JHADRO COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC001310797754 1069167110 /nfs/dbraw/zinc/16/71/10/1069167110.db2.gz RRSFWSCKWMDOPB-IBGZPJMESA-N 1 0 458.584 3.506 20 0 JHADRO Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)NCc2cc(N(C)C)cc[nH+]2)cc1 ZINC001310802192 1069169694 /nfs/dbraw/zinc/16/96/94/1069169694.db2.gz SSQOGEWOAKRRMN-UHFFFAOYSA-N 1 0 453.568 3.887 20 0 JHADRO CNC(=O)c1cc(Oc2cccc(NC(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)c2)ccn1 ZINC001310818712 1069176682 /nfs/dbraw/zinc/17/66/82/1069176682.db2.gz JMMOZWXMHJGVJH-KOSHJBKYSA-N 1 0 459.550 3.876 20 0 JHADRO O=C(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)N[C@@H](C1CC1)C(F)(F)F ZINC001310844928 1069190696 /nfs/dbraw/zinc/19/06/96/1069190696.db2.gz JHBPGNSILFBGET-FQEVSTJZSA-N 1 0 451.468 3.687 20 0 JHADRO CCC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001306543569 1069194953 /nfs/dbraw/zinc/19/49/53/1069194953.db2.gz VKNBXBRBINOZMY-JJTGBXKASA-N 1 0 454.663 3.906 20 0 JHADRO C[N@H+](CCNC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1)C1CCCCC1 ZINC001310874220 1069202286 /nfs/dbraw/zinc/20/22/86/1069202286.db2.gz FCCHQUNNVGZVSW-UHFFFAOYSA-N 1 0 457.388 3.811 20 0 JHADRO CCC[C@](C)(O)Cn1c(COc2ccccc2CC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001306546525 1069204027 /nfs/dbraw/zinc/20/40/27/1069204027.db2.gz ZHFJHRVJHUIJLQ-IDISGSTGSA-N 1 0 485.673 3.660 20 0 JHADRO COC(=O)[C@@H]1CCc2sc(NC(=O)NCC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)nc2C1 ZINC001310903308 1069216357 /nfs/dbraw/zinc/21/63/57/1069216357.db2.gz YDHRZMVYYQJRDX-BHIYHBOVSA-N 1 0 456.612 3.843 20 0 JHADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)CC1 ZINC001310929684 1069225282 /nfs/dbraw/zinc/22/52/82/1069225282.db2.gz KXNGPWIJUBDNES-BVZFJXPGSA-N 1 0 455.603 3.592 20 0 JHADRO CC[C@@H](CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC001310932704 1069225977 /nfs/dbraw/zinc/22/59/77/1069225977.db2.gz VPQWOTRCHJWQCR-ROUUACIJSA-N 1 0 458.525 3.578 20 0 JHADRO COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1cnn(CC[NH+](C)C)c1)CC2 ZINC001310934482 1069226516 /nfs/dbraw/zinc/22/65/16/1069226516.db2.gz XNOOFANGNLWKJE-QFIPXVFZSA-N 1 0 455.584 3.703 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001306557793 1069227418 /nfs/dbraw/zinc/22/74/18/1069227418.db2.gz WSYAEIYJJAPFTF-SFTDATJTSA-N 1 0 452.647 3.833 20 0 JHADRO C[C@@H]1C[C@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001310939029 1069228658 /nfs/dbraw/zinc/22/86/58/1069228658.db2.gz TVHNZVXGQXRFBJ-NXHRZFHOSA-N 1 0 458.525 3.794 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001306565938 1069233509 /nfs/dbraw/zinc/23/35/09/1069233509.db2.gz GFOUKAOFXSHGAA-VLIAUNLRSA-N 1 0 454.388 3.538 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001306567182 1069234569 /nfs/dbraw/zinc/23/45/69/1069234569.db2.gz PIZXJBQRLAVWBA-UXHICEINSA-N 1 0 461.614 3.997 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+](C)C1CCCC1 ZINC001306573115 1069240652 /nfs/dbraw/zinc/24/06/52/1069240652.db2.gz VXTBATCMIIQYQW-SFHVURJKSA-N 1 0 451.619 3.691 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001306578098 1069243842 /nfs/dbraw/zinc/24/38/42/1069243842.db2.gz AAVICTHPOJJKTJ-OAQYLSRUSA-N 1 0 462.642 3.894 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001306580712 1069245500 /nfs/dbraw/zinc/24/55/00/1069245500.db2.gz IRXLSGRNYXRAFB-LEWJYISDSA-N 1 0 453.635 3.642 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC2([NH+](C)C)CCC2)C1 ZINC001306585042 1069250698 /nfs/dbraw/zinc/25/06/98/1069250698.db2.gz KWMINYWWXMMPSC-PZJWPPBQSA-N 1 0 467.662 3.654 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001306586346 1069252871 /nfs/dbraw/zinc/25/28/71/1069252871.db2.gz QIYTVWOCZHJTMU-CJRSTVEYSA-N 1 0 488.721 3.958 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1[C@@H]1CCC(=O)N1 ZINC001311065663 1069263242 /nfs/dbraw/zinc/26/32/42/1069263242.db2.gz YWDOQMUITOYSTF-QFIPXVFZSA-N 1 0 455.990 3.625 20 0 JHADRO CCC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](CC(C)C)CC1)OC ZINC001306593282 1069263628 /nfs/dbraw/zinc/26/36/28/1069263628.db2.gz OXAKTZOEAXLPLK-HBMCJLEFSA-N 1 0 478.682 3.642 20 0 JHADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)Nc1nnc(-c2c(F)cccc2F)s1 ZINC001311092677 1069270397 /nfs/dbraw/zinc/27/03/97/1069270397.db2.gz IPJMUADUWPEHPG-UHFFFAOYSA-N 1 0 459.522 3.632 20 0 JHADRO CCCc1nc(C)c(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[NH+](C3CCCC3)CC2)o1 ZINC001306609236 1069284889 /nfs/dbraw/zinc/28/48/89/1069284889.db2.gz LWUCVEXPJCMQLA-UHFFFAOYSA-N 1 0 471.650 3.558 20 0 JHADRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC001311156803 1069286137 /nfs/dbraw/zinc/28/61/37/1069286137.db2.gz FZLDKFWTFAYYGO-HNNXBMFYSA-N 1 0 451.365 3.699 20 0 JHADRO O=C(NCCNc1cccc(Br)c1)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001311164785 1069287906 /nfs/dbraw/zinc/28/79/06/1069287906.db2.gz ZADDLRVRVXPPMP-NRFANRHFSA-N 1 0 458.404 3.967 20 0 JHADRO CCCc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)o1 ZINC001306612480 1069290666 /nfs/dbraw/zinc/29/06/66/1069290666.db2.gz QZNGFWIGNVNDMV-SIKLNZKXSA-N 1 0 499.704 3.543 20 0 JHADRO CCCc1nc(C)c(Cn2c(N3CC[NH+](C[C@@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)o1 ZINC001306613325 1069292797 /nfs/dbraw/zinc/29/27/97/1069292797.db2.gz YUQUUDXLCJDQDW-OAQYLSRUSA-N 1 0 466.630 3.728 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001306615577 1069296141 /nfs/dbraw/zinc/29/61/41/1069296141.db2.gz AROPMSLSFOUGOC-NQIIRXRSSA-N 1 0 479.572 3.520 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](CC)[NH+]2CCCC2)CCO1 ZINC001306615938 1069297109 /nfs/dbraw/zinc/29/71/09/1069297109.db2.gz CPMRYZJKRSCXJO-RTBURBONSA-N 1 0 479.467 3.926 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCO2)CC[N@@H+]1CCOC ZINC001306621066 1069308208 /nfs/dbraw/zinc/30/82/08/1069308208.db2.gz VVRFZQVMKYGZGB-DLBZAZTESA-N 1 0 498.491 3.885 20 0 JHADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001164406424 718863654 /nfs/dbraw/zinc/86/36/54/718863654.db2.gz GQYSIELEPQRHFZ-CRAIPNDOSA-N 1 0 451.901 3.548 20 0 JHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCO[C@@H]5C[NH2+]CC[C@H]5C4)c23)C1 ZINC001164404114 718864339 /nfs/dbraw/zinc/86/43/39/718864339.db2.gz ACLFTSOXQGMLJQ-WSTZPKSXSA-N 1 0 455.672 3.617 20 0 JHADRO [NH3+][C@]12C[C@H]1CCN(C(F)(F)c1cccc(S(=O)(=O)Nc3nc4ccccc4nc3Cl)c1)C2 ZINC001164418528 718896581 /nfs/dbraw/zinc/89/65/81/718896581.db2.gz CZMXIWBKJCGBQH-VLIAUNLRSA-N 1 0 479.940 3.556 20 0 JHADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164434850 718970856 /nfs/dbraw/zinc/97/08/56/718970856.db2.gz WGDBJRBPOBPZLK-RTBURBONSA-N 1 0 490.860 3.863 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164620908 719008154 /nfs/dbraw/zinc/00/81/54/719008154.db2.gz ZSRJPPUFHYAOTO-AMGIVPHBSA-N 1 0 496.055 3.795 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164615641 719008264 /nfs/dbraw/zinc/00/82/64/719008264.db2.gz JLMIEFVEGOAVKC-GCJKJVERSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001164615993 719015319 /nfs/dbraw/zinc/01/53/19/719015319.db2.gz KGVNYLSHCZGYQX-AGRHKRQWSA-N 1 0 475.927 3.563 20 0 JHADRO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cnc1Cl ZINC001164620320 719050569 /nfs/dbraw/zinc/05/05/69/719050569.db2.gz GBAAMVHORJLSHH-YLJYHZDGSA-N 1 0 455.958 3.657 20 0 JHADRO COCCOc1cc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2cc1OCCOC ZINC001164625155 719063290 /nfs/dbraw/zinc/06/32/90/719063290.db2.gz MWWASNUHSLCTJM-RCZVLFRGSA-N 1 0 492.620 3.781 20 0 JHADRO CC(=O)Oc1cc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2cc1OC(C)=O ZINC001164626749 719089268 /nfs/dbraw/zinc/08/92/68/719089268.db2.gz IQRKSUQMQPHJNF-REWPJTCUSA-N 1 0 460.534 3.581 20 0 JHADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@H]2CF)CC1 ZINC001164625813 719121243 /nfs/dbraw/zinc/12/12/43/719121243.db2.gz YZGTWGPQEYAJEY-QUCCMNQESA-N 1 0 467.614 3.704 20 0 JHADRO Cc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1NCC1CC1 ZINC001164683036 719654972 /nfs/dbraw/zinc/65/49/72/719654972.db2.gz UNXLVLXXESPZLC-QFIPXVFZSA-N 1 0 476.669 3.700 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cc(Cl)ncn3)CC2)c2ccccc21 ZINC001164679936 719655603 /nfs/dbraw/zinc/65/56/03/719655603.db2.gz ANXUFCJKFOWXTO-KRWDZBQOSA-N 1 0 477.987 3.768 20 0 JHADRO COC(=O)c1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1Cl ZINC001164682758 719658257 /nfs/dbraw/zinc/65/82/57/719658257.db2.gz SVZLLIKGHKQYNQ-GOSISDBHSA-N 1 0 485.028 3.615 20 0 JHADRO COc1nc2ccccc2nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680818 719663061 /nfs/dbraw/zinc/66/30/61/719663061.db2.gz JBGKUHYNPOMLSU-FQEVSTJZSA-N 1 0 473.621 3.732 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4c3SCC4)CC2)c2ccccc21 ZINC001164682701 719665156 /nfs/dbraw/zinc/66/51/56/719665156.db2.gz SUFHOTSWNDLIEQ-KRWDZBQOSA-N 1 0 486.085 3.872 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nnc(Cl)c4cccnc43)CC2)c2ccccc21 ZINC001164681539 719669329 /nfs/dbraw/zinc/66/93/29/719669329.db2.gz MPKBZRJLURVMFJ-GOSISDBHSA-N 1 0 479.028 3.772 20 0 JHADRO COc1ccc2c(c1)ncnc2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680345 719669469 /nfs/dbraw/zinc/66/94/69/719669469.db2.gz CVSUDTGJVXRXHH-HXUWFJFHSA-N 1 0 473.621 3.732 20 0 JHADRO CCOC(=O)c1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1C ZINC001164681605 719671404 /nfs/dbraw/zinc/67/14/04/719671404.db2.gz NLZFIPYTCVSGKB-NRFANRHFSA-N 1 0 478.637 3.660 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cncc(N4CCCCC4)n3)CC2)c2ccccc21 ZINC001164680515 719674040 /nfs/dbraw/zinc/67/40/40/719674040.db2.gz GWBDVIVJKWIXDW-QFIPXVFZSA-N 1 0 476.669 3.560 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)c(F)cc3N)CC2)c2ccccc21 ZINC001164681926 719674056 /nfs/dbraw/zinc/67/40/56/719674056.db2.gz OLNCVDXGPPMFEF-INIZCTEOSA-N 1 0 459.997 3.550 20 0 JHADRO CCOCc1cnc(Cl)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681474 719675518 /nfs/dbraw/zinc/67/55/18/719675518.db2.gz LIVJQIGNHCNDNZ-IBGZPJMESA-N 1 0 486.060 3.760 20 0 JHADRO Cc1noc(-c2ccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc2)n1 ZINC001164686821 719678479 /nfs/dbraw/zinc/67/84/79/719678479.db2.gz XDVIFLAJHQAZJZ-OAQYLSRUSA-N 1 0 474.609 3.533 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(CN3CCC(C)CC3)nc3sc4c(c31)CCC4)CC2 ZINC001164690266 719742613 /nfs/dbraw/zinc/74/26/13/719742613.db2.gz XMWWDRGRQMCFFX-UHFFFAOYSA-N 1 0 496.725 3.593 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164689397 719742695 /nfs/dbraw/zinc/74/26/95/719742695.db2.gz FFHLXOMSCHFHFT-UHFFFAOYSA-N 1 0 455.962 3.584 20 0 JHADRO Fc1cccnc1N(c1nc(Cl)nc2c1CN(Cc1ccccc1)C2)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164690798 719760509 /nfs/dbraw/zinc/76/05/09/719760509.db2.gz ILVHZGIIYREZBA-BVZFJXPGSA-N 1 0 480.975 3.839 20 0 JHADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164692091 719813810 /nfs/dbraw/zinc/81/38/10/719813810.db2.gz LMJMGIMSDICRNR-SFHVURJKSA-N 1 0 477.700 3.948 20 0 JHADRO Clc1nnc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1N1CCOCC1 ZINC001164707720 719908624 /nfs/dbraw/zinc/90/86/24/719908624.db2.gz WHEMSDXATSLCBK-UHFFFAOYSA-N 1 0 484.453 3.553 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(C)cc(Cl)n1)CC2 ZINC001164709656 720096188 /nfs/dbraw/zinc/09/61/88/720096188.db2.gz BZEPSOMWHWUNID-GOSISDBHSA-N 1 0 451.949 3.886 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3cc(C(=O)OC)ccc3nc1Cl)CC2 ZINC001164712549 720097690 /nfs/dbraw/zinc/09/76/90/720097690.db2.gz WYOSYKJBOOSYLU-HXUWFJFHSA-N 1 0 496.011 3.972 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164809165 720101978 /nfs/dbraw/zinc/10/19/78/720101978.db2.gz HLCJNQRFSMDYPG-HOYKHHGWSA-N 1 0 456.612 3.567 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164716405 720107341 /nfs/dbraw/zinc/10/73/41/720107341.db2.gz KYYZKDSIZRDOJA-SFHVURJKSA-N 1 0 458.006 3.798 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164716972 720113365 /nfs/dbraw/zinc/11/33/65/720113365.db2.gz MPLHTESLRDAPNZ-HSZRJFAPSA-N 1 0 460.578 3.924 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)NC(C)(C)C)cn1)CC2 ZINC001164716987 720119391 /nfs/dbraw/zinc/11/93/91/720119391.db2.gz MVUGSTNDKYPTBK-QFIPXVFZSA-N 1 0 451.615 3.512 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(OC)cc(OC)c31)CC2 ZINC001164719504 720121750 /nfs/dbraw/zinc/12/17/50/720121750.db2.gz XQWANAKAUBVLCW-FQEVSTJZSA-N 1 0 463.582 3.550 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(F)c(OC)cc31)CC2 ZINC001164712210 720128270 /nfs/dbraw/zinc/12/82/70/720128270.db2.gz KWSZQXBKGWZMOQ-IBGZPJMESA-N 1 0 451.546 3.680 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)CC2 ZINC001164712481 720136646 /nfs/dbraw/zinc/13/66/46/720136646.db2.gz MNWAYDGZPHGLKP-LJQANCHMSA-N 1 0 494.970 3.969 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)cc3ccccc31)CC2 ZINC001164712255 720144305 /nfs/dbraw/zinc/14/43/05/720144305.db2.gz LYDDYNYLCZLDFO-QFIPXVFZSA-N 1 0 460.578 3.924 20 0 JHADRO Cn1nnc2c1CCN(c1ccc3c(Cl)ccc(Cl)c3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717764 720204045 /nfs/dbraw/zinc/20/40/45/720204045.db2.gz XAHYPAXNHZALSN-IBGZPJMESA-N 1 0 461.397 3.886 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CCC2 ZINC001164812729 720240142 /nfs/dbraw/zinc/24/01/42/720240142.db2.gz HUWWUMQOGNAJHX-UHFFFAOYSA-N 1 0 456.953 3.743 20 0 JHADRO COc1ccccc1Oc1nc(Cl)ncc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164816286 720245091 /nfs/dbraw/zinc/24/50/91/720245091.db2.gz HKEMCARUNPGZMB-UHFFFAOYSA-N 1 0 484.988 3.738 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)CC1 ZINC001164821598 720306687 /nfs/dbraw/zinc/30/66/87/720306687.db2.gz LBALXUYMOKKGSD-DNQXCXABSA-N 1 0 495.071 3.557 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001164833408 720322509 /nfs/dbraw/zinc/32/25/09/720322509.db2.gz WVRCXLXBLGVTEJ-DNQXCXABSA-N 1 0 476.600 3.530 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc3cnc(Cl)nc3c2)CC1 ZINC001164831411 720326002 /nfs/dbraw/zinc/32/60/02/720326002.db2.gz RYYPNEYLJSNUBO-UXHICEINSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2ccccc2)CC1 ZINC001164824367 720352226 /nfs/dbraw/zinc/35/22/26/720352226.db2.gz IAALKEKQNHHXKU-UXHICEINSA-N 1 0 455.990 3.834 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccnc(CSc3ccccc3)n2)CC1 ZINC001164821693 720352631 /nfs/dbraw/zinc/35/26/31/720352631.db2.gz BIQBBQFPQRHJMB-VXKWHMMOSA-N 1 0 451.640 3.680 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC1 ZINC001164821796 720353509 /nfs/dbraw/zinc/35/35/09/720353509.db2.gz CAWRWMALSRJMFN-HOTGVXAUSA-N 1 0 463.356 3.725 20 0 JHADRO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164840586 720507764 /nfs/dbraw/zinc/50/77/64/720507764.db2.gz WPVLXHJUYUYOSD-CEXWTWQISA-N 1 0 468.627 3.751 20 0 JHADRO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2c1 ZINC001164835724 720514030 /nfs/dbraw/zinc/51/40/30/720514030.db2.gz KJLCPPIWRMGNSE-DBXWQHBBSA-N 1 0 468.989 3.644 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833381 720519406 /nfs/dbraw/zinc/51/94/06/720519406.db2.gz DLFGJVQHGBRCAR-BHIFYINESA-N 1 0 471.049 3.935 20 0 JHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001164735186 720524421 /nfs/dbraw/zinc/52/44/21/720524421.db2.gz VWAKUTQMZRJACJ-GOSISDBHSA-N 1 0 465.671 3.560 20 0 JHADRO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2cc1OC ZINC001164835374 720529113 /nfs/dbraw/zinc/52/91/13/720529113.db2.gz GZCPUJFNOMPXNT-SQGPQFPESA-N 1 0 471.005 3.875 20 0 JHADRO Cc1sc2nc(CN3CCOCC3)nc(N([C@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c2c1C ZINC001164734004 720546757 /nfs/dbraw/zinc/54/67/57/720546757.db2.gz FTTFRFSATBXYRT-LJQANCHMSA-N 1 0 473.687 3.656 20 0 JHADRO CCOC(=O)c1cc2c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH]c(C)c(C)c-2n1 ZINC001164841441 720562058 /nfs/dbraw/zinc/56/20/58/720562058.db2.gz VWBUEVPIUPEKKU-ZRCGQRJVSA-N 1 0 464.614 3.931 20 0 JHADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1 ZINC001164736665 720584379 /nfs/dbraw/zinc/58/43/79/720584379.db2.gz QKSZVJFQRQEUQT-UHFFFAOYSA-N 1 0 450.974 3.842 20 0 JHADRO CC(C)[N@@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3C(=O)N3CCC(C)CC3)CC[C@H]21 ZINC001164838780 720603432 /nfs/dbraw/zinc/60/34/32/720603432.db2.gz LURGFFRNPHOCQF-CQOQZXRMSA-N 1 0 450.631 3.528 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC[C@@H]21 ZINC001164838761 720611186 /nfs/dbraw/zinc/61/11/86/720611186.db2.gz LPRSMDMPUXOHDQ-GIWBLDEGSA-N 1 0 471.049 3.935 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccc5c(c4)OCCCO5)nn3)CC[C@@H]21 ZINC001164843509 720621004 /nfs/dbraw/zinc/62/10/04/720621004.db2.gz XNPWUAYRJRVEKF-FIXSFTCYSA-N 1 0 474.609 3.879 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164838299 720713532 /nfs/dbraw/zinc/71/35/32/720713532.db2.gz HVGAVSMLOZITDK-MRXNPFEDSA-N 1 0 462.932 3.763 20 0 JHADRO CC(C)CCNS(=O)(=O)c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164836457 720715121 /nfs/dbraw/zinc/71/51/21/720715121.db2.gz AWXCYZXEGAMMPY-HSZRJFAPSA-N 1 0 486.682 3.666 20 0 JHADRO COc1nnc(Cl)cc1C(F)(F)N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840975 720728089 /nfs/dbraw/zinc/72/80/89/720728089.db2.gz UANFHDQIRKRULS-QGZVFWFLSA-N 1 0 452.933 3.943 20 0 JHADRO Clc1ccc(CN2CCCC2)c(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)n1 ZINC001164843489 720742434 /nfs/dbraw/zinc/74/24/34/720742434.db2.gz LHGPBDKKRRCWHH-UHFFFAOYSA-N 1 0 464.017 3.688 20 0 JHADRO O=C(NCc1ccccc1)c1nc2c(s1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164843090 720746086 /nfs/dbraw/zinc/74/60/86/720746086.db2.gz IAUXGTPKBMSWOJ-UHFFFAOYSA-N 1 0 477.634 3.548 20 0 JHADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737898 720785784 /nfs/dbraw/zinc/78/57/84/720785784.db2.gz DKOZQXPZUYGVOD-OALUTQOASA-N 1 0 474.590 3.637 20 0 JHADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737903 720786322 /nfs/dbraw/zinc/78/63/22/720786322.db2.gz DKOZQXPZUYGVOD-RTBURBONSA-N 1 0 474.590 3.637 20 0 JHADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740717 720802981 /nfs/dbraw/zinc/80/29/81/720802981.db2.gz AGDFKIINCDJWDE-ROUUACIJSA-N 1 0 452.946 3.617 20 0 JHADRO COc1cccc2c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(Cl)nc12 ZINC001164743409 720809498 /nfs/dbraw/zinc/80/94/98/720809498.db2.gz FXDKYVZAGXYQDR-QWFCFKBJSA-N 1 0 452.990 3.868 20 0 JHADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164744103 720818750 /nfs/dbraw/zinc/81/87/50/720818750.db2.gz UFHUWQPCDGVJLJ-GPMSIDNRSA-N 1 0 491.949 3.938 20 0 JHADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739174 720822707 /nfs/dbraw/zinc/82/27/07/720822707.db2.gz HMAYRGHZSYXDHL-DJPFJPOOSA-N 1 0 473.959 3.799 20 0 JHADRO 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473.959 3.799 20 0 JHADRO FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740586 720836881 /nfs/dbraw/zinc/83/68/81/720836881.db2.gz CXNKSEXBGKKXFF-MBOZVWFJSA-N 1 0 473.959 3.799 20 0 JHADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742430 720840458 /nfs/dbraw/zinc/84/04/58/720840458.db2.gz GKUTUVKXBXNFTJ-CSODHUTKSA-N 1 0 489.958 3.679 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC[C@H]2C1 ZINC001164851862 720845711 /nfs/dbraw/zinc/84/57/11/720845711.db2.gz IHNKWMRRZHXPLB-FXAWDEMLSA-N 1 0 452.933 3.515 20 0 JHADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C2)n1)CCCC3 ZINC001164750312 720845792 /nfs/dbraw/zinc/84/57/92/720845792.db2.gz XFQJSVIAZAFWHM-SVFBPWRDSA-N 1 0 463.655 3.849 20 0 JHADRO Clc1ncc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Oc2ccccc2)n1 ZINC001164746868 720858285 /nfs/dbraw/zinc/85/82/85/720858285.db2.gz 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COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001164785659 721462543 /nfs/dbraw/zinc/46/25/43/721462543.db2.gz MKUFFLWAVRQXSI-GOSISDBHSA-N 1 0 496.002 3.957 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164789898 721463948 /nfs/dbraw/zinc/46/39/48/721463948.db2.gz YGVUEKBXRGAPQY-DEOSSOPVSA-N 1 0 466.626 3.790 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3cc(OC)c(OC)cc3cn1)CC2 ZINC001164786678 721468641 /nfs/dbraw/zinc/46/86/41/721468641.db2.gz BYCJOCIJZQFQEG-HSZRJFAPSA-N 1 0 469.626 3.986 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3c(cccc3C(=O)OC)n1)CC2 ZINC001164791214 721470048 /nfs/dbraw/zinc/47/00/48/721470048.db2.gz VGLRJQZERINQTM-OAQYLSRUSA-N 1 0 467.610 3.755 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3ccncc3)nc3c1CCC3)CC2 ZINC001164789582 721470134 /nfs/dbraw/zinc/47/01/34/721470134.db2.gz OLQLJVSRIDWHOH-HSZRJFAPSA-N 1 0 477.653 3.761 20 0 JHADRO 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C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)CC2 ZINC001164796298 721504658 /nfs/dbraw/zinc/50/46/58/721504658.db2.gz RFZKGSKZTRFNLH-UHFFFAOYSA-N 1 0 485.000 3.959 20 0 JHADRO CCOC(=O)c1sc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1C ZINC001164896259 721509679 /nfs/dbraw/zinc/50/96/79/721509679.db2.gz ABIJWUDBHNDNHU-WMZOPIPTSA-N 1 0 456.543 3.657 20 0 JHADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)CC[N@@H+]3C2)c1 ZINC001164897593 721522924 /nfs/dbraw/zinc/52/29/24/721522924.db2.gz GACGCYBFUYACJT-AAEUAGOBSA-N 1 0 469.735 3.861 20 0 JHADRO COc1cc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1OC ZINC001164905186 721526464 /nfs/dbraw/zinc/52/64/64/721526464.db2.gz GIJPHSQHMPHFJT-RDJZCZTQSA-N 1 0 458.921 3.781 20 0 JHADRO COC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164906756 721531147 /nfs/dbraw/zinc/53/11/47/721531147.db2.gz LENXGPQJIUSOCV-ZBFHGGJFSA-N 1 0 455.864 3.548 20 0 JHADRO 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O=C1N(c2cccnc2)CC[C@]12CN(c1cccc(OCC[NH+]3CCCC3)n1)C[C@@H]2c1ccccc1 ZINC001164912566 721741856 /nfs/dbraw/zinc/74/18/56/721741856.db2.gz NTHMFOFFQCITFH-VAVYLYDRSA-N 1 0 483.616 3.978 20 0 JHADRO O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)[C@@H]2C1 ZINC001165021166 721773726 /nfs/dbraw/zinc/77/37/26/721773726.db2.gz ZVUZDSZBBJOCBK-VQIMIIECSA-N 1 0 462.928 3.991 20 0 JHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@H]21 ZINC001165017306 721783208 /nfs/dbraw/zinc/78/32/08/721783208.db2.gz GFPRAUCMCFCPLK-VSKRKVRLSA-N 1 0 493.986 3.696 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)Nc4nncs4)cc3Cl)C[C@@H]21 ZINC001165019767 721825889 /nfs/dbraw/zinc/82/58/89/721825889.db2.gz BTXKRAVFRNXCKQ-ZAAXVRCTSA-N 1 0 484.029 3.971 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)Nc4nncs4)cc3Cl)C[C@H]21 ZINC001165019765 721825903 /nfs/dbraw/zinc/82/59/03/721825903.db2.gz BTXKRAVFRNXCKQ-XFQXTVEOSA-N 1 0 484.029 3.971 20 0 JHADRO 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CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(N(C)C)c2)CC[N@@H+]1CCOC ZINC001306622403 1069312556 /nfs/dbraw/zinc/31/25/56/1069312556.db2.gz BFFWOYOZEPRUHF-XMMPIXPASA-N 1 0 477.657 3.700 20 0 JHADRO C[C@](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)(c1ccc(F)cc1)C(F)(F)F ZINC001311275531 1069313417 /nfs/dbraw/zinc/31/34/17/1069313417.db2.gz WVQIYONMMQAVHK-AGHHOFFYSA-N 1 0 453.480 3.785 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCc2c(F)cccc2F)CC[N@@H+]1CCOC ZINC001306623825 1069315816 /nfs/dbraw/zinc/31/58/16/1069315816.db2.gz GFZICWOQUXRVBE-XXBNENTESA-N 1 0 477.600 3.978 20 0 JHADRO COCC(=O)N1CCCc2ccc(NC(=O)N[C@H](C[N@H+](C)Cc3ccccc3)C(C)C)cc21 ZINC001311291916 1069318017 /nfs/dbraw/zinc/31/80/17/1069318017.db2.gz ODKJBXOANJRLLZ-HSZRJFAPSA-N 1 0 452.599 3.890 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCCCCC2)CC[N@@H+]1CCOC ZINC001306624781 1069318857 /nfs/dbraw/zinc/31/88/57/1069318857.db2.gz RAXREPHETZNUHH-QFIPXVFZSA-N 1 0 470.662 3.671 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccccc3C)n2CC2(O)CCCCC2)CC[N@@H+]1CCOC ZINC001306626774 1069322523 /nfs/dbraw/zinc/32/25/23/1069322523.db2.gz LMUKPWRTHHCBFO-DEOSSOPVSA-N 1 0 469.674 3.810 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@H]2CC(F)(F)CO2)CC[N@@H+]1CCOC ZINC001306627478 1069323904 /nfs/dbraw/zinc/32/39/04/1069323904.db2.gz UOWYFNFPEXBMKU-FCHUYYIVSA-N 1 0 477.600 3.539 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)Nc1ccnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ccccc1 ZINC001311327298 1069324859 /nfs/dbraw/zinc/32/48/59/1069324859.db2.gz QLRWNMMYUQYUFM-RTBURBONSA-N 1 0 454.575 3.973 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2cccc(C3OCCO3)c2)CC[N@@H+]1CCOC ZINC001306628145 1069325718 /nfs/dbraw/zinc/32/57/18/1069325718.db2.gz DQTUORNDUIUZQS-HSZRJFAPSA-N 1 0 485.673 3.898 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC)n2Cc2c(C)nn(-c3ccccc3)c2C)CC[N@@H+]1CCOC ZINC001306628339 1069326148 /nfs/dbraw/zinc/32/61/48/1069326148.db2.gz YWHTZQNEMMNTHH-QHCPKHFHSA-N 1 0 465.646 3.628 20 0 JHADRO CCC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)N2CC[NH+](CC)CC2)CCO1 ZINC001306632083 1069332887 /nfs/dbraw/zinc/33/28/87/1069332887.db2.gz JMEMUWYIICCSGD-ZCYQVOJMSA-N 1 0 484.689 3.505 20 0 JHADRO CCC[N@H+](C)[C@@H](CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC001311348180 1069334949 /nfs/dbraw/zinc/33/49/49/1069334949.db2.gz HWUQAIPKOXWXMZ-RPWUZVMVSA-N 1 0 459.034 3.923 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)C)CC[N@@H+]1CCOC ZINC001306633962 1069338361 /nfs/dbraw/zinc/33/83/61/1069338361.db2.gz DNKDBSTXNNVKPU-QHAWAJNXSA-N 1 0 478.682 3.642 20 0 JHADRO CCC[C@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001306634755 1069340354 /nfs/dbraw/zinc/34/03/54/1069340354.db2.gz ZSUMAYBJYPSEBR-YADHBBJMSA-N 1 0 471.646 3.991 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)C1 ZINC001311357730 1069341339 /nfs/dbraw/zinc/34/13/39/1069341339.db2.gz HHZNBBRIOZWRGA-KHCICDEESA-N 1 0 452.574 3.686 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC001311357875 1069341989 /nfs/dbraw/zinc/34/19/89/1069341989.db2.gz NRBCLMCSVAVIEX-GJZUVCINSA-N 1 0 450.627 3.791 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@H]2CCCc3cc(OC)ccc32)CC1 ZINC001311358335 1069342262 /nfs/dbraw/zinc/34/22/62/1069342262.db2.gz RJDMTIARPOZLMG-HSZRJFAPSA-N 1 0 450.627 3.752 20 0 JHADRO CC[NH+](CC)CCNC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001311365138 1069346553 /nfs/dbraw/zinc/34/65/53/1069346553.db2.gz MDBAFKHZTNEMBZ-QGZVFWFLSA-N 1 0 450.381 3.611 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC001311358900 1069343005 /nfs/dbraw/zinc/34/30/05/1069343005.db2.gz UYHLOZSUSMJQAH-UHFFFAOYSA-N 1 0 454.590 3.716 20 0 JHADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CCC1 ZINC001311367960 1069347190 /nfs/dbraw/zinc/34/71/90/1069347190.db2.gz CPNRKKIOXZVDSD-DEOSSOPVSA-N 1 0 454.590 3.553 20 0 JHADRO CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001311369648 1069347656 /nfs/dbraw/zinc/34/76/56/1069347656.db2.gz HEELEUONTRNQGE-GHTZIAJQSA-N 1 0 458.994 3.748 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccs1 ZINC001311374613 1069349528 /nfs/dbraw/zinc/34/95/28/1069349528.db2.gz NGKFPESLQNSGDV-RBBKRZOGSA-N 1 0 457.621 3.843 20 0 JHADRO CCCCCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@H+](C)C1)C(C)C ZINC001306641657 1069352425 /nfs/dbraw/zinc/35/24/25/1069352425.db2.gz BLNNHYDCRZTSHB-HFZDXXHNSA-N 1 0 492.709 3.864 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N3C[C@@H](C)O[C@H](CC(F)(F)F)C3)CC2)c1 ZINC001311381747 1069354521 /nfs/dbraw/zinc/35/45/21/1069354521.db2.gz UCWHUKAMDVJSMN-TZIWHRDSSA-N 1 0 456.553 3.649 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)NCc3ccc(OC(F)F)cc3F)CC2)c1 ZINC001311380858 1069354669 /nfs/dbraw/zinc/35/46/69/1069354669.db2.gz NXWVHDSTRPYAFF-UHFFFAOYSA-N 1 0 450.505 3.747 20 0 JHADRO CCCCCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1)C(C)C ZINC001306643935 1069355184 /nfs/dbraw/zinc/35/51/84/1069355184.db2.gz VYJFNVXOFSCPAH-AREMUKBSSA-N 1 0 492.709 3.864 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)NCC1(CF)CCOCC1 ZINC001311378726 1069352272 /nfs/dbraw/zinc/35/22/72/1069352272.db2.gz QBSATQLVJIEHLQ-UHFFFAOYSA-N 1 0 454.590 3.574 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCc2ccn(C)n2)CC[N@@H+]1CCOC ZINC001306647330 1069358084 /nfs/dbraw/zinc/35/80/84/1069358084.db2.gz NHWYLQYTAVPIPN-FQEVSTJZSA-N 1 0 472.037 3.512 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC2(O)CCC2)CC[N@@H+]1CCOC ZINC001306649423 1069359860 /nfs/dbraw/zinc/35/98/60/1069359860.db2.gz SRXYZMDFQGNXHK-GOSISDBHSA-N 1 0 492.462 3.560 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1)c1ccsc1 ZINC001311398816 1069361536 /nfs/dbraw/zinc/36/15/36/1069361536.db2.gz JZZHKFYDZOBGMZ-ICSRJNTNSA-N 1 0 452.418 3.807 20 0 JHADRO C[C@H](CNC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC001311398914 1069361565 /nfs/dbraw/zinc/36/15/65/1069361565.db2.gz BNWJEMIRTZCGPW-QINHECLXSA-N 1 0 450.546 3.881 20 0 JHADRO C[C@H](CNC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)[N@@H+]1CCCC[C@H]1C ZINC001311402877 1069362560 /nfs/dbraw/zinc/36/25/60/1069362560.db2.gz UHHOYRHTYNAIRU-WCXIOVBPSA-N 1 0 450.546 3.594 20 0 JHADRO COc1ccc(Cl)cc1CN1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC001311396254 1069361079 /nfs/dbraw/zinc/36/10/79/1069361079.db2.gz PKCMTRCWDMHDKA-QFIPXVFZSA-N 1 0 451.055 3.932 20 0 JHADRO CCCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001306655101 1069366995 /nfs/dbraw/zinc/36/69/95/1069366995.db2.gz GDUYIGABCQMXSI-NFBKMPQASA-N 1 0 486.636 3.565 20 0 JHADRO CC(C)[NH+](CCNC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C(C)C ZINC001311419894 1069367991 /nfs/dbraw/zinc/36/79/91/1069367991.db2.gz ZSMLUTNKOXSBBD-UHFFFAOYSA-N 1 0 450.580 3.545 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)C1 ZINC001311431837 1069376846 /nfs/dbraw/zinc/37/68/46/1069376846.db2.gz FGOLVCJVLOQOAF-IPEBIRRUSA-N 1 0 451.652 3.713 20 0 JHADRO C[NH+](C)Cc1cccc(CNC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c1 ZINC001311445603 1069383055 /nfs/dbraw/zinc/38/30/55/1069383055.db2.gz BTINSJXVAGIELO-ZWKOTPCHSA-N 1 0 458.525 3.593 20 0 JHADRO CCc1cc(CNC(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)on1 ZINC001311451542 1069384740 /nfs/dbraw/zinc/38/47/40/1069384740.db2.gz GZYWRWXDIUQDTI-UHFFFAOYSA-N 1 0 453.509 3.657 20 0 JHADRO COC(=O)c1ccc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001311453065 1069385975 /nfs/dbraw/zinc/38/59/75/1069385975.db2.gz VZWYSJDPOUSSHS-UHFFFAOYSA-N 1 0 451.489 3.808 20 0 JHADRO CCCCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001306663706 1069386543 /nfs/dbraw/zinc/38/65/43/1069386543.db2.gz KQZXSTQSWWJYGK-RUZDIDTESA-N 1 0 463.667 3.590 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(CC(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001306664319 1069388375 /nfs/dbraw/zinc/38/83/75/1069388375.db2.gz IASGVBSYBHMZNI-FGZHOGPDSA-N 1 0 490.737 3.839 20 0 JHADRO CCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001306675254 1069399882 /nfs/dbraw/zinc/39/98/82/1069399882.db2.gz QTFITJGDQHTBIX-RTWAWAEBSA-N 1 0 478.682 3.943 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccn(C)n2)CC1 ZINC001306678740 1069403759 /nfs/dbraw/zinc/40/37/59/1069403759.db2.gz DFEPVQDKEISYPW-UHFFFAOYSA-N 1 0 489.466 3.766 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cc2F)CC1 ZINC001306679245 1069404342 /nfs/dbraw/zinc/40/43/42/1069404342.db2.gz GFNWXMPHEQKJLD-UHFFFAOYSA-N 1 0 474.600 3.789 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NCCc3cccc(C(F)(F)F)n3)cc2)C[C@H](C)O1 ZINC001311496032 1069405552 /nfs/dbraw/zinc/40/55/52/1069405552.db2.gz LXTIMSNJVKXLLK-CALCHBBNSA-N 1 0 450.505 3.752 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(C)COCCO2)CC1 ZINC001306679853 1069405913 /nfs/dbraw/zinc/40/59/13/1069405913.db2.gz KTMWMMZJFJNRMF-AREMUKBSSA-N 1 0 471.646 3.708 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001306680174 1069406418 /nfs/dbraw/zinc/40/64/18/1069406418.db2.gz ACMSPYPPWZUITM-BEFAXECRSA-N 1 0 468.415 3.786 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(F)cn2)CC1 ZINC001306680101 1069406543 /nfs/dbraw/zinc/40/65/43/1069406543.db2.gz OYRPTFYGMLKUAT-UHFFFAOYSA-N 1 0 451.594 3.795 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001306680732 1069407771 /nfs/dbraw/zinc/40/77/71/1069407771.db2.gz DBPWPEYGILBIDP-UHFFFAOYSA-N 1 0 465.017 3.888 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H]1CC ZINC001306681552 1069411178 /nfs/dbraw/zinc/41/11/78/1069411178.db2.gz NMYALHNCRANJBX-LJQANCHMSA-N 1 0 461.680 3.657 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](OC)C1 ZINC001306682334 1069412515 /nfs/dbraw/zinc/41/25/15/1069412515.db2.gz DJWWIHNHEACFOF-MRXNPFEDSA-N 1 0 454.388 3.804 20 0 JHADRO C[NH+](C)CCOc1cccc(CNC(=O)NC(C)(C)COc2ncccc2C(F)(F)F)c1 ZINC001311500644 1069409780 /nfs/dbraw/zinc/40/97/80/1069409780.db2.gz XIEXDLSMANNFSS-UHFFFAOYSA-N 1 0 454.493 3.698 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001306683652 1069418147 /nfs/dbraw/zinc/41/81/47/1069418147.db2.gz ZQPWHQZWIZWJKA-FDDCHVKYSA-N 1 0 492.462 3.824 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001306683575 1069417268 /nfs/dbraw/zinc/41/72/68/1069417268.db2.gz WTQRVKIDDRYSAB-UHFFFAOYSA-N 1 0 473.000 3.586 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001306683466 1069417320 /nfs/dbraw/zinc/41/73/20/1069417320.db2.gz YKXWVKCNPIYWCG-OAQYLSRUSA-N 1 0 454.623 3.703 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001306682535 1069413164 /nfs/dbraw/zinc/41/31/64/1069413164.db2.gz HLOVKCZAQRRGLJ-IBGZPJMESA-N 1 0 462.520 3.993 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]1c1nncn1C ZINC001306682492 1069413191 /nfs/dbraw/zinc/41/31/91/1069413191.db2.gz IUWBCOURWFMLJW-IBGZPJMESA-N 1 0 460.989 3.940 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 ZINC001306682563 1069413779 /nfs/dbraw/zinc/41/37/79/1069413779.db2.gz IIIDIZADIJWZFM-UHFFFAOYSA-N 1 0 466.609 3.550 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1c1nncn1C ZINC001306682493 1069413854 /nfs/dbraw/zinc/41/38/54/1069413854.db2.gz IUWBCOURWFMLJW-LJQANCHMSA-N 1 0 460.989 3.940 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(O)c2)CC1 ZINC001306683618 1069417898 /nfs/dbraw/zinc/41/78/98/1069417898.db2.gz YGJHCLZRLVXSSQ-UHFFFAOYSA-N 1 0 470.021 3.758 20 0 JHADRO CN(C(=O)NCc1ccnc(OC2CCCC2)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001311509390 1069415093 /nfs/dbraw/zinc/41/50/93/1069415093.db2.gz VACUDMMHFBOTFM-ZEQRLZLVSA-N 1 0 457.663 3.882 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001306683123 1069415932 /nfs/dbraw/zinc/41/59/32/1069415932.db2.gz PHSPDFLBNBDOLQ-LEWJYISDSA-N 1 0 457.619 3.700 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001306685081 1069420185 /nfs/dbraw/zinc/42/01/85/1069420185.db2.gz ZJCCYHGAUALHHZ-UHFFFAOYSA-N 1 0 464.614 3.820 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1CC ZINC001306685581 1069421260 /nfs/dbraw/zinc/42/12/60/1069421260.db2.gz GYSHOOFJAGCCJU-WOJBJXKFSA-N 1 0 464.655 3.697 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001306686359 1069422329 /nfs/dbraw/zinc/42/23/29/1069422329.db2.gz CIERQHLXXLYEFF-UHFFFAOYSA-N 1 0 457.516 3.634 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCSC2(CCOCC2)C1 ZINC001306687347 1069423914 /nfs/dbraw/zinc/42/39/14/1069423914.db2.gz IZXQDQYPUPUPFY-UHFFFAOYSA-N 1 0 461.651 3.842 20 0 JHADRO CCCC[N@H+](C)CCn1c(COCC)nnc1N1CCc2cc(Br)ccc2C1 ZINC001306688035 1069425194 /nfs/dbraw/zinc/42/51/94/1069425194.db2.gz NXROXCMTWCCRAL-UHFFFAOYSA-N 1 0 450.425 3.872 20 0 JHADRO CCCCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001306694889 1069432030 /nfs/dbraw/zinc/43/20/30/1069432030.db2.gz FCDVVUXLGRIVEI-NRFANRHFSA-N 1 0 456.418 3.857 20 0 JHADRO O=C(NCCNC(=O)c1ccc(Cl)cc1)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001311538925 1069430925 /nfs/dbraw/zinc/43/09/25/1069430925.db2.gz UAVUKFXDRLGTMB-GIWBLDEGSA-N 1 0 455.002 3.670 20 0 JHADRO CCCCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001306695039 1069431963 /nfs/dbraw/zinc/43/19/63/1069431963.db2.gz MCVHHAYGDFIJSU-UHFFFAOYSA-N 1 0 454.667 3.810 20 0 JHADRO Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)C2)cc1 ZINC001311569420 1069441890 /nfs/dbraw/zinc/44/18/90/1069441890.db2.gz WBBGUORCMQRNPC-UPVQGACJSA-N 1 0 451.615 3.711 20 0 JHADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC001311569526 1069441959 /nfs/dbraw/zinc/44/19/59/1069441959.db2.gz GAZMFLBFWSAESU-XZOQPEGZSA-N 1 0 455.672 3.515 20 0 JHADRO CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001306704190 1069440106 /nfs/dbraw/zinc/44/01/06/1069440106.db2.gz MMRFJDNXLCDDIN-JOCHJYFZSA-N 1 0 470.662 3.757 20 0 JHADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001311565062 1069440233 /nfs/dbraw/zinc/44/02/33/1069440233.db2.gz WAGRMEKSIIRAJV-HSZRJFAPSA-N 1 0 457.018 3.711 20 0 JHADRO CC1CC[NH+]([C@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)c2cccs2)CC1 ZINC001311575803 1069445688 /nfs/dbraw/zinc/44/56/88/1069445688.db2.gz YLYPPBCRJDXBGT-FCHUYYIVSA-N 1 0 454.640 3.964 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1)Cc1ccccc1 ZINC001311570231 1069442727 /nfs/dbraw/zinc/44/27/27/1069442727.db2.gz HDEQUUXSWVJSBZ-LJQANCHMSA-N 1 0 450.505 3.826 20 0 JHADRO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c4ccc(Br)cc34)C2)cc(OC)c1 ZINC001306709633 1069443787 /nfs/dbraw/zinc/44/37/87/1069443787.db2.gz DYMLCYYEOZHRII-MRXNPFEDSA-N 1 0 458.356 3.952 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1)c1cccc(F)c1 ZINC001311572444 1069443946 /nfs/dbraw/zinc/44/39/46/1069443946.db2.gz SLXRPEIHPHAZDJ-SFTDATJTSA-N 1 0 452.530 3.779 20 0 JHADRO COc1cccc([C@H](CNC(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)[NH+]2CCCC2)c1 ZINC001311582951 1069450024 /nfs/dbraw/zinc/45/00/24/1069450024.db2.gz ZJOQQRQHVNUEFZ-RPWUZVMVSA-N 1 0 453.583 3.808 20 0 JHADRO C[C@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001311583988 1069450710 /nfs/dbraw/zinc/45/07/10/1069450710.db2.gz NWGUYOHLQPBKFF-OALUTQOASA-N 1 0 454.681 3.540 20 0 JHADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC001311594922 1069456385 /nfs/dbraw/zinc/45/63/85/1069456385.db2.gz AMSKRTMODCSBHS-HSZRJFAPSA-N 1 0 450.562 3.992 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@@H](CC)[C@H](N2CCOCC2)C1 ZINC001306721571 1069457814 /nfs/dbraw/zinc/45/78/14/1069457814.db2.gz BTVPBJIMXPBKCZ-MOUTVQLLSA-N 1 0 460.711 3.993 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001306721819 1069458381 /nfs/dbraw/zinc/45/83/81/1069458381.db2.gz FGCCWRBWJMJFAV-IBGZPJMESA-N 1 0 472.600 3.951 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306721635 1069458458 /nfs/dbraw/zinc/45/84/58/1069458458.db2.gz CUGCUPXFSARCQB-CTNGQTDRSA-N 1 0 485.629 3.616 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306722794 1069461755 /nfs/dbraw/zinc/46/17/55/1069461755.db2.gz LCPJFLGIBGWXTM-GOTSBHOMSA-N 1 0 482.673 3.913 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001306722823 1069461780 /nfs/dbraw/zinc/46/17/80/1069461780.db2.gz LMRBKDZECLTTIP-MOPGFXCFSA-N 1 0 459.038 3.955 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001306722510 1069461106 /nfs/dbraw/zinc/46/11/06/1069461106.db2.gz IIKQHDNPTIJZSQ-FGZHOGPDSA-N 1 0 458.651 3.568 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(CC)CC ZINC001306722653 1069461185 /nfs/dbraw/zinc/46/11/85/1069461185.db2.gz JRGONKJJRKKWOR-LJQANCHMSA-N 1 0 451.619 3.693 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001306723150 1069462294 /nfs/dbraw/zinc/46/22/94/1069462294.db2.gz QHTUBOYROAZLTE-NLFFAJNJSA-N 1 0 469.634 3.585 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001306724485 1069465132 /nfs/dbraw/zinc/46/51/32/1069465132.db2.gz YCECQSBTGSLALZ-NYUJMHJJSA-N 1 0 486.636 3.914 20 0 JHADRO CC[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)c1ccccc1OCC(=O)N(C)C ZINC001311614111 1069466769 /nfs/dbraw/zinc/46/67/69/1069466769.db2.gz JNOGLFPNXLLDLV-XPNTWCBSSA-N 1 0 458.647 3.901 20 0 JHADRO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cc2c(cc1Br)OCCO2 ZINC001311617814 1069469344 /nfs/dbraw/zinc/46/93/44/1069469344.db2.gz QNHZPSAPEIHNKJ-CVEARBPZSA-N 1 0 452.393 3.941 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001306727804 1069473226 /nfs/dbraw/zinc/47/32/26/1069473226.db2.gz BRYWBVOGZHPGHI-SQJMNOBHSA-N 1 0 489.668 3.971 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001306727961 1069473820 /nfs/dbraw/zinc/47/38/20/1069473820.db2.gz SJUWDMRTNDTGSR-DNQXCXABSA-N 1 0 481.689 3.660 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001306728102 1069474342 /nfs/dbraw/zinc/47/43/42/1069474342.db2.gz SLFXIGZHBIKGGD-WOJBJXKFSA-N 1 0 466.552 3.686 20 0 JHADRO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC001311626125 1069475462 /nfs/dbraw/zinc/47/54/62/1069475462.db2.gz MUHRSUBXORFFJR-QQSVUBKYSA-N 1 0 453.627 3.977 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001306729559 1069478623 /nfs/dbraw/zinc/47/86/23/1069478623.db2.gz KZLDAGXWVZAIGX-VXKWHMMOSA-N 1 0 490.693 3.615 20 0 JHADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC001311634687 1069481467 /nfs/dbraw/zinc/48/14/67/1069481467.db2.gz JOSIJGWCHUZKIU-LJQANCHMSA-N 1 0 452.665 3.542 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](C)[NH+](C)C)C1 ZINC001306730867 1069483550 /nfs/dbraw/zinc/48/35/50/1069483550.db2.gz HVCZLBDPLWMAJX-NJDAHSKKSA-N 1 0 479.673 3.908 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001306731058 1069484479 /nfs/dbraw/zinc/48/44/79/1069484479.db2.gz OKGYZMKNMYSJHZ-XZOQPEGZSA-N 1 0 482.673 3.795 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(C)n3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001306731364 1069485488 /nfs/dbraw/zinc/48/54/88/1069485488.db2.gz JCBVHFHYMHZFMU-LZCXECNNSA-N 1 0 499.729 3.607 20 0 JHADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC001311646987 1069487885 /nfs/dbraw/zinc/48/78/85/1069487885.db2.gz ZHICHEJNCQNAJB-FGZHOGPDSA-N 1 0 452.599 3.825 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001306732845 1069491169 /nfs/dbraw/zinc/49/11/69/1069491169.db2.gz MGPKZGAPAQDHPA-BHDDXSALSA-N 1 0 469.678 3.915 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 ZINC001306732932 1069491652 /nfs/dbraw/zinc/49/16/52/1069491652.db2.gz WXCDNXLMDZACEX-WIOPSUGQSA-N 1 0 459.610 3.706 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 ZINC001306732930 1069491693 /nfs/dbraw/zinc/49/16/93/1069491693.db2.gz WXCDNXLMDZACEX-RDGATRHJSA-N 1 0 459.610 3.706 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC001311664984 1069493958 /nfs/dbraw/zinc/49/39/58/1069493958.db2.gz OUQQHWDMGGDVQB-GBXCKJPGSA-N 1 0 457.578 3.901 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC001311688772 1069504021 /nfs/dbraw/zinc/50/40/21/1069504021.db2.gz DFIGQAPMFDCLMU-INIZCTEOSA-N 1 0 450.052 3.845 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001306737980 1069508124 /nfs/dbraw/zinc/50/81/24/1069508124.db2.gz XUEZIPSAKVXWFY-SFTDATJTSA-N 1 0 469.678 3.916 20 0 JHADRO CCCCOc1ncccc1CNC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC001311708788 1069512711 /nfs/dbraw/zinc/51/27/11/1069512711.db2.gz SDIBBKDHXZRMJK-UHFFFAOYSA-N 1 0 453.587 3.683 20 0 JHADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001311713221 1069515048 /nfs/dbraw/zinc/51/50/48/1069515048.db2.gz KXNKHMZHAIQOEU-MSOLQXFVSA-N 1 0 451.354 3.828 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001306740935 1069515212 /nfs/dbraw/zinc/51/52/12/1069515212.db2.gz XDYCVNFQFKVZPD-JTHBVZDNSA-N 1 0 469.678 3.537 20 0 JHADRO COc1cc(OC)c(C[C@@H](C)NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC001311720529 1069519021 /nfs/dbraw/zinc/51/90/21/1069519021.db2.gz VOTIUZPMCJKBJQ-GOSISDBHSA-N 1 0 455.599 3.780 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001306743714 1069523178 /nfs/dbraw/zinc/52/31/78/1069523178.db2.gz DWIGZIVXJNWUJO-OAQYLSRUSA-N 1 0 469.678 3.774 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC001306745203 1069526931 /nfs/dbraw/zinc/52/69/31/1069526931.db2.gz ZZLFMUPKRBPTTK-UHFFFAOYSA-N 1 0 476.735 3.896 20 0 JHADRO COc1ccc([C@@H]2CN(C(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)CCO2)cc1OC ZINC001311745737 1069530995 /nfs/dbraw/zinc/53/09/95/1069530995.db2.gz FAKMODMJGHBCDY-BWKNWUBXSA-N 1 0 453.583 3.699 20 0 JHADRO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)NC[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001311747752 1069531623 /nfs/dbraw/zinc/53/16/23/1069531623.db2.gz LTPPGFVFCXLQQK-VRUMLPLGSA-N 1 0 456.631 3.987 20 0 JHADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001311765755 1069538630 /nfs/dbraw/zinc/53/86/30/1069538630.db2.gz OQWLFLVESZHNCF-HXUWFJFHSA-N 1 0 456.537 3.946 20 0 JHADRO C[C@@H](CNC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC001311788956 1069545817 /nfs/dbraw/zinc/54/58/17/1069545817.db2.gz PUOKNWBTMFXBDH-FQEVSTJZSA-N 1 0 454.590 3.599 20 0 JHADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001311796500 1069549772 /nfs/dbraw/zinc/54/97/72/1069549772.db2.gz BRJLRTYFLXQTDK-QGZVFWFLSA-N 1 0 451.409 3.792 20 0 JHADRO C[C@@H](NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819816 1069559764 /nfs/dbraw/zinc/55/97/64/1069559764.db2.gz LZGYNPQBVGHOTP-XXBNENTESA-N 1 0 456.606 3.740 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)NCCNC(=O)CC3CCCCC3)cc2)C[C@H](C)O1 ZINC001311820707 1069560361 /nfs/dbraw/zinc/56/03/61/1069560361.db2.gz PMYAUORVXIIVQZ-OYRHEFFESA-N 1 0 458.647 3.524 20 0 JHADRO 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CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ncccc2C)C1 ZINC001306778698 1069574287 /nfs/dbraw/zinc/57/42/87/1069574287.db2.gz AXJJLBRXRUTPID-HXUWFJFHSA-N 1 0 464.614 3.882 20 0 JHADRO CC[N@H+](CCCNC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1)C1CCCCC1 ZINC001311841347 1069574537 /nfs/dbraw/zinc/57/45/37/1069574537.db2.gz TZLROBPXHHGIFY-UHFFFAOYSA-N 1 0 458.647 3.573 20 0 JHADRO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)cc2)cc1 ZINC001311845830 1069576435 /nfs/dbraw/zinc/57/64/35/1069576435.db2.gz BHKNOUKIVUKGFZ-FCHUYYIVSA-N 1 0 453.627 3.992 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC001306780245 1069576734 /nfs/dbraw/zinc/57/67/34/1069576734.db2.gz AIIKESBQSHFIJM-HKUYNNGSSA-N 1 0 478.037 3.669 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC=CCC2)C1 ZINC001306780264 1069577198 /nfs/dbraw/zinc/57/71/98/1069577198.db2.gz MIUPRXJCGWMNEK-RTWAWAEBSA-N 1 0 471.671 3.873 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(NC(C)=O)cc2)C1 ZINC001306781187 1069578818 /nfs/dbraw/zinc/57/88/18/1069578818.db2.gz HSASWSZLVYCAHO-ISKFKSNPSA-N 1 0 468.646 3.889 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)Nc2ccccc2)C1 ZINC001306780606 1069577653 /nfs/dbraw/zinc/57/76/53/1069577653.db2.gz DEJPHUHUJVAEPT-UNMCSNQZSA-N 1 0 454.619 3.717 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001306780447 1069577731 /nfs/dbraw/zinc/57/77/31/1069577731.db2.gz NPZXRRAHIBOVIK-XHDOVSQSSA-N 1 0 499.523 3.751 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2OCC[C@H]2C)C1 ZINC001306780405 1069577856 /nfs/dbraw/zinc/57/78/56/1069577856.db2.gz NGXUYKOCAQJPOD-JTDSTZFVSA-N 1 0 465.440 3.629 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(C(C)(C)C)no2)C1 ZINC001306780831 1069578259 /nfs/dbraw/zinc/57/82/59/1069578259.db2.gz QJIHROLQLHQCIL-FNZWTVRRSA-N 1 0 488.677 3.821 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCSC2)C1 ZINC001306783407 1069582515 /nfs/dbraw/zinc/58/25/15/1069582515.db2.gz HDPSOEDDUYDNDZ-JTSKRJEESA-N 1 0 494.503 3.744 20 0 JHADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1cc(OC)c(OC)cc1Br)c1ccco1 ZINC001311858851 1069584495 /nfs/dbraw/zinc/58/44/95/1069584495.db2.gz SRJZGCLTBLUQFC-CJNGLKHVSA-N 1 0 454.365 3.988 20 0 JHADRO CSc1nnc(CCCNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)n1C1CCCC1 ZINC001311870286 1069588392 /nfs/dbraw/zinc/58/83/92/1069588392.db2.gz VBHBTGKJEWLPGO-UHFFFAOYSA-N 1 0 457.648 3.659 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](CC)NC(=O)OC(C)(C)C)C1 ZINC001306784418 1069584779 /nfs/dbraw/zinc/58/47/79/1069584779.db2.gz MJAUXJNFAWFGQH-FPOVZHCZSA-N 1 0 471.650 3.812 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2nc(C(F)(F)F)cs2)C1 ZINC001306786160 1069588453 /nfs/dbraw/zinc/58/84/53/1069588453.db2.gz UJPFVXIQMOQLLD-AWEZNQCLSA-N 1 0 453.538 3.965 20 0 JHADRO 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CCC[N@H+](CC)CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001306802698 1069610039 /nfs/dbraw/zinc/61/00/39/1069610039.db2.gz ORBSEEXGQJZEJI-MBSDFSHPSA-N 1 0 492.462 3.824 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001306803136 1069610773 /nfs/dbraw/zinc/61/07/73/1069610773.db2.gz WCIHEXRUYXAHFH-CPJSRVTESA-N 1 0 459.610 3.514 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001306803292 1069611365 /nfs/dbraw/zinc/61/13/65/1069611365.db2.gz VMQDTEOYHGAFJE-VQTJNVASSA-N 1 0 489.462 3.687 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(OC)C1 ZINC001306803418 1069611402 /nfs/dbraw/zinc/61/14/02/1069611402.db2.gz WSAPWGUAHRXZTB-HXUWFJFHSA-N 1 0 453.429 3.773 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2c[nH]c3ccccc32)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306804576 1069614527 /nfs/dbraw/zinc/61/45/27/1069614527.db2.gz KXNPVUJQTXCEJF-UHFFFAOYSA-N 1 0 465.646 3.853 20 0 JHADRO 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CCC[N@H+](CC)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001306806864 1069620273 /nfs/dbraw/zinc/62/02/73/1069620273.db2.gz KRTZTNQJZVNKOO-UHFFFAOYSA-N 1 0 475.066 3.504 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001306807097 1069620759 /nfs/dbraw/zinc/62/07/59/1069620759.db2.gz OGAAQSRJNIZFFE-UHFFFAOYSA-N 1 0 481.689 3.967 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001314154304 1069622944 /nfs/dbraw/zinc/62/29/44/1069622944.db2.gz YZSUPQIDKNJGGW-KCVHQNEMSA-N 1 0 489.636 3.624 20 0 JHADRO CCOc1cc(C)ccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001314155417 1069625457 /nfs/dbraw/zinc/62/54/57/1069625457.db2.gz LNEFBOBUGDNQDH-UHFFFAOYSA-N 1 0 465.646 3.991 20 0 JHADRO C[NH+](C)CC[C@H](NC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)C(C)(C)C ZINC001311954995 1069633898 /nfs/dbraw/zinc/63/38/98/1069633898.db2.gz UTOFLJYUNVKVPL-YWZLYKJASA-N 1 0 452.562 3.984 20 0 JHADRO CCOc1cc(C)nc(N2CCN(c3nnc(CC)n3Cc3ccccc3C[N@H+](C)C(C)C)CC2)n1 ZINC001314161709 1069648887 /nfs/dbraw/zinc/64/88/87/1069648887.db2.gz OKIWKSRKMFCIHY-UHFFFAOYSA-N 1 0 492.672 3.553 20 0 JHADRO COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)c1C ZINC001306827539 1069646579 /nfs/dbraw/zinc/64/65/79/1069646579.db2.gz UMNMJEXRJGSIQH-UHFFFAOYSA-N 1 0 456.587 3.526 20 0 JHADRO C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccnc1 ZINC001311990088 1069653426 /nfs/dbraw/zinc/65/34/26/1069653426.db2.gz PDFAIOSJEUNLCG-FXAWDEMLSA-N 1 0 451.493 3.551 20 0 JHADRO CCC(CC)(CNC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC001311993528 1069656218 /nfs/dbraw/zinc/65/62/18/1069656218.db2.gz JMESRLDEGHNUTQ-FQEVSTJZSA-N 1 0 451.615 3.527 20 0 JHADRO C[NH+](C)C[C@H](NC(=O)NCCCNC(=O)c1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC001311995551 1069657493 /nfs/dbraw/zinc/65/74/93/1069657493.db2.gz QADHIJKYYRYRGO-IBGZPJMESA-N 1 0 454.468 3.567 20 0 JHADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC001312004235 1069663968 /nfs/dbraw/zinc/66/39/68/1069663968.db2.gz XESYCYUIAAZWGX-LPHOPBHVSA-N 1 0 456.450 3.687 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2CCCN(c3cc[nH+]cc3)CC2)(c2ccccc2)C1 ZINC001306864218 1069665665 /nfs/dbraw/zinc/66/56/65/1069665665.db2.gz MSTOHDWCATWOGN-SANMLTNESA-N 1 0 450.583 3.699 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001314168241 1069671801 /nfs/dbraw/zinc/67/18/01/1069671801.db2.gz NDZSEJWXQUYBHO-FQEVSTJZSA-N 1 0 481.645 3.843 20 0 JHADRO COc1ccc(F)cc1CN1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC001312011891 1069668949 /nfs/dbraw/zinc/66/89/49/1069668949.db2.gz KOJNHDFVOLAJRP-DEOSSOPVSA-N 1 0 454.590 3.889 20 0 JHADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)N[C@H]2CCOC3(CCCC3)C2)CC1 ZINC001312027507 1069682539 /nfs/dbraw/zinc/68/25/39/1069682539.db2.gz UTHRWPRNZFRLTO-IBGZPJMESA-N 1 0 454.537 3.748 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H](C4CCOCC4)C3)n2CC[N@H+](C)C(C)C)cc1OC ZINC001314170782 1069682349 /nfs/dbraw/zinc/68/23/49/1069682349.db2.gz UVFPROHBBMYAEQ-QFIPXVFZSA-N 1 0 471.646 3.946 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](CC)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1OC ZINC001314170875 1069683477 /nfs/dbraw/zinc/68/34/77/1069683477.db2.gz WGBZAMXZQISQPT-DYXWJJEUSA-N 1 0 457.619 3.840 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](OC)C2CC2)cc1OC ZINC001314171756 1069686725 /nfs/dbraw/zinc/68/67/25/1069686725.db2.gz AXHXHDRVMRFXHU-QHCPKHFHSA-N 1 0 457.619 3.698 20 0 JHADRO O=C(NCCCCSc1ccccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001312045493 1069691230 /nfs/dbraw/zinc/69/12/30/1069691230.db2.gz KIUVWONDVWIOSD-KRWDZBQOSA-N 1 0 456.450 3.685 20 0 JHADRO O=C(NCCCCSc1ccccc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001312045494 1069691238 /nfs/dbraw/zinc/69/12/38/1069691238.db2.gz KIUVWONDVWIOSD-QGZVFWFLSA-N 1 0 456.450 3.685 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC001312055707 1069696034 /nfs/dbraw/zinc/69/60/34/1069696034.db2.gz QQGMINZAJIDCJQ-OAQYLSRUSA-N 1 0 451.453 3.977 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CC[N@H+](C)C2CCCCC2)cc1OC ZINC001314173482 1069693526 /nfs/dbraw/zinc/69/35/26/1069693526.db2.gz GIMSNGDQSNVRAQ-IBGZPJMESA-N 1 0 457.619 3.842 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001307004368 1069698928 /nfs/dbraw/zinc/69/89/28/1069698928.db2.gz BQENHGSPYYCQST-NQIIRXRSSA-N 1 0 458.582 3.531 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC2CCN(C(C)=O)CC2)cc1OC ZINC001314175910 1069703966 /nfs/dbraw/zinc/70/39/66/1069703966.db2.gz GJFKOCGHKAOPDW-UHFFFAOYSA-N 1 0 498.672 3.578 20 0 JHADRO C[NH+](C)C[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC001312069373 1069704218 /nfs/dbraw/zinc/70/42/18/1069704218.db2.gz STZOZLKJZQOZIA-QZTJIDSGSA-N 1 0 458.525 3.911 20 0 JHADRO CCCN(CCC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001307008846 1069705023 /nfs/dbraw/zinc/70/50/23/1069705023.db2.gz NWWLTUZPAIIFBP-NHCUHLMSSA-N 1 0 478.682 3.945 20 0 JHADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)[C@@H]1c1cccs1 ZINC001312073675 1069707012 /nfs/dbraw/zinc/70/70/12/1069707012.db2.gz BLPNMTFCVJWSSQ-XMSQKQJNSA-N 1 0 458.603 3.874 20 0 JHADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)NCC1(c2ccccc2Br)CC1 ZINC001312078585 1069710382 /nfs/dbraw/zinc/71/03/82/1069710382.db2.gz MJXYOTUOODTWQW-KRWDZBQOSA-N 1 0 450.421 3.766 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC(=O)NC2CCCCC2)cc1OC ZINC001314177246 1069710584 /nfs/dbraw/zinc/71/05/84/1069710584.db2.gz OKNMMHDWKDCRBX-UHFFFAOYSA-N 1 0 498.672 3.768 20 0 JHADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC001312095388 1069718021 /nfs/dbraw/zinc/71/80/21/1069718021.db2.gz ONSOTZUWHLNBPC-INIZCTEOSA-N 1 0 457.482 3.645 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCCC(F)(F)F)cc1OC ZINC001314179371 1069718880 /nfs/dbraw/zinc/71/88/80/1069718880.db2.gz LXNZIXPBZNKNEJ-SFHVURJKSA-N 1 0 497.562 3.853 20 0 JHADRO CCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001307015633 1069722739 /nfs/dbraw/zinc/72/27/39/1069722739.db2.gz WZDJASKZTISXNZ-LJQANCHMSA-N 1 0 455.582 3.765 20 0 JHADRO CCOc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001314181036 1069724537 /nfs/dbraw/zinc/72/45/37/1069724537.db2.gz AMNRFXUEPFABMZ-FQEVSTJZSA-N 1 0 484.645 3.537 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001314181989 1069726658 /nfs/dbraw/zinc/72/66/58/1069726658.db2.gz YXLHCPUJFPNMPW-NRFANRHFSA-N 1 0 479.629 3.899 20 0 JHADRO CCOc1ccc([C@H]2CCCN2c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001314182668 1069729932 /nfs/dbraw/zinc/72/99/32/1069729932.db2.gz LXZOLHQWZWKCAU-IYSOMAHNSA-N 1 0 457.619 3.692 20 0 JHADRO CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307023372 1069731203 /nfs/dbraw/zinc/73/12/03/1069731203.db2.gz FCASPUAEPKFSFL-GOTSBHOMSA-N 1 0 498.672 3.955 20 0 JHADRO C[C@H]1CN(C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CC[N@@H+](C2CCC2)C1 ZINC001312127034 1069734263 /nfs/dbraw/zinc/73/42/63/1069734263.db2.gz CDULUBSEIHOYCE-NTKDMRAZSA-N 1 0 455.624 3.695 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001312128832 1069736072 /nfs/dbraw/zinc/73/60/72/1069736072.db2.gz KVAHVCUQGAAINL-UNMCSNQZSA-N 1 0 456.631 3.940 20 0 JHADRO Cc1ccc([C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001312131343 1069738050 /nfs/dbraw/zinc/73/80/50/1069738050.db2.gz LFTFCSDXBRNIKJ-YKSBVNFPSA-N 1 0 455.624 3.615 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C)[C@H](OC)C2)C1 ZINC001307029442 1069737109 /nfs/dbraw/zinc/73/71/09/1069737109.db2.gz LSNJTYGJNYJCFP-UNWVZKJWSA-N 1 0 468.646 3.740 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](NC(=O)OCC)C2)CC1 ZINC001307030327 1069738602 /nfs/dbraw/zinc/73/86/02/1069738602.db2.gz AUZLWGHBCAOAEY-JOCHJYFZSA-N 1 0 484.645 3.791 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001307030822 1069739898 /nfs/dbraw/zinc/73/98/98/1069739898.db2.gz FONSFWVEQTXQFO-PMACEKPBSA-N 1 0 457.619 3.698 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001307030824 1069740186 /nfs/dbraw/zinc/74/01/86/1069740186.db2.gz FONSFWVEQTXQFO-VQTJNVASSA-N 1 0 457.619 3.698 20 0 JHADRO CC[C@H]1Oc2cc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc3cccc(OC)c3)ccc2NC1=O ZINC001312135083 1069740732 /nfs/dbraw/zinc/74/07/32/1069740732.db2.gz MPFWAMSCHFKVGM-HTAPYJJXSA-N 1 0 454.571 3.639 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001307031980 1069743184 /nfs/dbraw/zinc/74/31/84/1069743184.db2.gz PFIBVRSKZMKIOR-IBGZPJMESA-N 1 0 459.038 3.683 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C)nnc2N(C)Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC001307031820 1069742252 /nfs/dbraw/zinc/74/22/52/1069742252.db2.gz HHJRULMSFUHYNQ-UHFFFAOYSA-N 1 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JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)CC)nnc2N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC001307035168 1069752917 /nfs/dbraw/zinc/75/29/17/1069752917.db2.gz JVUQVWWAHKVLDF-SFTDATJTSA-N 1 0 452.647 3.922 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](CNC(C)=O)C2)C1 ZINC001307036002 1069755173 /nfs/dbraw/zinc/75/51/73/1069755173.db2.gz WHFPBJBEKYSAIM-PMACEKPBSA-N 1 0 459.038 3.683 20 0 JHADRO CCC[N@H+](CC)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001312156468 1069755632 /nfs/dbraw/zinc/75/56/32/1069755632.db2.gz BWCMHYDJIFZUOH-NRFANRHFSA-N 1 0 452.020 3.864 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001307036387 1069756407 /nfs/dbraw/zinc/75/64/07/1069756407.db2.gz XYJMZHWFOQHGKA-NQIIRXRSSA-N 1 0 480.078 3.734 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCc3c(F)cc(F)cc3C2)C1 ZINC001307036776 1069756838 /nfs/dbraw/zinc/75/68/38/1069756838.db2.gz YJVOSIXLKCJJIJ-ROUUACIJSA-N 1 0 463.573 3.575 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](OCCOC)C2)C1 ZINC001307036429 1069756883 /nfs/dbraw/zinc/75/68/83/1069756883.db2.gz ZDDRKPHKGFTCLX-IAGOWNOFSA-N 1 0 498.491 3.743 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC001307038285 1069760844 /nfs/dbraw/zinc/76/08/44/1069760844.db2.gz CNULRZDTQFCOOG-FQEVSTJZSA-N 1 0 473.065 3.824 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccn3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC001307038439 1069761594 /nfs/dbraw/zinc/76/15/94/1069761594.db2.gz JCMXCBTVXAHEIF-FGZHOGPDSA-N 1 0 475.641 3.728 20 0 JHADRO CCNC(=O)COc1cccc(CNC(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC001312171151 1069764065 /nfs/dbraw/zinc/76/40/65/1069764065.db2.gz CMRJWBYTQNPZSF-REWPJTCUSA-N 1 0 452.599 3.569 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001307039332 1069764330 /nfs/dbraw/zinc/76/43/30/1069764330.db2.gz QMGCLWAQLZXTPE-IBGZPJMESA-N 1 0 459.038 3.683 20 0 JHADRO CC(C)[NH+](CCCNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)C(C)C ZINC001312181387 1069769046 /nfs/dbraw/zinc/76/90/46/1069769046.db2.gz HJHAPKYQQSFBSZ-UHFFFAOYSA-N 1 0 457.432 3.924 20 0 JHADRO CC(C)[C@@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H](O)c1ccc(Cl)cc1 ZINC001312177474 1069767567 /nfs/dbraw/zinc/76/75/67/1069767567.db2.gz GACSLMHPMIZJPD-FGZHOGPDSA-N 1 0 452.039 3.980 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001307041680 1069769166 /nfs/dbraw/zinc/76/91/66/1069769166.db2.gz HFCDIVQAUCCUFN-FPOVZHCZSA-N 1 0 476.666 3.745 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001307040750 1069767745 /nfs/dbraw/zinc/76/77/45/1069767745.db2.gz DRWQCSYZSPEWFG-TZIWHRDSSA-N 1 0 481.563 3.571 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001307040747 1069767919 /nfs/dbraw/zinc/76/79/19/1069767919.db2.gz DRWQCSYZSPEWFG-CTNGQTDRSA-N 1 0 481.563 3.571 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001307041207 1069768445 /nfs/dbraw/zinc/76/84/45/1069768445.db2.gz RWEVQAQAOBNUKE-DEOSSOPVSA-N 1 0 494.606 3.916 20 0 JHADRO C[N@H+](CCNC(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)Cc1ccc(F)cc1 ZINC001312187524 1069771204 /nfs/dbraw/zinc/77/12/04/1069771204.db2.gz OVZYIXCWUQMZNH-QFIPXVFZSA-N 1 0 453.480 3.977 20 0 JHADRO C[N@H+](CCNC(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)Cc1ccc(F)cc1 ZINC001312187520 1069771267 /nfs/dbraw/zinc/77/12/67/1069771267.db2.gz OVZYIXCWUQMZNH-JOCHJYFZSA-N 1 0 453.480 3.977 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CCCc3ccccc3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001307042417 1069772066 /nfs/dbraw/zinc/77/20/66/1069772066.db2.gz QDPGJDCVSROOGY-UHFFFAOYSA-N 1 0 467.658 3.965 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCOC3)nnc2N(C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC001307042302 1069772337 /nfs/dbraw/zinc/77/23/37/1069772337.db2.gz FGNBKOYQWVEBPD-JOCHJYFZSA-N 1 0 468.646 3.596 20 0 JHADRO C[C@H](CCNC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC001312189196 1069772639 /nfs/dbraw/zinc/77/26/39/1069772639.db2.gz KKPWQMLRJQDETF-RLWLMLJZSA-N 1 0 452.599 3.997 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccoc2C)CC1 ZINC001307042814 1069773113 /nfs/dbraw/zinc/77/31/13/1069773113.db2.gz VFCNJPKNLVJTIO-UHFFFAOYSA-N 1 0 470.643 3.929 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307043055 1069773823 /nfs/dbraw/zinc/77/38/23/1069773823.db2.gz YGIFDIFWNIHFGF-DHIUTWEWSA-N 1 0 482.673 3.899 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCO[C@@H](c3ccc(Cl)s3)C2)C1 ZINC001307043777 1069775153 /nfs/dbraw/zinc/77/51/53/1069775153.db2.gz AZYWUBSOIZEPOI-DLBZAZTESA-N 1 0 454.040 3.839 20 0 JHADRO CC[C@@H](CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)Oc1cccc(C(F)(F)F)c1 ZINC001312204751 1069779498 /nfs/dbraw/zinc/77/94/98/1069779498.db2.gz LFHJCVKYRPZZTK-FQEVSTJZSA-N 1 0 456.553 3.532 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCC[C@H](OC)C2)C1 ZINC001307043818 1069775788 /nfs/dbraw/zinc/77/57/88/1069775788.db2.gz BPYIXTUHTAKMJI-NQIIRXRSSA-N 1 0 492.462 3.967 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCC[C@@H](OC)C2)C1 ZINC001307043817 1069776018 /nfs/dbraw/zinc/77/60/18/1069776018.db2.gz BPYIXTUHTAKMJI-GHTZIAJQSA-N 1 0 492.462 3.967 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(CC)cc3)n2CCN2CCOCC2(C)C)CC1 ZINC001307044933 1069779811 /nfs/dbraw/zinc/77/98/11/1069779811.db2.gz ATULBELMXALHCC-UHFFFAOYSA-N 1 0 468.690 3.929 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001307044654 1069778870 /nfs/dbraw/zinc/77/88/70/1069778870.db2.gz HXZLKYMUVLUCHG-LEWJYISDSA-N 1 0 478.682 3.630 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N3CCC(NC(=O)c4ccoc4C)CC3)nnc2C(C)(C)C)CC1 ZINC001307045924 1069783275 /nfs/dbraw/zinc/78/32/75/1069783275.db2.gz HYCXNKYXIJKHAZ-UHFFFAOYSA-N 1 0 470.662 3.998 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C(C)=O)C[C@@H]3C)n2CC[NH+]2CCCCCC2)cc1 ZINC001314198409 1069783332 /nfs/dbraw/zinc/78/33/32/1069783332.db2.gz MEZKCEDQDLXTRI-FCHUYYIVSA-N 1 0 498.672 3.750 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2CCCc2cnn(C)c2)CC1 ZINC001307046067 1069783844 /nfs/dbraw/zinc/78/38/44/1069783844.db2.gz QKFYNVCMMVOPQI-UHFFFAOYSA-N 1 0 457.026 3.670 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cc(C)no2)CC1 ZINC001307046294 1069784470 /nfs/dbraw/zinc/78/44/70/1069784470.db2.gz WHCXTIYFTVXWEH-UHFFFAOYSA-N 1 0 454.575 3.618 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001307046610 1069784546 /nfs/dbraw/zinc/78/45/46/1069784546.db2.gz WTKWQVBXAVIFBN-LADGPHEKSA-N 1 0 455.647 3.870 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCN(C3=NCC(C)(C)S3)CC2)CC1 ZINC001307046503 1069785263 /nfs/dbraw/zinc/78/52/63/1069785263.db2.gz ZPPMUWIUILIXIC-UHFFFAOYSA-N 1 0 475.751 3.992 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2nc3ccsc3c(=O)[nH]2)C1 ZINC001307046420 1069785397 /nfs/dbraw/zinc/78/53/97/1069785397.db2.gz ZFHMCXJPHRSFLB-INIZCTEOSA-N 1 0 457.648 3.945 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)C1 ZINC001307047377 1069789021 /nfs/dbraw/zinc/78/90/21/1069789021.db2.gz ZAEUPABTXQHRTA-MSOLQXFVSA-N 1 0 469.556 3.603 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3C)n2CCNC(=O)c2cccs2)CC1 ZINC001307048109 1069792727 /nfs/dbraw/zinc/79/27/27/1069792727.db2.gz NFLMLEVPFYTLQN-UHFFFAOYSA-N 1 0 480.682 3.979 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001314201061 1069794007 /nfs/dbraw/zinc/79/40/07/1069794007.db2.gz MXGQIOSQHGHKAV-IFMALSPDSA-N 1 0 498.672 3.796 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCS(=O)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001314201821 1069798367 /nfs/dbraw/zinc/79/83/67/1069798367.db2.gz JYZYSPZCFOPTIQ-NFBKMPQASA-N 1 0 489.686 3.506 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2conc2COC)cc1 ZINC001314201922 1069798866 /nfs/dbraw/zinc/79/88/66/1069798866.db2.gz WPUYVVVOMJVMHP-LJQANCHMSA-N 1 0 498.628 3.920 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(Br)c3)n2CCNC(=O)C(C)C)CC1 ZINC001307049293 1069796583 /nfs/dbraw/zinc/79/65/83/1069796583.db2.gz INNZPQQSCSMSMP-UHFFFAOYSA-N 1 0 491.478 3.790 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COCC)n2Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC001307050731 1069801567 /nfs/dbraw/zinc/80/15/67/1069801567.db2.gz FMQHNNPVQYABJE-UHFFFAOYSA-N 1 0 464.010 3.598 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCCN(CC)C(=O)C3)n2C[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001314202441 1069802354 /nfs/dbraw/zinc/80/23/54/1069802354.db2.gz QHLVEKZMEKCBQW-FCHUYYIVSA-N 1 0 498.672 3.750 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](CC)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001314202569 1069802814 /nfs/dbraw/zinc/80/28/14/1069802814.db2.gz MRQUISGUMCCTBO-SFTDATJTSA-N 1 0 487.645 3.543 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)COC)CC1 ZINC001307051414 1069803490 /nfs/dbraw/zinc/80/34/90/1069803490.db2.gz MYVQYMWITWHACL-CTNGQTDRSA-N 1 0 478.682 3.943 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001307053238 1069811056 /nfs/dbraw/zinc/81/10/56/1069811056.db2.gz BWBDVMQBPHJEAY-NRFANRHFSA-N 1 0 488.080 3.953 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2CCc2c(C)cccc2C)CC1 ZINC001307053492 1069811753 /nfs/dbraw/zinc/81/17/53/1069811753.db2.gz PYSNQFCTVFNYBH-UHFFFAOYSA-N 1 0 452.647 3.571 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001307053954 1069815423 /nfs/dbraw/zinc/81/54/23/1069815423.db2.gz GZYNUNOZIXAEEM-FXAWDEMLSA-N 1 0 491.478 3.790 20 0 JHADRO CCOc1cccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC001314206428 1069817493 /nfs/dbraw/zinc/81/74/93/1069817493.db2.gz JSOMHWRNWQXSJG-MNHFLQJXSA-N 1 0 471.646 3.562 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(C)O)CC1 ZINC001307054594 1069817772 /nfs/dbraw/zinc/81/77/72/1069817772.db2.gz GBAWMHLOLQNPGP-HXUWFJFHSA-N 1 0 492.709 3.864 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001307055945 1069823757 /nfs/dbraw/zinc/82/37/57/1069823757.db2.gz RMTODULVWBGQCZ-PKTZIBPZSA-N 1 0 452.647 3.951 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001307055551 1069822964 /nfs/dbraw/zinc/82/29/64/1069822964.db2.gz QAQJMPMCIUZUNB-RZUBCFFCSA-N 1 0 490.096 3.803 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001307055007 1069819299 /nfs/dbraw/zinc/81/92/99/1069819299.db2.gz MWQPUBGAQZBOEU-NHCUHLMSSA-N 1 0 455.603 3.608 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001307055930 1069823499 /nfs/dbraw/zinc/82/34/99/1069823499.db2.gz RFSQRSHWWOVWBN-RTBURBONSA-N 1 0 477.556 3.810 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001307055117 1069820429 /nfs/dbraw/zinc/82/04/29/1069820429.db2.gz OSGNEGYFFGRVPP-QFBILLFUSA-N 1 0 477.451 3.672 20 0 JHADRO COc1cc(CCNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(OC)c1OCc1ccccc1 ZINC001312272688 1069828338 /nfs/dbraw/zinc/82/83/38/1069828338.db2.gz IGHGINWXOGZQKP-NQIIRXRSSA-N 1 0 453.583 3.750 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001307056375 1069825883 /nfs/dbraw/zinc/82/58/83/1069825883.db2.gz SJMZWMGDTIERSV-AZUAARDMSA-N 1 0 452.603 3.774 20 0 JHADRO CC(C)C[C@@H](CNC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)[NH2+][C@H](C)c1ccccc1 ZINC001312268621 1069826009 /nfs/dbraw/zinc/82/60/09/1069826009.db2.gz AFUZNLZMHAHDNI-JYBIWHBTSA-N 1 0 456.553 3.850 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001307056265 1069826241 /nfs/dbraw/zinc/82/62/41/1069826241.db2.gz RUAADEIFRBVHQA-OAQYLSRUSA-N 1 0 455.647 3.758 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001307057021 1069830963 /nfs/dbraw/zinc/83/09/63/1069830963.db2.gz USSUGHWHNPZOPH-JOCHJYFZSA-N 1 0 468.646 3.700 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001307056899 1069830998 /nfs/dbraw/zinc/83/09/98/1069830998.db2.gz CVBWZXRFOSRBRC-PKTZIBPZSA-N 1 0 497.688 3.879 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001307057107 1069831614 /nfs/dbraw/zinc/83/16/14/1069831614.db2.gz HDIUKBKUXUWERS-QFIPXVFZSA-N 1 0 456.610 3.643 20 0 JHADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N(Cc1cccc(Br)c1)CC1CC1 ZINC001312280900 1069834622 /nfs/dbraw/zinc/83/46/22/1069834622.db2.gz KAVYWLDARMOKBL-LEWJYISDSA-N 1 0 450.421 3.749 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCOC3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 ZINC001307057673 1069835375 /nfs/dbraw/zinc/83/53/75/1069835375.db2.gz WXFKRBAVSBNVHW-IRLDBZIGSA-N 1 0 455.647 3.980 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC001307057883 1069835595 /nfs/dbraw/zinc/83/55/95/1069835595.db2.gz KRQJXUMKHBTLKB-MREZVBMPSA-N 1 0 473.687 3.981 20 0 JHADRO C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)c1noc(-c2ccccc2)n1 ZINC001312283617 1069836403 /nfs/dbraw/zinc/83/64/03/1069836403.db2.gz HKYPIFSWJXYOMF-VLCRHTCISA-N 1 0 454.619 3.776 20 0 JHADRO C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)c1noc(-c2ccccc2)n1 ZINC001312283608 1069836865 /nfs/dbraw/zinc/83/68/65/1069836865.db2.gz HKYPIFSWJXYOMF-BWAGFHJFSA-N 1 0 454.619 3.776 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001307058715 1069840097 /nfs/dbraw/zinc/84/00/97/1069840097.db2.gz PYYYSJOALFOPSW-FCHUYYIVSA-N 1 0 458.695 3.874 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001307058692 1069840580 /nfs/dbraw/zinc/84/05/80/1069840580.db2.gz PUZSZLHUQGOWSM-HSZRJFAPSA-N 1 0 458.695 3.970 20 0 JHADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001312289816 1069841123 /nfs/dbraw/zinc/84/11/23/1069841123.db2.gz WQGOUTNDVXIHBO-TWJOJJKGSA-N 1 0 451.611 3.700 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](COC)C1 ZINC001307058258 1069838675 /nfs/dbraw/zinc/83/86/75/1069838675.db2.gz ZBEZTOYORQXZER-TZIWHRDSSA-N 1 0 457.619 3.700 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCSC)CC1 ZINC001307058372 1069838863 /nfs/dbraw/zinc/83/88/63/1069838863.db2.gz ZUMNHBSINWDYJO-HXUWFJFHSA-N 1 0 496.722 3.650 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001307059060 1069843262 /nfs/dbraw/zinc/84/32/62/1069843262.db2.gz SWMBFAQMCWOSLD-RTWAWAEBSA-N 1 0 457.619 3.787 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001307059706 1069845465 /nfs/dbraw/zinc/84/54/65/1069845465.db2.gz ZBZDSGWFMONBFH-PZJWPPBQSA-N 1 0 490.718 3.976 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001307059758 1069846771 /nfs/dbraw/zinc/84/67/71/1069846771.db2.gz ZYPXLPIXINSBMI-IFMALSPDSA-N 1 0 473.065 3.879 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001307061020 1069850901 /nfs/dbraw/zinc/85/09/01/1069850901.db2.gz DGBXCFNXQHCRKX-NRFANRHFSA-N 1 0 468.646 3.523 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCC[C@@H]2C)CC1=O ZINC001307061916 1069856309 /nfs/dbraw/zinc/85/63/09/1069856309.db2.gz RPDZAIGJSCASIH-JTHBVZDNSA-N 1 0 482.673 3.968 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC001312313579 1069856583 /nfs/dbraw/zinc/85/65/83/1069856583.db2.gz FLTDHHDMCGBJJK-FGTMMUONSA-N 1 0 450.986 3.880 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@]1(O)CCC[C@@H]1C ZINC001314217985 1069856544 /nfs/dbraw/zinc/85/65/44/1069856544.db2.gz QZLWIGZXHVAQNT-HJJDGDTKSA-N 1 0 471.646 3.726 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[N@H+](C)C(C)C ZINC001314218179 1069857400 /nfs/dbraw/zinc/85/74/00/1069857400.db2.gz SGIZUQMHSQAKJW-FXAWDEMLSA-N 1 0 485.551 3.752 20 0 JHADRO C[C@H]1C[C@H](CCNC(=O)N2CCC(NC(=O)c3ccsc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312315663 1069858178 /nfs/dbraw/zinc/85/81/78/1069858178.db2.gz YFJXJQLYGBJZTE-FPOVZHCZSA-N 1 0 454.640 3.953 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001307062639 1069859035 /nfs/dbraw/zinc/85/90/35/1069859035.db2.gz LICNJNLKDXZKGO-QFIPXVFZSA-N 1 0 451.619 3.897 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[C@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314218704 1069859845 /nfs/dbraw/zinc/85/98/45/1069859845.db2.gz UEJWVBGAPXWQFU-GLDPYIMESA-N 1 0 459.660 3.785 20 0 JHADRO CCCN1CCCN(c2nnc(C3CCC3)n2Cc2ccc(C[NH+](CC)CC)cc2)CC1=O ZINC001307064717 1069867381 /nfs/dbraw/zinc/86/73/81/1069867381.db2.gz BVGWCLUENNXRGM-UHFFFAOYSA-N 1 0 452.647 3.884 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C[N@H+](C)CC)c2)CC1=O ZINC001307064418 1069866520 /nfs/dbraw/zinc/86/65/20/1069866520.db2.gz OLMKCILCSSSCNA-UHFFFAOYSA-N 1 0 496.059 3.942 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC(CC)CC2)n1CC[NH+]1CCSCC1 ZINC001314220660 1069868007 /nfs/dbraw/zinc/86/80/07/1069868007.db2.gz MNPSUMGQSIQFJA-UHFFFAOYSA-N 1 0 459.660 3.931 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H](c2ccsc2)[NH+](C)C)CC1=O ZINC001307065282 1069870251 /nfs/dbraw/zinc/87/02/51/1069870251.db2.gz MGYIMZQSOFELBY-JOCHJYFZSA-N 1 0 484.645 3.821 20 0 JHADRO CCCN1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1=O ZINC001307066414 1069875307 /nfs/dbraw/zinc/87/53/07/1069875307.db2.gz NWQQDCHAUUERKJ-JOCHJYFZSA-N 1 0 484.048 3.689 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314222155 1069875506 /nfs/dbraw/zinc/87/55/06/1069875506.db2.gz HOBPRWJOHOEKGY-ACRUOGEOSA-N 1 0 457.619 3.601 20 0 JHADRO CCCN1CCCN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1=O ZINC001307067825 1069879278 /nfs/dbraw/zinc/87/92/78/1069879278.db2.gz KAVFDJJFGJSCTF-JOCHJYFZSA-N 1 0 467.662 3.752 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CC[NH+]1CCCCCC1 ZINC001314222644 1069877779 /nfs/dbraw/zinc/87/77/79/1069877779.db2.gz MZXYOZHASXNCFJ-URXFXBBRSA-N 1 0 471.646 3.993 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1=O ZINC001307069323 1069881724 /nfs/dbraw/zinc/88/17/24/1069881724.db2.gz JUOZNIMHIUGEFD-QFIPXVFZSA-N 1 0 499.660 3.525 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCSCC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001314224961 1069888528 /nfs/dbraw/zinc/88/85/28/1069888528.db2.gz BNGCJLTVEIBGOA-FQEVSTJZSA-N 1 0 459.660 3.929 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCSC[C@H]2C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001314225289 1069889999 /nfs/dbraw/zinc/88/99/99/1069889999.db2.gz GGPQAZODCHLCFA-WOJBJXKFSA-N 1 0 459.660 3.929 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCCN(CC)C(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314226314 1069895365 /nfs/dbraw/zinc/89/53/65/1069895365.db2.gz DHWLWDMEXWHRHF-UHFFFAOYSA-N 1 0 498.672 3.579 20 0 JHADRO CCCN(CC[NH+]1CCCCCC1)c1ncnc2c1ncn2C1CN(C(=O)OC(C)(C)C)C1 ZINC001307134044 1069898050 /nfs/dbraw/zinc/89/80/50/1069898050.db2.gz OHJQXMVCXIVKLG-UHFFFAOYSA-N 1 0 457.623 3.711 20 0 JHADRO COc1ccc(C)cc1CN1CCN(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001312383085 1069898443 /nfs/dbraw/zinc/89/84/43/1069898443.db2.gz MIWJEZUNRHBNAM-LADGPHEKSA-N 1 0 450.627 3.741 20 0 JHADRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ncnc2c1ncn2C1CN(C(=O)OC(C)(C)C)C1 ZINC001307134474 1069898342 /nfs/dbraw/zinc/89/83/42/1069898342.db2.gz PDBWAESCYJAESJ-QGZVFWFLSA-N 1 0 451.575 3.551 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCCO[C@@H](C)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314227190 1069899131 /nfs/dbraw/zinc/89/91/31/1069899131.db2.gz KHPGILCJKSQOOG-VQTJNVASSA-N 1 0 469.586 3.767 20 0 JHADRO CCOc1ccnc(N2CCN(c3nnc([C@H](C)CC)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)n1 ZINC001314227514 1069902611 /nfs/dbraw/zinc/90/26/11/1069902611.db2.gz RYKDRVCNXQHNGR-GGAORHGYSA-N 1 0 492.672 3.918 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCCO[C@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001314228264 1069906359 /nfs/dbraw/zinc/90/63/59/1069906359.db2.gz WVSOPCKSWCIZPW-YADHBBJMSA-N 1 0 471.646 3.991 20 0 JHADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001312395292 1069907687 /nfs/dbraw/zinc/90/76/87/1069907687.db2.gz YEMVKOYMYVQXSO-XLIONFOSSA-N 1 0 454.537 3.616 20 0 JHADRO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001312401274 1069911251 /nfs/dbraw/zinc/91/12/51/1069911251.db2.gz QAPVVRFSOUSWQG-YZGWKJHDSA-N 1 0 456.537 3.765 20 0 JHADRO CCOc1ncccc1Cn1c(C(C)C)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001314230236 1069914852 /nfs/dbraw/zinc/91/48/52/1069914852.db2.gz FTAWSFUINZOVKW-UHFFFAOYSA-N 1 0 463.630 3.502 20 0 JHADRO C[NH+](C)CCN1CCN(C(=O)N[C@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)CC1=O ZINC001312409120 1069914920 /nfs/dbraw/zinc/91/49/20/1069914920.db2.gz OJJMVRKIJAOGRI-ICSRJNTNSA-N 1 0 454.537 3.537 20 0 JHADRO C[C@H](N1CCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1)C(F)(F)F ZINC001312410649 1069916275 /nfs/dbraw/zinc/91/62/75/1069916275.db2.gz CEJVLCGGFRVUMZ-DHSIGJKJSA-N 1 0 450.908 3.750 20 0 JHADRO CCOc1ncccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001314234525 1069928327 /nfs/dbraw/zinc/92/83/27/1069928327.db2.gz PIDFWAGFGHZYQA-HSZRJFAPSA-N 1 0 478.641 3.564 20 0 JHADRO C[C@H](NC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1OC(F)F ZINC001312430560 1069932653 /nfs/dbraw/zinc/93/26/53/1069932653.db2.gz BMTMBTPZSNWZAZ-INIZCTEOSA-N 1 0 451.489 3.814 20 0 JHADRO CCOC1CC(CCn2c(CC(C)(C)C)nnc2N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC001314239339 1069940272 /nfs/dbraw/zinc/94/02/72/1069940272.db2.gz VLGMZALKEOPZGK-OOMBGRCJSA-N 1 0 460.711 3.677 20 0 JHADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001312444549 1069941968 /nfs/dbraw/zinc/94/19/68/1069941968.db2.gz USWMVUSHSCIBTQ-PGRDOPGGSA-N 1 0 458.965 3.748 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1(C)C ZINC001314242580 1069947316 /nfs/dbraw/zinc/94/73/16/1069947316.db2.gz HRGQLMQILMEBGP-FGCOXFRFSA-N 1 0 484.689 3.620 20 0 JHADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2cn3cc(Br)cc(C)c3n2)c1 ZINC001312468232 1069955956 /nfs/dbraw/zinc/95/59/56/1069955956.db2.gz CJCZFCQWTCXEPO-UHFFFAOYSA-N 1 0 458.404 3.987 20 0 JHADRO CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC2(CCC2)Oc2ccc(Br)cc21 ZINC001312467214 1069955164 /nfs/dbraw/zinc/95/51/64/1069955164.db2.gz ZQBQQGYEVPXRGZ-SFHVURJKSA-N 1 0 454.409 3.853 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)C1(C)C ZINC001314246378 1069962670 /nfs/dbraw/zinc/96/26/70/1069962670.db2.gz DTTBSWGLRYBDDR-XSDIEEQYSA-N 1 0 492.709 3.983 20 0 JHADRO C[C@H](NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001312482033 1069962964 /nfs/dbraw/zinc/96/29/64/1069962964.db2.gz VZGKLDHLMJXIOW-WDSOQIARSA-N 1 0 452.437 3.552 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(C)o3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC001314246631 1069963700 /nfs/dbraw/zinc/96/37/00/1069963700.db2.gz VMIMYVKKIUZGOF-NHCUHLMSSA-N 1 0 458.651 3.512 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCCC(C)(C)C2)C1(C)C ZINC001314248014 1069968498 /nfs/dbraw/zinc/96/84/98/1069968498.db2.gz FYJRSSLFYUKDPG-KJJMTIBFSA-N 1 0 477.694 3.764 20 0 JHADRO CCCN(C[C@H]1COc2ccccc2O1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001312501463 1069976393 /nfs/dbraw/zinc/97/63/93/1069976393.db2.gz VSEXUHQIQLKAHC-PKTZIBPZSA-N 1 0 453.583 3.539 20 0 JHADRO Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)NCCC[N@@H+]3CCCO[C@H](C)C3)n2c1 ZINC001312497260 1069973858 /nfs/dbraw/zinc/97/38/58/1069973858.db2.gz CGEGDCIJBDSTRZ-LJQANCHMSA-N 1 0 453.562 3.749 20 0 JHADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCC(OCc2ccccc2F)CC1 ZINC001312501750 1069977331 /nfs/dbraw/zinc/97/73/31/1069977331.db2.gz YOZLCXQKYCXDHU-XMMPIXPASA-N 1 0 455.574 3.807 20 0 JHADRO CCCN(C[C@@H]1COc2ccccc2O1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001312501464 1069977408 /nfs/dbraw/zinc/97/74/08/1069977408.db2.gz VSEXUHQIQLKAHC-XZOQPEGZSA-N 1 0 453.583 3.539 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCSCC2)C1(C)C ZINC001314250728 1069977588 /nfs/dbraw/zinc/97/75/88/1069977588.db2.gz NWQRAGYSQGSVTH-QZTJIDSGSA-N 1 0 497.507 3.724 20 0 JHADRO CCO[C@H]1C[C@H](N(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCSCC2)C1(C)C ZINC001314250729 1069977625 /nfs/dbraw/zinc/97/76/25/1069977625.db2.gz NWQRAGYSQGSVTH-ROUUACIJSA-N 1 0 497.507 3.724 20 0 JHADRO O=C(NCc1cccc(C(F)F)c1)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001312503989 1069978154 /nfs/dbraw/zinc/97/81/54/1069978154.db2.gz SRZBRLIVCDEZRG-UHFFFAOYSA-N 1 0 458.553 3.795 20 0 JHADRO CCC[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@@H]1CCc2ccccc2C1 ZINC001307429650 1069981451 /nfs/dbraw/zinc/98/14/51/1069981451.db2.gz OGSZTHUXFXJIBH-HSZRJFAPSA-N 1 0 457.640 3.925 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1(C)C ZINC001314252906 1069984164 /nfs/dbraw/zinc/98/41/64/1069984164.db2.gz KBSNZMLVSDHJDJ-DHIUTWEWSA-N 1 0 484.689 3.793 20 0 JHADRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001307441515 1069985715 /nfs/dbraw/zinc/98/57/15/1069985715.db2.gz FJFLPYNZJUGBRT-QZTJIDSGSA-N 1 0 456.612 3.956 20 0 JHADRO NC(=O)c1c(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)sc2c1CCCC2 ZINC001307441532 1069985955 /nfs/dbraw/zinc/98/59/55/1069985955.db2.gz FVPAMCVSJXZSDF-SFHVURJKSA-N 1 0 459.587 3.875 20 0 JHADRO CC1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC001312519501 1069986279 /nfs/dbraw/zinc/98/62/79/1069986279.db2.gz OMLRPDUXNOPNIE-SFHVURJKSA-N 1 0 452.521 3.861 20 0 JHADRO CN(C[C@H]1CCC[N@H+](CCN2c3cccc4cccc(c34)S2(=O)=O)C1)C(=O)OC(C)(C)C ZINC001307452128 1069992443 /nfs/dbraw/zinc/99/24/43/1069992443.db2.gz WFNBZWNZRPROAB-GOSISDBHSA-N 1 0 459.612 3.927 20 0 JHADRO CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001312524267 1069989837 /nfs/dbraw/zinc/98/98/37/1069989837.db2.gz DSOJZSCKWQEIJC-SMQFJCFBSA-N 1 0 456.631 3.843 20 0 JHADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC001307452459 1069993391 /nfs/dbraw/zinc/99/33/91/1069993391.db2.gz ZURCKCKFOLRYFG-GJZGRUSLSA-N 1 0 454.438 3.551 20 0 JHADRO Cc1nc2sccn2c(=O)c1CC[N@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC001307457627 1069996150 /nfs/dbraw/zinc/99/61/50/1069996150.db2.gz AMAZESSLDWGDNR-HXUWFJFHSA-N 1 0 451.592 3.910 20 0 JHADRO CN(C[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1)C(=O)OC(C)(C)C ZINC001307463577 1069999718 /nfs/dbraw/zinc/99/97/18/1069999718.db2.gz VNYKJIIXLNYCRT-VQIMIIECSA-N 1 0 453.530 3.972 20 0 JHADRO CCO[C@@H]1C[C@H](NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]1Oc1ccccc1 ZINC001312540344 1070002553 /nfs/dbraw/zinc/00/25/53/1070002553.db2.gz UXBJMAYFHGGEKS-CDTIHJJTSA-N 1 0 455.521 3.716 20 0 JHADRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC001312538535 1070000540 /nfs/dbraw/zinc/00/05/40/1070000540.db2.gz XINOJOIGZLJWBN-NRFANRHFSA-N 1 0 457.640 3.711 20 0 JHADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001307479362 1070007883 /nfs/dbraw/zinc/00/78/83/1070007883.db2.gz OVPIYZAJMIZRBV-ROUUACIJSA-N 1 0 457.537 3.865 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001312550280 1070006773 /nfs/dbraw/zinc/00/67/73/1070006773.db2.gz FEIQFKOWSRPNHW-MSOLQXFVSA-N 1 0 456.896 3.877 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCc1ccc(OCC(F)(F)F)nc1 ZINC001312551505 1070008219 /nfs/dbraw/zinc/00/82/19/1070008219.db2.gz ULUGPUPRBIMFJX-ZWKOTPCHSA-N 1 0 450.505 3.870 20 0 JHADRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001307481541 1070008804 /nfs/dbraw/zinc/00/88/04/1070008804.db2.gz ZGIVFKNLWPGYFW-AZUAARDMSA-N 1 0 459.587 3.817 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001312555470 1070010783 /nfs/dbraw/zinc/01/07/83/1070010783.db2.gz HWXQJVYWVSNYCQ-AVRDEDQJSA-N 1 0 458.603 3.775 20 0 JHADRO Cn1cc(CCNC(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)c2ccc(F)cc21 ZINC001312555486 1070010809 /nfs/dbraw/zinc/01/08/09/1070010809.db2.gz IDFMBPXAZPZKDD-UHFFFAOYSA-N 1 0 452.574 3.576 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001312555472 1070011155 /nfs/dbraw/zinc/01/11/55/1070011155.db2.gz HWXQJVYWVSNYCQ-PGRDOPGGSA-N 1 0 458.603 3.775 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001312555473 1070011346 /nfs/dbraw/zinc/01/13/46/1070011346.db2.gz HWXQJVYWVSNYCQ-XMSQKQJNSA-N 1 0 458.603 3.775 20 0 JHADRO CCOc1ccc(CN2CCN(C(=O)NC[C@@H](C3CC3)[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC001312557645 1070012636 /nfs/dbraw/zinc/01/26/36/1070012636.db2.gz CDSFPUUHLRTEFD-SANMLTNESA-N 1 0 450.627 3.823 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)C1CC1 ZINC001312558458 1070013325 /nfs/dbraw/zinc/01/33/25/1070013325.db2.gz HGPNDNSIWIWKGD-DHIUTWEWSA-N 1 0 453.562 3.642 20 0 JHADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001307488664 1070013727 /nfs/dbraw/zinc/01/37/27/1070013727.db2.gz HAKJHCRYCBRSDF-OAHLLOKOSA-N 1 0 457.446 3.736 20 0 JHADRO CC[N@H+](CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001307495939 1070017042 /nfs/dbraw/zinc/01/70/42/1070017042.db2.gz QRBDQYXZLBFYLJ-QFIPXVFZSA-N 1 0 458.530 3.927 20 0 JHADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1 ZINC001307498204 1070018151 /nfs/dbraw/zinc/01/81/51/1070018151.db2.gz HBCMXWGTKGHCGM-IBGZPJMESA-N 1 0 455.565 3.766 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314269756 1070022981 /nfs/dbraw/zinc/02/29/81/1070022981.db2.gz XANXTDGIZSVVLV-BDTNDASRSA-N 1 0 489.636 3.919 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+]2CCC(C)CC2)C1 ZINC001314269970 1070023724 /nfs/dbraw/zinc/02/37/24/1070023724.db2.gz AWNVJAIEWSVZBB-OAQYLSRUSA-N 1 0 457.619 3.700 20 0 JHADRO C[N@@H+]1CCN(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)C2(CCCCC2)C1 ZINC001307505300 1070023882 /nfs/dbraw/zinc/02/38/82/1070023882.db2.gz ZAXTWXWZZAVBJV-UHFFFAOYSA-N 1 0 459.587 3.547 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001314270938 1070025265 /nfs/dbraw/zinc/02/52/65/1070025265.db2.gz BLPVKTKMSHGLBY-IFMALSPDSA-N 1 0 490.693 3.882 20 0 JHADRO CCO[C@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](CC)C2CC2)C1 ZINC001314270999 1070025356 /nfs/dbraw/zinc/02/53/56/1070025356.db2.gz CGAXHHBRKRVRBC-UNMCSNQZSA-N 1 0 490.693 3.882 20 0 JHADRO C[N@@H+]1CCN(CCNC(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)CC1(C)C ZINC001312582075 1070027048 /nfs/dbraw/zinc/02/70/48/1070027048.db2.gz WFIIZFMEDIPAPJ-QFIPXVFZSA-N 1 0 456.553 3.718 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001314271065 1070025527 /nfs/dbraw/zinc/02/55/27/1070025527.db2.gz DBHOPOSTWHHZFY-RXVVDRJESA-N 1 0 458.010 3.640 20 0 JHADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CCC1 ZINC001307512819 1070027707 /nfs/dbraw/zinc/02/77/07/1070027707.db2.gz HBDRRUJGNFQAIM-ZWKOTPCHSA-N 1 0 459.450 3.588 20 0 JHADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1OC ZINC001307530148 1070038061 /nfs/dbraw/zinc/03/80/61/1070038061.db2.gz AJFWLECCLOJEET-QGZVFWFLSA-N 1 0 457.546 3.541 20 0 JHADRO C[C@]1(CNC(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001312616383 1070046533 /nfs/dbraw/zinc/04/65/33/1070046533.db2.gz UQGCPKCCSSCFOZ-RCZVLFRGSA-N 1 0 453.562 3.643 20 0 JHADRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC001307557379 1070051186 /nfs/dbraw/zinc/05/11/86/1070051186.db2.gz OMQUALCYFCPFAT-UHFFFAOYSA-N 1 0 458.580 3.736 20 0 JHADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC001312630747 1070053359 /nfs/dbraw/zinc/05/33/59/1070053359.db2.gz XOSNGWHXPWLVET-GPMSIDNRSA-N 1 0 455.384 3.881 20 0 JHADRO O=C(N1CCc2ccc([C@@H](O)C[NH2+][C@H](c3ccccc3)c3ccccn3)cc2C1)C(F)(F)F ZINC001307564429 1070054219 /nfs/dbraw/zinc/05/42/19/1070054219.db2.gz YTNHFVOZHYNPCI-XZOQPEGZSA-N 1 0 455.480 3.941 20 0 JHADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NCc2ccc(-c3ccco3)cc2F)CC1 ZINC001312636783 1070056428 /nfs/dbraw/zinc/05/64/28/1070056428.db2.gz KDBFKQZQALYVOR-UHFFFAOYSA-N 1 0 456.562 3.609 20 0 JHADRO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC001307569347 1070056662 /nfs/dbraw/zinc/05/66/62/1070056662.db2.gz RKCKPHIVLAEZBE-KRWDZBQOSA-N 1 0 454.011 3.741 20 0 JHADRO CCCCn1c(N)c(N(CC)C(=O)C[NH2+][C@@H](c2ccccc2)C2CCCCC2)c(=O)[nH]c1=O ZINC001307587055 1070066453 /nfs/dbraw/zinc/06/64/53/1070066453.db2.gz YUIOCNCTXOUPKQ-NRFANRHFSA-N 1 0 455.603 3.595 20 0 JHADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1)[NH+](C)C ZINC001312657972 1070067226 /nfs/dbraw/zinc/06/72/26/1070067226.db2.gz CAFQFUPDRFVJTQ-NMMYMHLASA-N 1 0 451.615 3.913 20 0 JHADRO COC1(CNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CCC(c2ccccc2)CC1 ZINC001312659441 1070067551 /nfs/dbraw/zinc/06/75/51/1070067551.db2.gz UWABJHYQPWDWSI-UHFFFAOYSA-N 1 0 456.675 3.789 20 0 JHADRO C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC001312660443 1070067992 /nfs/dbraw/zinc/06/79/92/1070067992.db2.gz ODJIDOCXWVYFBY-DZOHQFGASA-N 1 0 458.525 3.775 20 0 JHADRO Cc1nccn1CCC[N@@H+](C)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC001307594766 1070071982 /nfs/dbraw/zinc/07/19/82/1070071982.db2.gz JKSFSQKGIXODSM-UHFFFAOYSA-N 1 0 458.198 3.986 20 0 JHADRO CCOCc1nnc(N(C)[C@@H](C)c2ccccc2C)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001314296646 1070080133 /nfs/dbraw/zinc/08/01/33/1070080133.db2.gz CWRIWUXUMUCXDR-QFIPXVFZSA-N 1 0 477.657 3.906 20 0 JHADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001307621083 1070084624 /nfs/dbraw/zinc/08/46/24/1070084624.db2.gz ORBPLATWPNFLRQ-QGZVFWFLSA-N 1 0 456.539 3.989 20 0 JHADRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)c2ccccc2)c(C)c1 ZINC001307626637 1070087712 /nfs/dbraw/zinc/08/77/12/1070087712.db2.gz LQZPDHOWWYJJQX-FGZHOGPDSA-N 1 0 452.576 3.753 20 0 JHADRO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)[NH+](C)C)cc1 ZINC001312711086 1070089721 /nfs/dbraw/zinc/08/97/21/1070089721.db2.gz VLQPYOKCVFFKQR-WZYRSQIMSA-N 1 0 457.619 3.770 20 0 JHADRO COc1cc([C@@H](C)[NH2+]CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)ccc1OC(C)C ZINC001307632672 1070092174 /nfs/dbraw/zinc/09/21/74/1070092174.db2.gz SMIYKCQXDBNHHY-HXUWFJFHSA-N 1 0 459.631 3.774 20 0 JHADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(C)c(I)cc2C)cc1 ZINC001307639908 1070095378 /nfs/dbraw/zinc/09/53/78/1070095378.db2.gz FHXLPHVLBCUYFG-AWEZNQCLSA-N 1 0 458.365 3.667 20 0 JHADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(C)c(I)cc2C)cc1 ZINC001307639909 1070095519 /nfs/dbraw/zinc/09/55/19/1070095519.db2.gz FHXLPHVLBCUYFG-CQSZACIVSA-N 1 0 458.365 3.667 20 0 JHADRO C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1=O ZINC001312755887 1070106019 /nfs/dbraw/zinc/10/60/19/1070106019.db2.gz COPNDFPQBDQXMN-YGOYIFOWSA-N 1 0 452.574 3.794 20 0 JHADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC001307659618 1070108132 /nfs/dbraw/zinc/10/81/32/1070108132.db2.gz UCRZDOAKRRQXHU-HNNXBMFYSA-N 1 0 458.609 3.672 20 0 JHADRO C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Cl)c(Cl)c1 ZINC001312775649 1070116065 /nfs/dbraw/zinc/11/60/65/1070116065.db2.gz ZZDPMQJURQWSMM-RDTXWAMCSA-N 1 0 453.345 3.840 20 0 JHADRO CS(=O)(=O)c1ccc(OCC[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 ZINC001307672345 1070116466 /nfs/dbraw/zinc/11/64/66/1070116466.db2.gz MQJMWXSIAOJACJ-HSZRJFAPSA-N 1 0 453.539 3.989 20 0 JHADRO Cc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)C2)cc1 ZINC001307675091 1070117853 /nfs/dbraw/zinc/11/78/53/1070117853.db2.gz KSYAPALBIFBMHZ-QFIPXVFZSA-N 1 0 455.624 3.906 20 0 JHADRO Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(CN3CC[C@@H](C[NH+](C)C)C3)nc(=O)c12 ZINC001307675440 1070118783 /nfs/dbraw/zinc/11/87/83/1070118783.db2.gz RQPAHSRJTJTPFA-KRWDZBQOSA-N 1 0 453.612 3.546 20 0 JHADRO CCOCc1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001314331754 1070124617 /nfs/dbraw/zinc/12/46/17/1070124617.db2.gz IGVNYKOUURNHPS-UHFFFAOYSA-N 1 0 459.639 3.576 20 0 JHADRO CCOCc1nnc(N2C[C@H](C)S[C@@H](C)C2)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001314329605 1070120755 /nfs/dbraw/zinc/12/07/55/1070120755.db2.gz XOSHONIFUCNZNB-PMACEKPBSA-N 1 0 459.660 3.668 20 0 JHADRO CCOCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001314330137 1070121614 /nfs/dbraw/zinc/12/16/14/1070121614.db2.gz ZEMNBSXUWZAQDK-AEFFLSMTSA-N 1 0 464.010 3.597 20 0 JHADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001312791657 1070122500 /nfs/dbraw/zinc/12/25/00/1070122500.db2.gz ZIXPDKKVUBEYOG-LJQANCHMSA-N 1 0 456.052 3.801 20 0 JHADRO COC[C@@]1(CNC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)OCCc2ccccc21 ZINC001312798963 1070128148 /nfs/dbraw/zinc/12/81/48/1070128148.db2.gz RNZBEHFXYRLCJH-MUUNZHRXSA-N 1 0 459.590 3.779 20 0 JHADRO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)cc1OC ZINC001307691960 1070129310 /nfs/dbraw/zinc/12/93/10/1070129310.db2.gz DGYHZAYDABDONK-PZJWPPBQSA-N 1 0 450.583 3.813 20 0 JHADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC001307686843 1070125689 /nfs/dbraw/zinc/12/56/89/1070125689.db2.gz VVTUQOPEHZZZNF-UHFFFAOYSA-N 1 0 452.868 3.884 20 0 JHADRO CCOCc1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314338234 1070135036 /nfs/dbraw/zinc/13/50/36/1070135036.db2.gz IMPGUOZWYMWGGL-QHCPKHFHSA-N 1 0 455.647 3.811 20 0 JHADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001307693842 1070131076 /nfs/dbraw/zinc/13/10/76/1070131076.db2.gz YBECCLFNFMHWOP-SOVGHPHASA-N 1 0 455.502 3.606 20 0 JHADRO CCOCc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314336807 1070131647 /nfs/dbraw/zinc/13/16/47/1070131647.db2.gz ZCPMVLFUBQUTFH-JTSKRJEESA-N 1 0 475.600 3.855 20 0 JHADRO CCOCc1nnc(N2CCC(c3ccccc3CO)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001314337801 1070134030 /nfs/dbraw/zinc/13/40/30/1070134030.db2.gz GWFOMVDMYQEXQZ-QHCPKHFHSA-N 1 0 455.647 3.955 20 0 JHADRO CCOCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001314341059 1070139457 /nfs/dbraw/zinc/13/94/57/1070139457.db2.gz FKHXOEWVFCJGFJ-CJFMBICVSA-N 1 0 459.635 3.796 20 0 JHADRO COc1ccc(NC(=O)C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)cc1S(=O)(=O)N(C)C ZINC001307717562 1070143433 /nfs/dbraw/zinc/14/34/33/1070143433.db2.gz UUKNYGFIZYAAPO-HXUWFJFHSA-N 1 0 459.612 3.577 20 0 JHADRO CCOc1cccc(N2CCN(C(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001312824254 1070143732 /nfs/dbraw/zinc/14/37/32/1070143732.db2.gz RXOITFICYWKLBW-HSZRJFAPSA-N 1 0 451.615 3.614 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001314342475 1070144183 /nfs/dbraw/zinc/14/41/83/1070144183.db2.gz FSRCFKCYKATDCX-RTWAWAEBSA-N 1 0 478.682 3.630 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001314342760 1070145118 /nfs/dbraw/zinc/14/51/18/1070145118.db2.gz LJXYJPGIUMOIFC-KRWDZBQOSA-N 1 0 452.525 3.589 20 0 JHADRO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC001307720158 1070145141 /nfs/dbraw/zinc/14/51/41/1070145141.db2.gz VCNDASSCICZEGI-OXQOHEQNSA-N 1 0 459.384 3.973 20 0 JHADRO C[C@H](CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001312837985 1070148227 /nfs/dbraw/zinc/14/82/27/1070148227.db2.gz CBLBIYJJHACSJQ-QIUOXPPCSA-N 1 0 468.617 3.591 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314344369 1070148868 /nfs/dbraw/zinc/14/88/68/1070148868.db2.gz WKPIIKGJNYVOSL-VQTJNVASSA-N 1 0 478.682 3.771 20 0 JHADRO CCOCc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314346087 1070151369 /nfs/dbraw/zinc/15/13/69/1070151369.db2.gz PXFYKECMJKJBBC-NRFANRHFSA-N 1 0 476.000 3.948 20 0 JHADRO CCOCc1nnc(N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001314346986 1070152830 /nfs/dbraw/zinc/15/28/30/1070152830.db2.gz VCWGTBURRHTALL-IBGZPJMESA-N 1 0 464.655 3.525 20 0 JHADRO CCOCc1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001314346635 1070152964 /nfs/dbraw/zinc/15/29/64/1070152964.db2.gz UHAQXDRPMYOLMA-HSZRJFAPSA-N 1 0 450.027 3.686 20 0 JHADRO C[C@H]1CN(c2cccc(C[N@H+](C)C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)S(=O)(=O)C1 ZINC001307728701 1070153215 /nfs/dbraw/zinc/15/32/15/1070153215.db2.gz RWZFPFGNQMWSCT-ICSRJNTNSA-N 1 0 451.633 3.551 20 0 JHADRO CCOCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1Cc1ccc(C(=O)N(CC)CC)cc1 ZINC001314347684 1070155199 /nfs/dbraw/zinc/15/51/99/1070155199.db2.gz OSZIJDFWGVRYMV-UHFFFAOYSA-N 1 0 482.673 3.800 20 0 JHADRO O=C(CC[NH+]1CCC(COc2ccc(Cl)nc2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC001307732657 1070155966 /nfs/dbraw/zinc/15/59/66/1070155966.db2.gz VBUSZVRPRFMFGZ-UHFFFAOYSA-N 1 0 456.974 3.747 20 0 JHADRO CC(C)[C@@H](CNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1)[NH+]1CCCC1 ZINC001312854346 1070156909 /nfs/dbraw/zinc/15/69/09/1070156909.db2.gz GYDXMIDFDLQLCI-OAQYLSRUSA-N 1 0 451.453 3.833 20 0 JHADRO C[C@@H](NC(=O)CNC(=O)C[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1)c1ccc(F)cc1 ZINC001307744589 1070162924 /nfs/dbraw/zinc/16/29/24/1070162924.db2.gz BZWJALUAUCQHHG-QZTJIDSGSA-N 1 0 450.514 3.657 20 0 JHADRO CCOCc1nnc(N2CCC(O)(c3ccccc3Cl)CC2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001314349697 1070164292 /nfs/dbraw/zinc/16/42/92/1070164292.db2.gz PPBXISSRAZFLAH-IBGZPJMESA-N 1 0 462.038 3.830 20 0 JHADRO CCOCc1nnc(N2CCC(O)(c3ccccc3Cl)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314349706 1070165141 /nfs/dbraw/zinc/16/51/41/1070165141.db2.gz PVQCZSQUMFCMDX-UHFFFAOYSA-N 1 0 494.105 3.783 20 0 JHADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)cc1 ZINC001307759815 1070171172 /nfs/dbraw/zinc/17/11/72/1070171172.db2.gz ASQALSDEVKUQDP-ORAYPTAESA-N 1 0 451.386 3.847 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC001312886807 1070168135 /nfs/dbraw/zinc/16/81/35/1070168135.db2.gz UGAFOOUMGUQJGH-WZYRSQIMSA-N 1 0 457.640 3.883 20 0 JHADRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)[C@@H](O)c1ccccc1 ZINC001307755160 1070168403 /nfs/dbraw/zinc/16/84/03/1070168403.db2.gz YCJUNUBLZSALIO-JVPBZIDWSA-N 1 0 452.336 3.966 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314356247 1070177557 /nfs/dbraw/zinc/17/75/57/1070177557.db2.gz SJOVKFXIKSNDJS-WOJBJXKFSA-N 1 0 471.646 3.582 20 0 JHADRO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(=O)OCC)C[C@@H](C)CC2 ZINC001307771051 1070177022 /nfs/dbraw/zinc/17/70/22/1070177022.db2.gz XVUMHMGZURCJFB-UXLLHSPISA-N 1 0 450.601 3.700 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001314356743 1070178393 /nfs/dbraw/zinc/17/83/93/1070178393.db2.gz VHKODMVQLUXAOM-QFIPXVFZSA-N 1 0 471.646 3.557 20 0 JHADRO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C[NH2+][C@@H]1CCOC1(C)C ZINC001307776085 1070178651 /nfs/dbraw/zinc/17/86/51/1070178651.db2.gz ICEROAKOBCXGJT-MRXNPFEDSA-N 1 0 459.568 3.581 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001314357236 1070178869 /nfs/dbraw/zinc/17/88/69/1070178869.db2.gz XWJGAIMAQAMVBO-HXUWFJFHSA-N 1 0 471.646 3.559 20 0 JHADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)N[C@@H](Cc1ccccc1)c1ncco1 ZINC001312917797 1070180422 /nfs/dbraw/zinc/18/04/22/1070180422.db2.gz IQGRALVMHGWTIL-DEOSSOPVSA-N 1 0 453.631 3.796 20 0 JHADRO C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312925861 1070183531 /nfs/dbraw/zinc/18/35/31/1070183531.db2.gz KERLXWKCTTXOEL-YRFMLNNJSA-N 1 0 473.658 3.561 20 0 JHADRO C[C@@H](NC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312925309 1070183562 /nfs/dbraw/zinc/18/35/62/1070183562.db2.gz ICCWDLWZIHWQSS-FUMNGEBKSA-N 1 0 451.652 3.664 20 0 JHADRO CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@@](C)(Cc2ccc(Cl)cc2)C(C)C)ccc1C ZINC001307791901 1070183714 /nfs/dbraw/zinc/18/37/14/1070183714.db2.gz UYTGXCDECYTYMM-QFIPXVFZSA-N 1 0 452.020 3.742 20 0 JHADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCC2(CC1)OCCCO2 ZINC001307791834 1070183781 /nfs/dbraw/zinc/18/37/81/1070183781.db2.gz SSZVUXVKNOMKSO-FQEVSTJZSA-N 1 0 451.567 3.687 20 0 JHADRO CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001312932960 1070187082 /nfs/dbraw/zinc/18/70/82/1070187082.db2.gz ORHGNXGLLRFKIW-GOTSBHOMSA-N 1 0 456.612 3.646 20 0 JHADRO CC(C)(C)OC(=O)N1CCC([C@H](O)CN2CCc3c(F)ccc(Br)c3C2)CC1 ZINC001307805050 1070191499 /nfs/dbraw/zinc/19/14/99/1070191499.db2.gz CQKOIZGLBYATFL-LJQANCHMSA-N 1 0 457.384 3.954 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314365347 1070195090 /nfs/dbraw/zinc/19/50/90/1070195090.db2.gz KEFQJFPWUFNRKV-QTEQDKRBSA-N 1 0 459.610 3.900 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CC[C@H](OC)C(F)(F)F ZINC001314365366 1070195160 /nfs/dbraw/zinc/19/51/60/1070195160.db2.gz MFYKLSYQIWUYHF-OTWHNJEPSA-N 1 0 461.573 3.873 20 0 JHADRO COCc1ccc(CNC(=O)C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001307831009 1070204186 /nfs/dbraw/zinc/20/41/86/1070204186.db2.gz RKCBPIYMCLFKPY-RRPNLBNLSA-N 1 0 461.581 3.846 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001314370521 1070207290 /nfs/dbraw/zinc/20/72/90/1070207290.db2.gz XPBKUVJOPXGOFX-UXHICEINSA-N 1 0 464.655 3.525 20 0 JHADRO C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC001307840910 1070207833 /nfs/dbraw/zinc/20/78/33/1070207833.db2.gz ZEGLVDCQYGUZTQ-PXNSSMCTSA-N 1 0 454.596 3.804 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001312987320 1070207905 /nfs/dbraw/zinc/20/79/05/1070207905.db2.gz BPAORRQQKJKCSM-BHDDXSALSA-N 1 0 460.594 3.798 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C[C@H]1c1ccc(Br)cc1 ZINC001307860355 1070213762 /nfs/dbraw/zinc/21/37/62/1070213762.db2.gz KPWDWFQWDSIJFM-SLFFLAALSA-N 1 0 452.776 3.895 20 0 JHADRO CCOCc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001314374186 1070212501 /nfs/dbraw/zinc/21/25/01/1070212501.db2.gz AJVGVTUHYJTKSI-JOCHJYFZSA-N 1 0 489.064 3.695 20 0 JHADRO CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001312992602 1070215023 /nfs/dbraw/zinc/21/50/23/1070215023.db2.gz ZSXRNPXXSOHGLM-UHFFFAOYSA-N 1 0 457.594 3.681 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001307864055 1070216469 /nfs/dbraw/zinc/21/64/69/1070216469.db2.gz MQJPHARLMOPUCJ-RSYZFUPGSA-N 1 0 465.638 3.690 20 0 JHADRO CC(C)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307870325 1070218200 /nfs/dbraw/zinc/21/82/00/1070218200.db2.gz MPFWPEOUUSPANG-LJQANCHMSA-N 1 0 454.640 3.649 20 0 JHADRO CCOCc1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001314377297 1070218877 /nfs/dbraw/zinc/21/88/77/1070218877.db2.gz DTMCLGNPBVTUIF-UHFFFAOYSA-N 1 0 472.540 3.572 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001313007971 1070219013 /nfs/dbraw/zinc/21/90/13/1070219013.db2.gz OWFVHBACFRKZEW-UNMCSNQZSA-N 1 0 458.603 3.964 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H]2Cc2ccccc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314378394 1070220875 /nfs/dbraw/zinc/22/08/75/1070220875.db2.gz NBQQFSJHMSDMTQ-MQSCRBSSSA-N 1 0 455.647 3.914 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001314384251 1070227995 /nfs/dbraw/zinc/22/79/95/1070227995.db2.gz CLYHRQRSQCUHHW-IBGZPJMESA-N 1 0 490.674 3.770 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC001307885052 1070224885 /nfs/dbraw/zinc/22/48/85/1070224885.db2.gz FPKAXGSZZQCJFU-YJMBLLCNSA-N 1 0 459.587 3.939 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001314384531 1070229457 /nfs/dbraw/zinc/22/94/57/1070229457.db2.gz XQTJVOZOPRZELR-UHFFFAOYSA-N 1 0 488.702 3.597 20 0 JHADRO CCOCc1nnc(N2CCN(C(C)=O)C3(CCCCC3)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314385637 1070231119 /nfs/dbraw/zinc/23/11/19/1070231119.db2.gz UGJYTROMSYTOCU-UHFFFAOYSA-N 1 0 474.694 3.841 20 0 JHADRO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001307905415 1070233197 /nfs/dbraw/zinc/23/31/97/1070233197.db2.gz ZIDSIZANESLSJN-DGUDUIIESA-N 1 0 470.614 3.767 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCC(=O)NCC3CCCCC3)C2)C1 ZINC001307903845 1070232628 /nfs/dbraw/zinc/23/26/28/1070232628.db2.gz HQIZJTZLFNTRQM-YPAWHYETSA-N 1 0 451.652 3.857 20 0 JHADRO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](CO)c1cccc(Cl)c1Cl ZINC001307908962 1070235056 /nfs/dbraw/zinc/23/50/56/1070235056.db2.gz QZEMLFSDKCRTJM-OAQYLSRUSA-N 1 0 450.410 3.871 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001314387382 1070235292 /nfs/dbraw/zinc/23/52/92/1070235292.db2.gz ONVCKIAKSZVZHC-OAQYLSRUSA-N 1 0 454.663 3.880 20 0 JHADRO COc1cc(NC(=O)CC[NH+]2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)cc(OC)c1OC ZINC001307910014 1070235420 /nfs/dbraw/zinc/23/54/20/1070235420.db2.gz WFYBLJHNBZZNEN-QAPCUYQASA-N 1 0 458.559 3.502 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)CN1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccccc1 ZINC001307911082 1070235822 /nfs/dbraw/zinc/23/58/22/1070235822.db2.gz VNWFIBRXJNKKIT-JOCHJYFZSA-N 1 0 455.400 3.708 20 0 JHADRO CCOCc1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314388477 1070238674 /nfs/dbraw/zinc/23/86/74/1070238674.db2.gz JRVYTKHGIIAVJH-HBMCJLEFSA-N 1 0 489.734 3.911 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3F)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314390019 1070242650 /nfs/dbraw/zinc/24/26/50/1070242650.db2.gz JFINJKJUHMXZOI-SFTDATJTSA-N 1 0 458.626 3.648 20 0 JHADRO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)NCc1nc(Cc2ccccc2F)no1 ZINC001313089390 1070247029 /nfs/dbraw/zinc/24/70/29/1070247029.db2.gz GYGVZMDAIOSXAM-UHFFFAOYSA-N 1 0 451.546 3.901 20 0 JHADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001307929485 1070246994 /nfs/dbraw/zinc/24/69/94/1070246994.db2.gz WSJGUONPGNBOSA-NQIIRXRSSA-N 1 0 454.792 3.660 20 0 JHADRO Cc1nn(C)c(=O)c(-c2nc(CN3CC[N@H+](Cc4ccccc4)[C@H](C(C)C)C3)cs2)c1C ZINC001307931127 1070247798 /nfs/dbraw/zinc/24/77/98/1070247798.db2.gz OUYSFVHDABBREM-QFIPXVFZSA-N 1 0 451.640 3.863 20 0 JHADRO COC(=O)c1cccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)n1 ZINC001307921985 1070244230 /nfs/dbraw/zinc/24/42/30/1070244230.db2.gz RFHZSFGCEGPSGM-RXVVDRJESA-N 1 0 473.545 3.899 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001314390990 1070245374 /nfs/dbraw/zinc/24/53/74/1070245374.db2.gz QHVWVDOKGWVJKU-QHCPKHFHSA-N 1 0 481.563 3.719 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001314390987 1070245425 /nfs/dbraw/zinc/24/54/25/1070245425.db2.gz QHVWVDOKGWVJKU-HSZRJFAPSA-N 1 0 481.563 3.719 20 0 JHADRO CCOCc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001314392865 1070249727 /nfs/dbraw/zinc/24/97/27/1070249727.db2.gz RNEJOTLLEAVQBB-MRXNPFEDSA-N 1 0 470.449 3.573 20 0 JHADRO CCOCc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314392764 1070249921 /nfs/dbraw/zinc/24/99/21/1070249921.db2.gz VBSNDBYYLOJUQV-SZPZYZBQSA-N 1 0 498.720 3.811 20 0 JHADRO CC(C)(C)OC(=O)[C@@](C)(NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC001307964703 1070261531 /nfs/dbraw/zinc/26/15/31/1070261531.db2.gz KRDHYQZHLBVXOB-MHZLTWQESA-N 1 0 451.611 3.745 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCc1ccc(OC)c(Br)c1 ZINC001314400822 1070261943 /nfs/dbraw/zinc/26/19/43/1070261943.db2.gz KQESGKGDOUBEND-GOSISDBHSA-N 1 0 478.435 3.503 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001314401311 1070262652 /nfs/dbraw/zinc/26/26/52/1070262652.db2.gz SRPXDKSSIQNIFT-OALUTQOASA-N 1 0 466.399 3.962 20 0 JHADRO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1C ZINC001307971927 1070264000 /nfs/dbraw/zinc/26/40/00/1070264000.db2.gz YSSFLOUZABREIE-LJQANCHMSA-N 1 0 459.612 3.858 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001313135264 1070264220 /nfs/dbraw/zinc/26/42/20/1070264220.db2.gz BSIZMHDPTMBJDB-DENIHFKCSA-N 1 0 455.002 3.576 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](COc3ccccc3)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314408502 1070272854 /nfs/dbraw/zinc/27/28/54/1070272854.db2.gz NZFZFINJZBLIRO-AKFKNWHVSA-N 1 0 485.673 3.855 20 0 JHADRO COC(=O)c1c(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)sc2c1CC[C@H](C)C2 ZINC001308003639 1070275687 /nfs/dbraw/zinc/27/56/87/1070275687.db2.gz SBRDLMAHYLCNFM-VVUGWJFESA-N 1 0 464.534 3.996 20 0 JHADRO CCOCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001314411806 1070278163 /nfs/dbraw/zinc/27/81/63/1070278163.db2.gz NINCBIMUSBIFHP-NNMXDRDESA-N 1 0 459.660 3.991 20 0 JHADRO CC(C)OCc1ccccc1CNC(=O)CN1CCC(NC(=O)OCc2ccccc2)CC1 ZINC001308013276 1070280111 /nfs/dbraw/zinc/28/01/11/1070280111.db2.gz JEAWJRGMTJERDP-UHFFFAOYSA-N 1 0 453.583 3.619 20 0 JHADRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCN[C@H](c3ccc(OC)cc3)C2)cc1 ZINC001308013769 1070280136 /nfs/dbraw/zinc/28/01/36/1070280136.db2.gz PBNISZLUGNZGHL-QPPBQGQZSA-N 1 0 455.599 3.959 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001313177904 1070282700 /nfs/dbraw/zinc/28/27/00/1070282700.db2.gz BHHVCRCQTBRVEK-IFJBLMCRSA-N 1 0 455.624 3.684 20 0 JHADRO COc1ccccc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC001308026986 1070284652 /nfs/dbraw/zinc/28/46/52/1070284652.db2.gz MVEVEOFZJYQKRV-MSOLQXFVSA-N 1 0 453.539 3.773 20 0 JHADRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N[C@@H](CO)c3ccc(Br)c(F)c3)C2)cc1 ZINC001313184037 1070285088 /nfs/dbraw/zinc/28/50/88/1070285088.db2.gz CULBVEZZJMGJKZ-XLIONFOSSA-N 1 0 450.352 3.504 20 0 JHADRO COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001308029600 1070285273 /nfs/dbraw/zinc/28/52/73/1070285273.db2.gz SJFWKLIMSBQCGC-VWPQPMDRSA-N 1 0 459.587 3.833 20 0 JHADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1S(=O)(=O)N1CCCCC1 ZINC001308028000 1070285497 /nfs/dbraw/zinc/28/54/97/1070285497.db2.gz NMFFDQVMPPYVLX-QZTJIDSGSA-N 1 0 459.534 3.595 20 0 JHADRO CC(=O)Nc1ccc(S(=O)(=O)CCCN(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001308028727 1070285534 /nfs/dbraw/zinc/28/55/34/1070285534.db2.gz SGGOVDFKGQJAHR-XMMPIXPASA-N 1 0 457.640 3.795 20 0 JHADRO O=C(C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001308028019 1070285692 /nfs/dbraw/zinc/28/56/92/1070285692.db2.gz OCQCUTKGVWVSPF-UKRRQHHQSA-N 1 0 470.845 3.889 20 0 JHADRO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001313204465 1070292392 /nfs/dbraw/zinc/29/23/92/1070292392.db2.gz ZIZLBJUSEQYWPD-LJQANCHMSA-N 1 0 451.409 3.610 20 0 JHADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@H]2COc3cccc(Br)c3C2)CC1 ZINC001313198409 1070290162 /nfs/dbraw/zinc/29/01/62/1070290162.db2.gz UMAIUHWWVPTMQE-LJQANCHMSA-N 1 0 458.400 3.979 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001314420764 1070291365 /nfs/dbraw/zinc/29/13/65/1070291365.db2.gz WNWDQAHGCXWOAI-PZJWPPBQSA-N 1 0 462.683 3.570 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001314420765 1070291537 /nfs/dbraw/zinc/29/15/37/1070291537.db2.gz WNWDQAHGCXWOAI-TZIWHRDSSA-N 1 0 462.683 3.570 20 0 JHADRO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001313204464 1070292368 /nfs/dbraw/zinc/29/23/68/1070292368.db2.gz ZIZLBJUSEQYWPD-IBGZPJMESA-N 1 0 451.409 3.610 20 0 JHADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC001308061869 1070297496 /nfs/dbraw/zinc/29/74/96/1070297496.db2.gz JVXCNEYJOHWBBF-YMPZKCBVSA-N 1 0 459.034 3.833 20 0 JHADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC001308062278 1070298013 /nfs/dbraw/zinc/29/80/13/1070298013.db2.gz SRIFAWYSAPGEKB-HNNXBMFYSA-N 1 0 450.352 3.953 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001314421762 1070294918 /nfs/dbraw/zinc/29/49/18/1070294918.db2.gz PTKWOECNNLSXHU-CVDCTZTESA-N 1 0 452.603 3.838 20 0 JHADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001313216086 1070295566 /nfs/dbraw/zinc/29/55/66/1070295566.db2.gz KURSZGGPNNYJNW-QHCPKHFHSA-N 1 0 458.002 3.920 20 0 JHADRO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC001308062902 1070298153 /nfs/dbraw/zinc/29/81/53/1070298153.db2.gz XXTYPIPKRYUZCG-OIBXWCBGSA-N 1 0 458.002 3.946 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001314423825 1070299900 /nfs/dbraw/zinc/29/99/00/1070299900.db2.gz ZYCLPERCFDDNNU-FYYLOGMGSA-N 1 0 455.647 3.729 20 0 JHADRO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 ZINC001308067150 1070300481 /nfs/dbraw/zinc/30/04/81/1070300481.db2.gz YZQAEMQDMZIIRV-FOXWCKEESA-N 1 0 458.599 3.579 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](C)[NH+](CC)CC)C1 ZINC001314424556 1070301852 /nfs/dbraw/zinc/30/18/52/1070301852.db2.gz DZBMISHLJPQWOA-QTEQDKRBSA-N 1 0 457.619 3.774 20 0 JHADRO COC(=O)[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1OC(F)(F)F ZINC001308082155 1070306920 /nfs/dbraw/zinc/30/69/20/1070306920.db2.gz DEZHBVHGGIGVOJ-NQIIRXRSSA-N 1 0 452.473 3.680 20 0 JHADRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001313249155 1070304663 /nfs/dbraw/zinc/30/46/63/1070304663.db2.gz FSFUGHXLRHBYKL-CWBXHPNXSA-N 1 0 456.631 3.795 20 0 JHADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](Cc1cc(=O)oc3c(C)c(C)ccc13)C2 ZINC001308078096 1070305089 /nfs/dbraw/zinc/30/50/89/1070305089.db2.gz NMVUKAWOVPXVSQ-UYXZNNOOSA-N 1 0 470.566 3.688 20 0 JHADRO COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(C(=O)OC(C)(C)C)CC2)ccc1C ZINC001308078815 1070305873 /nfs/dbraw/zinc/30/58/73/1070305873.db2.gz SPKLXYGXDOAPBD-SZPZYZBQSA-N 1 0 457.615 3.830 20 0 JHADRO NC(=O)c1ccc(-c2nc(CN3CCC[N@H+](Cc4ccccc4)CCOCC3)cs2)cc1 ZINC001308107138 1070313984 /nfs/dbraw/zinc/31/39/84/1070313984.db2.gz JBPYBGQWRGAVAU-UHFFFAOYSA-N 1 0 450.608 3.634 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314428197 1070308476 /nfs/dbraw/zinc/30/84/76/1070308476.db2.gz FAXPCTDFKATIBF-TZIWHRDSSA-N 1 0 492.064 3.827 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001313280763 1070314988 /nfs/dbraw/zinc/31/49/88/1070314988.db2.gz NVEKLJMKAFHMPQ-YMPZKCBVSA-N 1 0 473.662 3.971 20 0 JHADRO O=C(NCC[NH2+]C(c1ccccc1)c1ccccc1)NCc1nc(Cc2ccccc2F)no1 ZINC001313285795 1070316359 /nfs/dbraw/zinc/31/63/59/1070316359.db2.gz PCLVSIDKWBHLLN-UHFFFAOYSA-N 1 0 459.525 3.978 20 0 JHADRO Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cn1 ZINC001308115895 1070317944 /nfs/dbraw/zinc/31/79/44/1070317944.db2.gz QXOYQQFXIDXOBE-UXHICEINSA-N 1 0 450.649 3.706 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001314434298 1070319752 /nfs/dbraw/zinc/31/97/52/1070319752.db2.gz LVGJJBVUVBSIPB-NHCUHLMSSA-N 1 0 471.646 3.946 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314437257 1070324808 /nfs/dbraw/zinc/32/48/08/1070324808.db2.gz VRAFNPKMPRYIFX-ROUUACIJSA-N 1 0 479.467 3.641 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001314437621 1070325517 /nfs/dbraw/zinc/32/55/17/1070325517.db2.gz VQVMYVNTXMRRBY-DYESRHJHSA-N 1 0 459.541 3.906 20 0 JHADRO C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1cccnc1 ZINC001313323246 1070327970 /nfs/dbraw/zinc/32/79/70/1070327970.db2.gz FTKVNOAEGTZXKP-PZJWPPBQSA-N 1 0 452.534 3.853 20 0 JHADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)[C@H](C)C1 ZINC001313335100 1070329688 /nfs/dbraw/zinc/32/96/88/1070329688.db2.gz BNNZIPFMCVGRIM-XTOGBABISA-N 1 0 458.647 3.983 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314441083 1070330113 /nfs/dbraw/zinc/33/01/13/1070330113.db2.gz VIIRDGBAHYILDQ-QNWVGRARSA-N 1 0 454.663 3.883 20 0 JHADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001313343947 1070333070 /nfs/dbraw/zinc/33/30/70/1070333070.db2.gz LWGYSDXCUVHFHC-ZYQDXHPFSA-N 1 0 494.636 3.588 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2[NH2+]CCCON1C(=O)c2ccccc2C1=O ZINC001308170848 1070334924 /nfs/dbraw/zinc/33/49/24/1070334924.db2.gz KFMAMNVQOQVLGE-HSALFYBXSA-N 1 0 457.571 3.618 20 0 JHADRO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1CCN(C)C(=O)OC(C)(C)C ZINC001308173017 1070335529 /nfs/dbraw/zinc/33/55/29/1070335529.db2.gz KILUWCPHQWSXOR-RTBURBONSA-N 1 0 452.592 3.555 20 0 JHADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c1 ZINC001308172546 1070335654 /nfs/dbraw/zinc/33/56/54/1070335654.db2.gz FZERBPOPTFAJTH-SXMMONRFSA-N 1 0 458.603 3.989 20 0 JHADRO COc1cc(Br)c(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)c(OC)c1 ZINC001308180883 1070338749 /nfs/dbraw/zinc/33/87/49/1070338749.db2.gz RRCDTDYXGRPFTC-HXUWFJFHSA-N 1 0 453.352 3.769 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001308182188 1070338109 /nfs/dbraw/zinc/33/81/09/1070338109.db2.gz QURZRSJDCGDPDG-JOCHJYFZSA-N 1 0 454.619 3.604 20 0 JHADRO FC(F)(F)COc1ccc(C[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)cn1 ZINC001308203618 1070340615 /nfs/dbraw/zinc/34/06/15/1070340615.db2.gz ZBTPEPWZSZXBRZ-UHFFFAOYSA-N 1 0 459.896 3.677 20 0 JHADRO C[NH+]1CCN(C[C@H](NCc2ccc(F)cc2I)c2ccccc2)CC1 ZINC001308243606 1070344915 /nfs/dbraw/zinc/34/49/15/1070344915.db2.gz ALYZATNBGVTVIV-FQEVSTJZSA-N 1 0 453.343 3.509 20 0 JHADRO O[C@H](C[NH2+]Cc1ccnc(Cl)c1Cl)COc1ccc(I)cc1 ZINC001308245070 1070344973 /nfs/dbraw/zinc/34/49/73/1070344973.db2.gz WIEAYIRMLPYCLM-GFCCVEGCSA-N 1 0 453.107 3.523 20 0 JHADRO CCc1cc(N2CCC[C@@H]([NH2+][C@H]3CCOC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2)ncn1 ZINC001308250407 1070345384 /nfs/dbraw/zinc/34/53/84/1070345384.db2.gz RORRYRRQDMOCHM-LEWJYISDSA-N 1 0 459.635 3.546 20 0 JHADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC001308247725 1070345649 /nfs/dbraw/zinc/34/56/49/1070345649.db2.gz WUNQCIPNJLLZOT-UHFFFAOYSA-N 1 0 453.823 3.617 20 0 JHADRO CC[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)NCc1cccs1 ZINC001313403601 1070349112 /nfs/dbraw/zinc/34/91/12/1070349112.db2.gz LGKKIQHJUWHKMP-SRUXOGRHSA-N 1 0 454.640 3.743 20 0 JHADRO CCOCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001314451163 1070347802 /nfs/dbraw/zinc/34/78/02/1070347802.db2.gz HYHBXLAKWWAMRJ-UHFFFAOYSA-N 1 0 453.429 3.773 20 0 JHADRO CC1(C)Oc2ccsc2[C@@H](NC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)[C@@H]1O ZINC001313396523 1070347947 /nfs/dbraw/zinc/34/79/47/1070347947.db2.gz ITYNFPDVOIBCIN-GGAORHGYSA-N 1 0 451.592 4.000 20 0 JHADRO CSC[C@@H](CCO)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC001308276126 1070349895 /nfs/dbraw/zinc/34/98/95/1070349895.db2.gz MGATWTVXWVVNNT-JOCHJYFZSA-N 1 0 453.608 3.963 20 0 JHADRO C[C@H]1CC2(CN1C(=O)NC1CCN(c3cc[nH+]cc3)CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001313409373 1070350351 /nfs/dbraw/zinc/35/03/51/1070350351.db2.gz KWWIURBGCYADOY-IBGZPJMESA-N 1 0 457.619 3.872 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001313413839 1070352198 /nfs/dbraw/zinc/35/21/98/1070352198.db2.gz DXKFHIWIJMAIBI-ACIOBRDBSA-N 1 0 456.631 3.797 20 0 JHADRO COc1cc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)ccc1S(C)(=O)=O ZINC001313417272 1070353167 /nfs/dbraw/zinc/35/31/67/1070353167.db2.gz CZGCDIJGHBMWAY-PXNSSMCTSA-N 1 0 451.633 3.504 20 0 JHADRO COc1cc(C[NH2+]Cc2ccc(C(N)=O)nc2)ccc1OCc1ccc(Br)cc1 ZINC001308326977 1070357359 /nfs/dbraw/zinc/35/73/59/1070357359.db2.gz FRAKIVVCHZZMKB-UHFFFAOYSA-N 1 0 456.340 3.820 20 0 JHADRO COc1cc(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc(OC)c1OCc1ccccc1 ZINC001308336169 1070358257 /nfs/dbraw/zinc/35/82/57/1070358257.db2.gz CVSDGLMGBWPELI-SFHVURJKSA-N 1 0 452.473 3.926 20 0 JHADRO O=C(NC[C@@H](Cc1ccccc1)c1ccccn1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001313423590 1070355271 /nfs/dbraw/zinc/35/52/71/1070355271.db2.gz FCXQIEZKKKKSGF-RUZDIDTESA-N 1 0 450.627 3.942 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+][C@H](CC(N)=O)c1ccccc1Cl)CCO2 ZINC001308351526 1070360129 /nfs/dbraw/zinc/36/01/29/1070360129.db2.gz VATWCEXMWWRWNE-QFBILLFUSA-N 1 0 451.995 3.795 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001313446795 1070364363 /nfs/dbraw/zinc/36/43/63/1070364363.db2.gz FQGZURABWVCIEX-SLYNCCJLSA-N 1 0 479.572 3.661 20 0 JHADRO Cn1cc(C[NH2+]C[C@H]2CCCN2Cc2ccc(I)cc2)c(C2CC2)n1 ZINC001308383562 1070365003 /nfs/dbraw/zinc/36/50/03/1070365003.db2.gz AHFGIOHVRVAXAJ-LJQANCHMSA-N 1 0 450.368 3.656 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001313446738 1070364525 /nfs/dbraw/zinc/36/45/25/1070364525.db2.gz FELCWVGPEGYPJQ-FCHUYYIVSA-N 1 0 473.687 3.740 20 0 JHADRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2ccc(I)c(Cl)c2)c1 ZINC001308385607 1070365737 /nfs/dbraw/zinc/36/57/37/1070365737.db2.gz OMUXULUZTXETCP-UHFFFAOYSA-N 1 0 450.729 3.606 20 0 JHADRO CCOc1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c1 ZINC001308392728 1070367356 /nfs/dbraw/zinc/36/73/56/1070367356.db2.gz MGAHIUQIRWZBDS-GOSISDBHSA-N 1 0 453.402 3.791 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001313447924 1070369626 /nfs/dbraw/zinc/36/96/26/1070369626.db2.gz MFKOAXHXJZHMRN-VWPQPMDRSA-N 1 0 457.619 3.664 20 0 JHADRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cnc3c(C)cc(Br)cn23)s1 ZINC001308399014 1070369662 /nfs/dbraw/zinc/36/96/62/1070369662.db2.gz GVYHJUQZNIDTHH-NWDGAFQWSA-N 1 0 451.394 3.572 20 0 JHADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cnc3c(C)cc(Br)cn23)s1 ZINC001308399017 1070369680 /nfs/dbraw/zinc/36/96/80/1070369680.db2.gz GVYHJUQZNIDTHH-VXGBXAGGSA-N 1 0 451.394 3.572 20 0 JHADRO COCCNC(=O)c1ccc(NCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cc1Cl ZINC001308400304 1070370052 /nfs/dbraw/zinc/37/00/52/1070370052.db2.gz YBBDCNZGODOHMB-UHFFFAOYSA-N 1 0 455.889 3.711 20 0 JHADRO CCOc1cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001308432592 1070374663 /nfs/dbraw/zinc/37/46/63/1070374663.db2.gz BRNWJTNNNXUWNA-FUHWJXTLSA-N 1 0 479.499 3.865 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001313448616 1070371943 /nfs/dbraw/zinc/37/19/43/1070371943.db2.gz RULKWKZXFPRYOO-SFHVURJKSA-N 1 0 488.036 3.860 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001313449128 1070373652 /nfs/dbraw/zinc/37/36/52/1070373652.db2.gz VKHDUEHKBCAGPE-MJGOQNOKSA-N 1 0 489.462 3.557 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313449195 1070373887 /nfs/dbraw/zinc/37/38/87/1070373887.db2.gz VVCFWAZBYQRCAF-NRFANRHFSA-N 1 0 468.646 3.523 20 0 JHADRO CCCN1CCCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313449685 1070375461 /nfs/dbraw/zinc/37/54/61/1070375461.db2.gz QAWKECKPCVZWTB-RTWAWAEBSA-N 1 0 486.636 3.565 20 0 JHADRO CCOCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314469665 1070380166 /nfs/dbraw/zinc/38/01/66/1070380166.db2.gz MVHPDPSURLMBRJ-WOJBJXKFSA-N 1 0 457.619 3.557 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccco1 ZINC001313451545 1070380275 /nfs/dbraw/zinc/38/02/75/1070380275.db2.gz XDOVUGGMBFLALQ-PZJWPPBQSA-N 1 0 488.633 3.690 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001313450562 1070377657 /nfs/dbraw/zinc/37/76/57/1070377657.db2.gz ZDECIEVDWFFBNN-FKBYEOEOSA-N 1 0 489.686 3.533 20 0 JHADRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)ccc1OCC(F)(F)F ZINC001308479198 1070380311 /nfs/dbraw/zinc/38/03/11/1070380311.db2.gz GGZUMSMQPQNHJD-IAGOWNOFSA-N 1 0 450.523 3.509 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313451644 1070380497 /nfs/dbraw/zinc/38/04/97/1070380497.db2.gz ZZUXKMFYHSTJOF-HBMCJLEFSA-N 1 0 490.643 3.567 20 0 JHADRO COc1cc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc(I)c1OC ZINC001308454602 1070378192 /nfs/dbraw/zinc/37/81/92/1070378192.db2.gz KMMOPXACTZOTNX-WBVHZDCISA-N 1 0 454.308 3.713 20 0 JHADRO CN1CC[NH+](CCCOc2ccc(NCc3nc(C(F)(F)F)n4c3CCCC4)cc2)CC1 ZINC001308458846 1070378252 /nfs/dbraw/zinc/37/82/52/1070378252.db2.gz ZTSRHBSKIPTDFI-UHFFFAOYSA-N 1 0 451.537 3.867 20 0 JHADRO CCOCCN(C)c1nnc(-c2cccc(C)n2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001314468467 1070379134 /nfs/dbraw/zinc/37/91/34/1070379134.db2.gz GQCYGGXLVJACTE-UHFFFAOYSA-N 1 0 456.635 3.545 20 0 JHADRO Brc1cc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)cc2c1OCCCO2 ZINC001308481330 1070380498 /nfs/dbraw/zinc/38/04/98/1070380498.db2.gz QIJRIZDNBNSVSJ-UHFFFAOYSA-N 1 0 450.402 3.848 20 0 JHADRO COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001308486926 1070381075 /nfs/dbraw/zinc/38/10/75/1070381075.db2.gz COXROEOZLKMNKJ-PBHICJAKSA-N 1 0 458.150 3.941 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313452277 1070382134 /nfs/dbraw/zinc/38/21/34/1070382134.db2.gz KALAMVQMUUWOTN-RTWAWAEBSA-N 1 0 486.636 3.986 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCc1ccc(Cl)cc1 ZINC001313452586 1070383329 /nfs/dbraw/zinc/38/33/29/1070383329.db2.gz MNRSFSTWUPRONZ-NRFANRHFSA-N 1 0 459.038 3.607 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313452707 1070383532 /nfs/dbraw/zinc/38/35/32/1070383532.db2.gz KIVVXZCFFBWWFI-GHTZIAJQSA-N 1 0 497.562 3.898 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001313453110 1070384581 /nfs/dbraw/zinc/38/45/81/1070384581.db2.gz PGEFWTOGUFAHPR-IRLDBZIGSA-N 1 0 457.594 3.927 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC001308533499 1070386512 /nfs/dbraw/zinc/38/65/12/1070386512.db2.gz ZAJKAMVRXCSNRN-PEPAQOBHSA-N 1 0 459.612 3.773 20 0 JHADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC001308535930 1070386925 /nfs/dbraw/zinc/38/69/25/1070386925.db2.gz YFCMGSKZURPDQX-CHWSQXEVSA-N 1 0 457.394 3.625 20 0 JHADRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC001308563269 1070390235 /nfs/dbraw/zinc/39/02/35/1070390235.db2.gz WSIVIHNAAWEADZ-HKUYNNGSSA-N 1 0 452.437 3.803 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)C1 ZINC001308565811 1070390980 /nfs/dbraw/zinc/39/09/80/1070390980.db2.gz YMBJBXVNTUVSHZ-YADHBBJMSA-N 1 0 455.603 3.889 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2CCC(C)C)c2ccccc2c1=O ZINC001313457923 1070400797 /nfs/dbraw/zinc/40/07/97/1070400797.db2.gz AWKNBXXEOWMBST-IBGZPJMESA-N 1 0 451.619 3.642 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)CC)n2CC2([NH+]3CCSCC3)CCCC2)C1 ZINC001313457810 1070400267 /nfs/dbraw/zinc/40/02/67/1070400267.db2.gz HEJAVIDCVVQIBI-SFTDATJTSA-N 1 0 476.735 3.896 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001313458436 1070403103 /nfs/dbraw/zinc/40/31/03/1070403103.db2.gz BNKXICIDMVTFPO-GGAORHGYSA-N 1 0 482.673 3.817 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](OC)[C@H](C)CC)c2ccccc2c1=O ZINC001313459074 1070405238 /nfs/dbraw/zinc/40/52/38/1070405238.db2.gz JDFAGUMTKMQBED-NFBKMPQASA-N 1 0 495.672 3.657 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCC[N@@H+]2CCC)C1 ZINC001313459296 1070405861 /nfs/dbraw/zinc/40/58/61/1070405861.db2.gz GSMTZOMXRZUJNV-GOTSBHOMSA-N 1 0 482.673 3.961 20 0 JHADRO CCCn1nc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313460284 1070410071 /nfs/dbraw/zinc/41/00/71/1070410071.db2.gz NEZLCBPLVULTCO-OALUTQOASA-N 1 0 483.686 3.737 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCn3cc(C)nc32)C[C@H]1CC ZINC001314494947 1070411821 /nfs/dbraw/zinc/41/18/21/1070411821.db2.gz UQCYXEYUVADOMY-NHCUHLMSSA-N 1 0 457.667 3.595 20 0 JHADRO CCOCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001314493491 1070407655 /nfs/dbraw/zinc/40/76/55/1070407655.db2.gz HXVUHIQRIKXKGO-HXUWFJFHSA-N 1 0 490.599 3.741 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1CC ZINC001314494967 1070411964 /nfs/dbraw/zinc/41/19/64/1070411964.db2.gz VAGXSNGPRXJXKX-IBGZPJMESA-N 1 0 478.037 3.812 20 0 JHADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH+]2CCN(c3cc(C)ccc3C)CC2)cnn1C ZINC001308648251 1070409186 /nfs/dbraw/zinc/40/91/86/1070409186.db2.gz GHRDKDUZUBVQQI-QFIPXVFZSA-N 1 0 455.647 3.851 20 0 JHADRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCN(C(=O)OCc4ccccc4)C3)nc12 ZINC001308672727 1070414984 /nfs/dbraw/zinc/41/49/84/1070414984.db2.gz RJITZHBRDWBLIX-LJQANCHMSA-N 1 0 457.372 3.948 20 0 JHADRO CCOCCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314495778 1070415374 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/nfs/dbraw/zinc/42/46/79/1070424679.db2.gz IWJHNGSDPOHATA-VXKWHMMOSA-N 1 0 463.667 3.542 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1(C)C ZINC001308727384 1070426804 /nfs/dbraw/zinc/42/68/04/1070426804.db2.gz TWTYPFRYIZLKTE-JKSUJKDBSA-N 1 0 450.523 3.890 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2CCc2c(C)cccc2C)C[C@H]1CC ZINC001314499962 1070428872 /nfs/dbraw/zinc/42/88/72/1070428872.db2.gz FLEORYFCFGORTR-XZOQPEGZSA-N 1 0 455.647 3.579 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCSC2(C)C)C[C@@H]1CC ZINC001314499794 1070429032 /nfs/dbraw/zinc/42/90/32/1070429032.db2.gz OIGJXVHWDLVIJB-YADHBBJMSA-N 1 0 472.703 3.733 20 0 JHADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c1 ZINC001308751689 1070430250 /nfs/dbraw/zinc/43/02/50/1070430250.db2.gz LKTCTKNXQVMXMG-QZTJIDSGSA-N 1 0 459.450 3.752 20 0 JHADRO COc1ccc(CC[C@@H](C)[NH2+]CC2(N3CCN(c4ccccc4)CC3)CCOCC2)cc1O ZINC001308764128 1070433510 /nfs/dbraw/zinc/43/35/10/1070433510.db2.gz FLNJEYPDWLCALS-JOCHJYFZSA-N 1 0 453.627 3.683 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc3c(c2)OCO3)C[C@@H]1CC ZINC001314501698 1070434645 /nfs/dbraw/zinc/43/46/45/1070434645.db2.gz RTCLRUNUKMZXKD-FQEVSTJZSA-N 1 0 457.619 3.581 20 0 JHADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001308783139 1070438042 /nfs/dbraw/zinc/43/80/42/1070438042.db2.gz SEBPIYVQNJJFCZ-XGHQBKJUSA-N 1 0 457.546 3.902 20 0 JHADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC001308769959 1070435181 /nfs/dbraw/zinc/43/51/81/1070435181.db2.gz OGPLYFZPJRWBTC-VTUOOYILSA-N 1 0 453.587 3.736 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001313466131 1070437271 /nfs/dbraw/zinc/43/72/71/1070437271.db2.gz KFOKZGKCRMPFSJ-FDFHNCONSA-N 1 0 483.705 3.783 20 0 JHADRO C[C@H]1CN(c2ccccc2C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CCO1 ZINC001308766212 1070433451 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1070450787 /nfs/dbraw/zinc/45/07/87/1070450787.db2.gz XWTOWRCTPPLBRT-HIRMHNASSA-N 1 0 472.504 3.571 20 0 JHADRO COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)o1 ZINC001308868372 1070451529 /nfs/dbraw/zinc/45/15/29/1070451529.db2.gz ADXQBWPFEWBJRG-SFHVURJKSA-N 1 0 456.539 3.991 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C[C@H]1c1ccccc1 ZINC001308868603 1070451636 /nfs/dbraw/zinc/45/16/36/1070451636.db2.gz QALIUCAIBFPFKU-BQJUDKOJSA-N 1 0 451.633 3.577 20 0 JHADRO CCOC(=O)Cn1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)c(-c2cccnc2)n1 ZINC001308894874 1070455809 /nfs/dbraw/zinc/45/58/09/1070455809.db2.gz RRZXPMYCDLODCQ-LJQANCHMSA-N 1 0 457.937 3.669 20 0 JHADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001308926672 1070460402 /nfs/dbraw/zinc/46/04/02/1070460402.db2.gz YSYQNRWFMAZCSQ-QGZVFWFLSA-N 1 0 450.649 3.512 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@H+](C)C(C)C)CC1 ZINC001313471278 1070460888 /nfs/dbraw/zinc/46/08/88/1070460888.db2.gz FRFYXUNNORBLLP-UHFFFAOYSA-N 1 0 477.053 3.690 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3cnc(NC(=O)OC(C)(C)C)cn3)C2)O1 ZINC001308914990 1070459087 /nfs/dbraw/zinc/45/90/87/1070459087.db2.gz REFMJOKXIXUKJE-DFBJGRDBSA-N 1 0 453.587 3.689 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(C[C@@H](C[NH2+]Cc3cc(Cl)cc4c3OCC4)OC2=O)CC1 ZINC001308946785 1070464554 /nfs/dbraw/zinc/46/45/54/1070464554.db2.gz WSWKDYDIMKWDIJ-SFHVURJKSA-N 1 0 450.963 3.697 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCCCc2ccccc21 ZINC001308961509 1070467055 /nfs/dbraw/zinc/46/70/55/1070467055.db2.gz WHEXBQQFZPBERZ-FUPPJEDESA-N 1 0 457.615 3.750 20 0 JHADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CCc1nc2c(s1)CCC2 ZINC001308935291 1070462102 /nfs/dbraw/zinc/46/21/02/1070462102.db2.gz MIXUBLAREJYCLR-UHFFFAOYSA-N 1 0 453.402 3.977 20 0 JHADRO COC(=O)c1ccc(COc2ccccc2C[NH2+]CCc2ccccc2S(C)(=O)=O)cc1 ZINC001308935396 1070462118 /nfs/dbraw/zinc/46/21/18/1070462118.db2.gz RDMJPGWZRFNLHY-UHFFFAOYSA-N 1 0 453.560 3.788 20 0 JHADRO COCCc1ccc(OC[C@H](C)[NH2+][C@H](CO)c2ccccc2I)cc1 ZINC001308972682 1070468380 /nfs/dbraw/zinc/46/83/80/1070468380.db2.gz QUTOHAAHDZMHET-MGPUTAFESA-N 1 0 455.336 3.571 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CC3CCCC3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001314511277 1070469887 /nfs/dbraw/zinc/46/98/87/1070469887.db2.gz OJYXXNHZDQWKDJ-FQEVSTJZSA-N 1 0 465.708 3.679 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CC[N@@H+]2CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001308990492 1070471616 /nfs/dbraw/zinc/47/16/16/1070471616.db2.gz SCDOTIKFYRVQRN-KOSHJBKYSA-N 1 0 453.624 3.830 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001313474359 1070471941 /nfs/dbraw/zinc/47/19/41/1070471941.db2.gz GEFCJJOQNOHMES-UHFFFAOYSA-N 1 0 484.664 3.873 20 0 JHADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC001308998243 1070475243 /nfs/dbraw/zinc/47/52/43/1070475243.db2.gz HTMRWFWTEDKLEK-IBGZPJMESA-N 1 0 452.418 3.631 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[NH+]1CCC(C)CC1 ZINC001314513522 1070479289 /nfs/dbraw/zinc/47/92/89/1070479289.db2.gz SLDONLFVUWGLLS-KRWDZBQOSA-N 1 0 486.057 3.729 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001313477052 1070483217 /nfs/dbraw/zinc/48/32/17/1070483217.db2.gz NAXUIPWNXCQUEG-OAQYLSRUSA-N 1 0 496.700 3.948 20 0 JHADRO O=C(Nc1ccc(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1)c1ccncc1 ZINC001309011679 1070483297 /nfs/dbraw/zinc/48/32/97/1070483297.db2.gz SKFOYHRIUPJGCL-UHFFFAOYSA-N 1 0 456.612 3.801 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314515539 1070486731 /nfs/dbraw/zinc/48/67/31/1070486731.db2.gz HPBGTSWVKVEMRU-IMWIBFENSA-N 1 0 479.666 3.854 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314515929 1070488313 /nfs/dbraw/zinc/48/83/13/1070488313.db2.gz HSLBYZILOOGISS-ZJSXRUAMSA-N 1 0 496.681 3.745 20 0 JHADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c(F)cccc1Br)c1cccc(OC)c1 ZINC001309026131 1070492865 /nfs/dbraw/zinc/49/28/65/1070492865.db2.gz PGEUOXKJDOBOAE-SFHVURJKSA-N 1 0 459.381 3.958 20 0 JHADRO Cc1cc(Cl)c(C)c(S(=O)(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC001309031099 1070496074 /nfs/dbraw/zinc/49/60/74/1070496074.db2.gz YQQFPWBFBXRUKD-UHFFFAOYSA-N 1 0 456.439 3.706 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314519058 1070500203 /nfs/dbraw/zinc/50/02/03/1070500203.db2.gz NNMPCXCRYYPYLX-VQTJNVASSA-N 1 0 486.686 3.806 20 0 JHADRO CCCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001313485958 1070502518 /nfs/dbraw/zinc/50/25/18/1070502518.db2.gz AAKXREIEIYTOIL-PKTZIBPZSA-N 1 0 482.673 3.873 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314523580 1070514439 /nfs/dbraw/zinc/51/44/39/1070514439.db2.gz YZOPNMQMMCGJLZ-DLBZAZTESA-N 1 0 486.057 3.729 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314523582 1070514509 /nfs/dbraw/zinc/51/45/09/1070514509.db2.gz YZOPNMQMMCGJLZ-IRXDYDNUSA-N 1 0 486.057 3.729 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNS(=O)(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC001309061038 1070515273 /nfs/dbraw/zinc/51/52/73/1070515273.db2.gz FPJOHKIEZYIKPS-OYRHEFFESA-N 1 0 452.624 3.970 20 0 JHADRO Cc1cc2cc(S(=O)(=O)NCc3ccc(C[NH+]4C[C@@H](C)C[C@H](C)C4)cc3)ccc2[nH]c1=O ZINC001309064156 1070516807 /nfs/dbraw/zinc/51/68/07/1070516807.db2.gz QHUDNFHLZBZXPS-ROUUACIJSA-N 1 0 453.608 3.793 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314530375 1070523261 /nfs/dbraw/zinc/52/32/61/1070523261.db2.gz VALWPTQULDDHIM-NJDAHSKKSA-N 1 0 497.750 3.578 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2Cc2cc(C)nn2C)cc1OC ZINC001313501745 1070525719 /nfs/dbraw/zinc/52/57/19/1070525719.db2.gz HGSCBMMIYSKFQA-VQTJNVASSA-N 1 0 481.645 3.752 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001313502728 1070530210 /nfs/dbraw/zinc/53/02/10/1070530210.db2.gz LGDMNUCBWAIISG-DCFHFQCYSA-N 1 0 498.672 3.565 20 0 JHADRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cc(F)ccc1OCCOC ZINC001309087477 1070531689 /nfs/dbraw/zinc/53/16/89/1070531689.db2.gz KEGXXOFDOUJDDP-RXVVDRJESA-N 1 0 450.576 3.697 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[C@H]3C)n2C[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC001313505579 1070544451 /nfs/dbraw/zinc/54/44/51/1070544451.db2.gz JSVRWNTYKIESKA-VQTJNVASSA-N 1 0 457.619 3.700 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC001313506094 1070546474 /nfs/dbraw/zinc/54/64/74/1070546474.db2.gz NEMFKVDLULTCNV-IFMALSPDSA-N 1 0 498.672 3.530 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2C[C@@H](C)OC)cc1OC ZINC001313507026 1070550964 /nfs/dbraw/zinc/55/09/64/1070550964.db2.gz RIUBXZZGQHGKFL-TZIWHRDSSA-N 1 0 457.619 3.842 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC001309129065 1070554435 /nfs/dbraw/zinc/55/44/35/1070554435.db2.gz NZSSTVOSZKGDQJ-UHFFFAOYSA-N 1 0 454.873 3.972 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCOCC3)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001313513068 1070565943 /nfs/dbraw/zinc/56/59/43/1070565943.db2.gz DDTPZMRAVJIQAH-UHFFFAOYSA-N 1 0 457.619 3.844 20 0 JHADRO CC[S@@](=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314568069 1070573259 /nfs/dbraw/zinc/57/32/59/1070573259.db2.gz XPFGWPPPPFJQHW-JGCGQSQUSA-N 1 0 456.660 3.516 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCOCC3)n2CC[N@@H+]2CCCC[C@@H]2CC)cc1OC ZINC001313515912 1070575229 /nfs/dbraw/zinc/57/52/29/1070575229.db2.gz ZIVAOMPJGFAAEX-NRFANRHFSA-N 1 0 457.619 3.844 20 0 JHADRO CC[S@](=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001314574850 1070581957 /nfs/dbraw/zinc/58/19/57/1070581957.db2.gz AZAWISXXIDBFLI-XIFFEERXSA-N 1 0 473.687 3.697 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CC=CCC2)n1 ZINC001314576826 1070585011 /nfs/dbraw/zinc/58/50/11/1070585011.db2.gz LDRFPMJQYBAQTA-KRWDZBQOSA-N 1 0 457.604 3.942 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CC=CCC2)n1 ZINC001314576829 1070585095 /nfs/dbraw/zinc/58/50/95/1070585095.db2.gz LDRFPMJQYBAQTA-QGZVFWFLSA-N 1 0 457.604 3.942 20 0 JHADRO CC[S@@](=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001314579703 1070590758 /nfs/dbraw/zinc/59/07/58/1070590758.db2.gz PIBAVXGUBRZTHU-UUWRZZSWSA-N 1 0 487.714 3.945 20 0 JHADRO O=S(=O)(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC001309184328 1070591384 /nfs/dbraw/zinc/59/13/84/1070591384.db2.gz WRDPMCJQPKXIHU-UHFFFAOYSA-N 1 0 458.502 3.581 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)C1 ZINC001309192663 1070595851 /nfs/dbraw/zinc/59/58/51/1070595851.db2.gz FOUMEERTERMSAD-CVEARBPZSA-N 1 0 459.439 3.874 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@@H+]2CC)n1 ZINC001314582747 1070596853 /nfs/dbraw/zinc/59/68/53/1070596853.db2.gz NUCZTCZFXPOUSJ-IRXDYDNUSA-N 1 0 458.636 3.601 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001313526181 1070599954 /nfs/dbraw/zinc/59/99/54/1070599954.db2.gz NVKLUAXUPPHQSE-FCHUYYIVSA-N 1 0 462.683 3.712 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CC[N@H+](CC)C2)n1 ZINC001314583046 1070597729 /nfs/dbraw/zinc/59/77/29/1070597729.db2.gz OENBFZUUPAMONW-SJORKVTESA-N 1 0 456.620 3.515 20 0 JHADRO CCSc1cc(Cn2c(CC(C)(C)C)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)ccn1 ZINC001314583227 1070598451 /nfs/dbraw/zinc/59/84/51/1070598451.db2.gz HYLITASKVNMPID-HXUWFJFHSA-N 1 0 460.692 3.969 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001313526614 1070601395 /nfs/dbraw/zinc/60/13/95/1070601395.db2.gz PRUACBVICHCJRB-VXKWHMMOSA-N 1 0 456.635 3.505 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001313526609 1070601431 /nfs/dbraw/zinc/60/14/31/1070601431.db2.gz PRUACBVICHCJRB-FCHUYYIVSA-N 1 0 456.635 3.505 20 0 JHADRO CCSc1cc(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)ccn1 ZINC001314586549 1070608848 /nfs/dbraw/zinc/60/88/48/1070608848.db2.gz YBPPARNIKXIFBX-IBGZPJMESA-N 1 0 484.645 3.720 20 0 JHADRO Cc1noc(C)c1C[C@H](C)NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309208690 1070608980 /nfs/dbraw/zinc/60/89/80/1070608980.db2.gz ODABEKMLQSIBSD-WGXRPPGPSA-N 1 0 471.598 3.949 20 0 JHADRO O=S(=O)(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001309214093 1070612999 /nfs/dbraw/zinc/61/29/99/1070612999.db2.gz PBRAQCQRFYQNGJ-YADHBBJMSA-N 1 0 452.979 3.798 20 0 JHADRO Cc1ccc(S(=O)(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1N(C)C ZINC001309214384 1070613037 /nfs/dbraw/zinc/61/30/37/1070613037.db2.gz RZVIPBCGYHBXGG-UHFFFAOYSA-N 1 0 452.020 3.536 20 0 JHADRO CCSc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC001314588680 1070614139 /nfs/dbraw/zinc/61/41/39/1070614139.db2.gz JRFTUCVGWRVFOR-SFHVURJKSA-N 1 0 465.627 3.616 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001314591189 1070621128 /nfs/dbraw/zinc/62/11/28/1070621128.db2.gz DPVYDYROUCLIFQ-YLJYHZDGSA-N 1 0 479.094 3.924 20 0 JHADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(F)cc1C ZINC001309221273 1070621189 /nfs/dbraw/zinc/62/11/89/1070621189.db2.gz YNUZOHIYWOBLDK-QRWLVFNGSA-N 1 0 454.589 3.734 20 0 JHADRO CCCOCc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313532861 1070619453 /nfs/dbraw/zinc/61/94/53/1070619453.db2.gz IWTZHMRCLYJJLN-QFIPXVFZSA-N 1 0 465.646 3.645 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001314593794 1070629677 /nfs/dbraw/zinc/62/96/77/1070629677.db2.gz GZBMAJFDNCQKLI-BVYCBKJFSA-N 1 0 491.775 3.770 20 0 JHADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC001309246911 1070641434 /nfs/dbraw/zinc/64/14/34/1070641434.db2.gz NZPILOQRCAZZDX-OAQYLSRUSA-N 1 0 456.587 3.853 20 0 JHADRO CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001314599948 1070648495 /nfs/dbraw/zinc/64/84/95/1070648495.db2.gz ONWDMQPYFPYUFO-CTNGQTDRSA-N 1 0 475.707 3.678 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314601845 1070653412 /nfs/dbraw/zinc/65/34/12/1070653412.db2.gz VNQBWLKUWOSLNO-IYWMVGAKSA-N 1 0 462.708 3.850 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001314603597 1070658634 /nfs/dbraw/zinc/65/86/34/1070658634.db2.gz MBPCCJIIYFJKIT-FPOVZHCZSA-N 1 0 483.748 3.557 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001313548450 1070662472 /nfs/dbraw/zinc/66/24/72/1070662472.db2.gz MHMVLXRGOPJTQW-UHFFFAOYSA-N 1 0 489.462 3.641 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313549125 1070664266 /nfs/dbraw/zinc/66/42/66/1070664266.db2.gz WPHWNXJZKXGFPG-UHFFFAOYSA-N 1 0 491.478 3.744 20 0 JHADRO CCSCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001314610673 1070674435 /nfs/dbraw/zinc/67/44/35/1070674435.db2.gz HAZKQWXJUIMWPA-UHFFFAOYSA-N 1 0 479.654 3.781 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(C)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1 ZINC001313572615 1070686883 /nfs/dbraw/zinc/68/68/83/1070686883.db2.gz NLPRCFUSWHDBNS-UHFFFAOYSA-N 1 0 456.635 3.970 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(NC(=O)C(C)C)CC2)c1 ZINC001313573277 1070687357 /nfs/dbraw/zinc/68/73/57/1070687357.db2.gz SZGBGMCYCCLZLS-XMMPIXPASA-N 1 0 482.673 3.761 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)[C@@H](OC)C2)c1 ZINC001313573205 1070687374 /nfs/dbraw/zinc/68/73/74/1070687374.db2.gz CXRHGHYBSVNUCC-UGKGYDQZSA-N 1 0 496.681 3.631 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C)(COC)CC2)c1 ZINC001313574804 1070689860 /nfs/dbraw/zinc/68/98/60/1070689860.db2.gz MISOKMYBVVUAGQ-UHFFFAOYSA-N 1 0 479.673 3.893 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3nnc(C)o3)C2)c1 ZINC001313575513 1070691390 /nfs/dbraw/zinc/69/13/90/1070691390.db2.gz PSMIMCOVLFCZEG-NRFANRHFSA-N 1 0 467.618 3.636 20 0 JHADRO CCSCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001314618154 1070691656 /nfs/dbraw/zinc/69/16/56/1070691656.db2.gz LXECITCUYDYPDB-QFIPXVFZSA-N 1 0 486.730 3.790 20 0 JHADRO CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CC[NH+](C)CC1)[C@H](C)C1CCC1 ZINC001313576062 1070692019 /nfs/dbraw/zinc/69/20/19/1070692019.db2.gz CLKMIOXIJWJTFT-GOSISDBHSA-N 1 0 471.675 3.768 20 0 JHADRO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+](C)C(C)C)C1CCCC1 ZINC001313581174 1070700890 /nfs/dbraw/zinc/70/08/90/1070700890.db2.gz FWAMQYUOLTUCBJ-UHFFFAOYSA-N 1 0 461.680 3.656 20 0 JHADRO CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CCCCC1 ZINC001313579144 1070697857 /nfs/dbraw/zinc/69/78/57/1070697857.db2.gz WFUDWLDANAUMDP-UGKGYDQZSA-N 1 0 480.723 3.844 20 0 JHADRO Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1Cl ZINC001309323811 1070699374 /nfs/dbraw/zinc/69/93/74/1070699374.db2.gz YZYZONDVPMAHJU-MJGOQNOKSA-N 1 0 457.423 3.772 20 0 JHADRO CCSCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001314620909 1070699707 /nfs/dbraw/zinc/69/97/07/1070699707.db2.gz KYRRLFRTHIUGQR-BHIFYINESA-N 1 0 464.724 3.658 20 0 JHADRO CCSCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001314620911 1070699732 /nfs/dbraw/zinc/69/97/32/1070699732.db2.gz KYRRLFRTHIUGQR-VSKRKVRLSA-N 1 0 464.724 3.658 20 0 JHADRO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([NH+](C)C)CCC1)[C@H](C)C1CCC1 ZINC001313582030 1070702367 /nfs/dbraw/zinc/70/23/67/1070702367.db2.gz MUNIZUUCZNOXDK-LJQANCHMSA-N 1 0 488.702 3.695 20 0 JHADRO CC(C)(O)[C@@H]1CCCN1S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309328327 1070702785 /nfs/dbraw/zinc/70/27/85/1070702785.db2.gz AUXIFLIRXQVNPO-ZRBLBEILSA-N 1 0 463.043 3.873 20 0 JHADRO CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@@H+]1CCCO)C(C)C ZINC001313582403 1070703378 /nfs/dbraw/zinc/70/33/78/1070703378.db2.gz NUVPJPNICNOYGC-IBGZPJMESA-N 1 0 450.425 3.789 20 0 JHADRO CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001313583549 1070705922 /nfs/dbraw/zinc/70/59/22/1070705922.db2.gz VVEPXWKJHUZRTB-SHQCIBLASA-N 1 0 485.673 3.845 20 0 JHADRO CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC001313583842 1070707177 /nfs/dbraw/zinc/70/71/77/1070707177.db2.gz WQXHDVIHBCCDPI-HUUCEWRRSA-N 1 0 451.413 3.524 20 0 JHADRO CCOCCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001309341907 1070710462 /nfs/dbraw/zinc/71/04/62/1070710462.db2.gz ICEFBJPYFGQTJL-GVXSCFBNSA-N 1 0 458.624 3.681 20 0 JHADRO CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)C[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313585729 1070710662 /nfs/dbraw/zinc/71/06/62/1070710662.db2.gz CMBSSYQXFZTLQN-OFNKIYASSA-N 1 0 487.714 3.988 20 0 JHADRO CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC001313587179 1070712620 /nfs/dbraw/zinc/71/26/20/1070712620.db2.gz BZBZWRZKQWFJQQ-SFTDATJTSA-N 1 0 465.650 3.914 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001313587678 1070714148 /nfs/dbraw/zinc/71/41/48/1070714148.db2.gz LJGOUUFEPIKIII-RXVVDRJESA-N 1 0 480.078 3.732 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314626070 1070715565 /nfs/dbraw/zinc/71/55/65/1070715565.db2.gz RDGWIMGCSKWEMY-LJQANCHMSA-N 1 0 471.650 3.983 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(CC(C)(C)C)nnc1N(C)Cc1cc2ccccc2[nH]1 ZINC001314628538 1070724107 /nfs/dbraw/zinc/72/41/07/1070724107.db2.gz KALUCYMAOKLUCU-HSZRJFAPSA-N 1 0 479.673 3.927 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2ccccc2F)nnc1N(C)CCc1cccs1 ZINC001314628812 1070725422 /nfs/dbraw/zinc/72/54/22/1070725422.db2.gz LRRRFVLWDYVFJF-JOCHJYFZSA-N 1 0 484.645 3.767 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(C2CC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001314630371 1070730597 /nfs/dbraw/zinc/73/05/97/1070730597.db2.gz XYJNODIYDXCGEP-HXUWFJFHSA-N 1 0 478.563 3.753 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N2CCC[C@H](Oc3ccccc3)C2)nnc1C(C)(C)C ZINC001314629134 1070726067 /nfs/dbraw/zinc/72/60/67/1070726067.db2.gz NHRLCXJRIMOQAG-GOTSBHOMSA-N 1 0 482.673 3.566 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(F)(F)CC1 ZINC001314629095 1070726207 /nfs/dbraw/zinc/72/62/07/1070726207.db2.gz MZTZJBQLPYNNFL-LJQANCHMSA-N 1 0 480.991 3.777 20 0 JHADRO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1)[C@@H](C)C1CCC1 ZINC001313603029 1070726325 /nfs/dbraw/zinc/72/63/25/1070726325.db2.gz DWVOCEAZQUAUDO-JAXLGGSGSA-N 1 0 465.708 3.563 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001314629489 1070727329 /nfs/dbraw/zinc/72/73/29/1070727329.db2.gz AMMJDNUMVZORMA-UHFFFAOYSA-N 1 0 480.701 3.880 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(Cc2c(F)cccc2F)nnc1N1CCCCCCC1 ZINC001314629648 1070727999 /nfs/dbraw/zinc/72/79/99/1070727999.db2.gz RABXHDIYJQESGX-HSZRJFAPSA-N 1 0 488.627 3.860 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(CC(C)(C)C)nnc1N1C[C@@H]2CCCCCC[C@H]21 ZINC001314630319 1070730837 /nfs/dbraw/zinc/73/08/37/1070730837.db2.gz XCNGKMPGVXPGKM-BDTNDASRSA-N 1 0 458.695 3.968 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(CCc2ccccc2)nnc1N1CCCCCCC1 ZINC001314630539 1070731202 /nfs/dbraw/zinc/73/12/02/1070731202.db2.gz YRYDSFHMVGYPCK-DEOSSOPVSA-N 1 0 466.674 3.777 20 0 JHADRO CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCc1ccccc1Br ZINC001309376387 1070733189 /nfs/dbraw/zinc/73/31/89/1070733189.db2.gz CNZGLHQMSZXGKD-HXUWFJFHSA-N 1 0 451.430 3.918 20 0 JHADRO CN(C)C(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001314635691 1070739678 /nfs/dbraw/zinc/73/96/78/1070739678.db2.gz FAZDPSPZIMIITF-QGZVFWFLSA-N 1 0 463.001 3.528 20 0 JHADRO CN(C)C(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314637580 1070742072 /nfs/dbraw/zinc/74/20/72/1070742072.db2.gz ZZJGUFYTBXYDMP-JBRSBNLGSA-N 1 0 496.700 3.633 20 0 JHADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC001309403476 1070749643 /nfs/dbraw/zinc/74/96/43/1070749643.db2.gz VOWMOVRMQBPPEX-MGPUTAFESA-N 1 0 455.418 3.877 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1)C1CC1 ZINC001314647302 1070749421 /nfs/dbraw/zinc/74/94/21/1070749421.db2.gz QCOGESYCJGOBHK-FQEVSTJZSA-N 1 0 489.064 3.596 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCS(=O)CC1)c1cccs1 ZINC001314648102 1070751757 /nfs/dbraw/zinc/75/17/57/1070751757.db2.gz HRXSUIXNXQVTII-KRWDZBQOSA-N 1 0 494.484 3.641 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC001314648880 1070753784 /nfs/dbraw/zinc/75/37/84/1070753784.db2.gz PJQZPKASYLQMRV-LPHOPBHVSA-N 1 0 459.019 3.665 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001314649050 1070754229 /nfs/dbraw/zinc/75/42/29/1070754229.db2.gz KZSNZKDSEPOBTH-FQEVSTJZSA-N 1 0 461.536 3.651 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)c1ccco1 ZINC001314649599 1070756233 /nfs/dbraw/zinc/75/62/33/1070756233.db2.gz CMMBSAWOPYWGDB-KRWDZBQOSA-N 1 0 472.531 3.854 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314650032 1070757408 /nfs/dbraw/zinc/75/74/08/1070757408.db2.gz YMOHAIWTXRRZNT-PXNSSMCTSA-N 1 0 458.582 3.528 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314650036 1070757464 /nfs/dbraw/zinc/75/74/64/1070757464.db2.gz YMOHAIWTXRRZNT-YLJYHZDGSA-N 1 0 458.582 3.528 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)c1cccs1 ZINC001314650808 1070759198 /nfs/dbraw/zinc/75/91/98/1070759198.db2.gz UFAKNWBWJRTMRG-UTKZUKDTSA-N 1 0 495.575 3.629 20 0 JHADRO CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCOC1 ZINC001314651173 1070760670 /nfs/dbraw/zinc/76/06/70/1070760670.db2.gz AWNICYOIFWBORV-YUMYIRISSA-N 1 0 459.610 3.864 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CCCC1 ZINC001314651749 1070761795 /nfs/dbraw/zinc/76/17/95/1070761795.db2.gz AJPJUYICWBGUHS-UHFFFAOYSA-N 1 0 468.543 3.842 20 0 JHADRO C[NH+](C)[C@H](Cn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314653723 1070766718 /nfs/dbraw/zinc/76/67/18/1070766718.db2.gz OHFXWDDPNPGGOX-FGZHOGPDSA-N 1 0 458.695 3.829 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1)c1ccco1 ZINC001314651778 1070762055 /nfs/dbraw/zinc/76/20/55/1070762055.db2.gz SBJJCOLPORBPJT-OAQYLSRUSA-N 1 0 478.641 3.786 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(CC(N)=O)CC2)CCCCC1 ZINC001314653139 1070764790 /nfs/dbraw/zinc/76/47/90/1070764790.db2.gz KPNYHIGCWNYKKX-UHFFFAOYSA-N 1 0 459.038 3.955 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3Cl)nnc2N2CCC(O)(C(F)(F)F)CC2)CCOCC1 ZINC001314653452 1070765855 /nfs/dbraw/zinc/76/58/55/1070765855.db2.gz OUCDBYHPZGZSIW-UHFFFAOYSA-N 1 0 487.954 3.603 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCSC1 ZINC001314654098 1070767617 /nfs/dbraw/zinc/76/76/17/1070767617.db2.gz VOPPVDZTQLADHC-BCHFMIIMSA-N 1 0 484.714 3.772 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)CCOCC1 ZINC001314654157 1070767781 /nfs/dbraw/zinc/76/77/81/1070767781.db2.gz WJJHKEWXHREJDR-FQEVSTJZSA-N 1 0 493.599 3.909 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001313634791 1070768106 /nfs/dbraw/zinc/76/81/06/1070768106.db2.gz BKNQNZBFAZGUHV-FCHUYYIVSA-N 1 0 496.681 3.747 20 0 JHADRO CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CC2CC2)CC1)c1c(F)cccc1F ZINC001314654326 1070768278 /nfs/dbraw/zinc/76/82/78/1070768278.db2.gz FZCCKRYKTWVKMD-OAQYLSRUSA-N 1 0 460.617 3.980 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC001314654430 1070769039 /nfs/dbraw/zinc/76/90/39/1070769039.db2.gz GUYWEJTWRNRQSF-LEWJYISDSA-N 1 0 497.669 3.732 20 0 JHADRO C[NH+](C)[C@H](Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001314654662 1070769581 /nfs/dbraw/zinc/76/95/81/1070769581.db2.gz VQHQHXBUTLJBQJ-LEWJYISDSA-N 1 0 486.661 3.608 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001313635346 1070769583 /nfs/dbraw/zinc/76/95/83/1070769583.db2.gz MRWJMDKGGNCVDN-HPJWIMSGSA-N 1 0 496.700 3.779 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001314654911 1070770774 /nfs/dbraw/zinc/77/07/74/1070770774.db2.gz XWADHUSGGUDFKK-SVFBPWRDSA-N 1 0 488.633 3.861 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(CCC(N)=O)CC1)c1ccc(F)cc1 ZINC001314655398 1070772210 /nfs/dbraw/zinc/77/22/10/1070772210.db2.gz PZBIJODGDIQHBL-QHCPKHFHSA-N 1 0 470.637 3.935 20 0 JHADRO C[NH+](C)C1(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CCCCC1 ZINC001314655869 1070773919 /nfs/dbraw/zinc/77/39/19/1070773919.db2.gz DXPNMGZPZXYAGZ-PMACEKPBSA-N 1 0 476.666 3.888 20 0 JHADRO C[NH+](C)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(F)(F)F)CC2)CCCCC1 ZINC001314656178 1070774633 /nfs/dbraw/zinc/77/46/33/1070774633.db2.gz HYQNECPTNCBIEP-QGZVFWFLSA-N 1 0 456.557 3.663 20 0 JHADRO C[NH+](C)[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC001314656504 1070775170 /nfs/dbraw/zinc/77/51/70/1070775170.db2.gz ZDKVOFPYOBTFBD-SIKLNZKXSA-N 1 0 494.640 3.752 20 0 JHADRO C[NH+](C)C1(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CCCC1 ZINC001314657422 1070776860 /nfs/dbraw/zinc/77/68/60/1070776860.db2.gz CAQNITKCUQSKAV-LJQANCHMSA-N 1 0 467.536 3.542 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2cccc3cccnc32)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313637787 1070776969 /nfs/dbraw/zinc/77/69/69/1070776969.db2.gz RLYVQNGOWXXXHN-HXUWFJFHSA-N 1 0 463.630 3.672 20 0 JHADRO C[NH+](C)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C(C)(C)C)C2)CCCCC1 ZINC001314657936 1070777783 /nfs/dbraw/zinc/77/77/83/1070777783.db2.gz KWTODAUAAVQSKG-FQEVSTJZSA-N 1 0 488.702 3.785 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCCC1 ZINC001313638365 1070779049 /nfs/dbraw/zinc/77/90/49/1070779049.db2.gz HMFREKWZJMYTFC-OAQYLSRUSA-N 1 0 487.446 4.000 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(Cc2csc(C)n2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001313640783 1070786156 /nfs/dbraw/zinc/78/61/56/1070786156.db2.gz TYMWEDWHRJNCKZ-WMZHIEFXSA-N 1 0 468.671 3.986 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(N3CCN(Cc4cccc(Cl)c4)CC3)nnc2C(C)(C)C)CCSC1 ZINC001314661627 1070786413 /nfs/dbraw/zinc/78/64/13/1070786413.db2.gz ZBDCCDGCIMIOEU-XMMPIXPASA-N 1 0 477.122 3.989 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(C3CCCC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001314667114 1070800969 /nfs/dbraw/zinc/80/09/69/1070800969.db2.gz FKWJJHNYQQJRQA-HSZRJFAPSA-N 1 0 498.672 3.776 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001314665241 1070796711 /nfs/dbraw/zinc/79/67/11/1070796711.db2.gz FQJFLEZXQVKXGH-UHFFFAOYSA-N 1 0 470.637 3.577 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001314665576 1070797177 /nfs/dbraw/zinc/79/71/77/1070797177.db2.gz DJSWNOWWXYXFTO-UHFFFAOYSA-N 1 0 486.636 3.565 20 0 JHADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(Cc2ccsc2)n1CC(C)(C)C[NH+](C)C ZINC001314665675 1070797683 /nfs/dbraw/zinc/79/76/83/1070797683.db2.gz KSGNSQWBYZGABS-UHFFFAOYSA-N 1 0 475.684 3.558 20 0 JHADRO CN(C[C@@H]1COc2ccccc2O1)c1nnc(Cc2ccsc2)n1CC(C)(C)C[NH+](C)C ZINC001314666061 1070798269 /nfs/dbraw/zinc/79/82/69/1070798269.db2.gz QNPWFNNMVZMXFR-LJQANCHMSA-N 1 0 455.628 3.794 20 0 JHADRO CN(C[C@H]1CCCO1)c1nnc(-c2ccccc2Br)n1CC(C)(C)C[NH+](C)C ZINC001314665802 1070798296 /nfs/dbraw/zinc/79/82/96/1070798296.db2.gz RBNZHYIZJARGIN-MRXNPFEDSA-N 1 0 450.425 3.911 20 0 JHADRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001309483684 1070799360 /nfs/dbraw/zinc/79/93/60/1070799360.db2.gz JAAVAKUSJWRPES-GOSISDBHSA-N 1 0 454.423 3.574 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001314666448 1070799416 /nfs/dbraw/zinc/79/94/16/1070799416.db2.gz SKZQGDHMXCDQDS-UHFFFAOYSA-N 1 0 467.580 3.935 20 0 JHADRO CCN(CC)C(=O)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001313645207 1070801759 /nfs/dbraw/zinc/80/17/59/1070801759.db2.gz ODGCFCBIYUBLNW-WMTXJRDZSA-N 1 0 488.721 3.910 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1OCC[NH+](C)C ZINC001314668550 1070804669 /nfs/dbraw/zinc/80/46/69/1070804669.db2.gz KFZMTXODBPHLJJ-FYYLOGMGSA-N 1 0 457.619 3.514 20 0 JHADRO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)C[NH+](C)C ZINC001314668677 1070805239 /nfs/dbraw/zinc/80/52/39/1070805239.db2.gz VBYJIXIPUKJJNV-UHFFFAOYSA-N 1 0 495.672 3.735 20 0 JHADRO CCN(CC)C(=O)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001313645909 1070806413 /nfs/dbraw/zinc/80/64/13/1070806413.db2.gz SPYGMETUYUPFCT-YYTDSSBASA-N 1 0 474.694 3.518 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001314669182 1070806902 /nfs/dbraw/zinc/80/69/02/1070806902.db2.gz XEEGHBWFOWLNCO-HXUWFJFHSA-N 1 0 485.032 3.846 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCSC2(CCOCC2)C1 ZINC001314672397 1070817639 /nfs/dbraw/zinc/81/76/39/1070817639.db2.gz ZVRTWQSABAUPPC-UHFFFAOYSA-N 1 0 487.714 3.923 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(C3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC001314671025 1070813524 /nfs/dbraw/zinc/81/35/24/1070813524.db2.gz JGRFHBZFTGPMIE-UHFFFAOYSA-N 1 0 482.673 3.619 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(N3CCC[C@H](NC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)cc1 ZINC001314672872 1070818127 /nfs/dbraw/zinc/81/81/27/1070818127.db2.gz XDQHPUGOUKEMRG-NRFANRHFSA-N 1 0 484.689 3.695 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC=C(C(C)(C)C)CC2)cc1 ZINC001314672966 1070818425 /nfs/dbraw/zinc/81/84/25/1070818425.db2.gz ZBZBUMFDUSSZCS-UHFFFAOYSA-N 1 0 480.657 3.685 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(N3CCN(Cc4cccs4)CC3)nnc2C(C)(C)C)cc1 ZINC001314672525 1070817338 /nfs/dbraw/zinc/81/73/38/1070817338.db2.gz SBUCYOSEXKRCMT-UHFFFAOYSA-N 1 0 482.698 3.948 20 0 JHADRO C[NH+](C)CCOCCn1c(CC(C)(C)C)nnc1N1CCc2cc(Br)ccc2C1 ZINC001314673397 1070819244 /nfs/dbraw/zinc/81/92/44/1070819244.db2.gz NRMPXPFMPVQIDC-UHFFFAOYSA-N 1 0 464.452 3.770 20 0 JHADRO CN(c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCC(O)CC1)C1CCCCC1 ZINC001314679413 1070828552 /nfs/dbraw/zinc/82/85/52/1070828552.db2.gz CRZCONDYLSJNKY-UHFFFAOYSA-N 1 0 465.440 3.651 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(C1)CCOCC2 ZINC001313651125 1070825362 /nfs/dbraw/zinc/82/53/62/1070825362.db2.gz CGCXXJCKEMUDGH-OAQYLSRUSA-N 1 0 468.646 3.884 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001313652227 1070829296 /nfs/dbraw/zinc/82/92/96/1070829296.db2.gz QVCNBGGNIFYBQI-GHTZIAJQSA-N 1 0 491.080 3.843 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001313652386 1070829808 /nfs/dbraw/zinc/82/98/08/1070829808.db2.gz HQTOQULMWHBRBM-OAQYLSRUSA-N 1 0 485.652 3.790 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001313652578 1070830435 /nfs/dbraw/zinc/83/04/35/1070830435.db2.gz VYPCPUFHANRFGG-NFBKMPQASA-N 1 0 478.645 3.953 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313654510 1070839116 /nfs/dbraw/zinc/83/91/16/1070839116.db2.gz PQNGXDCIIZKZNG-SFTDATJTSA-N 1 0 475.726 3.916 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001313654408 1070838299 /nfs/dbraw/zinc/83/82/99/1070838299.db2.gz KRUSHMPZOXWALD-UHFFFAOYSA-N 1 0 497.688 3.802 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001313654135 1070836473 /nfs/dbraw/zinc/83/64/73/1070836473.db2.gz IHANOJFZNDSUBE-UHFFFAOYSA-N 1 0 467.662 3.795 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001313655848 1070847352 /nfs/dbraw/zinc/84/73/52/1070847352.db2.gz ADTSMCDVHJBQAL-RTBURBONSA-N 1 0 474.625 3.735 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001313655963 1070847641 /nfs/dbraw/zinc/84/76/41/1070847641.db2.gz BORHSQSMYRRWMJ-DFBJGRDBSA-N 1 0 492.615 3.578 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cnccn2)CC1 ZINC001313656027 1070848249 /nfs/dbraw/zinc/84/82/49/1070848249.db2.gz CVPVHIQPWWFDIH-UXHICEINSA-N 1 0 499.063 3.918 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1nncn1C ZINC001313656156 1070848657 /nfs/dbraw/zinc/84/86/57/1070848657.db2.gz FRYJJGKEAQMKDI-WSTZPKSXSA-N 1 0 470.597 3.758 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001313656199 1070848679 /nfs/dbraw/zinc/84/86/79/1070848679.db2.gz GQCTZLUFYQXBBL-FXAWDEMLSA-N 1 0 456.616 3.718 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1C[C@]1(O)CCSC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314694062 1070855270 /nfs/dbraw/zinc/85/52/70/1070855270.db2.gz LKLZXDNGLBNWJU-RUZDIDTESA-N 1 0 457.688 3.836 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001313656837 1070852103 /nfs/dbraw/zinc/85/21/03/1070852103.db2.gz GLYZSGNOQLOKTN-INIZCTEOSA-N 1 0 497.507 3.804 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001313657573 1070855647 /nfs/dbraw/zinc/85/56/47/1070855647.db2.gz SGBFGBGNSMNDAS-GOSISDBHSA-N 1 0 469.037 3.754 20 0 JHADRO CN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCCC1)C1CCCCC1 ZINC001314692857 1070853860 /nfs/dbraw/zinc/85/38/60/1070853860.db2.gz DGBMRBGRGZFYLO-OAQYLSRUSA-N 1 0 476.666 3.841 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313657204 1070854697 /nfs/dbraw/zinc/85/46/97/1070854697.db2.gz PJHRCAHGRMDLST-UXHICEINSA-N 1 0 464.614 3.921 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001313657778 1070857038 /nfs/dbraw/zinc/85/70/38/1070857038.db2.gz UXNIBXMOHNMFLD-UNMCSNQZSA-N 1 0 477.657 3.837 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001313657776 1070857199 /nfs/dbraw/zinc/85/71/99/1070857199.db2.gz UXNIBXMOHNMFLD-IRLDBZIGSA-N 1 0 477.657 3.837 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313657982 1070858016 /nfs/dbraw/zinc/85/80/16/1070858016.db2.gz ANOBDJKATLHRNE-FDFHNCONSA-N 1 0 481.689 3.713 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313658065 1070858239 /nfs/dbraw/zinc/85/82/39/1070858239.db2.gz WZTATUQDZNFXMO-UXHICEINSA-N 1 0 463.630 3.589 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001313658292 1070859015 /nfs/dbraw/zinc/85/90/15/1070859015.db2.gz CIPFAQWVKPDSPH-RBUKOAKNSA-N 1 0 455.582 3.596 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001313660233 1070864921 /nfs/dbraw/zinc/86/49/21/1070864921.db2.gz OYOOKZXHJHDWOH-PXNSSMCTSA-N 1 0 456.616 3.718 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313660259 1070865128 /nfs/dbraw/zinc/86/51/28/1070865128.db2.gz PFMBUUYONPSQMF-SPYBWZPUSA-N 1 0 469.508 3.560 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC001313660767 1070867076 /nfs/dbraw/zinc/86/70/76/1070867076.db2.gz VJTCNZXELYYSBW-OAQYLSRUSA-N 1 0 495.672 3.748 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001313661583 1070868267 /nfs/dbraw/zinc/86/82/67/1070868267.db2.gz YDWXJYNVSBQLNS-FPOVZHCZSA-N 1 0 484.670 3.627 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2F)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001313661446 1070868457 /nfs/dbraw/zinc/86/84/57/1070868457.db2.gz YNYYJVSQIKABHW-SFHVURJKSA-N 1 0 452.582 3.685 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001313662679 1070870736 /nfs/dbraw/zinc/87/07/36/1070870736.db2.gz WBWSVVGQUJPPGS-VQTJNVASSA-N 1 0 465.646 3.795 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H]1CCCO1 ZINC001313663225 1070871335 /nfs/dbraw/zinc/87/13/35/1070871335.db2.gz HOCWWBYJALDDFS-PZJWPPBQSA-N 1 0 478.682 3.738 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCSC1)c1ccccc1 ZINC001313663688 1070872862 /nfs/dbraw/zinc/87/28/62/1070872862.db2.gz GOHQVLPROFERML-LEWJYISDSA-N 1 0 479.654 3.950 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nccs1)c1ccccc1 ZINC001313663567 1070872877 /nfs/dbraw/zinc/87/28/77/1070872877.db2.gz GCJUCTLYVLGKRD-HXUWFJFHSA-N 1 0 467.643 3.690 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001313663822 1070872899 /nfs/dbraw/zinc/87/28/99/1070872899.db2.gz KSTXNEPDZYAMGZ-KNQAVFIVSA-N 1 0 486.636 3.571 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(Cc2cscn2)CC1)c1ccco1 ZINC001313663729 1070873457 /nfs/dbraw/zinc/87/34/57/1070873457.db2.gz HACZSEBZXMOZML-HXUWFJFHSA-N 1 0 457.648 3.856 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC001313663771 1070873696 /nfs/dbraw/zinc/87/36/96/1070873696.db2.gz HRYLXOBFBAWWFD-LADGPHEKSA-N 1 0 492.672 3.617 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)c1ccsc1 ZINC001313663931 1070875233 /nfs/dbraw/zinc/87/52/33/1070875233.db2.gz ISHGSBZZVJWRGT-PMACEKPBSA-N 1 0 471.627 3.802 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)nnc1C(C)(C)C ZINC001313664802 1070877509 /nfs/dbraw/zinc/87/75/09/1070877509.db2.gz AELRKLOOEWUIOY-OAQYLSRUSA-N 1 0 483.705 3.683 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313664961 1070878052 /nfs/dbraw/zinc/87/80/52/1070878052.db2.gz PEGYNIBYNPJKJY-QFQXNSOFSA-N 1 0 484.693 3.578 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001313665883 1070881303 /nfs/dbraw/zinc/88/13/03/1070881303.db2.gz DNHNCHKINHZKLK-FYQPLNBISA-N 1 0 464.655 3.694 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001313665043 1070878681 /nfs/dbraw/zinc/87/86/81/1070878681.db2.gz PMQXTSYADOUBOG-LJQANCHMSA-N 1 0 458.626 3.746 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1)c1ccccc1 ZINC001313665109 1070878748 /nfs/dbraw/zinc/87/87/48/1070878748.db2.gz OLVYRJRURBAYOC-TZIWHRDSSA-N 1 0 476.691 3.598 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cn(C)c3ccccc23)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314707563 1070878691 /nfs/dbraw/zinc/87/86/91/1070878691.db2.gz OOXSWASSFFFDLG-UHFFFAOYSA-N 1 0 479.673 3.910 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001313665435 1070879910 /nfs/dbraw/zinc/87/99/10/1070879910.db2.gz CHGBDZAVNHMWKQ-FXAWDEMLSA-N 1 0 474.606 3.761 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccccc2F)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001313666562 1070884550 /nfs/dbraw/zinc/88/45/50/1070884550.db2.gz HAVBWMMITNHMGM-FPOVZHCZSA-N 1 0 459.610 3.979 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1)c1ccco1 ZINC001313666864 1070886242 /nfs/dbraw/zinc/88/62/42/1070886242.db2.gz YFJPBIBSCOOHQQ-LEWJYISDSA-N 1 0 465.602 3.821 20 0 JHADRO CN(CC(C)(C)C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001314710310 1070888884 /nfs/dbraw/zinc/88/88/84/1070888884.db2.gz RNNHVNQMDHTGFQ-JOCHJYFZSA-N 1 0 475.641 3.972 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001313668355 1070891379 /nfs/dbraw/zinc/89/13/79/1070891379.db2.gz PQCMZNUXOBTUHR-UNMCSNQZSA-N 1 0 482.673 3.696 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001313668398 1070891946 /nfs/dbraw/zinc/89/19/46/1070891946.db2.gz QMBDMTRPONOJAK-RXVVDRJESA-N 1 0 498.093 3.644 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314711624 1070892738 /nfs/dbraw/zinc/89/27/38/1070892738.db2.gz JPCLFZQFPPVIAB-LEWJYISDSA-N 1 0 490.599 3.993 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001313668714 1070892904 /nfs/dbraw/zinc/89/29/04/1070892904.db2.gz SKXBMVYWKANRFH-FCHUYYIVSA-N 1 0 465.646 3.932 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOC2(CCC2)C1 ZINC001313669173 1070894301 /nfs/dbraw/zinc/89/43/01/1070894301.db2.gz SXPIVZQXHAZYFI-AQNXPRMDSA-N 1 0 476.666 3.538 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001313669715 1070895050 /nfs/dbraw/zinc/89/50/50/1070895050.db2.gz XWVGITWSLUAETH-QZTJIDSGSA-N 1 0 457.573 3.605 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001313670079 1070896603 /nfs/dbraw/zinc/89/66/03/1070896603.db2.gz YKIICZAMZCBBIM-SLYNCCJLSA-N 1 0 479.572 3.692 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001313670128 1070896765 /nfs/dbraw/zinc/89/67/65/1070896765.db2.gz ZFKJLEPOACQCMP-URXFXBBRSA-N 1 0 481.645 3.516 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001313670081 1070896939 /nfs/dbraw/zinc/89/69/39/1070896939.db2.gz YKIICZAMZCBBIM-YFVAEKQCSA-N 1 0 479.572 3.692 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccco1 ZINC001313670655 1070897310 /nfs/dbraw/zinc/89/73/10/1070897310.db2.gz BBIJBGGPZRDPHF-CTNGQTDRSA-N 1 0 456.635 3.915 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccco1 ZINC001313670658 1070897455 /nfs/dbraw/zinc/89/74/55/1070897455.db2.gz BBIJBGGPZRDPHF-TZIWHRDSSA-N 1 0 456.635 3.915 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001313670498 1070897547 /nfs/dbraw/zinc/89/75/47/1070897547.db2.gz ITVLLECHXKQJCP-SFHVURJKSA-N 1 0 484.670 3.833 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001313671207 1070898962 /nfs/dbraw/zinc/89/89/62/1070898962.db2.gz OTNLJJLYMCBBFK-IBGZPJMESA-N 1 0 467.593 3.576 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(F)(F)C1 ZINC001313667854 1070890442 /nfs/dbraw/zinc/89/04/42/1070890442.db2.gz LXKXDDKTZLBGPD-YESZJQIVSA-N 1 0 456.582 3.625 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001313671546 1070900258 /nfs/dbraw/zinc/90/02/58/1070900258.db2.gz RLSKQNKNVDDTBL-AVRDEDQJSA-N 1 0 470.691 3.786 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(CC(=O)NC)CC1)c1ccsc1 ZINC001313671618 1070901040 /nfs/dbraw/zinc/90/10/40/1070901040.db2.gz AUHDKLCCEJFSDL-QFIPXVFZSA-N 1 0 483.686 3.781 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313672839 1070904861 /nfs/dbraw/zinc/90/48/61/1070904861.db2.gz PQCPVAHHOFZLPQ-JOCHJYFZSA-N 1 0 479.629 3.629 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)NC)CC1)c1ccsc1 ZINC001313673083 1070905670 /nfs/dbraw/zinc/90/56/70/1070905670.db2.gz JCXXEAJLLNYOFV-JOCHJYFZSA-N 1 0 481.670 3.860 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cc(Br)c[nH]2)n1CC1CC[NH+](C2CC2)CC1 ZINC001314716708 1070906830 /nfs/dbraw/zinc/90/68/30/1070906830.db2.gz FWPHJFWBVWAQJR-UHFFFAOYSA-N 1 0 461.330 3.909 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccco1 ZINC001313673668 1070908393 /nfs/dbraw/zinc/90/83/93/1070908393.db2.gz KRXODEOXQGBNHE-ZCNNSNEGSA-N 1 0 458.607 3.566 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(CC(N)=O)CC1)c1ccccc1 ZINC001313675983 1070918981 /nfs/dbraw/zinc/91/89/81/1070918981.db2.gz XDJZUADYRVLQIM-HSZRJFAPSA-N 1 0 461.614 3.515 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccco1 ZINC001313674493 1070912057 /nfs/dbraw/zinc/91/20/57/1070912057.db2.gz KEONDLBBZKCMOJ-UNMCSNQZSA-N 1 0 480.613 3.509 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cccc3cccnc32)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314719622 1070912999 /nfs/dbraw/zinc/91/29/99/1070912999.db2.gz RUKIAOKTBWSRCA-SFHVURJKSA-N 1 0 462.520 3.729 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(F)F)C1)c1ccsc1 ZINC001313675443 1070916453 /nfs/dbraw/zinc/91/64/53/1070916453.db2.gz ZGSLNMSJNCNGKG-CGTJXYLNSA-N 1 0 466.602 3.855 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314720931 1070916593 /nfs/dbraw/zinc/91/65/93/1070916593.db2.gz HMVKHQJGOBRLIV-NRFANRHFSA-N 1 0 468.968 3.805 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1)c1ccsc1 ZINC001313676283 1070920605 /nfs/dbraw/zinc/92/06/05/1070920605.db2.gz ZECALNBZNJPKOG-HSZRJFAPSA-N 1 0 482.654 3.767 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC2CC2)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001313677125 1070924311 /nfs/dbraw/zinc/92/43/11/1070924311.db2.gz IBLXDNRLPZCPRD-OAQYLSRUSA-N 1 0 464.580 3.998 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1)c1ccsc1 ZINC001313678348 1070929209 /nfs/dbraw/zinc/92/92/09/1070929209.db2.gz NXMZFRZEIQYDBL-YADARESESA-N 1 0 460.692 3.974 20 0 JHADRO CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001313681048 1070940425 /nfs/dbraw/zinc/94/04/25/1070940425.db2.gz SISKRGRMSIWUBD-FQEVSTJZSA-N 1 0 463.586 3.617 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 ZINC001313681365 1070940596 /nfs/dbraw/zinc/94/05/96/1070940596.db2.gz VTLXXJQQRSKCEY-XMMPIXPASA-N 1 0 495.697 3.776 20 0 JHADRO CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001313683463 1070944255 /nfs/dbraw/zinc/94/42/55/1070944255.db2.gz CZOFGJKEDPDOGV-FQEVSTJZSA-N 1 0 469.659 3.696 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(C)=O)C1)c1ccsc1 ZINC001313681773 1070941952 /nfs/dbraw/zinc/94/19/52/1070941952.db2.gz ZRENHWHRSDAEIG-GOTSBHOMSA-N 1 0 481.670 3.513 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)NC)C1)c1ccco1 ZINC001313681753 1070942015 /nfs/dbraw/zinc/94/20/15/1070942015.db2.gz ZAIYWVIYVGACGB-GOTSBHOMSA-N 1 0 478.641 3.816 20 0 JHADRO CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001313686048 1070946949 /nfs/dbraw/zinc/94/69/49/1070946949.db2.gz CUKAMRJNPNRMCH-FQEVSTJZSA-N 1 0 465.646 3.889 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)c2ccc(F)cc2)CC1 ZINC001313691650 1070952192 /nfs/dbraw/zinc/95/21/92/1070952192.db2.gz SENQITZTLXDCQO-QFIPXVFZSA-N 1 0 495.603 3.763 20 0 JHADRO CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001313690082 1070949485 /nfs/dbraw/zinc/94/94/85/1070949485.db2.gz NDSUQFLBEMYBEP-HXUWFJFHSA-N 1 0 454.648 3.663 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCCCO2)n1CC1([NH+](C)C)CCOCC1 ZINC001314731515 1070950358 /nfs/dbraw/zinc/95/03/58/1070950358.db2.gz MBCLBOBDFVFHJF-KRWDZBQOSA-N 1 0 454.040 3.982 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314731567 1070950440 /nfs/dbraw/zinc/95/04/40/1070950440.db2.gz NXKAYWSOEKKAOF-YWZLYKJASA-N 1 0 456.081 3.961 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCCCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314731593 1070950486 /nfs/dbraw/zinc/95/04/86/1070950486.db2.gz OSOCOPRRHNWRTL-GOSISDBHSA-N 1 0 467.083 3.897 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC2(O)CCOCC2)CC1 ZINC001313691312 1070950817 /nfs/dbraw/zinc/95/08/17/1070950817.db2.gz IBALEEAKFCQHKN-FQEVSTJZSA-N 1 0 489.636 3.799 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001313691565 1070951436 /nfs/dbraw/zinc/95/14/36/1070951436.db2.gz POCOEWMXPWDCBI-LEWJYISDSA-N 1 0 468.646 3.624 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001313693008 1070954037 /nfs/dbraw/zinc/95/40/37/1070954037.db2.gz GAOIEDBOTMEMRI-UHFFFAOYSA-N 1 0 487.695 3.715 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2nccs2)CC1 ZINC001313693330 1070954088 /nfs/dbraw/zinc/95/40/88/1070954088.db2.gz CTZBMOBBSIZBBR-UHFFFAOYSA-N 1 0 470.643 3.972 20 0 JHADRO CN(Cc1ccc(F)c(Cl)c1)c1nnc(-c2cccn2C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314733464 1070955529 /nfs/dbraw/zinc/95/55/29/1070955529.db2.gz CCCUWTGJVDYVEB-LJQANCHMSA-N 1 0 475.012 3.949 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC001313695257 1070959455 /nfs/dbraw/zinc/95/94/55/1070959455.db2.gz KYUVIZLGOJMINW-UHFFFAOYSA-N 1 0 496.681 3.552 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccnc2OC)CC1 ZINC001313695681 1070960663 /nfs/dbraw/zinc/96/06/63/1070960663.db2.gz QLTAZYQMVHZKTG-UHFFFAOYSA-N 1 0 450.587 3.716 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@H]2COCCO2)CC1 ZINC001313696754 1070963872 /nfs/dbraw/zinc/96/38/72/1070963872.db2.gz HXARKFLPAFUWIG-QHCPKHFHSA-N 1 0 471.646 3.590 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001313697185 1070965164 /nfs/dbraw/zinc/96/51/64/1070965164.db2.gz LTCPUXKDRYIBDG-RUZDIDTESA-N 1 0 453.587 3.765 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnn(C)c3)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001313697230 1070965785 /nfs/dbraw/zinc/96/57/85/1070965785.db2.gz XCCQJHJYIZRRSB-UHFFFAOYSA-N 1 0 492.459 3.803 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2COCCO2)CC1 ZINC001313697390 1070966328 /nfs/dbraw/zinc/96/63/28/1070966328.db2.gz NZAAFGSIUXWERZ-XMMPIXPASA-N 1 0 485.673 3.881 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(CC2CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314737433 1070966430 /nfs/dbraw/zinc/96/64/30/1070966430.db2.gz MSNFSCTWQZMEOL-QJWGWKRISA-N 1 0 457.669 3.969 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314738548 1070969540 /nfs/dbraw/zinc/96/95/40/1070969540.db2.gz YJGSGHSZINCUSE-AMFYMDPBSA-N 1 0 487.695 3.910 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cc(C)on2)CC1 ZINC001313698107 1070969712 /nfs/dbraw/zinc/96/97/12/1070969712.db2.gz SBPFGEOKFSUTBP-UHFFFAOYSA-N 1 0 454.575 3.618 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001313699280 1070973229 /nfs/dbraw/zinc/97/32/29/1070973229.db2.gz WFPULXXXSQUIFD-LADGPHEKSA-N 1 0 466.674 3.604 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccoc2)CC1 ZINC001313699498 1070974095 /nfs/dbraw/zinc/97/40/95/1070974095.db2.gz KMLIJSBTGQWGTJ-UHFFFAOYSA-N 1 0 491.423 3.884 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CC(=O)N[C@H]4CCCC[C@H]43)nnc2C(C)(C)C)c1 ZINC001313701656 1070980607 /nfs/dbraw/zinc/98/06/07/1070980607.db2.gz BWUSODITTPEAAO-FCHUYYIVSA-N 1 0 452.647 3.713 20 0 JHADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(C2CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314740537 1070976725 /nfs/dbraw/zinc/97/67/25/1070976725.db2.gz WWVWDTSNMCRMIL-HXUWFJFHSA-N 1 0 459.641 3.560 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CC2CCC(C(F)(F)F)CC2)CC1 ZINC001313700545 1070977427 /nfs/dbraw/zinc/97/74/27/1070977427.db2.gz HGXHWTZUNQESBJ-UHFFFAOYSA-N 1 0 472.600 3.761 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCS(C)(=O)=O)C1 ZINC001313701889 1070982028 /nfs/dbraw/zinc/98/20/28/1070982028.db2.gz KZAONRLGBQHXFP-OALUTQOASA-N 1 0 493.743 3.734 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nccs2)C1 ZINC001313702846 1070985320 /nfs/dbraw/zinc/98/53/20/1070985320.db2.gz RFUVWKXWFDOKMU-QGZVFWFLSA-N 1 0 456.616 3.635 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNC(=O)C(C)C)C1 ZINC001313702935 1070985518 /nfs/dbraw/zinc/98/55/18/1070985518.db2.gz UACOYAWAGWICPD-SFHVURJKSA-N 1 0 491.478 3.648 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CCO[C@H]([C@@H]4CCCO4)C3)nnc2C(C)(C)C)c1 ZINC001313703677 1070987355 /nfs/dbraw/zinc/98/73/55/1070987355.db2.gz QDKKTFWVXPDCCX-GOTSBHOMSA-N 1 0 455.647 3.850 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)c2ccco2)C1 ZINC001313703538 1070986680 /nfs/dbraw/zinc/98/66/80/1070986680.db2.gz YGEHYAJLDWKIMX-KRWDZBQOSA-N 1 0 488.995 3.929 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001313703822 1070988516 /nfs/dbraw/zinc/98/85/16/1070988516.db2.gz GNWMIGVIFKOYBF-HXUWFJFHSA-N 1 0 472.037 3.695 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3C[C@@H](C)O[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001313704492 1070990526 /nfs/dbraw/zinc/99/05/26/1070990526.db2.gz XDXZHBODZZLRPN-UMTXDNHDSA-N 1 0 485.673 3.822 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313704885 1070991643 /nfs/dbraw/zinc/99/16/43/1070991643.db2.gz OMMUUKCVOKHHIE-QHCPKHFHSA-N 1 0 454.663 3.593 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C3CC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC001313704911 1070992434 /nfs/dbraw/zinc/99/24/34/1070992434.db2.gz NEQDODKHYNUGDF-UHFFFAOYSA-N 1 0 467.662 3.676 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(C(=O)OC)CC2)cc1 ZINC001313704897 1070992449 /nfs/dbraw/zinc/99/24/49/1070992449.db2.gz MXRJPHAFSPXUKZ-UHFFFAOYSA-N 1 0 462.598 3.620 20 0 JHADRO CN(Cc1ccccc1Br)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314746818 1070993211 /nfs/dbraw/zinc/99/32/11/1070993211.db2.gz RKQDEVAJVFKKQQ-ZWKOTPCHSA-N 1 0 487.402 3.524 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2scnc2C)cc1 ZINC001313705769 1070994410 /nfs/dbraw/zinc/99/44/10/1070994410.db2.gz UXGSKMAVXDZCQH-HXUWFJFHSA-N 1 0 467.643 3.521 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001313707525 1070998233 /nfs/dbraw/zinc/99/82/33/1070998233.db2.gz OFMHYQTWCVHVFM-KRWDZBQOSA-N 1 0 477.535 3.636 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccoc2)C1 ZINC001313707377 1070998253 /nfs/dbraw/zinc/99/82/53/1070998253.db2.gz LVRNMBMQULZIHL-FQEVSTJZSA-N 1 0 450.587 3.957 20 0 JHADRO CN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314747551 1070995635 /nfs/dbraw/zinc/99/56/35/1070995635.db2.gz GMQYWCRGHBVUKJ-FQEVSTJZSA-N 1 0 456.591 3.540 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001313706543 1070996437 /nfs/dbraw/zinc/99/64/37/1070996437.db2.gz BZBMOMFPKXDWLX-QGZVFWFLSA-N 1 0 477.535 3.934 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001313706290 1070996439 /nfs/dbraw/zinc/99/64/39/1070996439.db2.gz ZYHZITXQCWCACS-QHCPKHFHSA-N 1 0 480.682 3.783 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CCOCC2)C1 ZINC001313708279 1071000029 /nfs/dbraw/zinc/00/00/29/1071000029.db2.gz SEMHSEPZNCTQNH-PKTZIBPZSA-N 1 0 485.673 3.745 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)NC(C)(C)C)C1 ZINC001314749685 1071000037 /nfs/dbraw/zinc/00/00/37/1071000037.db2.gz RNOMREFPNPUMMC-QFIPXVFZSA-N 1 0 480.682 3.946 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001313708897 1071001181 /nfs/dbraw/zinc/00/11/81/1071001181.db2.gz CVVNTTANYHOGJN-JOCHJYFZSA-N 1 0 456.635 3.740 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](COC)C1 ZINC001313710069 1071003730 /nfs/dbraw/zinc/00/37/30/1071003730.db2.gz AFMKUCQZYVVLHC-QGZVFWFLSA-N 1 0 467.456 3.641 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2cccc(C)c2)C1 ZINC001313709179 1071001759 /nfs/dbraw/zinc/00/17/59/1071001759.db2.gz HRYFRAHNVSZGMD-VXKWHMMOSA-N 1 0 452.647 3.681 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001313709516 1071002331 /nfs/dbraw/zinc/00/23/31/1071002331.db2.gz MVTGNINNXSHCTR-JTHBVZDNSA-N 1 0 468.646 3.884 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOCC2(CCC2)C1 ZINC001313709654 1071003048 /nfs/dbraw/zinc/00/30/48/1071003048.db2.gz OZQQBBARTSGUBL-UHFFFAOYSA-N 1 0 468.646 3.886 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001313710965 1071005731 /nfs/dbraw/zinc/00/57/31/1071005731.db2.gz DOSABWCMJAHHDP-HXUWFJFHSA-N 1 0 488.702 3.965 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313712700 1071009210 /nfs/dbraw/zinc/00/92/10/1071009210.db2.gz VNQYWDSFVWOUIK-OXQOHEQNSA-N 1 0 485.551 3.850 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001313711518 1071006518 /nfs/dbraw/zinc/00/65/18/1071006518.db2.gz DWGIWEPHBIDOQQ-HOTGVXAUSA-N 1 0 486.480 3.741 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313712656 1071009421 /nfs/dbraw/zinc/00/94/21/1071009421.db2.gz RCVQQKOLTDPQHP-IQGLISFBSA-N 1 0 472.703 3.826 20 0 JHADRO CN(Cc1ccccn1)c1nnc(COc2ccccc2F)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314754362 1071007113 /nfs/dbraw/zinc/00/71/13/1071007113.db2.gz CETOPYUTPJEQCF-FQEVSTJZSA-N 1 0 450.518 3.924 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001313711948 1071007548 /nfs/dbraw/zinc/00/75/48/1071007548.db2.gz JRPXVUVRHLIAAJ-OAQYLSRUSA-N 1 0 472.703 3.890 20 0 JHADRO CN(Cc1ccccn1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001314754547 1071007646 /nfs/dbraw/zinc/00/76/46/1071007646.db2.gz GFFDUFKXUVHWDW-TYKWCNGQSA-N 1 0 483.661 3.955 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001313715468 1071014182 /nfs/dbraw/zinc/01/41/82/1071014182.db2.gz FADKGOAHIZBWEY-OFNKIYASSA-N 1 0 498.672 3.821 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccn2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001313714218 1071011623 /nfs/dbraw/zinc/01/16/23/1071011623.db2.gz HXZSVVYGWZQQIT-NRFANRHFSA-N 1 0 461.614 3.561 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 ZINC001313714752 1071013014 /nfs/dbraw/zinc/01/30/14/1071013014.db2.gz QGOAZUAQILMYCK-UHFFFAOYSA-N 1 0 451.619 3.767 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001313714780 1071013074 /nfs/dbraw/zinc/01/30/74/1071013074.db2.gz RDQYPNAWHGBPMR-LJQANCHMSA-N 1 0 454.623 3.906 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccccc2F)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001313716176 1071015554 /nfs/dbraw/zinc/01/55/54/1071015554.db2.gz HFFJPHWTMRTVAR-UHFFFAOYSA-N 1 0 470.637 3.721 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001313717376 1071016965 /nfs/dbraw/zinc/01/69/65/1071016965.db2.gz OVXICGWQGDJLGR-QFIPXVFZSA-N 1 0 451.619 3.985 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001313717582 1071017413 /nfs/dbraw/zinc/01/74/13/1071017413.db2.gz FNZAYEGKQGUISV-NRFANRHFSA-N 1 0 474.675 3.666 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001313718177 1071018124 /nfs/dbraw/zinc/01/81/24/1071018124.db2.gz NEOKARRGYBSKRN-VIZSFHNOSA-N 1 0 457.619 3.774 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)C)C1 ZINC001313718050 1071018377 /nfs/dbraw/zinc/01/83/77/1071018377.db2.gz VDYKHAGHVIVKGA-LEWJYISDSA-N 1 0 478.682 3.801 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)C)C1 ZINC001313718053 1071018494 /nfs/dbraw/zinc/01/84/94/1071018494.db2.gz VDYKHAGHVIVKGA-SFTDATJTSA-N 1 0 478.682 3.801 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001313718939 1071019471 /nfs/dbraw/zinc/01/94/71/1071019471.db2.gz HNQNDUJMVIDMIV-UTKZUKDTSA-N 1 0 493.027 3.615 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001313718925 1071019609 /nfs/dbraw/zinc/01/96/09/1071019609.db2.gz HFVPZEXRKNODSZ-GUDVDZBRSA-N 1 0 461.582 3.677 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314762307 1071019800 /nfs/dbraw/zinc/01/98/00/1071019800.db2.gz LPQBKJBUVPZATR-QAPCUYQASA-N 1 0 497.591 3.925 20 0 JHADRO CC[NH+](CC)CCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001313719046 1071019756 /nfs/dbraw/zinc/01/97/56/1071019756.db2.gz NDVSCJSIRXAHQT-UHFFFAOYSA-N 1 0 456.610 3.946 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(COC)CC1 ZINC001313719543 1071020764 /nfs/dbraw/zinc/02/07/64/1071020764.db2.gz RMVIIPUYGBCUIH-HXUWFJFHSA-N 1 0 456.635 3.740 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC001313720138 1071021132 /nfs/dbraw/zinc/02/11/32/1071021132.db2.gz UQXHQDKOXRUHNO-OALUTQOASA-N 1 0 473.691 3.925 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001313721898 1071025614 /nfs/dbraw/zinc/02/56/14/1071025614.db2.gz MNNZVRWIYCJQPY-QUCCMNQESA-N 1 0 453.591 3.760 20 0 JHADRO CC[NH+](CC)CCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001313720381 1071021795 /nfs/dbraw/zinc/02/17/95/1071021795.db2.gz JGPUDQUDWNIXIQ-NRFANRHFSA-N 1 0 468.646 3.757 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313721099 1071022478 /nfs/dbraw/zinc/02/24/78/1071022478.db2.gz FBMMCEFQPNLTOH-CQSZACIVSA-N 1 0 485.496 3.850 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001313721361 1071023779 /nfs/dbraw/zinc/02/37/79/1071023779.db2.gz ZDSIVWMPBFXQEB-APWZRJJASA-N 1 0 465.440 3.773 20 0 JHADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1Cl ZINC001309944008 1071024695 /nfs/dbraw/zinc/02/46/95/1071024695.db2.gz XRLWXEPKZCUWDN-QYZOEREBSA-N 1 0 462.999 3.706 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001313723764 1071029334 /nfs/dbraw/zinc/02/93/34/1071029334.db2.gz MNORWPDHRBKUFF-SOLBZPMBSA-N 1 0 498.441 3.817 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001313723878 1071029677 /nfs/dbraw/zinc/02/96/77/1071029677.db2.gz IYXGKMVVPPKSTL-AEFFLSMTSA-N 1 0 473.572 3.953 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC001313724251 1071029692 /nfs/dbraw/zinc/02/96/92/1071029692.db2.gz MVPJGVKDTPMNIM-NQIIRXRSSA-N 1 0 483.617 3.768 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313724198 1071030196 /nfs/dbraw/zinc/03/01/96/1071030196.db2.gz OSEKOLVUQUGSJD-UYAOXDASSA-N 1 0 474.625 3.842 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001313722496 1071026731 /nfs/dbraw/zinc/02/67/31/1071026731.db2.gz CTPGODLYYGLIQS-SJORKVTESA-N 1 0 489.466 3.884 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001313722423 1071026876 /nfs/dbraw/zinc/02/68/76/1071026876.db2.gz ZJOHYFMHLUMBTC-GOSISDBHSA-N 1 0 482.604 3.987 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001313722901 1071027902 /nfs/dbraw/zinc/02/79/02/1071027902.db2.gz HYGNXAJFSCUNCX-DBXWQHBBSA-N 1 0 472.703 3.967 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001313724876 1071031622 /nfs/dbraw/zinc/03/16/22/1071031622.db2.gz SQEBHQSMDKRFNB-UTKZUKDTSA-N 1 0 489.571 3.588 20 0 JHADRO CN(Cc1cscn1)c1nnc(-c2ccccc2Br)n1CC[NH+]1CCSCC1 ZINC001314770024 1071032375 /nfs/dbraw/zinc/03/23/75/1071032375.db2.gz ZVROXPIJKCJWGZ-UHFFFAOYSA-N 1 0 479.473 3.849 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(-c2cccn2C)n1CCCC[NH+]1CCOCC1 ZINC001314770352 1071033080 /nfs/dbraw/zinc/03/30/80/1071033080.db2.gz GBIAXHSXFPFLKU-UHFFFAOYSA-N 1 0 483.564 3.508 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001313726524 1071035161 /nfs/dbraw/zinc/03/51/61/1071035161.db2.gz MAZAUHVUMXCBSC-KJBBBAAKSA-N 1 0 471.646 3.619 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001313727229 1071036787 /nfs/dbraw/zinc/03/67/87/1071036787.db2.gz ZNQMATLKPWBAIA-NRFANRHFSA-N 1 0 474.600 3.939 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1CCCCC1 ZINC001314771450 1071036087 /nfs/dbraw/zinc/03/60/87/1071036087.db2.gz SVGOXNOVQFPZGO-UHFFFAOYSA-N 1 0 468.553 3.666 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313727187 1071036179 /nfs/dbraw/zinc/03/61/79/1071036179.db2.gz MDJHKQNMXYSFEK-QZTJIDSGSA-N 1 0 486.558 3.799 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001313724883 1071031514 /nfs/dbraw/zinc/03/15/14/1071031514.db2.gz SXFHCMGPLIUUEO-SJBKTWHCSA-N 1 0 490.718 3.941 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(c2nccs2)CC1 ZINC001313727407 1071037172 /nfs/dbraw/zinc/03/71/72/1071037172.db2.gz QZWSPOMKROHXFD-LJQANCHMSA-N 1 0 487.649 3.900 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC2CC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001313727541 1071037245 /nfs/dbraw/zinc/03/72/45/1071037245.db2.gz COQWAELFVWIQMG-GIVPXCGWSA-N 1 0 460.667 3.797 20 0 JHADRO CN(Cc1cscn1)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314771858 1071037627 /nfs/dbraw/zinc/03/76/27/1071037627.db2.gz RYTZIXKACFIWGV-IBGZPJMESA-N 1 0 491.459 3.647 20 0 JHADRO CC(=O)c1cccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001309987365 1071040277 /nfs/dbraw/zinc/04/02/77/1071040277.db2.gz SFSPTZUOYIPPGE-SZPZYZBQSA-N 1 0 456.587 3.969 20 0 JHADRO CN(Cc1nccs1)c1nnc(-c2cccc(Cl)c2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314773020 1071040658 /nfs/dbraw/zinc/04/06/58/1071040658.db2.gz KUJSIZQCKYTALA-IBGZPJMESA-N 1 0 461.035 3.928 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnccn2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313728979 1071041316 /nfs/dbraw/zinc/04/13/16/1071041316.db2.gz QXTIZUNVPCHCGW-RTWAWAEBSA-N 1 0 490.656 3.584 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccccn2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314773850 1071042945 /nfs/dbraw/zinc/04/29/45/1071042945.db2.gz LDDZGUQFWWAYKB-QGZVFWFLSA-N 1 0 457.007 3.728 20 0 JHADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C[C@H]1C ZINC001309994656 1071044275 /nfs/dbraw/zinc/04/42/75/1071044275.db2.gz DUBXQFATMDQKCN-AEFFLSMTSA-N 1 0 457.040 3.851 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001313730461 1071045108 /nfs/dbraw/zinc/04/51/08/1071045108.db2.gz YYRKKCPLTFSENB-SFHVURJKSA-N 1 0 495.093 3.612 20 0 JHADRO CN(Cc1ccon1)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314776227 1071048248 /nfs/dbraw/zinc/04/82/48/1071048248.db2.gz IIIKTALLSRRBOJ-HXUWFJFHSA-N 1 0 495.422 3.908 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001313731361 1071047004 /nfs/dbraw/zinc/04/70/04/1071047004.db2.gz SBIXXDXBYUBEOG-GOSISDBHSA-N 1 0 495.640 3.749 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314775851 1071047165 /nfs/dbraw/zinc/04/71/65/1071047165.db2.gz UUOZQTQMVPESBQ-MOPGFXCFSA-N 1 0 476.000 3.985 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314775852 1071047314 /nfs/dbraw/zinc/04/73/14/1071047314.db2.gz UUOZQTQMVPESBQ-OALUTQOASA-N 1 0 476.000 3.985 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001313731870 1071048749 /nfs/dbraw/zinc/04/87/49/1071048749.db2.gz WNPGZXVTFTYKOA-OALUTQOASA-N 1 0 495.640 3.605 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(Cl)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001314777801 1071051459 /nfs/dbraw/zinc/05/14/59/1071051459.db2.gz WPDSHJUAFVNBPG-UHFFFAOYSA-N 1 0 478.979 3.966 20 0 JHADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)cc2)cc1 ZINC001310004056 1071051868 /nfs/dbraw/zinc/05/18/68/1071051868.db2.gz GFXAIGBGQBUZDA-GOSISDBHSA-N 1 0 454.571 3.647 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(CCOc2ccccc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314782860 1071058500 /nfs/dbraw/zinc/05/85/00/1071058500.db2.gz RTAMBDHWJVZEES-JOCHJYFZSA-N 1 0 465.614 3.818 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(CCOc2ccccc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314782863 1071058520 /nfs/dbraw/zinc/05/85/20/1071058520.db2.gz RTAMBDHWJVZEES-QFIPXVFZSA-N 1 0 465.614 3.818 20 0 JHADRO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001310006631 1071054428 /nfs/dbraw/zinc/05/44/28/1071054428.db2.gz QXQOFQYWHFJMQH-UHFFFAOYSA-N 1 0 452.555 3.952 20 0 JHADRO CN(CC1CC(F)C1)c1nnc(-c2ccc(Cl)cc2F)n1CCC[NH+]1CCC(O)CC1 ZINC001314784960 1071061628 /nfs/dbraw/zinc/06/16/28/1071061628.db2.gz VTCOYBVNOWLQDG-UHFFFAOYSA-N 1 0 453.965 3.769 20 0 JHADRO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001310020658 1071065373 /nfs/dbraw/zinc/06/53/73/1071065373.db2.gz ZWKQWTFYODXPFW-QFIPXVFZSA-N 1 0 458.628 3.844 20 0 JHADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001310022518 1071067153 /nfs/dbraw/zinc/06/71/53/1071067153.db2.gz FBJOIBOXRLMGOO-WOJBJXKFSA-N 1 0 459.635 3.761 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313745227 1071072636 /nfs/dbraw/zinc/07/26/36/1071072636.db2.gz ADOSYOGTODWEKU-UHFFFAOYSA-N 1 0 466.605 3.665 20 0 JHADRO CN(CC1CCCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001314797065 1071074848 /nfs/dbraw/zinc/07/48/48/1071074848.db2.gz JIPDNOJYYATIOB-BGYRXZFFSA-N 1 0 478.707 3.724 20 0 JHADRO CNC(=O)Cc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC001310031007 1071073411 /nfs/dbraw/zinc/07/34/11/1071073411.db2.gz KRMFYHRITJOGAZ-IZZNHLLZSA-N 1 0 472.589 3.773 20 0 JHADRO CC(C)[NH+](CCCNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)C(C)C ZINC001310043309 1071080391 /nfs/dbraw/zinc/08/03/91/1071080391.db2.gz OYFYEPPPYONQBW-WOJBJXKFSA-N 1 0 452.665 3.984 20 0 JHADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)N(CC[NH+](C)C)C3CCCC3)cc2)C1 ZINC001310044080 1071080452 /nfs/dbraw/zinc/08/04/52/1071080452.db2.gz YNTLDUIUGBSJCT-RTBURBONSA-N 1 0 450.649 3.691 20 0 JHADRO CCN(Cc1cccs1)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001313749486 1071080146 /nfs/dbraw/zinc/08/01/46/1071080146.db2.gz SSZWJRBRAFDWSB-OAQYLSRUSA-N 1 0 476.444 3.862 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001313748578 1071078568 /nfs/dbraw/zinc/07/85/68/1071078568.db2.gz YYYUEXDMKLIIBK-FPOVZHCZSA-N 1 0 477.650 3.610 20 0 JHADRO CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001313749403 1071080277 /nfs/dbraw/zinc/08/02/77/1071080277.db2.gz GUVBHDWOAMUDBS-NHCUHLMSSA-N 1 0 468.627 3.629 20 0 JHADRO C[N@H+](Cc1ccccc1NC(=O)NCCCc1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC001310044452 1071081278 /nfs/dbraw/zinc/08/12/78/1071081278.db2.gz RUKFJCKLNPEMGI-UHFFFAOYSA-N 1 0 458.628 3.853 20 0 JHADRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 ZINC001310045299 1071081773 /nfs/dbraw/zinc/08/17/73/1071081773.db2.gz CYQMADDHQQMOHO-SLFFLAALSA-N 1 0 457.619 3.596 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001313751295 1071086406 /nfs/dbraw/zinc/08/64/06/1071086406.db2.gz JIOBOVXOAPXNMC-OAQYLSRUSA-N 1 0 467.618 3.597 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001313752866 1071089798 /nfs/dbraw/zinc/08/97/98/1071089798.db2.gz MAUBSHAEQIZSLT-PKTZIBPZSA-N 1 0 467.618 3.591 20 0 JHADRO CN(C(=O)Nc1cccc(CN2CCCC2=O)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001310059565 1071090586 /nfs/dbraw/zinc/09/05/86/1071090586.db2.gz CSSRKXQOAOMKEB-BJKOFHAPSA-N 1 0 455.647 3.610 20 0 JHADRO Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)ccc1N1CC[NH+](C)CC1 ZINC001310060719 1071091547 /nfs/dbraw/zinc/09/15/47/1071091547.db2.gz WQIXOBKGYQFASH-UQBPGWFLSA-N 1 0 457.619 3.658 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+](C)C1CCCC1 ZINC001313754246 1071092509 /nfs/dbraw/zinc/09/25/09/1071092509.db2.gz XCNPKDPKKWOTNB-UHFFFAOYSA-N 1 0 489.466 3.681 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(-c2ccccc2Br)n1CC1([NH+](C)C)CCOCC1 ZINC001314807808 1071097454 /nfs/dbraw/zinc/09/74/54/1071097454.db2.gz WOBDGPOOCCHIDV-SFHVURJKSA-N 1 0 492.462 3.681 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccccc2F)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001313756567 1071099852 /nfs/dbraw/zinc/09/98/52/1071099852.db2.gz XJLWCLCMFIWDFV-QHCPKHFHSA-N 1 0 453.610 3.888 20 0 JHADRO CCN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)[NH+](CC)CC ZINC001313757625 1071102438 /nfs/dbraw/zinc/10/24/38/1071102438.db2.gz XJQFFDPFQZJPNT-IRXDYDNUSA-N 1 0 473.647 3.639 20 0 JHADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC001310078859 1071103384 /nfs/dbraw/zinc/10/33/84/1071103384.db2.gz RFXMIMLYXXCPHF-UHFFFAOYSA-N 1 0 458.525 3.553 20 0 JHADRO CCN(CC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313758297 1071103979 /nfs/dbraw/zinc/10/39/79/1071103979.db2.gz GWFJXAATPSEBQD-UHFFFAOYSA-N 1 0 465.440 3.507 20 0 JHADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1Cc1ncnn1C(C)(C)C ZINC001314811516 1071105707 /nfs/dbraw/zinc/10/57/07/1071105707.db2.gz NEOCFGSMNMBGEG-OAQYLSRUSA-N 1 0 464.662 3.929 20 0 JHADRO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001310083523 1071107444 /nfs/dbraw/zinc/10/74/44/1071107444.db2.gz SAVVMWOGOCDWJN-HXUWFJFHSA-N 1 0 456.612 3.851 20 0 JHADRO CN(C[C@H]1CCOC1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314812463 1071108852 /nfs/dbraw/zinc/10/88/52/1071108852.db2.gz WYXJNCWRVVFYNG-BEFAXECRSA-N 1 0 493.475 3.883 20 0 JHADRO CN(C[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccco2)[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC001314812473 1071109862 /nfs/dbraw/zinc/10/98/62/1071109862.db2.gz WZHZXKLNPPKTLP-QKNQBKEWSA-N 1 0 488.633 3.719 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(C(C)(C)C)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001313770671 1071120218 /nfs/dbraw/zinc/12/02/18/1071120218.db2.gz HVMMIVIYFIPMBG-HSZRJFAPSA-N 1 0 455.647 3.586 20 0 JHADRO CN(C[C@H]1CCOC1)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314817072 1071124744 /nfs/dbraw/zinc/12/47/44/1071124744.db2.gz VRHYEJLCOOMHLJ-HIFRSBDPSA-N 1 0 454.438 3.582 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314818520 1071128618 /nfs/dbraw/zinc/12/86/18/1071128618.db2.gz FJLZKWGPAYHRIJ-NRFANRHFSA-N 1 0 456.566 3.551 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001313773976 1071128646 /nfs/dbraw/zinc/12/86/46/1071128646.db2.gz ZCUVMWBCYCDCAQ-FCHUYYIVSA-N 1 0 454.619 3.637 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001314819508 1071133020 /nfs/dbraw/zinc/13/30/20/1071133020.db2.gz CUPQZTVAZZYBJP-IBGZPJMESA-N 1 0 462.520 3.667 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001313778220 1071138584 /nfs/dbraw/zinc/13/85/84/1071138584.db2.gz GSBDTIACOVPSFF-LHCSWSIBSA-N 1 0 463.667 3.518 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(CCc2ccccc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313779320 1071141666 /nfs/dbraw/zinc/14/16/66/1071141666.db2.gz XPNPCGMJQWNGMA-AOHZBQACSA-N 1 0 469.674 3.956 20 0 JHADRO CN(CCC(F)(F)F)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCC1 ZINC001314823020 1071143605 /nfs/dbraw/zinc/14/36/05/1071143605.db2.gz ABPUOVFNJRPADX-INIZCTEOSA-N 1 0 460.545 3.835 20 0 JHADRO CN(CCC(F)(F)F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001314823522 1071144796 /nfs/dbraw/zinc/14/47/96/1071144796.db2.gz DWFYPUUNKJYYQL-OALUTQOASA-N 1 0 464.536 3.528 20 0 JHADRO CCOCCCNC(=O)c1cccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC001310140147 1071148696 /nfs/dbraw/zinc/14/86/96/1071148696.db2.gz QEUNZNUSBDLMSQ-UHFFFAOYSA-N 1 0 458.525 3.724 20 0 JHADRO CN(CCC(F)F)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314827066 1071151950 /nfs/dbraw/zinc/15/19/50/1071151950.db2.gz FNDCFXXPRBORPW-ZMPRRUGASA-N 1 0 488.649 3.578 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314826305 1071149938 /nfs/dbraw/zinc/14/99/38/1071149938.db2.gz WVYJUPWROTWTCU-SFHVURJKSA-N 1 0 491.562 3.701 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCCC2)C1)CC(F)(F)F ZINC001313784816 1071156038 /nfs/dbraw/zinc/15/60/38/1071156038.db2.gz HKHNMYVVXHUDSA-QHAWAJNXSA-N 1 0 486.627 3.962 20 0 JHADRO CN(CCc1ccc(Br)cc1)c1nnc(CC2CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001314828773 1071156805 /nfs/dbraw/zinc/15/68/05/1071156805.db2.gz IWZJJCZBXNRJPU-UHFFFAOYSA-N 1 0 476.463 3.783 20 0 JHADRO CN(CCC(F)F)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001314827401 1071152684 /nfs/dbraw/zinc/15/26/84/1071152684.db2.gz HYIXFZNIFFLBBM-KRWDZBQOSA-N 1 0 486.608 3.552 20 0 JHADRO CN(CCc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314832665 1071167789 /nfs/dbraw/zinc/16/77/89/1071167789.db2.gz GOAZRJYCNOKSBN-KSEOMHKRSA-N 1 0 475.703 3.784 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1)CC(F)(F)F ZINC001313788008 1071172166 /nfs/dbraw/zinc/17/21/66/1071172166.db2.gz YAJSUKHWPGPTJD-RTWAWAEBSA-N 1 0 493.622 3.706 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCC[C@H](C)C2)C1)CC(F)(F)F ZINC001313788006 1071172183 /nfs/dbraw/zinc/17/21/83/1071172183.db2.gz YAJSUKHWPGPTJD-LEWJYISDSA-N 1 0 493.622 3.706 20 0 JHADRO CN(CCc1nccs1)c1nnc(-c2cccnc2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314836309 1071177640 /nfs/dbraw/zinc/17/76/40/1071177640.db2.gz WADNAGBQISVALY-FQEVSTJZSA-N 1 0 451.575 3.918 20 0 JHADRO CN(CCC1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314837834 1071181308 /nfs/dbraw/zinc/18/13/08/1071181308.db2.gz KQUWPPNGJHZMDN-JOCHJYFZSA-N 1 0 495.603 3.620 20 0 JHADRO CCN(CCc1cccs1)c1nnc(-c2cnn(C)c2)n1CC1(SC)CC[NH+](C)CC1 ZINC001313792062 1071188159 /nfs/dbraw/zinc/18/81/59/1071188159.db2.gz GDJVBGOLLZPLJS-UHFFFAOYSA-N 1 0 459.689 3.637 20 0 JHADRO CCC(CC)[NH2+]CCNC(=O)Nc1cc(Br)ccc1I ZINC001310183577 1071190069 /nfs/dbraw/zinc/19/00/69/1071190069.db2.gz PCLPHIJOUMAZCT-UHFFFAOYSA-N 1 0 454.150 3.953 20 0 JHADRO CCC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CCO[C@H]3c3ccc(=O)[nH]c3)cc2Cl)CC1 ZINC001310192473 1071197397 /nfs/dbraw/zinc/19/73/97/1071197397.db2.gz VOYHCMYHRGMPKE-KNQAVFIVSA-N 1 0 459.978 3.624 20 0 JHADRO CCN(CCC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@@H+]1CC ZINC001313796075 1071195357 /nfs/dbraw/zinc/19/53/57/1071195357.db2.gz KYDJEPZHARKKNN-RTWAWAEBSA-N 1 0 476.666 3.697 20 0 JHADRO CCC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CC[C@]4(CO[C@H](C)C4)O3)cc2Cl)CC1 ZINC001310190742 1071195346 /nfs/dbraw/zinc/19/53/46/1071195346.db2.gz BSIOLEAJYAUMBF-FHJLPGHOSA-N 1 0 451.011 3.720 20 0 JHADRO Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c(OC[C@@H]2CCCO2)c1 ZINC001310190444 1071195421 /nfs/dbraw/zinc/19/54/21/1071195421.db2.gz ITZABWLFKINGNU-QHCPKHFHSA-N 1 0 453.583 3.831 20 0 JHADRO CN(CCCCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314844597 1071198210 /nfs/dbraw/zinc/19/82/10/1071198210.db2.gz FVDCMBYLOWYUDQ-DEOSSOPVSA-N 1 0 468.690 3.657 20 0 JHADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC001310194101 1071200246 /nfs/dbraw/zinc/20/02/46/1071200246.db2.gz CQTGZVDTWYAMLW-RDPSFJRHSA-N 1 0 459.974 3.656 20 0 JHADRO CC[N@H+](CCC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)CC1)CC1CC1 ZINC001313800737 1071204052 /nfs/dbraw/zinc/20/40/52/1071204052.db2.gz UXUJUCPLQVJDQB-QFIPXVFZSA-N 1 0 479.735 3.881 20 0 JHADRO CC[N@H+](CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOCC1)CCC(F)(F)F ZINC001313801472 1071205818 /nfs/dbraw/zinc/20/58/18/1071205818.db2.gz FWMMYZROQKJNBB-MRXNPFEDSA-N 1 0 459.488 3.668 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1[C@@H]1CCCO1)C(C)C ZINC001313802010 1071207414 /nfs/dbraw/zinc/20/74/14/1071207414.db2.gz BJKSXTYSEYYDNN-OALUTQOASA-N 1 0 465.440 3.914 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1)C(C)C ZINC001313803328 1071210465 /nfs/dbraw/zinc/21/04/65/1071210465.db2.gz OTICLKWGIJEBCU-CTNGQTDRSA-N 1 0 487.645 3.707 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC001313803499 1071211925 /nfs/dbraw/zinc/21/19/25/1071211925.db2.gz RHIIXGPWAWIQJH-ROUUACIJSA-N 1 0 457.619 3.938 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(COC)CC1)C(C)C ZINC001313803603 1071212098 /nfs/dbraw/zinc/21/20/98/1071212098.db2.gz SVWWWUCRSFTGEK-UHFFFAOYSA-N 1 0 451.619 3.928 20 0 JHADRO CN(CCCn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001314849884 1071213965 /nfs/dbraw/zinc/21/39/65/1071213965.db2.gz DXNIZKKSSAXLHL-VXKWHMMOSA-N 1 0 494.606 3.767 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(N(C)C(C)=O)CC1)C(C)C ZINC001313803925 1071212559 /nfs/dbraw/zinc/21/25/59/1071212559.db2.gz YOOBGLIEXCUPBD-UHFFFAOYSA-N 1 0 478.588 3.724 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)C(C)C ZINC001313803812 1071212641 /nfs/dbraw/zinc/21/26/41/1071212641.db2.gz WCACYKOYAVRTOP-GOSISDBHSA-N 1 0 468.568 3.757 20 0 JHADRO O=C(NCc1ccnc(N2CCSCC2)c1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001310217772 1071214281 /nfs/dbraw/zinc/21/42/81/1071214281.db2.gz LWJIZYJHCZTKFZ-UHFFFAOYSA-N 1 0 457.669 3.548 20 0 JHADRO CC[N@H+](CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H](C)C(=O)NC)C(C)C ZINC001313804621 1071215833 /nfs/dbraw/zinc/21/58/33/1071215833.db2.gz CRRNEMUSBNOLTC-ZWKOTPCHSA-N 1 0 460.692 3.680 20 0 JHADRO CC[N@H+](CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCNC(=O)CC1)C(C)C ZINC001313805458 1071219581 /nfs/dbraw/zinc/21/95/81/1071219581.db2.gz QHKPTVKLZMPKAW-UHFFFAOYSA-N 1 0 461.035 3.870 20 0 JHADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccco1)CCC(F)(F)F ZINC001313804861 1071217425 /nfs/dbraw/zinc/21/74/25/1071217425.db2.gz IYWBFNYQMINAFW-KRWDZBQOSA-N 1 0 468.524 3.723 20 0 JHADRO CC[N@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)C(C)C ZINC001313805547 1071220595 /nfs/dbraw/zinc/22/05/95/1071220595.db2.gz MFERZLQILXYRGH-WXVAWEFUSA-N 1 0 498.672 3.652 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc([C@H]2CCCOC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001314851296 1071221269 /nfs/dbraw/zinc/22/12/69/1071221269.db2.gz QEIDWSQOFKIEKB-FQEVSTJZSA-N 1 0 472.037 3.718 20 0 JHADRO CC[N@H+](CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)OC1CCCC1)C(C)C ZINC001313805820 1071221428 /nfs/dbraw/zinc/22/14/28/1071221428.db2.gz SUVGSDBCJWJLFA-UHFFFAOYSA-N 1 0 477.679 3.587 20 0 JHADRO CC[N@H+](CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(F)(F)CC1)C(C)C ZINC001313806185 1071223586 /nfs/dbraw/zinc/22/35/86/1071223586.db2.gz VYLUJHBXWNIURD-UHFFFAOYSA-N 1 0 483.633 3.512 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@@H](COC)C1)C(C)C ZINC001313806646 1071225286 /nfs/dbraw/zinc/22/52/86/1071225286.db2.gz WNZPGDCGVJSYDV-HZPDHXFCSA-N 1 0 486.480 3.740 20 0 JHADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(Br)cc1)C(C)C ZINC001313806747 1071225854 /nfs/dbraw/zinc/22/58/54/1071225854.db2.gz ZIKMRLVYZKMBCK-UHFFFAOYSA-N 1 0 477.451 3.643 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1)C(C)C ZINC001313806782 1071226055 /nfs/dbraw/zinc/22/60/55/1071226055.db2.gz YCTFXTRUMKKYBX-SANMLTNESA-N 1 0 454.663 3.935 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1)C(C)C ZINC001313807069 1071226990 /nfs/dbraw/zinc/22/69/90/1071226990.db2.gz BIAUZFBVMHDULG-UHFFFAOYSA-N 1 0 467.662 3.712 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2Cl)nnc1N1CCCN(C(=O)C(C)C)CC1)C1CC1 ZINC001313808040 1071231123 /nfs/dbraw/zinc/23/11/23/1071231123.db2.gz INVUOVYOYKNNDC-UHFFFAOYSA-N 1 0 459.038 3.778 20 0 JHADRO C[N@H+](CCCNC(=O)OC(C)(C)C)CCCn1c(CC(C)(C)C)nnc1N1CCOCC2(CC2)C1 ZINC001314853752 1071231088 /nfs/dbraw/zinc/23/10/88/1071231088.db2.gz CLPIEXDQDGSQPK-UHFFFAOYSA-N 1 0 492.709 3.720 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2Cl)nnc1N1CCC2(CNC(=O)C2)CC1)CCC(F)(F)F ZINC001313808253 1071232721 /nfs/dbraw/zinc/23/27/21/1071232721.db2.gz LUAIVFXRVRAQAN-UHFFFAOYSA-N 1 0 498.981 3.979 20 0 JHADRO CC[NH+](CC)CCOc1cc(NC(=O)N[C@@H]2CCOC3(CCSCC3)C2)ccc1OC ZINC001310245097 1071232878 /nfs/dbraw/zinc/23/28/78/1071232878.db2.gz GINABPZUBPJXAB-LJQANCHMSA-N 1 0 451.633 3.982 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1)C(C)C ZINC001313809559 1071237700 /nfs/dbraw/zinc/23/77/00/1071237700.db2.gz PIHRRPWUJJSSOL-HNNXBMFYSA-N 1 0 453.418 3.684 20 0 JHADRO CN(c1nnc(-c2cc(Br)cn2C)n1CC[N@H+](C)C1CCCCC1)[C@H]1CCOC1 ZINC001314858314 1071243601 /nfs/dbraw/zinc/24/36/01/1071243601.db2.gz BIQVFZCCHPIILI-SFHVURJKSA-N 1 0 465.440 3.536 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1nncn1C)CCC(F)(F)F ZINC001313811788 1071246726 /nfs/dbraw/zinc/24/67/26/1071246726.db2.gz HTYFMFSEMFZVSW-INIZCTEOSA-N 1 0 497.957 3.738 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)CCC(F)(F)F ZINC001313811147 1071244688 /nfs/dbraw/zinc/24/46/88/1071244688.db2.gz ZUGADKLHPCVVMY-IEBWSBKVSA-N 1 0 471.524 3.505 20 0 JHADRO CN(CCCS(C)(=O)=O)c1nnc(C2CCCC2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001314857770 1071241496 /nfs/dbraw/zinc/24/14/96/1071241496.db2.gz WNMSHRJCZUIBJX-PZJWPPBQSA-N 1 0 479.716 3.951 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(Nc2cccnn2)CC1)C(C)C ZINC001313811716 1071247097 /nfs/dbraw/zinc/24/70/97/1071247097.db2.gz DXDRDOUBJGQLER-UHFFFAOYSA-N 1 0 464.618 3.555 20 0 JHADRO C[N@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC001314859122 1071247169 /nfs/dbraw/zinc/24/71/69/1071247169.db2.gz ZHNGTIITIHVOBY-GOSISDBHSA-N 1 0 489.462 3.674 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2ccnn2C)C1)C(C)C ZINC001313811963 1071248517 /nfs/dbraw/zinc/24/85/17/1071248517.db2.gz NJLVPVHLHFBUJM-IBGZPJMESA-N 1 0 457.026 3.841 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1)C(C)C ZINC001313813231 1071253823 /nfs/dbraw/zinc/25/38/23/1071253823.db2.gz GMIOWQYOQMPBGM-DEOSSOPVSA-N 1 0 482.673 3.991 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCc2c(F)cc(F)cc2C1)CCC(F)(F)F ZINC001313813937 1071256166 /nfs/dbraw/zinc/25/61/66/1071256166.db2.gz IGPXLWXLOHATGJ-OAHLLOKOSA-N 1 0 473.490 3.897 20 0 JHADRO CCc1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1S(N)(=O)=O ZINC001310274428 1071258156 /nfs/dbraw/zinc/25/81/56/1071258156.db2.gz QIEFYGTWVZCEBM-LJQANCHMSA-N 1 0 450.992 3.508 20 0 JHADRO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC001310275630 1071258640 /nfs/dbraw/zinc/25/86/40/1071258640.db2.gz BHNRVLPZDQPLIY-JRFVFWCSSA-N 1 0 450.583 3.686 20 0 JHADRO C[N@H+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C)C1CCCC1 ZINC001314863141 1071258784 /nfs/dbraw/zinc/25/87/84/1071258784.db2.gz CPNCWOFJLZTESQ-HXUWFJFHSA-N 1 0 476.666 3.840 20 0 JHADRO C[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1)Cc1ccc(F)cc1 ZINC001314863067 1071258888 /nfs/dbraw/zinc/25/88/88/1071258888.db2.gz APARALXHZFZFFU-UHFFFAOYSA-N 1 0 458.626 3.620 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1)C(C)C ZINC001313814896 1071259029 /nfs/dbraw/zinc/25/90/29/1071259029.db2.gz QOQKJOHJNAEBDX-HSZRJFAPSA-N 1 0 457.667 3.632 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001314863511 1071260359 /nfs/dbraw/zinc/26/03/59/1071260359.db2.gz QQVYWHKTWQOXEE-OAQYLSRUSA-N 1 0 479.629 3.519 20 0 JHADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC001310283748 1071268666 /nfs/dbraw/zinc/26/86/66/1071268666.db2.gz OHHKPJZPHOYFFE-UHFFFAOYSA-N 1 0 450.580 3.625 20 0 JHADRO CN(CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001314865933 1071268728 /nfs/dbraw/zinc/26/87/28/1071268728.db2.gz NPYXHAODTXLYPU-YADHBBJMSA-N 1 0 494.606 3.767 20 0 JHADRO C[N@H+](CCn1c(C2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001314865893 1071267933 /nfs/dbraw/zinc/26/79/33/1071267933.db2.gz MUEAIHTUZGATSH-QHCPKHFHSA-N 1 0 498.672 3.798 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)C(C)C ZINC001313818184 1071267976 /nfs/dbraw/zinc/26/79/76/1071267976.db2.gz SEZLAFYZNVTICK-VDGAXYAQSA-N 1 0 483.535 3.677 20 0 JHADRO C[N@H+](CCn1c(C2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001314865892 1071267990 /nfs/dbraw/zinc/26/79/90/1071267990.db2.gz MUEAIHTUZGATSH-HSZRJFAPSA-N 1 0 498.672 3.798 20 0 JHADRO CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1)C1CC1 ZINC001313818397 1071268121 /nfs/dbraw/zinc/26/81/21/1071268121.db2.gz XRJXNUOFPIUAIJ-UHFFFAOYSA-N 1 0 472.653 3.821 20 0 JHADRO C[N@H+](CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(N)=O)C1)C1CCCCC1 ZINC001314866680 1071271863 /nfs/dbraw/zinc/27/18/63/1071271863.db2.gz MAJRUAGDNDUMNF-INIZCTEOSA-N 1 0 495.455 3.740 20 0 JHADRO 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CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1)C(C)C ZINC001313821322 1071281593 /nfs/dbraw/zinc/28/15/93/1071281593.db2.gz BAOBFJPOUQNCFJ-NRFANRHFSA-N 1 0 493.027 3.501 20 0 JHADRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC(Nc2cccc(C)c2)CC1)C(C)C ZINC001313821910 1071283921 /nfs/dbraw/zinc/28/39/21/1071283921.db2.gz IOABGTDRKGSWKW-UHFFFAOYSA-N 1 0 467.662 3.520 20 0 JHADRO CC[N@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(F)(F)F)CC1)C1CC1 ZINC001313821898 1071284009 /nfs/dbraw/zinc/28/40/09/1071284009.db2.gz IFPMYAGLCUAGKZ-UHFFFAOYSA-N 1 0 484.592 3.923 20 0 JHADRO CC[N@H+](CCn1c(N2Cc3ccccc3O[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001313822857 1071287607 /nfs/dbraw/zinc/28/76/07/1071287607.db2.gz WRARQLLDMSLCMK-RLWLMLJZSA-N 1 0 471.646 3.837 20 0 JHADRO CC[N@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]2CC[C@@H]21)CCC(F)(F)F ZINC001313822932 1071287662 /nfs/dbraw/zinc/28/76/62/1071287662.db2.gz UPFZQGFCNKUKAL-MOPGFXCFSA-N 1 0 453.557 3.793 20 0 JHADRO CN(CCN1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314872796 1071287968 /nfs/dbraw/zinc/28/79/68/1071287968.db2.gz OKMDBZKNZDDDAA-JOCHJYFZSA-N 1 0 460.711 3.678 20 0 JHADRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001313823381 1071288992 /nfs/dbraw/zinc/28/89/92/1071288992.db2.gz JNIXMHMTROIJQG-QFIPXVFZSA-N 1 0 489.686 3.622 20 0 JHADRO CCN(CCn1c([C@H]2CCCO2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)C(=O)OC(C)(C)C ZINC001313825096 1071292905 /nfs/dbraw/zinc/29/29/05/1071292905.db2.gz ALGAMUOYXYXGSI-PZJWPPBQSA-N 1 0 476.666 3.697 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314877016 1071294576 /nfs/dbraw/zinc/29/45/76/1071294576.db2.gz DOJNXKXYMIOJTL-HXUWFJFHSA-N 1 0 481.645 3.966 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccc(O)c2)CC1)C(C)C ZINC001313826966 1071297730 /nfs/dbraw/zinc/29/77/30/1071297730.db2.gz PSDXDAOORORZQR-DNQXCXABSA-N 1 0 484.689 3.959 20 0 JHADRO CC[N@H+](CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)C(C)C ZINC001313826954 1071297999 /nfs/dbraw/zinc/29/79/99/1071297999.db2.gz PMNIJYZFOFVSQH-WOJBJXKFSA-N 1 0 464.655 3.553 20 0 JHADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC001310316529 1071298498 /nfs/dbraw/zinc/29/84/98/1071298498.db2.gz JZINSWUYSDFONP-FQEVSTJZSA-N 1 0 459.388 3.937 20 0 JHADRO CCN1CC[NH+](CCCCNC(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001310316359 1071298611 /nfs/dbraw/zinc/29/86/11/1071298611.db2.gz OSUIMIHMFIZOTD-UHFFFAOYSA-N 1 0 459.635 3.519 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@H]1C)C1CC1 ZINC001313827454 1071299200 /nfs/dbraw/zinc/29/92/00/1071299200.db2.gz WUCUFRKCXBQSIU-MJGOQNOKSA-N 1 0 464.680 3.776 20 0 JHADRO CN(CCOc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001314879386 1071300498 /nfs/dbraw/zinc/30/04/98/1071300498.db2.gz KXTYOIGIOZFEKJ-UHFFFAOYSA-N 1 0 455.582 3.597 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314879528 1071301230 /nfs/dbraw/zinc/30/12/30/1071301230.db2.gz XFTHLRJYQKQCCM-JOCHJYFZSA-N 1 0 498.720 3.824 20 0 JHADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001310318974 1071301260 /nfs/dbraw/zinc/30/12/60/1071301260.db2.gz ASIODVARRJDZEP-AVRDEDQJSA-N 1 0 456.612 3.644 20 0 JHADRO CN(CCOc1cccc(Cl)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314881797 1071307186 /nfs/dbraw/zinc/30/71/86/1071307186.db2.gz GSWUGSXXLKXQCM-RTBURBONSA-N 1 0 489.045 3.762 20 0 JHADRO CC(C)[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001310321187 1071304315 /nfs/dbraw/zinc/30/43/15/1071304315.db2.gz OBFXRRDCCDGSJS-QHCPKHFHSA-N 1 0 456.612 3.502 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc(-c4ccccc4)n3CC[NH+](C(C)C)C(C)C)CCO2)cn1 ZINC001313835496 1071314209 /nfs/dbraw/zinc/31/42/09/1071314209.db2.gz PYCSIXZUUUAGPQ-HSZRJFAPSA-N 1 0 451.619 3.858 20 0 JHADRO 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Cn1cc(Br)cc1-c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCCCCO ZINC001314894570 1071326632 /nfs/dbraw/zinc/32/66/32/1071326632.db2.gz DDIGPWGKLIIUKY-UHFFFAOYSA-N 1 0 493.494 3.911 20 0 JHADRO COc1cc[nH+]c(N2CCN(C(=O)Nc3cccc(CN(C)C(=O)OC(C)(C)C)c3)CC2)c1 ZINC001310344521 1071327253 /nfs/dbraw/zinc/32/72/53/1071327253.db2.gz PXRMGKPOKOAARA-UHFFFAOYSA-N 1 0 455.559 3.811 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCCCC1 ZINC001314912282 1071352143 /nfs/dbraw/zinc/35/21/43/1071352143.db2.gz SGSZUKVSPZTWJO-UHFFFAOYSA-N 1 0 471.650 3.653 20 0 JHADRO CCn1cnnc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001313855193 1071354135 /nfs/dbraw/zinc/35/41/35/1071354135.db2.gz IFLIOIGRZWTKFJ-UHFFFAOYSA-N 1 0 493.443 3.602 20 0 JHADRO Cc1cc(NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)n(C2CC[NH+](C)CC2)n1 ZINC001310377700 1071351961 /nfs/dbraw/zinc/35/19/61/1071351961.db2.gz WIJTVXYJCUYCGC-QHCPKHFHSA-N 1 0 450.628 3.909 20 0 JHADRO 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CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCOc2ccc(Cl)cc2)C[C@@H]1C ZINC001313868148 1071402604 /nfs/dbraw/zinc/40/26/04/1071402604.db2.gz AUTYXNVFJYUMJK-OALUTQOASA-N 1 0 455.006 3.915 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCCOC)C[C@H]1C ZINC001313868635 1071405275 /nfs/dbraw/zinc/40/52/75/1071405275.db2.gz VNECOGHANQUKRR-RTWAWAEBSA-N 1 0 464.614 3.641 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313870083 1071411379 /nfs/dbraw/zinc/41/13/79/1071411379.db2.gz FKCNSJLTADQMSY-OALUTQOASA-N 1 0 479.595 3.923 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313869581 1071409268 /nfs/dbraw/zinc/40/92/68/1071409268.db2.gz QKSNWUMZMDAJHG-MSOLQXFVSA-N 1 0 484.670 3.813 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001314948064 1071409340 /nfs/dbraw/zinc/40/93/40/1071409340.db2.gz JTXVSINBBIZVCA-OALUTQOASA-N 1 0 495.697 3.927 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314948453 1071412193 /nfs/dbraw/zinc/41/21/93/1071412193.db2.gz NUPULCVKNFENEG-QGZVFWFLSA-N 1 0 491.478 3.648 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(C(=O)OC)CC2)C[C@H]1C ZINC001313870688 1071414899 /nfs/dbraw/zinc/41/48/99/1071414899.db2.gz FQEGXDPRLITCHG-QZTJIDSGSA-N 1 0 490.599 3.544 20 0 JHADRO COCCOc1c(Cl)cc(NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)cc1Cl ZINC001310475471 1071417715 /nfs/dbraw/zinc/41/77/15/1071417715.db2.gz NGYJUAPWPCKRLM-UHFFFAOYSA-N 1 0 455.342 3.776 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC001313871782 1071418363 /nfs/dbraw/zinc/41/83/63/1071418363.db2.gz HLYUFJTTZNKCJH-ROUUACIJSA-N 1 0 455.006 3.893 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[NH+]1CCSCC1 ZINC001314950808 1071418909 /nfs/dbraw/zinc/41/89/09/1071418909.db2.gz ZKDNLQLWXFPRSR-HNNXBMFYSA-N 1 0 493.102 3.680 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCCO2)C[C@H]1C ZINC001313871942 1071419126 /nfs/dbraw/zinc/41/91/26/1071419126.db2.gz VVGUAXBEJBVVHO-JFIYKMOQSA-N 1 0 478.435 3.814 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC001313871948 1071419271 /nfs/dbraw/zinc/41/92/71/1071419271.db2.gz VWURENBFKSKMDG-IRXDYDNUSA-N 1 0 468.005 3.919 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC001313872826 1071422895 /nfs/dbraw/zinc/42/28/95/1071422895.db2.gz XNRPVYRMVRHFPA-ROUUACIJSA-N 1 0 459.635 3.860 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313872614 1071421869 /nfs/dbraw/zinc/42/18/69/1071421869.db2.gz JOAYQQWGMKRLBA-MSOLQXFVSA-N 1 0 468.568 3.757 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313872615 1071422152 /nfs/dbraw/zinc/42/21/52/1071422152.db2.gz JOAYQQWGMKRLBA-QZTJIDSGSA-N 1 0 468.568 3.757 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)N2CCCCC2)C[C@@H]1C ZINC001313873282 1071424559 /nfs/dbraw/zinc/42/45/59/1071424559.db2.gz KWHQAQZJEOGUON-VQTJNVASSA-N 1 0 473.065 3.844 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001313874318 1071428071 /nfs/dbraw/zinc/42/80/71/1071428071.db2.gz NLHPNLGCZACCSM-ZWKOTPCHSA-N 1 0 461.054 3.604 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313875134 1071433060 /nfs/dbraw/zinc/43/30/60/1071433060.db2.gz LHIXSNJLRQQBMC-RTWAWAEBSA-N 1 0 464.614 3.845 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Br)cc3)nnc2N(C)CCOC)CC1 ZINC001313876929 1071440053 /nfs/dbraw/zinc/44/00/53/1071440053.db2.gz OKXVPFPOZFLIRN-UHFFFAOYSA-N 1 0 450.425 3.912 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001313875537 1071435314 /nfs/dbraw/zinc/43/53/14/1071435314.db2.gz MOQXLLBFRFRQFE-UXHICEINSA-N 1 0 480.661 3.877 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313876003 1071436558 /nfs/dbraw/zinc/43/65/58/1071436558.db2.gz NQQOZTBMXOZYCC-SFTDATJTSA-N 1 0 464.614 3.845 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001314966200 1071448987 /nfs/dbraw/zinc/44/89/87/1071448987.db2.gz OONRWZNKMWDSBF-BCHFMIIMSA-N 1 0 464.614 3.938 20 0 JHADRO CC[NH+]1CCC(CCn2c(C3CCC3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001313879568 1071450022 /nfs/dbraw/zinc/45/00/22/1071450022.db2.gz GBOKMGDXICYOPI-UHFFFAOYSA-N 1 0 459.660 3.708 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001313880057 1071451860 /nfs/dbraw/zinc/45/18/60/1071451860.db2.gz HIZXTLDFEVZVAV-GOSISDBHSA-N 1 0 459.038 3.778 20 0 JHADRO CC[NH+]1CCC(CCn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC001313880469 1071452492 /nfs/dbraw/zinc/45/24/92/1071452492.db2.gz VCZDHRICYXVGAU-UHFFFAOYSA-N 1 0 466.674 3.869 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3cc(C)ccc3C)nnc2N2CCC(CC(=O)NC)CC2)CC1 ZINC001313881180 1071454032 /nfs/dbraw/zinc/45/40/32/1071454032.db2.gz HCSDZSJCCWFALN-UHFFFAOYSA-N 1 0 496.700 3.948 20 0 JHADRO CC[NH+]1CCC(CCn2c(N(C)Cc3ccoc3C)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001313881001 1071454074 /nfs/dbraw/zinc/45/40/74/1071454074.db2.gz FIOMMAMNKPVTFF-RUZDIDTESA-N 1 0 459.635 3.979 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3Cl)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)CC1 ZINC001313881574 1071455317 /nfs/dbraw/zinc/45/53/17/1071455317.db2.gz SRFKTLUYDAKRMI-MSOLQXFVSA-N 1 0 482.094 3.978 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314970788 1071457597 /nfs/dbraw/zinc/45/75/97/1071457597.db2.gz LDZQAMNAEHCWGQ-KMRXNPHXSA-N 1 0 496.700 3.545 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(N(C)C(C)=O)CC2)C1 ZINC001313884067 1071463306 /nfs/dbraw/zinc/46/33/06/1071463306.db2.gz MKIOJHBKJNDKAX-UYAOXDASSA-N 1 0 489.064 3.860 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001313882469 1071458423 /nfs/dbraw/zinc/45/84/23/1071458423.db2.gz XOONKFSYWVODNB-QHCPKHFHSA-N 1 0 483.657 3.985 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313882534 1071459090 /nfs/dbraw/zinc/45/90/90/1071459090.db2.gz YITJJXVBOPABEU-ZIEJVCCYSA-N 1 0 490.693 3.784 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001314971732 1071459392 /nfs/dbraw/zinc/45/93/92/1071459392.db2.gz PEPRJWRMDHGOBH-YWEHKCAJSA-N 1 0 496.700 3.545 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 ZINC001313882994 1071460683 /nfs/dbraw/zinc/46/06/83/1071460683.db2.gz CIVRKPYLSXRJRD-CEXWTWQISA-N 1 0 476.021 3.803 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccncc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001313883323 1071461264 /nfs/dbraw/zinc/46/12/64/1071461264.db2.gz SDBXQJOXDJHUQT-HSZRJFAPSA-N 1 0 481.689 3.517 20 0 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CNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001315003887 1071530460 /nfs/dbraw/zinc/53/04/60/1071530460.db2.gz GDKKXGZEZRNNFQ-NRFANRHFSA-N 1 0 466.655 3.504 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001313909543 1071533087 /nfs/dbraw/zinc/53/30/87/1071533087.db2.gz QAVOZYVPCKECDE-RBBKRZOGSA-N 1 0 455.647 3.950 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001313909759 1071533303 /nfs/dbraw/zinc/53/33/03/1071533303.db2.gz CSHHDJYHAIZAQT-DXIQSLLYSA-N 1 0 473.584 3.924 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)CCCNC(=O)C1CCC1 ZINC001313910057 1071534024 /nfs/dbraw/zinc/53/40/24/1071534024.db2.gz UTBDXZZLSDPOBS-QFIPXVFZSA-N 1 0 452.647 3.871 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313911927 1071538264 /nfs/dbraw/zinc/53/82/64/1071538264.db2.gz FNHCPGYAHHUMCJ-ICSRJNTNSA-N 1 0 467.536 3.807 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313911997 1071538878 /nfs/dbraw/zinc/53/88/78/1071538878.db2.gz GPUDZHHBJLUJNE-OALUTQOASA-N 1 0 498.569 3.943 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001315020930 1071541647 /nfs/dbraw/zinc/54/16/47/1071541647.db2.gz FIDNFOQHFKMUOI-OAQYLSRUSA-N 1 0 479.673 3.766 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001313911139 1071536928 /nfs/dbraw/zinc/53/69/28/1071536928.db2.gz HZAMSLWLPROATK-JOCHJYFZSA-N 1 0 473.065 3.967 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](OC)C1 ZINC001313913753 1071544921 /nfs/dbraw/zinc/54/49/21/1071544921.db2.gz LSLWLIMLEIWQMA-PLACYPQZSA-N 1 0 476.666 3.538 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCCCCC2)CC1=O ZINC001313914505 1071547329 /nfs/dbraw/zinc/54/73/29/1071547329.db2.gz YVTUOOFRWNAVPR-UHFFFAOYSA-N 1 0 463.001 3.672 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001313915794 1071551426 /nfs/dbraw/zinc/55/14/26/1071551426.db2.gz SRWFVWIYFOOQGU-UXHICEINSA-N 1 0 487.670 3.843 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](COC)C1 ZINC001313916137 1071551947 /nfs/dbraw/zinc/55/19/47/1071551947.db2.gz WJVFVBQUDVIIFI-CZYKHXBRSA-N 1 0 490.693 3.786 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1=O ZINC001313916007 1071551968 /nfs/dbraw/zinc/55/19/68/1071551968.db2.gz QLGWGXSXBOUPKT-JOCHJYFZSA-N 1 0 452.647 3.680 20 0 JHADRO CCN1CCCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(C)(C)C[NH+](C)C)CC1=O ZINC001313917105 1071554180 /nfs/dbraw/zinc/55/41/80/1071554180.db2.gz SBBDGMUEZDZBEG-GOSISDBHSA-N 1 0 472.703 3.778 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315028199 1071555533 /nfs/dbraw/zinc/55/55/33/1071555533.db2.gz ANDCZXWJGXUSPZ-RTBURBONSA-N 1 0 452.603 3.774 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCCCCCC2)CC1 ZINC001313920533 1071559172 /nfs/dbraw/zinc/55/91/72/1071559172.db2.gz KEVDHCCLKATWSA-NRFANRHFSA-N 1 0 470.662 3.759 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccco2)CC1 ZINC001313920552 1071559242 /nfs/dbraw/zinc/55/92/42/1071559242.db2.gz KSEASMYSMDKVMH-SFHVURJKSA-N 1 0 487.446 3.963 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313920547 1071559601 /nfs/dbraw/zinc/55/96/01/1071559601.db2.gz KPIAOGOCKLMBKY-INIZCTEOSA-N 1 0 483.405 3.579 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313920474 1071558820 /nfs/dbraw/zinc/55/88/20/1071558820.db2.gz JFYVOXOKUCSETM-LJQANCHMSA-N 1 0 468.671 3.986 20 0 JHADRO CCN1CCCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001313921554 1071561961 /nfs/dbraw/zinc/56/19/61/1071561961.db2.gz OXCZKNXDQUVQNU-QHCPKHFHSA-N 1 0 482.673 3.736 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001315032940 1071563777 /nfs/dbraw/zinc/56/37/77/1071563777.db2.gz FDJPSJJFIPNWBA-QGZVFWFLSA-N 1 0 470.021 3.695 20 0 JHADRO CCN1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+](CC)CC)CC1=O ZINC001313922741 1071565763 /nfs/dbraw/zinc/56/57/63/1071565763.db2.gz VUNLHFSBNZUACK-OAQYLSRUSA-N 1 0 484.689 3.944 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001315035029 1071568086 /nfs/dbraw/zinc/56/80/86/1071568086.db2.gz RETACJLCESQPPD-FQEVSTJZSA-N 1 0 477.053 3.593 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001313924072 1071569079 /nfs/dbraw/zinc/56/90/79/1071569079.db2.gz YDTLWZSSYHHSLQ-NHCUHLMSSA-N 1 0 483.661 3.582 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313926185 1071575563 /nfs/dbraw/zinc/57/55/63/1071575563.db2.gz AZXHDZPBHZQLAF-PKTZIBPZSA-N 1 0 486.730 3.832 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313924829 1071572099 /nfs/dbraw/zinc/57/20/99/1071572099.db2.gz JLZTWHSPQOPTPZ-HXUWFJFHSA-N 1 0 470.662 3.615 20 0 JHADRO CNC(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001315043884 1071575678 /nfs/dbraw/zinc/57/56/78/1071575678.db2.gz NROKWOSCNQITSI-NHCUHLMSSA-N 1 0 486.636 3.642 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(Cc2cccnc2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001313925698 1071574001 /nfs/dbraw/zinc/57/40/01/1071574001.db2.gz BBKSHDFEHWJJFO-HXUWFJFHSA-N 1 0 483.611 3.595 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001313925413 1071574123 /nfs/dbraw/zinc/57/41/23/1071574123.db2.gz PZOMGTAVJGBGIO-NRFANRHFSA-N 1 0 479.673 3.771 20 0 JHADRO CNC(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001315042045 1071574161 /nfs/dbraw/zinc/57/41/61/1071574161.db2.gz CWRCSOWIXQMUMX-MSOLQXFVSA-N 1 0 475.037 3.518 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001313926302 1071576126 /nfs/dbraw/zinc/57/61/26/1071576126.db2.gz WZDWSTMOGCXTKI-PCCBWWKXSA-N 1 0 470.662 3.613 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313926667 1071577419 /nfs/dbraw/zinc/57/74/19/1071577419.db2.gz FDIOPZZZYZTKFY-OAQYLSRUSA-N 1 0 490.643 3.981 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313926666 1071577507 /nfs/dbraw/zinc/57/75/07/1071577507.db2.gz FDIOPZZZYZTKFY-NRFANRHFSA-N 1 0 490.643 3.981 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313926851 1071578204 /nfs/dbraw/zinc/57/82/04/1071578204.db2.gz GXYSRNWJXMOLMI-JOCHJYFZSA-N 1 0 468.690 3.724 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001313927219 1071579343 /nfs/dbraw/zinc/57/93/43/1071579343.db2.gz IQHVHLNHQXPJKB-QHCPKHFHSA-N 1 0 484.689 3.585 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313928040 1071582531 /nfs/dbraw/zinc/58/25/31/1071582531.db2.gz NCDYPFZUKPLGOB-FCHUYYIVSA-N 1 0 482.652 3.502 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCC2)CC1 ZINC001313928621 1071584414 /nfs/dbraw/zinc/58/44/14/1071584414.db2.gz UNKJJLHPGQEVFZ-YADHBBJMSA-N 1 0 489.709 3.757 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001315074661 1071586664 /nfs/dbraw/zinc/58/66/64/1071586664.db2.gz RKFGVOZSHIJWJF-SFHLNBCPSA-N 1 0 457.619 3.994 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313928639 1071584694 /nfs/dbraw/zinc/58/46/94/1071584694.db2.gz CBXBKGTTZOSEIY-WOJBJXKFSA-N 1 0 475.609 3.673 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313929004 1071585062 /nfs/dbraw/zinc/58/50/62/1071585062.db2.gz RCLRJQOEDRQXCR-GOSISDBHSA-N 1 0 478.657 3.505 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001313928919 1071585448 /nfs/dbraw/zinc/58/54/48/1071585448.db2.gz DSWJVMAPCWYBNH-AEFFLSMTSA-N 1 0 480.991 3.827 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)c2ccco2)C[C@H]1C ZINC001313929663 1071587506 /nfs/dbraw/zinc/58/75/06/1071587506.db2.gz ICSKWNJYXFVVLI-NXMSCROESA-N 1 0 457.550 3.588 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CSCCS2)C[C@H]1C ZINC001313930299 1071589517 /nfs/dbraw/zinc/58/95/17/1071589517.db2.gz BLCPTHKRVLVPPZ-CRAIPNDOSA-N 1 0 469.627 3.926 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313930762 1071590471 /nfs/dbraw/zinc/59/04/71/1071590471.db2.gz RKLYZGMLAYLFFK-SFHVURJKSA-N 1 0 461.054 3.870 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(COC)cc2)C[C@H]1C ZINC001313931528 1071592461 /nfs/dbraw/zinc/59/24/61/1071592461.db2.gz FCQMKBZUZZOUKF-QGZVFWFLSA-N 1 0 487.446 3.771 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2csc(C(C)C)n2)C[C@@H]1C ZINC001313931546 1071592662 /nfs/dbraw/zinc/59/26/62/1071592662.db2.gz FHAKINOCVKETTQ-YADARESESA-N 1 0 476.691 3.672 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313933111 1071597295 /nfs/dbraw/zinc/59/72/95/1071597295.db2.gz NGJAVKQGNSUEDF-LJQANCHMSA-N 1 0 459.038 3.922 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccccc2OC)C[C@@H]1C ZINC001313933620 1071598357 /nfs/dbraw/zinc/59/83/57/1071598357.db2.gz LULAQJCJYHIDCX-INIZCTEOSA-N 1 0 473.419 3.633 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2CC(C)(C)C2)C[C@H]1C ZINC001313933690 1071599195 /nfs/dbraw/zinc/59/91/95/1071599195.db2.gz MMFCCAMAQRBOHO-QGZVFWFLSA-N 1 0 457.619 3.938 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(F)cccc2Cl)C[C@H]1C ZINC001313933898 1071599858 /nfs/dbraw/zinc/59/98/58/1071599858.db2.gz OKKSKXGTNXLQDU-HXOBKFHXSA-N 1 0 466.001 3.690 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001313934097 1071600434 /nfs/dbraw/zinc/60/04/34/1071600434.db2.gz SEUMSVQMJNRNRG-MSOLQXFVSA-N 1 0 458.676 3.577 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)COC)C[C@H]1C ZINC001313934734 1071602993 /nfs/dbraw/zinc/60/29/93/1071602993.db2.gz VGNYRYOVGHXTQP-CQSZACIVSA-N 1 0 456.454 3.972 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](OC)C(C)(C)C)C[C@H]1C ZINC001313935435 1071604744 /nfs/dbraw/zinc/60/47/44/1071604744.db2.gz WIFOHOYYOLFEMH-QAPCUYQASA-N 1 0 467.456 3.638 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNC(=O)C(C)C)C[C@H]1C ZINC001313935144 1071604788 /nfs/dbraw/zinc/60/47/88/1071604788.db2.gz XNSFXLPZXGLTTG-LJQANCHMSA-N 1 0 472.703 3.968 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313935576 1071606040 /nfs/dbraw/zinc/60/60/40/1071606040.db2.gz IKRKEARMNGVHGC-QGZVFWFLSA-N 1 0 486.617 3.508 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313936458 1071608597 /nfs/dbraw/zinc/60/85/97/1071608597.db2.gz OFIWTGDCGISHCC-FHWLQOOXSA-N 1 0 457.619 3.696 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)C2CC2)C[C@H]1C ZINC001313936657 1071609099 /nfs/dbraw/zinc/60/90/99/1071609099.db2.gz HJOOMXFDFYSLTP-TZIWHRDSSA-N 1 0 490.693 3.943 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313939005 1071612679 /nfs/dbraw/zinc/61/26/79/1071612679.db2.gz ZQBSENKGRUYRBF-BHIFYINESA-N 1 0 490.693 3.882 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001313939586 1071613463 /nfs/dbraw/zinc/61/34/63/1071613463.db2.gz DKNDEKITTXUCAQ-INIZCTEOSA-N 1 0 450.509 3.807 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C ZINC001313939778 1071613974 /nfs/dbraw/zinc/61/39/74/1071613974.db2.gz GPCUJVPHQNNZAH-IBGZPJMESA-N 1 0 460.667 3.941 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC001313940345 1071614812 /nfs/dbraw/zinc/61/48/12/1071614812.db2.gz WCZGRACUBPUNFH-WOJBJXKFSA-N 1 0 469.634 3.518 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313940349 1071614912 /nfs/dbraw/zinc/61/49/12/1071614912.db2.gz WDLMGMYURSCRHG-OALUTQOASA-N 1 0 450.553 3.668 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCc3ccccc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001313940979 1071616248 /nfs/dbraw/zinc/61/62/48/1071616248.db2.gz RDRMNPRZJKBWCU-HXUWFJFHSA-N 1 0 478.607 3.868 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Oc2cccc(OC)c2)C[C@@H]1C ZINC001313941496 1071617515 /nfs/dbraw/zinc/61/75/15/1071617515.db2.gz VMQMPWOZSIHDTA-ROUUACIJSA-N 1 0 470.643 3.640 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC)c(OC(F)F)c2)C[C@H]1C ZINC001313941504 1071617529 /nfs/dbraw/zinc/61/75/29/1071617529.db2.gz VSNDLSNJAHHAOH-GOSISDBHSA-N 1 0 486.567 3.647 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccc(F)cc3)[NH+](C)C)CC2)C1=O ZINC001313941940 1071618197 /nfs/dbraw/zinc/61/81/97/1071618197.db2.gz BOIFXZNMXHSQSH-QFIPXVFZSA-N 1 0 485.652 3.744 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313942540 1071620252 /nfs/dbraw/zinc/62/02/52/1071620252.db2.gz JRBDLGHBZSMKTB-FQEVSTJZSA-N 1 0 486.661 3.999 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001313942352 1071620332 /nfs/dbraw/zinc/62/03/32/1071620332.db2.gz PQZFXRAEESVDQF-YLJYHZDGSA-N 1 0 477.535 3.629 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313945743 1071626727 /nfs/dbraw/zinc/62/67/27/1071626727.db2.gz KDOFVGLRDGWFNT-IBGZPJMESA-N 1 0 492.615 3.868 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313945527 1071626855 /nfs/dbraw/zinc/62/68/55/1071626855.db2.gz IRIILWIYMOSOFE-IBGZPJMESA-N 1 0 454.022 3.950 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCC=C(C)C)C2)CC1 ZINC001313945822 1071627379 /nfs/dbraw/zinc/62/73/79/1071627379.db2.gz URMGRQSGNAXZPL-IBGZPJMESA-N 1 0 476.467 3.608 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccccc2C(C)C)C[C@H]1C ZINC001313943782 1071623875 /nfs/dbraw/zinc/62/38/75/1071623875.db2.gz VYBNYUAJBUWCTH-JOCHJYFZSA-N 1 0 465.646 3.873 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCCCO)C2)CC1 ZINC001313944329 1071624959 /nfs/dbraw/zinc/62/49/59/1071624959.db2.gz AXIZBAKIGQUQCH-XMMPIXPASA-N 1 0 468.690 3.621 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)COc2ccccc2OC)C[C@@H]1C ZINC001313945109 1071625539 /nfs/dbraw/zinc/62/55/39/1071625539.db2.gz YINGCMYFBROZJU-CTNGQTDRSA-N 1 0 464.614 3.903 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CC[C@H](C)c3ccc(OC)cc3)C2)CC1 ZINC001313946405 1071628553 /nfs/dbraw/zinc/62/85/53/1071628553.db2.gz BQDMYGOVPRKJHF-UPVQGACJSA-N 1 0 468.690 3.895 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C[C@H]1C ZINC001313947064 1071630403 /nfs/dbraw/zinc/63/04/03/1071630403.db2.gz VHYHYAAKKDFCKM-IVAOSVALSA-N 1 0 474.694 3.900 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)c2ccccn2)C[C@@H]1C ZINC001313947130 1071630887 /nfs/dbraw/zinc/63/08/87/1071630887.db2.gz FSISTPUARPCIBX-IBGZPJMESA-N 1 0 452.578 3.899 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)N(C)c3ccccc3)C2)CC1 ZINC001313948486 1071634040 /nfs/dbraw/zinc/63/40/40/1071634040.db2.gz QVTICFGOPMLSEB-LADGPHEKSA-N 1 0 467.706 3.608 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccccc4OC)n3CCCC(F)(F)F)C2)CC1 ZINC001313949261 1071635879 /nfs/dbraw/zinc/63/58/79/1071635879.db2.gz XBZJCHOZTBISJS-SFHVURJKSA-N 1 0 466.552 3.512 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccccc4OC)n3CCCC(F)(F)F)C2)CC1 ZINC001313949259 1071635904 /nfs/dbraw/zinc/63/59/04/1071635904.db2.gz XBZJCHOZTBISJS-GOSISDBHSA-N 1 0 466.552 3.512 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313949735 1071637055 /nfs/dbraw/zinc/63/70/55/1071637055.db2.gz RAEPJABKUPNFTG-INIZCTEOSA-N 1 0 489.393 3.732 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313950380 1071638127 /nfs/dbraw/zinc/63/81/27/1071638127.db2.gz PAXYZYZGWUKHHM-CEXWTWQISA-N 1 0 492.510 3.792 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(COc4cc(C)ccc4C)n3CC(C)(C)SC)C2)CC1 ZINC001313950495 1071638917 /nfs/dbraw/zinc/63/89/17/1071638917.db2.gz UGVQFBLAKXHBSD-JOCHJYFZSA-N 1 0 486.730 3.832 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2CCc2nc(C)c(C)s2)C[C@H]1C ZINC001313951116 1071640466 /nfs/dbraw/zinc/64/04/66/1071640466.db2.gz ZJEIJRNAFAZHCV-MRXNPFEDSA-N 1 0 458.607 3.843 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)c2ccccc2)C[C@@H]1C ZINC001313951112 1071640560 /nfs/dbraw/zinc/64/05/60/1071640560.db2.gz ZHLBQBNASWIVMI-DVBNTOJCSA-N 1 0 498.672 3.788 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001313951355 1071641763 /nfs/dbraw/zinc/64/17/63/1071641763.db2.gz GVWREHITTBDKNR-XMSQKQJNSA-N 1 0 479.044 3.832 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313951639 1071643081 /nfs/dbraw/zinc/64/30/81/1071643081.db2.gz AMMNAKHUBLGKGI-VXKWHMMOSA-N 1 0 486.730 3.949 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313951637 1071643085 /nfs/dbraw/zinc/64/30/85/1071643085.db2.gz AMMNAKHUBLGKGI-FCHUYYIVSA-N 1 0 486.730 3.949 20 0 JHADRO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC001313952204 1071644285 /nfs/dbraw/zinc/64/42/85/1071644285.db2.gz YFBMCLUMKVJQBQ-JTHBVZDNSA-N 1 0 484.664 3.914 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313953020 1071647125 /nfs/dbraw/zinc/64/71/25/1071647125.db2.gz DMUCCGKSALJUTD-UYAOXDASSA-N 1 0 479.595 3.701 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccccc2SC)CC1 ZINC001313953312 1071648346 /nfs/dbraw/zinc/64/83/46/1071648346.db2.gz XLDGHYRATVPWHN-RBBKRZOGSA-N 1 0 472.703 3.762 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3Cl)nnc2N2CCSC[C@H]2C)CC1 ZINC001313953632 1071648899 /nfs/dbraw/zinc/64/88/99/1071648899.db2.gz JSAYRUJGSPSSBB-LJQANCHMSA-N 1 0 463.095 3.958 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001313953950 1071649032 /nfs/dbraw/zinc/64/90/32/1071649032.db2.gz KFHIEPGTFJLGPG-XMMPIXPASA-N 1 0 454.663 3.996 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCCC2(C)C)CC1 ZINC001313954052 1071650024 /nfs/dbraw/zinc/65/00/24/1071650024.db2.gz MLHMXZHLCUYMKO-UHFFFAOYSA-N 1 0 460.617 3.944 20 0 JHADRO CCN1CC[NH+](CCCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313953932 1071650035 /nfs/dbraw/zinc/65/00/35/1071650035.db2.gz LOHYJRFGVZHMFE-ZEQRLZLVSA-N 1 0 468.690 3.984 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001313953901 1071650039 /nfs/dbraw/zinc/65/00/39/1071650039.db2.gz KSULKIFSWVJWFS-XZOQPEGZSA-N 1 0 468.690 3.920 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC001313954134 1071650505 /nfs/dbraw/zinc/65/05/05/1071650505.db2.gz OBTQAUCXBWMOIU-WOJBJXKFSA-N 1 0 476.616 3.675 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001313956234 1071657342 /nfs/dbraw/zinc/65/73/42/1071657342.db2.gz XXWAMKUNPMBXIL-NFBKMPQASA-N 1 0 475.081 3.733 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313954754 1071652843 /nfs/dbraw/zinc/65/28/43/1071652843.db2.gz CIVMRNASBSYPQD-NRFANRHFSA-N 1 0 482.076 3.827 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3OC)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001313955648 1071656136 /nfs/dbraw/zinc/65/61/36/1071656136.db2.gz YBUORHQLZXBPAT-LEWJYISDSA-N 1 0 472.703 3.702 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCS[C@H](C)C2)CC1 ZINC001313955593 1071656180 /nfs/dbraw/zinc/65/61/80/1071656180.db2.gz SZUUGTCAZZDHAK-RTBURBONSA-N 1 0 463.095 3.814 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC2CCOCC2)CC1 ZINC001313958079 1071663044 /nfs/dbraw/zinc/66/30/44/1071663044.db2.gz PAASAFSRPIUYIU-UHFFFAOYSA-N 1 0 479.044 3.628 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001313957605 1071660680 /nfs/dbraw/zinc/66/06/80/1071660680.db2.gz QTYMAPOXWGOVGA-FKBYEOEOSA-N 1 0 456.654 3.764 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cc4ccccc4o3)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001313957497 1071660721 /nfs/dbraw/zinc/66/07/21/1071660721.db2.gz HNBQXEKZVUOKRJ-UHFFFAOYSA-N 1 0 468.646 3.970 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCC(F)(F)C2)CC1 ZINC001313957631 1071661329 /nfs/dbraw/zinc/66/13/29/1071661329.db2.gz RBAKKJOZZVYXAW-HXUWFJFHSA-N 1 0 476.616 3.593 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001313958124 1071662936 /nfs/dbraw/zinc/66/29/36/1071662936.db2.gz UJKFYMMGUXXZTH-VABKMULXSA-N 1 0 486.730 3.769 20 0 JHADRO CC[NH+]1CCN(CCCn2c(N3CCC(OCc4ccccc4F)CC3)nnc2C(C)(C)C)CC1 ZINC001313959220 1071666085 /nfs/dbraw/zinc/66/60/85/1071666085.db2.gz NDAGORCUXPCFGV-UHFFFAOYSA-N 1 0 486.680 3.928 20 0 JHADRO CCn1nc(-c2nnc(N(C)CC(C)(C)C)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313959385 1071666899 /nfs/dbraw/zinc/66/68/99/1071666899.db2.gz RHLVWERADNVSBC-UHFFFAOYSA-N 1 0 453.635 3.888 20 0 JHADRO CCn1nc(-c2nnc(N(C)CCC(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2c1=O ZINC001313959825 1071668028 /nfs/dbraw/zinc/66/80/28/1071668028.db2.gz AAXQFIWKVPEMDM-NRFANRHFSA-N 1 0 495.672 3.658 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(Cl)cc3Cl)nnc2Nc2ccn(C)n2)CC1 ZINC001313960244 1071669811 /nfs/dbraw/zinc/66/98/11/1071669811.db2.gz GJHYMFJTPXHAAT-UHFFFAOYSA-N 1 0 493.443 3.669 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313960379 1071669842 /nfs/dbraw/zinc/66/98/42/1071669842.db2.gz KFQYIJIQQMXQEV-SSGKUCQKSA-N 1 0 460.711 3.707 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001313960530 1071669965 /nfs/dbraw/zinc/66/99/65/1071669965.db2.gz KLYVRGDVCFNBNB-ISKFKSNPSA-N 1 0 484.689 3.678 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3cccnc3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313960798 1071671101 /nfs/dbraw/zinc/67/11/01/1071671101.db2.gz MQXMTRKIEGMZQD-HXUWFJFHSA-N 1 0 483.611 3.767 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001313966306 1071685699 /nfs/dbraw/zinc/68/56/99/1071685699.db2.gz ASSIPVBYCVQBKI-UHFFFAOYSA-N 1 0 482.673 3.818 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001313966309 1071685752 /nfs/dbraw/zinc/68/57/52/1071685752.db2.gz AUARCTGUOOASRS-UHFFFAOYSA-N 1 0 474.053 3.611 20 0 JHADRO CCn1nc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(C)(C)C(F)(F)F)c2ccccc2c1=O ZINC001313965281 1071683195 /nfs/dbraw/zinc/68/31/95/1071683195.db2.gz BSSRBOQLRYBGSU-UHFFFAOYSA-N 1 0 491.562 3.794 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313968111 1071691009 /nfs/dbraw/zinc/69/10/09/1071691009.db2.gz PPJGFPKJUCJMQV-SZPZYZBQSA-N 1 0 496.700 3.741 20 0 JHADRO CCNC(=O)C1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CCC1 ZINC001313975528 1071706008 /nfs/dbraw/zinc/70/60/08/1071706008.db2.gz RQKFBCGNLHIDRT-RTBURBONSA-N 1 0 489.064 3.908 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313976630 1071709071 /nfs/dbraw/zinc/70/90/71/1071709071.db2.gz GWAZOBCFNOYJBL-UHFFFAOYSA-N 1 0 472.703 3.962 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC001313985197 1071723136 /nfs/dbraw/zinc/72/31/36/1071723136.db2.gz NTBVYPDFDIUSCS-UHFFFAOYSA-N 1 0 452.647 3.729 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001313994595 1071730407 /nfs/dbraw/zinc/73/04/07/1071730407.db2.gz QQGYHUUYSSETRT-QHCPKHFHSA-N 1 0 481.689 3.727 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001314012575 1071748182 /nfs/dbraw/zinc/74/81/82/1071748182.db2.gz KRCSVGDGTRGZJN-IRLDBZIGSA-N 1 0 476.666 3.841 20 0 JHADRO CCOC(=O)N1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001314016460 1071760182 /nfs/dbraw/zinc/76/01/82/1071760182.db2.gz JOXUARYYXQHOSC-NRFANRHFSA-N 1 0 456.635 3.686 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001314019416 1071768310 /nfs/dbraw/zinc/76/83/10/1071768310.db2.gz LGNQXSOAUUJHSN-OAHLLOKOSA-N 1 0 499.479 3.778 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccccc2C[NH+](CC)CC)CC1 ZINC001314023102 1071778020 /nfs/dbraw/zinc/77/80/20/1071778020.db2.gz VFBUKWVQTJBIQH-UHFFFAOYSA-N 1 0 456.635 3.645 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccccc2F)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001314026587 1071789352 /nfs/dbraw/zinc/78/93/52/1071789352.db2.gz RUTGHFHHSAOURK-RBUKOAKNSA-N 1 0 460.598 3.775 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001314031710 1071806689 /nfs/dbraw/zinc/80/66/89/1071806689.db2.gz JUYPCOWNTFCCPJ-SFTDATJTSA-N 1 0 454.619 3.843 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001314033121 1071812279 /nfs/dbraw/zinc/81/22/79/1071812279.db2.gz PCWZZKRPHMTBJA-IRLDBZIGSA-N 1 0 484.645 3.789 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001314035734 1071824098 /nfs/dbraw/zinc/82/40/98/1071824098.db2.gz BBAZJWBJQOSDGL-PKTZIBPZSA-N 1 0 486.636 3.843 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001314035333 1071822259 /nfs/dbraw/zinc/82/22/59/1071822259.db2.gz XKIHNZMNTZWHTF-JRFVFWCSSA-N 1 0 498.672 3.654 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001314037085 1071829571 /nfs/dbraw/zinc/82/95/71/1071829571.db2.gz JVDZMSTULZPQJI-XZOQPEGZSA-N 1 0 486.636 3.987 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCC(C)CC2)C1 ZINC001314037797 1071831964 /nfs/dbraw/zinc/83/19/64/1071831964.db2.gz NPNJCBFEGSLRNF-IBGZPJMESA-N 1 0 490.599 3.594 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC[NH+]2CCCC2)C1 ZINC001314038340 1071834458 /nfs/dbraw/zinc/83/44/58/1071834458.db2.gz XIOAPINSTUSBEI-WOJBJXKFSA-N 1 0 488.608 3.758 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314038331 1071834550 /nfs/dbraw/zinc/83/45/50/1071834550.db2.gz XFBNZSHNRQBHCE-QUCCMNQESA-N 1 0 490.624 3.860 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001314038889 1071836302 /nfs/dbraw/zinc/83/63/02/1071836302.db2.gz LEABSADLWNOZPA-RTWAWAEBSA-N 1 0 469.634 3.628 20 0 JHADRO 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CCO[C@]1(c2nnc(N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)n2CCCC(F)(F)F)CCOC1 ZINC001314085733 1071955111 /nfs/dbraw/zinc/95/51/11/1071955111.db2.gz WRAKPTFLCIFRNN-NZQKXSOJSA-N 1 0 481.563 3.983 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC[NH+]2CCCCC2)CCOC1 ZINC001314087724 1071961275 /nfs/dbraw/zinc/96/12/75/1071961275.db2.gz ZIBMBSWSEWFHIR-HXUWFJFHSA-N 1 0 488.580 3.528 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC001314088065 1071962319 /nfs/dbraw/zinc/96/23/19/1071962319.db2.gz DDGDSSNKRHEMAZ-MHECFPHRSA-N 1 0 476.691 3.842 20 0 JHADRO CCO[C@]1(c2nnc(N(CC)[C@H](C)C3CCC3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001314091148 1071968036 /nfs/dbraw/zinc/96/80/36/1071968036.db2.gz DQKNYAMQPBZYMN-SBZFUYPRSA-N 1 0 477.694 3.833 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H](C)CC[C@@H]3C)n2Cc2ccccc2OCC[NH+](C)C)CCOC1 ZINC001314093599 1071971392 /nfs/dbraw/zinc/97/13/92/1071971392.db2.gz HIXSSHMNMOWJRU-ISJBWFOZSA-N 1 0 471.646 3.544 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CC(C)(C)c2cccs2)CCOC1 ZINC001314093906 1071971843 /nfs/dbraw/zinc/97/18/43/1071971843.db2.gz IAUBMOKNBLLSAF-KHCICDEESA-N 1 0 461.676 3.888 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@H](SC)C(C)(C)C)CCOC1 ZINC001314095353 1071974680 /nfs/dbraw/zinc/97/46/80/1071974680.db2.gz NMKDCWVWVMHRIT-QPXQOZNCSA-N 1 0 453.697 3.627 20 0 JHADRO CCO[C@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC2CC[NH+](CC)CC2)CCOC1 ZINC001314104087 1071991661 /nfs/dbraw/zinc/99/16/61/1071991661.db2.gz GULFVBIYPWNVNA-JOCHJYFZSA-N 1 0 471.568 3.751 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H](C)c2nccs2)CCOC1 ZINC001314109542 1072002889 /nfs/dbraw/zinc/00/28/89/1072002889.db2.gz CMGMCFMQBGQQOW-YADARESESA-N 1 0 476.691 3.747 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[C@H](c4ccc(F)cc4)C3)n2C[C@@H](C)[NH+](CC)CC)CCOC1 ZINC001314112931 1072008175 /nfs/dbraw/zinc/00/81/75/1072008175.db2.gz NHVJHDOYNFMZGF-FZOAFFARSA-N 1 0 459.610 3.794 20 0 JHADRO 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CCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001306180394 1068571335 /nfs/dbraw/zinc/57/13/35/1068571335.db2.gz KOZVTFLGXDTUPZ-NRFANRHFSA-N 1 0 464.580 3.826 20 0 JHADRO CCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001306180142 1068571357 /nfs/dbraw/zinc/57/13/57/1068571357.db2.gz HJJUOIZHEMYSHW-FQEVSTJZSA-N 1 0 480.579 3.761 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001306183592 1068573730 /nfs/dbraw/zinc/57/37/30/1068573730.db2.gz GDFVWUWTDSIKMP-LJQANCHMSA-N 1 0 474.600 3.736 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001306185894 1068576931 /nfs/dbraw/zinc/57/69/31/1068576931.db2.gz UIWKGZVMYIDCAW-LJQANCHMSA-N 1 0 459.038 3.577 20 0 JHADRO CCc1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001306194763 1068585558 /nfs/dbraw/zinc/58/55/58/1068585558.db2.gz SMLAJMNIOXCSSW-NRFANRHFSA-N 1 0 458.626 3.825 20 0 JHADRO CCc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001306195418 1068587117 /nfs/dbraw/zinc/58/71/17/1068587117.db2.gz PNGVYYCCBGYPTQ-SLFFLAALSA-N 1 0 490.643 3.890 20 0 JHADRO CCc1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001306197053 1068589376 /nfs/dbraw/zinc/58/93/76/1068589376.db2.gz AMGCADUDSQGXAE-UHFFFAOYSA-N 1 0 454.667 3.511 20 0 JHADRO CCc1nnc(N2CCN(c3nc(C)cs3)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001306197684 1068589990 /nfs/dbraw/zinc/58/99/90/1068589990.db2.gz BQTNQTQQZSGQOH-HXUWFJFHSA-N 1 0 453.660 3.843 20 0 JHADRO CCc1nnc(N2CCN(c3ccccc3Cl)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001306198853 1068591723 /nfs/dbraw/zinc/59/17/23/1068591723.db2.gz QOQKXJRJXRDJSO-RTBURBONSA-N 1 0 461.054 3.708 20 0 JHADRO CCc1nnc(N2CCN(Cc3ccccc3OC)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001306205092 1068594945 /nfs/dbraw/zinc/59/49/45/1068594945.db2.gz DCLVQOAHBVUKMF-QFIPXVFZSA-N 1 0 454.663 3.826 20 0 JHADRO CCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1Cc1cccnc1OCC(F)F ZINC001306205230 1068595586 /nfs/dbraw/zinc/59/55/86/1068595586.db2.gz HAQLWWQSUATLPW-GOSISDBHSA-N 1 0 456.541 3.638 20 0 JHADRO CCc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001306206835 1068598416 /nfs/dbraw/zinc/59/84/16/1068598416.db2.gz ORAROCZVDBEDPH-DNVJHFABSA-N 1 0 469.674 3.926 20 0 JHADRO CCc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001306207579 1068599123 /nfs/dbraw/zinc/59/91/23/1068599123.db2.gz WGUVXUAQNBTKGI-WIYYLYMNSA-N 1 0 464.580 3.750 20 0 JHADRO CCc1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001306210777 1068601271 /nfs/dbraw/zinc/60/12/71/1068601271.db2.gz XOCUHZHETHBFIL-UHFFFAOYSA-N 1 0 475.081 3.959 20 0 JHADRO CCc1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306227727 1068612476 /nfs/dbraw/zinc/61/24/76/1068612476.db2.gz MAAQJXOMKAIMQJ-FXELSEDVSA-N 1 0 474.694 3.900 20 0 JHADRO 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JHADRO CC[C@@H]1CCC[C@@H]1Cn1c(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001306315447 1068734722 /nfs/dbraw/zinc/73/47/22/1068734722.db2.gz POAZPIOPAIKTQN-JMJGKCIBSA-N 1 0 458.695 3.781 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001306316803 1068736789 /nfs/dbraw/zinc/73/67/89/1068736789.db2.gz GVAYAWHKYTYSBK-XLIONFOSSA-N 1 0 489.462 3.639 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001306317619 1068739276 /nfs/dbraw/zinc/73/92/76/1068739276.db2.gz LAAUNZKFXWKDNF-QZTJIDSGSA-N 1 0 461.561 3.671 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001306317934 1068739906 /nfs/dbraw/zinc/73/99/06/1068739906.db2.gz LVRJYJQQTMIADY-DEOSSOPVSA-N 1 0 495.672 3.517 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001306318293 1068741394 /nfs/dbraw/zinc/74/13/94/1068741394.db2.gz FQWPUUYRQLITBX-TZIWHRDSSA-N 1 0 463.630 3.576 20 0 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CC[C@H]1CCCC[N@@H+]1CCn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1C(C)(C)C ZINC001306323482 1068756722 /nfs/dbraw/zinc/75/67/22/1068756722.db2.gz LXGHRURCBGCICV-IBGZPJMESA-N 1 0 466.630 3.573 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306323961 1068757819 /nfs/dbraw/zinc/75/78/19/1068757819.db2.gz NKTGKRRGVXVLEH-CJRSTVEYSA-N 1 0 488.721 3.766 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001306324091 1068759284 /nfs/dbraw/zinc/75/92/84/1068759284.db2.gz NISPPYRDBNSRPZ-JOCHJYFZSA-N 1 0 470.637 3.577 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001306324568 1068759748 /nfs/dbraw/zinc/75/97/48/1068759748.db2.gz PELUKWXNEWMKOB-QTJGBDASSA-N 1 0 455.647 3.568 20 0 JHADRO CC[C@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCC[NH+](C)C)C1 ZINC001306334831 1068771553 /nfs/dbraw/zinc/77/15/53/1068771553.db2.gz CWYZBEFZXUTVNE-LEWJYISDSA-N 1 0 478.682 3.597 20 0 JHADRO CC[C@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@H+](C)CCOC)C1 ZINC001306335512 1068772840 /nfs/dbraw/zinc/77/28/40/1068772840.db2.gz HISXTDIIXIRDDQ-NRFANRHFSA-N 1 0 492.709 3.987 20 0 JHADRO CC[C@@H]1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001306337425 1068773842 /nfs/dbraw/zinc/77/38/42/1068773842.db2.gz QENSBJCZRXEHLQ-PWRODBHTSA-N 1 0 476.666 3.697 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001306345314 1068782171 /nfs/dbraw/zinc/78/21/71/1068782171.db2.gz IHCBHXAFACAMGB-MSOLQXFVSA-N 1 0 465.440 3.771 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001306346111 1068783161 /nfs/dbraw/zinc/78/31/61/1068783161.db2.gz LIYRCNQUTDWHEP-IRLDBZIGSA-N 1 0 459.660 3.848 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+](C)C1CCCCC1 ZINC001306349651 1068786391 /nfs/dbraw/zinc/78/63/91/1068786391.db2.gz YWTQWENRVAFQRB-OAQYLSRUSA-N 1 0 488.702 3.839 20 0 JHADRO 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CC[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCC[NH+]2CCCC2)CCO1 ZINC001306399056 1068852861 /nfs/dbraw/zinc/85/28/61/1068852861.db2.gz AIDANUZXEKZVFG-KRWDZBQOSA-N 1 0 466.399 3.948 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCO2)CC[N@@H+]1CCOC ZINC001306403926 1068867884 /nfs/dbraw/zinc/86/78/84/1068867884.db2.gz HHLWLFUDURMORB-WOJBJXKFSA-N 1 0 492.462 3.742 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H](C)O1 ZINC001306404636 1068870300 /nfs/dbraw/zinc/87/03/00/1068870300.db2.gz WXUXJWSULMNROD-SFHLNBCPSA-N 1 0 487.645 3.707 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](C)OC)CC[N@@H+]1CCOC ZINC001306405508 1068873095 /nfs/dbraw/zinc/87/30/95/1068873095.db2.gz DORUVWPYGOFIRJ-QUCCMNQESA-N 1 0 461.676 3.857 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(OC)c(F)c2)CC[N@@H+]1CCOC ZINC001306406275 1068876114 /nfs/dbraw/zinc/87/61/14/1068876114.db2.gz WRQFSUCUYGLKGB-HXUWFJFHSA-N 1 0 471.577 3.784 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(OC)c(F)c2)CC[N@@H+]1CCOC ZINC001306406274 1068876469 /nfs/dbraw/zinc/87/64/69/1068876469.db2.gz WRQFSUCUYGLKGB-FQEVSTJZSA-N 1 0 471.577 3.784 20 0 JHADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)O[C@H](CC)C1)[NH+]1CCOCC1 ZINC001306406503 1068877323 /nfs/dbraw/zinc/87/73/23/1068877323.db2.gz YMPVGNKNYVDQPS-FCEUIQTBSA-N 1 0 459.635 3.987 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)c2c(C)noc2C)CC[N@@H+]1CCOC ZINC001306407224 1068880837 /nfs/dbraw/zinc/88/08/37/1068880837.db2.gz ACNLYTGDERKOMG-OXJNMPFZSA-N 1 0 488.036 3.949 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001306407442 1068882294 /nfs/dbraw/zinc/88/22/94/1068882294.db2.gz ZFAJTJVARLNLCT-LEWJYISDSA-N 1 0 492.462 3.680 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCC[NH+](C)C)CCS1 ZINC001306407627 1068883290 /nfs/dbraw/zinc/88/32/90/1068883290.db2.gz BVDUXERBDYEZKY-QGZVFWFLSA-N 1 0 454.040 3.517 20 0 JHADRO 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CC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2cccc(C(F)F)c2)CC[N@@H+]1CCOC ZINC001306414508 1068902239 /nfs/dbraw/zinc/90/22/39/1068902239.db2.gz MSYQSINSKPCCGB-FQEVSTJZSA-N 1 0 458.557 3.817 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccnc3)n2CCCc2cccc(F)c2)CC[N@@H+]1CCOC ZINC001306414969 1068902805 /nfs/dbraw/zinc/90/28/05/1068902805.db2.gz AZAHNXOCRAFRFA-QHCPKHFHSA-N 1 0 452.578 3.659 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H](C)O1 ZINC001306416377 1068905291 /nfs/dbraw/zinc/90/52/91/1068905291.db2.gz RBHHTTYFKBZACS-QKNQBKEWSA-N 1 0 457.619 3.698 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccnc3)n2CCc2ccc(F)c(F)c2F)CC[N@@H+]1CCOC ZINC001306417522 1068907904 /nfs/dbraw/zinc/90/79/04/1068907904.db2.gz LYXYBMBWIFKJLX-IBGZPJMESA-N 1 0 474.531 3.547 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C[N@H+](C)C(C)C)C[C@@H](C)O1 ZINC001306419256 1068911266 /nfs/dbraw/zinc/91/12/66/1068911266.db2.gz CDLGVNLKWUBAQA-AUSIDOKSSA-N 1 0 451.619 3.571 20 0 JHADRO 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CC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC001306433295 1068934553 /nfs/dbraw/zinc/93/45/53/1068934553.db2.gz JWADRDATYAZEAE-GGAORHGYSA-N 1 0 454.663 3.693 20 0 JHADRO CC[C@H]1CN(c2nnc(CC(C)C)n2CCCC[NH+]2CCC(C)CC2)C[C@@H]1N1CCOCC1 ZINC001306437212 1068941120 /nfs/dbraw/zinc/94/11/20/1068941120.db2.gz DRNWVNKQFZKDHP-ZEQRLZLVSA-N 1 0 460.711 3.536 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@](C)(O)c2cccs2)CC[N@@H+]1CCOC ZINC001306437273 1068941189 /nfs/dbraw/zinc/94/11/89/1068941189.db2.gz GUOMIVZKQMCXRD-ATIYNZHBSA-N 1 0 483.682 3.694 20 0 JHADRO CCC(CC)[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CC)C1)[NH+](C)C ZINC001306439328 1068945260 /nfs/dbraw/zinc/94/52/60/1068945260.db2.gz XLBHTUMKYLKCLJ-ZRCGQRJVSA-N 1 0 457.619 3.772 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC2(O)CCCCCC2)CC[N@@H+]1CCOC ZINC001306440304 1068947260 /nfs/dbraw/zinc/94/72/60/1068947260.db2.gz SYBKXFNBSARNCM-XMMPIXPASA-N 1 0 469.674 3.810 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(F)(F)F)c2)CC[N@@H+]1CCOC ZINC001306443301 1068953452 /nfs/dbraw/zinc/95/34/52/1068953452.db2.gz SQSXZFWUNWKWTE-JOCHJYFZSA-N 1 0 488.558 3.878 20 0 JHADRO CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)C[NH+](C)C)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306443437 1068954198 /nfs/dbraw/zinc/95/41/98/1068954198.db2.gz TYOJCLIMUNCGHP-FCHUYYIVSA-N 1 0 499.704 3.981 20 0 JHADRO CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC001306445066 1068957772 /nfs/dbraw/zinc/95/77/72/1068957772.db2.gz ZERJLMCEELIAFP-HTAPYJJXSA-N 1 0 454.644 3.747 20 0 JHADRO CC[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H](C)O1 ZINC001306446438 1068959420 /nfs/dbraw/zinc/95/94/20/1068959420.db2.gz FKOQAMACCRBQSE-FGZHOGPDSA-N 1 0 485.673 3.793 20 0 JHADRO CC[C@@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@@H+]2CCCC[C@@H]2CC)CCO1 ZINC001306447944 1068962794 /nfs/dbraw/zinc/96/27/94/1068962794.db2.gz GRFUQHYZCBWNFY-XZOQPEGZSA-N 1 0 455.647 3.952 20 0 JHADRO CC[C@H]1CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001306448641 1068964879 /nfs/dbraw/zinc/96/48/79/1068964879.db2.gz LYEGVDARVCCTGU-QUCCMNQESA-N 1 0 450.027 3.817 20 0 JHADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@H](CC)C1)[NH+]1CCOCC1 ZINC001306449084 1068965560 /nfs/dbraw/zinc/96/55/60/1068965560.db2.gz MRHADMJPVMPKLJ-DHIUTWEWSA-N 1 0 489.734 3.609 20 0 JHADRO CC[C@@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001306450371 1068968609 /nfs/dbraw/zinc/96/86/09/1068968609.db2.gz MDPUOJUVTCGQNF-JOCHJYFZSA-N 1 0 455.647 3.952 20 0 JHADRO CC[C@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCS1 ZINC001306454075 1068975360 /nfs/dbraw/zinc/97/53/60/1068975360.db2.gz VNQLJWBRJBXGJN-ZEQRLZLVSA-N 1 0 487.714 3.761 20 0 JHADRO CC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(C)CCCO2)CC[N@@H+]1CCOC ZINC001306456447 1068981556 /nfs/dbraw/zinc/98/15/56/1068981556.db2.gz DZLNFVNWESQTOO-BWKNWUBXSA-N 1 0 473.687 3.995 20 0 JHADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001310498424 1068983424 /nfs/dbraw/zinc/98/34/24/1068983424.db2.gz VNERCFYJBKOPDU-NRFANRHFSA-N 1 0 453.587 3.669 20 0 JHADRO CC(C)CCNS(=O)(=O)c1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC001310504364 1068987632 /nfs/dbraw/zinc/98/76/32/1068987632.db2.gz JFCOEFZDVRNGEA-LJQANCHMSA-N 1 0 458.628 3.579 20 0 JHADRO CC(C)c1cc(Br)ccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001310507866 1068990329 /nfs/dbraw/zinc/99/03/29/1068990329.db2.gz VEYRWZAOLYYNFD-ALOPSCKCSA-N 1 0 451.409 3.778 20 0 JHADRO CC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)N2CC[NH+](CC)CC2)CCO1 ZINC001306458613 1068990845 /nfs/dbraw/zinc/99/08/45/1068990845.db2.gz ZBABDVZTRWCEDL-FCHUYYIVSA-N 1 0 472.703 3.520 20 0 JHADRO CC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(O)CCC2)CC[N@@H+]1CCOC ZINC001306459021 1068991908 /nfs/dbraw/zinc/99/19/08/1068991908.db2.gz WBARPMWDSJPBFE-GOSISDBHSA-N 1 0 498.455 3.626 20 0 JHADRO Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001310514844 1068995202 /nfs/dbraw/zinc/99/52/02/1068995202.db2.gz GVARFFYWGSNETK-KRWDZBQOSA-N 1 0 458.006 3.906 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H](C2CC2)[NH+](C)C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306461047 1068995591 /nfs/dbraw/zinc/99/55/91/1068995591.db2.gz FAQPEVSJOJQOJA-BVOGOJNSSA-N 1 0 476.666 3.599 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H]2CCO[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306461189 1068996165 /nfs/dbraw/zinc/99/61/65/1068996165.db2.gz FKZVKHMLOYRESL-KEJFTWOCSA-N 1 0 491.721 3.949 20 0 JHADRO CC/C=C\Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001306466260 1069004722 /nfs/dbraw/zinc/00/47/22/1069004722.db2.gz QQYGTDZONVSPJK-PAKAJVGYSA-N 1 0 451.619 3.840 20 0 JHADRO CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC001310564417 1069019790 /nfs/dbraw/zinc/01/97/90/1069019790.db2.gz SMEVGECZEZWIAE-NRFANRHFSA-N 1 0 455.603 3.910 20 0 JHADRO CC/C=C\Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001306486814 1069025734 /nfs/dbraw/zinc/02/57/34/1069025734.db2.gz RNSZTNYDDNJCLX-CLTKARDFSA-N 1 0 456.660 3.938 20 0 JHADRO CC(=O)OCCCc1cccc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC001310574936 1069026643 /nfs/dbraw/zinc/02/66/43/1069026643.db2.gz DQNIIRLPCXSWLG-GOSISDBHSA-N 1 0 456.562 3.956 20 0 JHADRO CC/C=C\Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001306489231 1069027813 /nfs/dbraw/zinc/02/78/13/1069027813.db2.gz MWKIVNOREOHXEX-IYZQMXKPSA-N 1 0 453.631 3.989 20 0 JHADRO CCCc1nc(C)c(NC(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)s1 ZINC001310577784 1069027738 /nfs/dbraw/zinc/02/77/38/1069027738.db2.gz GUOSLAAUUMUBHX-UHFFFAOYSA-N 1 0 457.644 3.897 20 0 JHADRO COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC001310591200 1069037215 /nfs/dbraw/zinc/03/72/15/1069037215.db2.gz ZYYSRWXZRNIREK-KRWDZBQOSA-N 1 0 453.452 3.891 20 0 JHADRO CCCC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC001306494952 1069038598 /nfs/dbraw/zinc/03/85/98/1069038598.db2.gz VMFRCTTZTRZRAC-UXHICEINSA-N 1 0 463.630 3.989 20 0 JHADRO CC[NH+]1CCN(c2cccc(NC(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)c2)CC1 ZINC001310597472 1069041064 /nfs/dbraw/zinc/04/10/64/1069041064.db2.gz RWRMCLYFNVGUPE-UHFFFAOYSA-N 1 0 457.569 3.893 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCC(C)CC2)C1 ZINC001306502071 1069067781 /nfs/dbraw/zinc/06/77/81/1069067781.db2.gz PTQMLRUMLUDSCF-HXUWFJFHSA-N 1 0 456.610 3.701 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306502938 1069071948 /nfs/dbraw/zinc/07/19/48/1069071948.db2.gz POKYKZSNJHSVOL-ZRBLBEILSA-N 1 0 474.694 3.917 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001306504090 1069075842 /nfs/dbraw/zinc/07/58/42/1069075842.db2.gz JFWSFTNROQPZFU-JOCHJYFZSA-N 1 0 482.673 3.843 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cn3ccc4ccccc43)n2CC[N@H+](C)C(C)C)C1 ZINC001306505831 1069084119 /nfs/dbraw/zinc/08/41/19/1069084119.db2.gz OYUQYYHELKCREG-JOCHJYFZSA-N 1 0 465.646 3.506 20 0 JHADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccnn1-c1ccc(Br)cn1 ZINC001310667539 1069097353 /nfs/dbraw/zinc/09/73/53/1069097353.db2.gz IAVGEJXGTIISOS-SFHVURJKSA-N 1 0 455.360 3.988 20 0 JHADRO CC(C)(C)OC(=O)CCc1cccc(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001310675723 1069103251 /nfs/dbraw/zinc/10/32/51/1069103251.db2.gz IVZJZCQRGVZUKA-AREMUKBSSA-N 1 0 453.583 3.719 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001306513464 1069112286 /nfs/dbraw/zinc/11/22/86/1069112286.db2.gz YETSIPDRUCGZRZ-UHFFFAOYSA-N 1 0 487.718 3.641 20 0 JHADRO CC[C@H](CNC(=O)Nc1cccc(C(=O)NC)c1Br)[N@@H+]1CCc2ccccc2C1 ZINC001310705534 1069122381 /nfs/dbraw/zinc/12/23/81/1069122381.db2.gz NEEPLJFGIJHYMG-QGZVFWFLSA-N 1 0 459.388 3.767 20 0 JHADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC001310720786 1069133030 /nfs/dbraw/zinc/13/30/30/1069133030.db2.gz MATQCBKDWFVNRX-UHFFFAOYSA-N 1 0 452.452 3.726 20 0 JHADRO Cc1c(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001310724806 1069136391 /nfs/dbraw/zinc/13/63/91/1069136391.db2.gz PSZJGLZWKGJLOZ-GOSISDBHSA-N 1 0 450.509 3.993 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306520758 1069142239 /nfs/dbraw/zinc/14/22/39/1069142239.db2.gz PDWPCZARSDWRMS-WWNPGLIZSA-N 1 0 481.689 3.902 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001306521290 1069143532 /nfs/dbraw/zinc/14/35/32/1069143532.db2.gz YFUDWDSOYUJLGT-JOCHJYFZSA-N 1 0 484.714 3.689 20 0 JHADRO Cc1nc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)sc1Cc1cccc(Cl)c1F ZINC001310740969 1069143993 /nfs/dbraw/zinc/14/39/93/1069143993.db2.gz AMYSVKSPDGIRTD-IAGOWNOFSA-N 1 0 452.983 3.898 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001306525742 1069153170 /nfs/dbraw/zinc/15/31/70/1069153170.db2.gz CRFLPQCYGGCXKK-OFNKIYASSA-N 1 0 492.462 3.560 20 0 JHADRO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1S(=O)(=O)C1CCCC1 ZINC001310771140 1069155862 /nfs/dbraw/zinc/15/58/62/1069155862.db2.gz VJHCXJGEXXVGQZ-UHFFFAOYSA-N 1 0 456.612 3.892 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001306527726 1069159702 /nfs/dbraw/zinc/15/97/02/1069159702.db2.gz MLOKPVCEDONOFB-BCHFMIIMSA-N 1 0 471.646 3.824 20 0 JHADRO Cc1cc(C)n2c(nnc2-c2c(Cl)cccc2NC(=O)NCc2cc(N(C)C)cc[nH+]2)n1 ZINC001310792709 1069165245 /nfs/dbraw/zinc/16/52/45/1069165245.db2.gz HFRWRSMMKABGAY-UHFFFAOYSA-N 1 0 450.934 3.844 20 0 JHADRO CCC[C@](C)(O)Cn1c(C2CCCC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001306536196 1069180454 /nfs/dbraw/zinc/18/04/54/1069180454.db2.gz MBTOZVUMVOGETE-SANMLTNESA-N 1 0 454.663 3.745 20 0 JHADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2cc(-c3ccc(I)cc3)[nH]n2)C1 ZINC001306539535 1069187282 /nfs/dbraw/zinc/18/72/82/1069187282.db2.gz QCBUGKWUIMEJPR-GOSISDBHSA-N 1 0 456.303 3.832 20 0 JHADRO Cc1cc(NC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)nn1-c1ccc(F)cc1F ZINC001310843252 1069189389 /nfs/dbraw/zinc/18/93/89/1069189389.db2.gz JUDPWSSHOLQBDU-UHFFFAOYSA-N 1 0 455.509 3.608 20 0 JHADRO CCC[C@@H](C)C(=O)NCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001306545438 1069200318 /nfs/dbraw/zinc/20/03/18/1069200318.db2.gz JKJPSUIZUDQKLU-HXUWFJFHSA-N 1 0 497.688 3.620 20 0 JHADRO CCC[NH+]1CCC(CNC(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)CC1 ZINC001310874838 1069202549 /nfs/dbraw/zinc/20/25/49/1069202549.db2.gz MUDHEHQOXLITAY-UHFFFAOYSA-N 1 0 457.388 3.668 20 0 JHADRO COc1ccc(NC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)cc1S(C)(=O)=O ZINC001310881038 1069207939 /nfs/dbraw/zinc/20/79/39/1069207939.db2.gz XPJKSWKJHKTDTP-UHFFFAOYSA-N 1 0 453.564 3.599 20 0 JHADRO COC(=O)[C@@H]1CCc2sc(NC(=O)NCC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)nc2C1 ZINC001310903311 1069216494 /nfs/dbraw/zinc/21/64/94/1069216494.db2.gz YDHRZMVYYQJRDX-YTQUADARSA-N 1 0 456.612 3.843 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001306554903 1069221583 /nfs/dbraw/zinc/22/15/83/1069221583.db2.gz DZOBDCWXUQSVFT-ACIOBRDBSA-N 1 0 482.673 3.699 20 0 JHADRO Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)nn1C ZINC001310942699 1069229781 /nfs/dbraw/zinc/22/97/81/1069229781.db2.gz OFTACNJCSJCLON-UHFFFAOYSA-N 1 0 458.607 3.657 20 0 JHADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC001310961176 1069234458 /nfs/dbraw/zinc/23/44/58/1069234458.db2.gz CFRYCRZFNVZPMC-INIZCTEOSA-N 1 0 458.550 3.797 20 0 JHADRO COCc1ccc(NC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1C(F)(F)F ZINC001310972379 1069236604 /nfs/dbraw/zinc/23/66/04/1069236604.db2.gz OLSGMCFLGIWNIG-UHFFFAOYSA-N 1 0 458.525 3.600 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001306575716 1069241711 /nfs/dbraw/zinc/24/17/11/1069241711.db2.gz WEUKWDZVFHUZTB-IBGZPJMESA-N 1 0 451.623 3.668 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1 ZINC001311034946 1069252416 /nfs/dbraw/zinc/25/24/16/1069252416.db2.gz ADNFXDMMKWMYHE-AZUAARDMSA-N 1 0 455.603 3.850 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001306586348 1069252842 /nfs/dbraw/zinc/25/28/42/1069252842.db2.gz QIYTVWOCZHJTMU-KEZOAJOQSA-N 1 0 488.721 3.958 20 0 JHADRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2cc(Cl)c(Br)cc2F)CC1 ZINC001311040907 1069255617 /nfs/dbraw/zinc/25/56/17/1069255617.db2.gz QBBPCGVZEMAGNM-UHFFFAOYSA-N 1 0 456.747 3.710 20 0 JHADRO O=C(Nc1cc(F)c(F)c(F)c1F)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001311117693 1069277842 /nfs/dbraw/zinc/27/78/42/1069277842.db2.gz XHJNYNZGRAJZRL-HNNXBMFYSA-N 1 0 451.468 3.704 20 0 JHADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC001311125131 1069279274 /nfs/dbraw/zinc/27/92/74/1069279274.db2.gz XPDIPSOOVZRGNU-FQEVSTJZSA-N 1 0 451.571 3.957 20 0 JHADRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC001311156805 1069286108 /nfs/dbraw/zinc/28/61/08/1069286108.db2.gz FZLDKFWTFAYYGO-OAHLLOKOSA-N 1 0 451.365 3.699 20 0 JHADRO CCC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC001306613625 1069292723 /nfs/dbraw/zinc/29/27/23/1069292723.db2.gz GFZDHOGARIYUJW-NRFANRHFSA-N 1 0 498.031 3.564 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001306614915 1069294758 /nfs/dbraw/zinc/29/47/58/1069294758.db2.gz CFYSBHCCAKAQQX-REWPJTCUSA-N 1 0 489.636 3.798 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCO1 ZINC001306615985 1069297073 /nfs/dbraw/zinc/29/70/73/1069297073.db2.gz DFPXYXZOJCQWMJ-HSZRJFAPSA-N 1 0 471.646 3.848 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001306618123 1069300229 /nfs/dbraw/zinc/30/02/29/1069300229.db2.gz CPXAGVLBBLRTPM-NRFANRHFSA-N 1 0 462.038 3.839 20 0 JHADRO CN(C)c1cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc(C(F)(F)F)c1 ZINC001311230239 1069302971 /nfs/dbraw/zinc/30/29/71/1069302971.db2.gz ZDDWXXLXDUSXCO-LAUBAEHRSA-N 1 0 450.505 3.776 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)C2CCCCC2)CCO1 ZINC001306619422 1069303880 /nfs/dbraw/zinc/30/38/80/1069303880.db2.gz XTLXYVKUIJKFKZ-QFIPXVFZSA-N 1 0 489.686 3.618 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cccn(CC)c2=O)CC[N@@H+]1CCOC ZINC001306620508 1069306311 /nfs/dbraw/zinc/30/63/11/1069306311.db2.gz PKFLRWKXKXDAQE-QHCPKHFHSA-N 1 0 499.059 3.766 20 0 JHADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@@H]4[C@@H](C3)OCC4(F)F)c21 ZINC001164426281 718927402 /nfs/dbraw/zinc/92/74/02/718927402.db2.gz ZCYTWPMTXYYWKN-QZTJIDSGSA-N 1 0 475.923 3.867 20 0 JHADRO Cc1nc2c(n1-c1nc(CN3CCCCC3)nc3sc4c(c31)CC[C@@H](C)C4)CC[NH2+]CC2 ZINC001164428040 718949425 /nfs/dbraw/zinc/94/94/25/718949425.db2.gz HVSJEQYYAYRFFG-MRXNPFEDSA-N 1 0 450.656 3.984 20 0 JHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164615198 719015677 /nfs/dbraw/zinc/01/56/77/719015677.db2.gz HKXMSNAYSNXSFQ-ULCPSODYSA-N 1 0 465.715 3.865 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)CC2)CC1 ZINC001164616984 719030111 /nfs/dbraw/zinc/03/01/11/719030111.db2.gz GVZULYCMJLABHR-UHFFFAOYSA-N 1 0 468.932 3.952 20 0 JHADRO CCOC(=O)c1sc2nc(C)nc(N3CCC([NH+]4CCC(C(=O)OCC)CC4)CC3)c2c1C ZINC001164616412 719031210 /nfs/dbraw/zinc/03/12/10/719031210.db2.gz BLPDOLKHFNPHDM-UHFFFAOYSA-N 1 0 474.627 3.729 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)CC2)CC1 ZINC001164617593 719032921 /nfs/dbraw/zinc/03/29/21/719032921.db2.gz MKXMHSADVQISJP-UHFFFAOYSA-N 1 0 479.959 3.981 20 0 JHADRO COCCOc1cc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2cc1OCCOC ZINC001164625162 719063113 /nfs/dbraw/zinc/06/31/13/719063113.db2.gz MWWASNUHSLCTJM-RDGATRHJSA-N 1 0 492.620 3.781 20 0 JHADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164620490 719064246 /nfs/dbraw/zinc/06/42/46/719064246.db2.gz FLOLQTDZSNSKPU-OALUTQOASA-N 1 0 463.960 3.612 20 0 JHADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164620492 719064353 /nfs/dbraw/zinc/06/43/53/719064353.db2.gz FLOLQTDZSNSKPU-RBUKOAKNSA-N 1 0 463.960 3.612 20 0 JHADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc21 ZINC001164622290 719094549 /nfs/dbraw/zinc/09/45/49/719094549.db2.gz BQHUOOLXWRICGR-UPVQGACJSA-N 1 0 473.602 3.769 20 0 JHADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCc3ccccc3)C[C@H]2CF)CC1 ZINC001164629309 719115643 /nfs/dbraw/zinc/11/56/43/719115643.db2.gz RWCNFMXNDSVWTB-GDBMZVCRSA-N 1 0 454.880 3.545 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](c3ccccc3)[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)nc1 ZINC001164631507 719144079 /nfs/dbraw/zinc/14/40/79/719144079.db2.gz NOVBRSNRGSYBHY-FVVBACEJSA-N 1 0 489.664 3.539 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](c3ccccc3)[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)nc1 ZINC001164631514 719144106 /nfs/dbraw/zinc/14/41/06/719144106.db2.gz NOVBRSNRGSYBHY-MIHVYDCKSA-N 1 0 489.664 3.539 20 0 JHADRO Cc1sc2nc(CN3CCCC3)nc(N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)c2c1C ZINC001164638952 719267253 /nfs/dbraw/zinc/26/72/53/719267253.db2.gz PZPNUFFHSMTHDM-UHFFFAOYSA-N 1 0 476.610 3.666 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN([C@@H](F)Oc3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164683116 719663908 /nfs/dbraw/zinc/66/39/08/719663908.db2.gz USOMXDPMTOQJMK-MHECFPHRSA-N 1 0 475.008 3.956 20 0 JHADRO CCOC(=O)c1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C)c1 ZINC001164685376 719663961 /nfs/dbraw/zinc/66/39/61/719663961.db2.gz ZUFQNHUYGKYVPT-OAQYLSRUSA-N 1 0 478.637 3.660 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc4ncccc4nc3Cl)CC2)c2ccccc21 ZINC001164687141 719668461 /nfs/dbraw/zinc/66/84/61/719668461.db2.gz ZPOLENPZTPNYHF-SFHVURJKSA-N 1 0 479.028 3.772 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN([C@H](F)Oc3ccc(Cl)nc3)CC2)c2ccccc21 ZINC001164680765 719669274 /nfs/dbraw/zinc/66/92/74/719669274.db2.gz HIWLLQPMVZRURZ-UUOWRZLLSA-N 1 0 475.008 3.956 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(OC(C)(C)C)n3)CC2)c2ccccc21 ZINC001164686279 719669477 /nfs/dbraw/zinc/66/94/77/719669477.db2.gz WXHSVSKVCLLNAR-FQEVSTJZSA-N 1 0 465.642 3.747 20 0 JHADRO Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C)c1Cl ZINC001164680778 719671942 /nfs/dbraw/zinc/67/19/42/719671942.db2.gz HOMMBMNKSQUYBL-IBGZPJMESA-N 1 0 456.034 3.840 20 0 JHADRO Cc1noc(-c2ccc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc2)n1 ZINC001164686820 719678809 /nfs/dbraw/zinc/67/88/09/719678809.db2.gz XDVIFLAJHQAZJZ-NRFANRHFSA-N 1 0 474.609 3.533 20 0 JHADRO CC(C)COc1cncc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681489 719678842 /nfs/dbraw/zinc/67/88/42/719678842.db2.gz LTXPZUHMPDJTLM-OAQYLSRUSA-N 1 0 465.642 3.605 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(-c4ccncc4)nn3)CC2)c2ccccc21 ZINC001164681564 719679264 /nfs/dbraw/zinc/67/92/64/719679264.db2.gz MVBCPZQONXDLMP-QFIPXVFZSA-N 1 0 470.621 3.632 20 0 JHADRO CCSc1cncc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680085 719679283 /nfs/dbraw/zinc/67/92/83/719679283.db2.gz BRACHUOXJJATFG-IBGZPJMESA-N 1 0 453.656 3.682 20 0 JHADRO COC(=O)c1cc(Cl)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C ZINC001164685440 719681738 /nfs/dbraw/zinc/68/17/38/719681738.db2.gz JZAOYNYDDLYHCS-LJQANCHMSA-N 1 0 499.055 3.923 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)CC2 ZINC001164690292 719738653 /nfs/dbraw/zinc/73/86/53/719738653.db2.gz YTGWAJPRYUVFFA-UHFFFAOYSA-N 1 0 451.521 3.756 20 0 JHADRO CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164695916 719789233 /nfs/dbraw/zinc/78/92/33/719789233.db2.gz OXFOZCTVXQLZGD-UHFFFAOYSA-N 1 0 465.932 3.688 20 0 JHADRO COC(=O)c1nc(Cl)c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c(Cl)n1 ZINC001164702576 719816539 /nfs/dbraw/zinc/81/65/39/719816539.db2.gz SANQNRYDKRDWCC-UHFFFAOYSA-N 1 0 456.399 3.970 20 0 JHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694632 719890747 /nfs/dbraw/zinc/89/07/47/719890747.db2.gz BIRZJBAGRTUERQ-UHFFFAOYSA-N 1 0 471.957 3.999 20 0 JHADRO COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)n1 ZINC001164694657 719891595 /nfs/dbraw/zinc/89/15/95/719891595.db2.gz BVMSIYSEWBYCPL-UHFFFAOYSA-N 1 0 471.957 3.999 20 0 JHADRO CC[C@@H]1C(=O)Nc2cnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2N1C1CCCC1 ZINC001164697742 719892402 /nfs/dbraw/zinc/89/24/02/719892402.db2.gz PBKTXHFIGURWBV-JOCHJYFZSA-N 1 0 496.681 3.889 20 0 JHADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164712519 720093376 /nfs/dbraw/zinc/09/33/76/720093376.db2.gz WPLQOEFJPXMXKE-FQEVSTJZSA-N 1 0 458.990 3.814 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164712114 720097391 /nfs/dbraw/zinc/09/73/91/720097391.db2.gz VONCDRIFMCUPLO-HSZRJFAPSA-N 1 0 463.626 3.610 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164809167 720103216 /nfs/dbraw/zinc/10/32/16/720103216.db2.gz HLCJNQRFSMDYPG-KOSHJBKYSA-N 1 0 456.612 3.567 20 0 JHADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164814387 720108768 /nfs/dbraw/zinc/10/87/68/720108768.db2.gz SDVYZXXEGLBDCD-BXKMTCNYSA-N 1 0 458.990 3.645 20 0 JHADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c2c1C ZINC001164818714 720164123 /nfs/dbraw/zinc/16/41/23/720164123.db2.gz UGODTIPKJCUBJZ-KOSHJBKYSA-N 1 0 458.628 3.670 20 0 JHADRO Cc1nc(-c2ccccc2Cl)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1C ZINC001164715033 720200485 /nfs/dbraw/zinc/20/04/85/720200485.db2.gz INUYCVICXFUPSX-QFIPXVFZSA-N 1 0 482.032 3.759 20 0 JHADRO Cn1nnc2c1CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713927 720200521 /nfs/dbraw/zinc/20/05/21/720200521.db2.gz FHRDIIIVKLAOCV-HXUWFJFHSA-N 1 0 476.959 3.778 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CCC2 ZINC001164814057 720220341 /nfs/dbraw/zinc/22/03/41/720220341.db2.gz RVNDUFUNTLPNIA-UHFFFAOYSA-N 1 0 462.932 3.635 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3[nH]c4ccc(Cl)cc4c31)CCC2 ZINC001164813906 720234205 /nfs/dbraw/zinc/23/42/05/720234205.db2.gz RMLGVPGZNKOAIU-UHFFFAOYSA-N 1 0 451.962 3.572 20 0 JHADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164813806 720237240 /nfs/dbraw/zinc/23/72/40/720237240.db2.gz PJCBLNAWEQZFKS-UHFFFAOYSA-N 1 0 485.636 3.904 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3nc(-c4cccs4)no3)ccn1)CCC2 ZINC001164812760 720242342 /nfs/dbraw/zinc/24/23/42/720242342.db2.gz HZBXSUVJESXGJM-UHFFFAOYSA-N 1 0 477.594 3.667 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001164833407 720322383 /nfs/dbraw/zinc/32/23/83/720322383.db2.gz WVRCXLXBLGVTEJ-BJKOFHAPSA-N 1 0 476.600 3.530 20 0 JHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828727 720338617 /nfs/dbraw/zinc/33/86/17/720338617.db2.gz POADPQAMRKOJFJ-YNJKOYDBSA-N 1 0 476.669 3.920 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c(-c4ccccc4)nsc32)CC1 ZINC001164830754 720339904 /nfs/dbraw/zinc/33/99/04/720339904.db2.gz WWLZEDNCKFWZDM-UXHICEINSA-N 1 0 462.623 3.665 20 0 JHADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)o2)cc1 ZINC001164830190 720341143 /nfs/dbraw/zinc/34/11/43/720341143.db2.gz VNPBWRQYUYGNHI-NHCUHLMSSA-N 1 0 460.582 3.505 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc(Cl)c2c1 ZINC001164827986 720342559 /nfs/dbraw/zinc/34/25/59/720342559.db2.gz NPSSCHCGNFVTFJ-WOJBJXKFSA-N 1 0 493.986 3.748 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)CC1 ZINC001164831691 720343046 /nfs/dbraw/zinc/34/30/46/720343046.db2.gz ZOQSERDZCVLGHQ-MOPGFXCFSA-N 1 0 490.986 3.648 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(F)ccc2-c2ccc(Cl)nn2)CC1 ZINC001164824387 720344698 /nfs/dbraw/zinc/34/46/98/720344698.db2.gz IDDBYQYMDYWSKY-NHCUHLMSSA-N 1 0 457.981 3.848 20 0 JHADRO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2C)cc1 ZINC001164821689 720350758 /nfs/dbraw/zinc/35/07/58/720350758.db2.gz BHSXQMBTJMCJLE-IZZNHLLZSA-N 1 0 477.653 3.604 20 0 JHADRO COc1ccc(Cc2c(C)nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2C)cc1 ZINC001164821688 720350949 /nfs/dbraw/zinc/35/09/49/720350949.db2.gz BHSXQMBTJMCJLE-FTJBHMTQSA-N 1 0 477.653 3.604 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(C(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001164822177 720351135 /nfs/dbraw/zinc/35/11/35/720351135.db2.gz CCKFCSHCPQJGKA-VQTJNVASSA-N 1 0 463.022 3.602 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2ccccc2F)CC1 ZINC001164824284 720352236 /nfs/dbraw/zinc/35/22/36/720352236.db2.gz HVFGVWILSJYLNS-MOPGFXCFSA-N 1 0 473.980 3.973 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)C2(c3ccnc(Cl)c3)CC2)CC1 ZINC001164822276 720354419 /nfs/dbraw/zinc/35/44/19/720354419.db2.gz CYRFBOGFKJJWLM-RBUKOAKNSA-N 1 0 452.977 3.767 20 0 JHADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735685 720416050 /nfs/dbraw/zinc/41/60/50/720416050.db2.gz XNAROPAAFVEXLF-SKOXWRBESA-N 1 0 463.582 3.501 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3C(=O)NC3CCCCC3)CC[C@@H]21 ZINC001164835793 720514276 /nfs/dbraw/zinc/51/42/76/720514276.db2.gz LKAXWUSRYVBTDB-SFLYRZDNSA-N 1 0 450.631 3.718 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834875 720522991 /nfs/dbraw/zinc/52/29/91/720522991.db2.gz HTVFMUGFYHUSIQ-HZSPNIEDSA-N 1 0 481.819 3.954 20 0 JHADRO CCS(=O)(=O)c1cc(C(F)(F)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)cnc1Cl ZINC001164733450 720548429 /nfs/dbraw/zinc/54/84/29/720548429.db2.gz NJPPIFFMNBIGQE-HNNXBMFYSA-N 1 0 465.994 3.590 20 0 JHADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)CC2 ZINC001164736498 720590659 /nfs/dbraw/zinc/59/06/59/720590659.db2.gz MBKLAELZYISBSB-UHFFFAOYSA-N 1 0 457.626 3.989 20 0 JHADRO COC(=O)C[C@H](c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1)C1CC1 ZINC001164835933 720595575 /nfs/dbraw/zinc/59/55/75/720595575.db2.gz CUXKTVUHBHWGOL-NEWJYFPISA-N 1 0 451.615 3.713 20 0 JHADRO COc1nc(Cl)ncc1C(F)(F)N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842335 720708774 /nfs/dbraw/zinc/70/87/74/720708774.db2.gz YJCRMNISZWRKMV-QGZVFWFLSA-N 1 0 452.933 3.943 20 0 JHADRO CSc1nc(Cl)cc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)n1 ZINC001164842022 720741901 /nfs/dbraw/zinc/74/19/01/720741901.db2.gz BVCNSBXUUWANNU-UHFFFAOYSA-N 1 0 477.972 3.754 20 0 JHADRO FC(F)(COc1ccnc(Cl)c1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842133 720742513 /nfs/dbraw/zinc/74/25/13/720742513.db2.gz CVZJFZIZQSDEBS-UHFFFAOYSA-N 1 0 460.916 3.560 20 0 JHADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747481 720812241 /nfs/dbraw/zinc/81/22/41/720812241.db2.gz OEACCDGFNFDLLG-YXJHDRRASA-N 1 0 457.356 3.904 20 0 JHADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739177 720822573 /nfs/dbraw/zinc/82/25/73/720822573.db2.gz HMAYRGHZSYXDHL-YRISNDGFSA-N 1 0 473.959 3.799 20 0 JHADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745795 720835291 /nfs/dbraw/zinc/83/52/91/720835291.db2.gz NKQILGITLAZGNU-CMKODMSKSA-N 1 0 473.021 3.661 20 0 JHADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743954 720835674 /nfs/dbraw/zinc/83/56/74/720835674.db2.gz JZCLXTMKNXJTDI-YFVAEKQCSA-N 1 0 473.959 3.799 20 0 JHADRO Clc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1Cl ZINC001164739508 720839482 /nfs/dbraw/zinc/83/94/82/720839482.db2.gz ARDYPASHMXOZLR-VWKPWSFCSA-N 1 0 458.397 3.908 20 0 JHADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742429 720840487 /nfs/dbraw/zinc/84/04/87/720840487.db2.gz GKUTUVKXBXNFTJ-CBGDNZLLSA-N 1 0 489.958 3.679 20 0 JHADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5c(-c6ccccc6)nsc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743894 720848285 /nfs/dbraw/zinc/84/82/85/720848285.db2.gz JWBVZMFGNZSOFX-PCCBWWKXSA-N 1 0 472.622 3.724 20 0 JHADRO CCN(c1ccccc1)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164747630 720854216 /nfs/dbraw/zinc/85/42/16/720854216.db2.gz IMDJQUCAOPKXAN-QPTUXGOLSA-N 1 0 458.614 3.606 20 0 JHADRO Clc1cccc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164747627 720856043 /nfs/dbraw/zinc/85/60/43/720856043.db2.gz ILQFYHQDJYQVDJ-TXPKVOOTSA-N 1 0 458.397 3.908 20 0 JHADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743869 720859807 /nfs/dbraw/zinc/85/98/07/720859807.db2.gz APZIFPAVECLBIE-XUVXKRRUSA-N 1 0 496.015 3.902 20 0 JHADRO Clc1ccc(OC(Cl)(Cl)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cn1 ZINC001164748238 720860437 /nfs/dbraw/zinc/86/04/37/720860437.db2.gz LGOCBVSEDDODHA-SOLBZPMBSA-N 1 0 471.820 3.669 20 0 JHADRO FC(F)(N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164747637 720860708 /nfs/dbraw/zinc/86/07/08/720860708.db2.gz ISGPVIZDMQNQHM-MISYRCLQSA-N 1 0 462.976 3.826 20 0 JHADRO COC(=O)c1cnc(Cl)cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754454 720870534 /nfs/dbraw/zinc/87/05/34/720870534.db2.gz RUCUFLUMZWNRBY-NBGIEHNGSA-N 1 0 471.001 3.672 20 0 JHADRO O=C(c1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1)N1CCCCC1 ZINC001164754573 720873482 /nfs/dbraw/zinc/87/34/82/720873482.db2.gz SAWSUXVDIDEMCD-VAVYLYDRSA-N 1 0 489.664 3.858 20 0 JHADRO COC(=O)c1ccc2cnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164753380 720876218 /nfs/dbraw/zinc/87/62/18/720876218.db2.gz PFDRLMYWGABEKJ-CUBQBAPOSA-N 1 0 487.604 3.567 20 0 JHADRO Clc1nnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2cnccc12 ZINC001164747120 720876588 /nfs/dbraw/zinc/87/65/88/720876588.db2.gz AAILPDNECCDUTE-NBGIEHNGSA-N 1 0 465.001 3.828 20 0 JHADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c1 ZINC001164754965 720881245 /nfs/dbraw/zinc/88/12/45/720881245.db2.gz UYGMJOQSOKICBR-RPLLCQBOSA-N 1 0 464.610 3.717 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@@H]2C1 ZINC001164865260 720881820 /nfs/dbraw/zinc/88/18/20/720881820.db2.gz ZHDGUZOMCCPUQX-XLIONFOSSA-N 1 0 452.933 3.515 20 0 JHADRO Clc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)SCC2 ZINC001164756895 720884378 /nfs/dbraw/zinc/88/43/78/720884378.db2.gz SBEQWRXTUHLDPH-NTKDMRAZSA-N 1 0 472.058 3.928 20 0 JHADRO COc1cc2ncc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2cc1OC ZINC001164754021 720886775 /nfs/dbraw/zinc/88/67/75/720886775.db2.gz IILHXOCMGKQIOE-DWACAAAGSA-N 1 0 489.620 3.797 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nc(-c4ccc(F)c(Cl)c4)n3)CC[C@H]2C1 ZINC001164864688 720886866 /nfs/dbraw/zinc/88/68/66/720886866.db2.gz WLXUDEBZKGTQGA-MAUKXSAKSA-N 1 0 455.361 3.763 20 0 JHADRO COC(=O)c1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1Cl ZINC001164755331 720888487 /nfs/dbraw/zinc/88/84/87/720888487.db2.gz LAOUZDNVFLSYPU-CJFMBICVSA-N 1 0 471.001 3.672 20 0 JHADRO Clc1nc2ncsc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755693 720891274 /nfs/dbraw/zinc/89/12/74/720891274.db2.gz MQDAJMAMIDZODH-MBSDFSHPSA-N 1 0 471.030 3.890 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccc(C)cc4)nnc3Cl)CC[C@@H]2C1 ZINC001164862139 720891532 /nfs/dbraw/zinc/89/15/32/720891532.db2.gz QUAZZQGUGIAFSP-NQIIRXRSSA-N 1 0 466.960 3.824 20 0 JHADRO COC(=O)c1ccc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757777 720893249 /nfs/dbraw/zinc/89/32/49/720893249.db2.gz VPIBXLNWQSRHLU-CPJSRVTESA-N 1 0 471.001 3.672 20 0 JHADRO COc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc21 ZINC001164751707 720894508 /nfs/dbraw/zinc/89/45/08/720894508.db2.gz DCJYQDYLKBVXLJ-AMGIVPHBSA-N 1 0 459.594 3.789 20 0 JHADRO COC(OC)c1cc(C)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755975 720900221 /nfs/dbraw/zinc/90/02/21/720900221.db2.gz NXKRBZZAERERGK-HOFKKMOUSA-N 1 0 466.626 3.832 20 0 JHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc(N4CCCCC4)ncn2)C3)c1 ZINC001164755081 720910157 /nfs/dbraw/zinc/91/01/57/720910157.db2.gz YDLAWCOEBQTUEP-SHQCIBLASA-N 1 0 462.642 3.617 20 0 JHADRO 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Cc1cc2c(ncnc2N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001164858560 720939430 /nfs/dbraw/zinc/93/94/30/720939430.db2.gz JBJZSFBNKOHGEX-LJQANCHMSA-N 1 0 493.637 3.595 20 0 JHADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164857214 720987802 /nfs/dbraw/zinc/98/78/02/720987802.db2.gz DNHOTGBTSZXKMF-KRWDZBQOSA-N 1 0 472.634 3.976 20 0 JHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)[C@@H]2C ZINC001164857388 721013405 /nfs/dbraw/zinc/01/34/05/721013405.db2.gz DLUBUQOLVKWVGP-HXUWFJFHSA-N 1 0 461.614 3.598 20 0 JHADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cnc1Cl ZINC001164861486 721024127 /nfs/dbraw/zinc/02/41/27/721024127.db2.gz ORSMLOUANPBDPH-CQSZACIVSA-N 1 0 475.993 3.691 20 0 JHADRO Cc1ccc(C[NH+]2CCC3(CCN(c4[nH+]cnc5[n-]cc(S(C)(=O)=O)c54)CC3)CC2)cc1 ZINC001164760643 721043471 /nfs/dbraw/zinc/04/34/71/721043471.db2.gz ZFJIQQKQBRREQL-UHFFFAOYSA-N 1 0 453.612 3.552 20 0 JHADRO 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Cc1ccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164964089 722025392 /nfs/dbraw/zinc/02/53/92/722025392.db2.gz VLYUGPRCXKUTDZ-FNZWTVRRSA-N 1 0 492.027 3.793 20 0 JHADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963060 722054868 /nfs/dbraw/zinc/05/48/68/722054868.db2.gz GURFFFNHPFGATN-UHFFFAOYSA-N 1 0 458.990 3.734 20 0 JHADRO Clc1cc(-c2ccncc2)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164966329 722061848 /nfs/dbraw/zinc/06/18/48/722061848.db2.gz RAPOXNQBNLKRQZ-UHFFFAOYSA-N 1 0 450.974 3.706 20 0 JHADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1Cl ZINC001164984374 722107332 /nfs/dbraw/zinc/10/73/32/722107332.db2.gz SWKVPPXPLJJGPV-WMZOPIPTSA-N 1 0 465.381 3.687 20 0 JHADRO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2n1 ZINC001164975555 722107633 /nfs/dbraw/zinc/10/76/33/722107633.db2.gz CNEPLOYUZTYMCF-UONOGXRCSA-N 1 0 480.787 3.502 20 0 JHADRO FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983075 722128055 /nfs/dbraw/zinc/12/80/55/722128055.db2.gz XYPDXPWYAKDTHV-XLIONFOSSA-N 1 0 459.928 3.950 20 0 JHADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164979040 722128385 /nfs/dbraw/zinc/12/83/85/722128385.db2.gz OUFLCTXXRXEKKE-PXNSSMCTSA-N 1 0 470.936 3.579 20 0 JHADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972756 722135335 /nfs/dbraw/zinc/13/53/35/722135335.db2.gz AKTUEHUDXFEOBE-CVEARBPZSA-N 1 0 458.340 3.537 20 0 JHADRO O=C(c1ccccc1)n1ccc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164980339 722136506 /nfs/dbraw/zinc/13/65/06/722136506.db2.gz MZBPAKGOWKNOLR-DQEYMECFSA-N 1 0 467.573 3.847 20 0 JHADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164976017 722139724 /nfs/dbraw/zinc/13/97/24/722139724.db2.gz GIGYJTKXSGVWDN-VQTJNVASSA-N 1 0 481.622 3.607 20 0 JHADRO O=C(NC1CCCC1)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164985481 722144271 /nfs/dbraw/zinc/14/42/71/722144271.db2.gz ZPOZKSBFSBZLDD-WMZHIEFXSA-N 1 0 470.017 3.530 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(Cl)c2c1 ZINC001164978858 722145458 /nfs/dbraw/zinc/14/54/58/722145458.db2.gz JZQTXXQPIDDRBM-DYESRHJHSA-N 1 0 489.954 3.959 20 0 JHADRO O=C(c1ccco1)N1CCC[C@]2(C1)CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CCO2 ZINC001165001367 722248940 /nfs/dbraw/zinc/24/89/40/722248940.db2.gz PBMFSXKDJBKGDJ-MUUNZHRXSA-N 1 0 472.589 3.745 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc([Si](C)(C)C)c(Cl)n1)CCC2 ZINC001165001900 722255174 /nfs/dbraw/zinc/25/51/74/722255174.db2.gz IOXPONHRNZHUHO-UHFFFAOYSA-N 1 0 472.056 3.510 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc(Cl)c2c1 ZINC001165003386 722256687 /nfs/dbraw/zinc/25/66/87/722256687.db2.gz BHHUSNQIETUKFM-UHFFFAOYSA-N 1 0 480.947 3.522 20 0 JHADRO Cc1ccc(Oc2nc(Cl)ncc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)cc1 ZINC001165003388 722257945 /nfs/dbraw/zinc/25/79/45/722257945.db2.gz BLTHFGPCABVTEQ-UHFFFAOYSA-N 1 0 456.978 3.916 20 0 JHADRO Cc1nc(CO[C@H]2COC3(C2)CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)cs1 ZINC001165007060 722273083 /nfs/dbraw/zinc/27/30/83/722273083.db2.gz UINIKLGNWHKINT-OAQYLSRUSA-N 1 0 458.628 3.666 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)OC)CC[N@@H+]1CCOC ZINC001306621642 1069310227 /nfs/dbraw/zinc/31/02/27/1069310227.db2.gz DDBYXCHBMTXJBG-AEFFLSMTSA-N 1 0 498.441 3.819 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOC)CC[N@@H+]1CCOC ZINC001306621507 1069310298 /nfs/dbraw/zinc/31/02/98/1069310298.db2.gz XYKBLVGTRJLIEH-ICSRJNTNSA-N 1 0 461.676 3.715 20 0 JHADRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2cc(OC(F)(F)F)ccc2Br)CCO1 ZINC001311259706 1069310995 /nfs/dbraw/zinc/31/09/95/1069310995.db2.gz KDEIWCFOIWEJFQ-ZDUSSCGKSA-N 1 0 454.287 3.922 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2c(F)cc(F)c(F)c2F)CC[N@@H+]1CCOC 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FWIAJNXTTYMYEG-UHFFFAOYSA-N 1 0 457.416 3.682 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001311423447 1069371537 /nfs/dbraw/zinc/37/15/37/1069371537.db2.gz PXXKHBHBLFEVKI-IBGZPJMESA-N 1 0 459.997 3.569 20 0 JHADRO CCCCCn1cc(Cn2c(C(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)c(C)n1 ZINC001306658124 1069372873 /nfs/dbraw/zinc/37/28/73/1069372873.db2.gz YLRQGZGLBIKJGD-UHFFFAOYSA-N 1 0 457.667 3.694 20 0 JHADRO CO[C@@H](C)c1nc(CN2CCCN(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)cs1 ZINC001311430239 1069376434 /nfs/dbraw/zinc/37/64/34/1069376434.db2.gz JHDXRXOMQUFRDQ-UXHICEINSA-N 1 0 451.681 3.722 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001311447768 1069383453 /nfs/dbraw/zinc/38/34/53/1069383453.db2.gz LCIDPDPEOPFBMB-GXRSIYKFSA-N 1 0 460.594 3.845 20 0 JHADRO CCOC(=O)C1(CC(F)F)CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001311480546 1069397772 /nfs/dbraw/zinc/39/77/72/1069397772.db2.gz OIWZUKFVLFTNOS-UHFFFAOYSA-N 1 0 451.558 3.704 20 0 JHADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001311482317 1069398048 /nfs/dbraw/zinc/39/80/48/1069398048.db2.gz UEKXSLNNTKKCCN-UHFFFAOYSA-N 1 0 452.574 3.656 20 0 JHADRO C[C@@H](NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311482040 1069398280 /nfs/dbraw/zinc/39/82/80/1069398280.db2.gz FARZGINBIBFPPL-DVECYGJZSA-N 1 0 450.583 3.943 20 0 JHADRO C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311482887 1069398756 /nfs/dbraw/zinc/39/87/56/1069398756.db2.gz RBDJIXJKLACZJQ-LEWJYISDSA-N 1 0 450.583 3.754 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccc3Br)n2CCC(=O)NC)CC1 ZINC001306677709 1069401892 /nfs/dbraw/zinc/40/18/92/1069401892.db2.gz BEZVERKTADJFFU-UHFFFAOYSA-N 1 0 491.478 3.792 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001306678418 1069403118 /nfs/dbraw/zinc/40/31/18/1069403118.db2.gz BHCLHUVSWDRZMG-UHFFFAOYSA-N 1 0 488.080 3.980 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001306679393 1069404929 /nfs/dbraw/zinc/40/49/29/1069404929.db2.gz JFRVCDCEENSGMY-AZUAARDMSA-N 1 0 483.642 3.685 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N[C@H](c3ccccc3)C3(CO)CCC3)cc2)C[C@@H](C)O1 ZINC001311495821 1069405603 /nfs/dbraw/zinc/40/56/03/1069405603.db2.gz INKBSVBXCNMHQR-DNRQZRRGSA-N 1 0 451.611 3.999 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc4cccnc43)n2CC(=O)NC(C)C)CC1 ZINC001306679689 1069406013 /nfs/dbraw/zinc/40/60/13/1069406013.db2.gz RXZBBLWIXSWUPU-UHFFFAOYSA-N 1 0 477.657 3.966 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(C)COCCO2)CC1 ZINC001306679856 1069406040 /nfs/dbraw/zinc/40/60/40/1069406040.db2.gz KTMWMMZJFJNRMF-SANMLTNESA-N 1 0 471.646 3.708 20 0 JHADRO CN(C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001311496425 1069406358 /nfs/dbraw/zinc/40/63/58/1069406358.db2.gz MYVGHIAOKJREBF-RPBOFIJWSA-N 1 0 450.627 3.822 20 0 JHADRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCc3c(Br)ccc(F)c3C2)cc1 ZINC001311498424 1069407612 /nfs/dbraw/zinc/40/76/12/1069407612.db2.gz VCJZNZJNFZMEBQ-UHFFFAOYSA-N 1 0 450.352 3.797 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N3CCC([C@](C)(O)C(F)(F)F)CC3)cc2)C[C@H](C)O1 ZINC001311498783 1069407783 /nfs/dbraw/zinc/40/77/83/1069407783.db2.gz WVJNLSYQSGGRPN-JKSBSHDWSA-N 1 0 457.537 3.531 20 0 JHADRO CC(=O)N1CC[C@H](NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c2ccccc21 ZINC001311499127 1069408413 /nfs/dbraw/zinc/40/84/13/1069408413.db2.gz XEMPHPJSEOJBFD-IECBHUPTSA-N 1 0 450.583 3.593 20 0 JHADRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001311500431 1069409626 /nfs/dbraw/zinc/40/96/26/1069409626.db2.gz SYNWOESHLDVANW-NRFANRHFSA-N 1 0 451.489 3.929 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001306681053 1069409729 /nfs/dbraw/zinc/40/97/29/1069409729.db2.gz HKGYPZHFQTVHFH-UHFFFAOYSA-N 1 0 478.435 3.829 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001306684154 1069418615 /nfs/dbraw/zinc/41/86/15/1069418615.db2.gz LBDTVEIPEBGMTG-SFHVURJKSA-N 1 0 468.568 3.758 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001306684640 1069419270 /nfs/dbraw/zinc/41/92/70/1069419270.db2.gz QOBMBELQGJMSJO-UHFFFAOYSA-N 1 0 482.032 3.688 20 0 JHADRO CC(C)C[NH+]1CCC(NC(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1 ZINC001311530294 1069425277 /nfs/dbraw/zinc/42/52/77/1069425277.db2.gz JRCNMEYAOWTXFX-GOSISDBHSA-N 1 0 455.443 3.875 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306687997 1069425340 /nfs/dbraw/zinc/42/53/40/1069425340.db2.gz MYCFLJYLGLVJFY-UHFFFAOYSA-N 1 0 479.673 3.708 20 0 JHADRO CCCCN(CC)c1nnc(C(=O)NC(C)C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001306688399 1069425425 /nfs/dbraw/zinc/42/54/25/1069425425.db2.gz SEOQGEVHQLHFCR-UHFFFAOYSA-N 1 0 450.697 3.794 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(C)c2C)CC1 ZINC001306688873 1069425853 /nfs/dbraw/zinc/42/58/53/1069425853.db2.gz PWPULCWUTIHGHO-UHFFFAOYSA-N 1 0 461.658 3.939 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001306688537 1069425984 /nfs/dbraw/zinc/42/59/84/1069425984.db2.gz PRVYBAYWDRRMRM-VMODYCNZSA-N 1 0 485.673 3.979 20 0 JHADRO CCC(CC)[C@@H](CNC(=O)NCC1(c2ccc(Br)cc2)CC1)[NH+]1CCOCC1 ZINC001311537149 1069429706 /nfs/dbraw/zinc/42/97/06/1069429706.db2.gz ZNYCTBJPNDIZOJ-HXUWFJFHSA-N 1 0 452.437 3.917 20 0 JHADRO CCCCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001306694643 1069431355 /nfs/dbraw/zinc/43/13/55/1069431355.db2.gz VKEXVAMQJDKEHU-OAQYLSRUSA-N 1 0 457.619 3.700 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc(F)c1 ZINC001311568511 1069442216 /nfs/dbraw/zinc/44/22/16/1069442216.db2.gz GPMJDEHYMQUGAE-WMZOPIPTSA-N 1 0 458.525 3.620 20 0 JHADRO CSc1ccccc1OC[C@H](O)CN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001311578524 1069447454 /nfs/dbraw/zinc/44/74/54/1069447454.db2.gz ODVWBDJAKSELIY-FGZHOGPDSA-N 1 0 457.640 3.843 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1Cl ZINC001311570104 1069442675 /nfs/dbraw/zinc/44/26/75/1069442675.db2.gz XKOKVBHVFWPNSA-JTSKRJEESA-N 1 0 455.990 3.821 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C1CCOCC1)C1(CO)CCC1)c1ccccc1Cl ZINC001311570505 1069442788 /nfs/dbraw/zinc/44/27/88/1069442788.db2.gz ZEMFLDSUXGOTHH-FCHUYYIVSA-N 1 0 452.039 3.980 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1)Cc1ccccc1 ZINC001311571294 1069443368 /nfs/dbraw/zinc/44/33/68/1069443368.db2.gz KEJGQKZXSFKTNT-NRFANRHFSA-N 1 0 456.388 3.607 20 0 JHADRO CC1CC[NH+]([C@H](CNC(=O)N2CCN(CC(F)(F)C(F)F)CC2)c2cccs2)CC1 ZINC001311572727 1069444512 /nfs/dbraw/zinc/44/45/12/1069444512.db2.gz NWDQMISRHCRNJZ-MRXNPFEDSA-N 1 0 450.546 3.749 20 0 JHADRO COc1cccc([C@H](CNC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)[NH+]2CCCC2)c1 ZINC001311581443 1069448697 /nfs/dbraw/zinc/44/86/97/1069448697.db2.gz QOVDJZZTIKDPRM-ACESQOTJSA-N 1 0 455.603 3.525 20 0 JHADRO O=C(NCCCOC[C@@H]1CCCO1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001311589365 1069453048 /nfs/dbraw/zinc/45/30/48/1069453048.db2.gz ASWFOYJXOKGFEJ-CCDWMCETSA-N 1 0 455.574 3.679 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001306719908 1069454481 /nfs/dbraw/zinc/45/44/81/1069454481.db2.gz DWIOADZPEZNJHS-QFQXNSOFSA-N 1 0 474.694 3.810 20 0 JHADRO CCCCn1cc(Cn2c([C@H]3CCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c(C)n1 ZINC001306720904 1069456188 /nfs/dbraw/zinc/45/61/88/1069456188.db2.gz YSGWRIBOLJMTOJ-NRFANRHFSA-N 1 0 457.667 3.694 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(F)ccc2C1 ZINC001306720860 1069456242 /nfs/dbraw/zinc/45/62/42/1069456242.db2.gz OCICOBVCKQWHFR-JOCHJYFZSA-N 1 0 456.610 3.773 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCOCC1 ZINC001306721783 1069458528 /nfs/dbraw/zinc/45/85/28/1069458528.db2.gz DNMZSNUACMFRIA-NRFANRHFSA-N 1 0 457.619 3.844 20 0 JHADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC001311599254 1069458596 /nfs/dbraw/zinc/45/85/96/1069458596.db2.gz YDBIVKALQLPFQJ-UHFFFAOYSA-N 1 0 454.419 3.554 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)CC1 ZINC001306722253 1069459620 /nfs/dbraw/zinc/45/96/20/1069459620.db2.gz JKSJIYVBKBRICX-PZJWPPBQSA-N 1 0 477.650 3.781 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001306722746 1069461629 /nfs/dbraw/zinc/46/16/29/1069461629.db2.gz KRMGGKWKNKHZAX-SFTDATJTSA-N 1 0 476.666 3.540 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001306723326 1069462911 /nfs/dbraw/zinc/46/29/11/1069462911.db2.gz RNININFGFJPLTL-RPBOFIJWSA-N 1 0 482.673 3.503 20 0 JHADRO CC[C@H](NC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)NC ZINC001311611129 1069463028 /nfs/dbraw/zinc/46/30/28/1069463028.db2.gz ISKXJXIAYSMABQ-GGAORHGYSA-N 1 0 452.599 3.569 20 0 JHADRO CC[C@H](NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1ccccc1OCC(=O)N(C)C ZINC001311614105 1069466270 /nfs/dbraw/zinc/46/62/70/1069466270.db2.gz JNOGLFPNXLLDLV-FUDKSRODSA-N 1 0 458.647 3.901 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001306726602 1069470619 /nfs/dbraw/zinc/47/06/19/1069470619.db2.gz ABFKHZPHPCNKDV-VWNXMTODSA-N 1 0 466.674 3.775 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(F)(F)CC1 ZINC001306727549 1069472167 /nfs/dbraw/zinc/47/21/67/1069472167.db2.gz DSAOXCSJFUXTGM-UFYCRDLUSA-N 1 0 455.594 3.892 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 ZINC001306727589 1069472767 /nfs/dbraw/zinc/47/27/67/1069472767.db2.gz FFWLESRVZVQPFJ-BDTNDASRSA-N 1 0 490.693 3.930 20 0 JHADRO COc1ccccc1[C@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1)[NH+]1CCCCC1 ZINC001311622482 1069472720 /nfs/dbraw/zinc/47/27/20/1069472720.db2.gz LORHLFAYEIPYPZ-FXSPECFOSA-N 1 0 455.574 3.732 20 0 JHADRO CCC[C@@H]1CN(C(=O)NCc2cccc(CN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001311625845 1069475500 /nfs/dbraw/zinc/47/55/00/1069475500.db2.gz UDYYPLHUKWSMPK-AREMUKBSSA-N 1 0 450.627 3.715 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1 ZINC001306729134 1069477073 /nfs/dbraw/zinc/47/70/73/1069477073.db2.gz WSPZPONCLORUNP-XMMPIXPASA-N 1 0 482.673 3.591 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001306729267 1069477582 /nfs/dbraw/zinc/47/75/82/1069477582.db2.gz LRZNSRHSBZUTDU-GBXCKJPGSA-N 1 0 454.663 3.996 20 0 JHADRO C[C@@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC001311629312 1069477730 /nfs/dbraw/zinc/47/77/30/1069477730.db2.gz BENUKFKQXPSBAV-HYBUGGRVSA-N 1 0 456.656 3.648 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(CC(C)C)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306730542 1069482553 /nfs/dbraw/zinc/48/25/53/1069482553.db2.gz JZMZKKFKLRTMRI-SFTDATJTSA-N 1 0 478.751 3.825 20 0 JHADRO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC001311636773 1069482928 /nfs/dbraw/zinc/48/29/28/1069482928.db2.gz LYAPNIKPJUGDBS-RCXJIHSJSA-N 1 0 450.627 3.578 20 0 JHADRO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)N2CCOCC2)cc1 ZINC001311638363 1069483899 /nfs/dbraw/zinc/48/38/99/1069483899.db2.gz YIALLRDLQQUVJI-GPXNEJASSA-N 1 0 456.656 3.812 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001306730995 1069484092 /nfs/dbraw/zinc/48/40/92/1069484092.db2.gz LGPCSLKJCZSCTO-BDTNDASRSA-N 1 0 474.694 3.568 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001306731054 1069484489 /nfs/dbraw/zinc/48/44/89/1069484489.db2.gz OJVMHWNEASWXOD-WIYBCGNWSA-N 1 0 465.708 3.987 20 0 JHADRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC001311640279 1069485370 /nfs/dbraw/zinc/48/53/70/1069485370.db2.gz NPWCLYMRCJPRJB-SFHVURJKSA-N 1 0 456.562 3.674 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCSCC2)C1 ZINC001306731794 1069487371 /nfs/dbraw/zinc/48/73/71/1069487371.db2.gz FZJGXUWLOYNFKB-VWNXMTODSA-N 1 0 498.741 3.747 20 0 JHADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC001311647012 1069487848 /nfs/dbraw/zinc/48/78/48/1069487848.db2.gz ZRXBCCFSPMXTOG-ZEQKJWHPSA-N 1 0 456.590 3.856 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001306732031 1069488280 /nfs/dbraw/zinc/48/82/80/1069488280.db2.gz KUWRSUKRKYPARE-UNIVCBNLSA-N 1 0 484.714 3.904 20 0 JHADRO CC1CC[NH+]([C@H](CNC(=O)NCCNc2nccc(C(F)(F)F)n2)c2ccccc2)CC1 ZINC001311651034 1069489145 /nfs/dbraw/zinc/48/91/45/1069489145.db2.gz BJABMAVAEDOYMR-GOSISDBHSA-N 1 0 450.509 3.680 20 0 JHADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC001311664022 1069493304 /nfs/dbraw/zinc/49/33/04/1069493304.db2.gz HIXFCRGXWSFAOZ-RDPSFJRHSA-N 1 0 456.631 3.990 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[NH+](C)C)C1 ZINC001306734535 1069496964 /nfs/dbraw/zinc/49/69/64/1069496964.db2.gz DBSYYJIZXZLSNK-IRXDYDNUSA-N 1 0 465.017 3.820 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001306734749 1069497524 /nfs/dbraw/zinc/49/75/24/1069497524.db2.gz PVQXPEUSJDDULS-ACRUOGEOSA-N 1 0 455.651 3.669 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCO3)n2CC2CC[NH+](CCC)CC2)C1 ZINC001306737096 1069505290 /nfs/dbraw/zinc/50/52/90/1069505290.db2.gz VXBJYYARTCTQCV-AKIFATBCSA-N 1 0 474.694 3.773 20 0 JHADRO Cc1ccc(NC(=O)COc2ccc(CCNC(=O)NCc3ccc4c[nH+]cn4c3)cc2)cc1 ZINC001311691439 1069505637 /nfs/dbraw/zinc/50/56/37/1069505637.db2.gz NSCZMTZUZSKDAM-UHFFFAOYSA-N 1 0 457.534 3.702 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001306739279 1069511391 /nfs/dbraw/zinc/51/13/91/1069511391.db2.gz BRRKQMCBLJGTOX-RTWAWAEBSA-N 1 0 468.646 3.571 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001306739630 1069511851 /nfs/dbraw/zinc/51/18/51/1069511851.db2.gz COKJQXIOMFMGBT-HSZRJFAPSA-N 1 0 477.657 3.526 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306740190 1069512875 /nfs/dbraw/zinc/51/28/75/1069512875.db2.gz ITFUJUZUWYPSKS-DHIUTWEWSA-N 1 0 481.689 3.902 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCCCCC2)C1 ZINC001306740402 1069513812 /nfs/dbraw/zinc/51/38/12/1069513812.db2.gz MNOMQSUOVBEZTF-JOCHJYFZSA-N 1 0 467.662 3.657 20 0 JHADRO C[C@H](CNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1)[NH+]1CCC(C)CC1 ZINC001311742465 1069529590 /nfs/dbraw/zinc/52/95/90/1069529590.db2.gz MHGFIBLDKREDIG-HUUCEWRRSA-N 1 0 450.381 3.980 20 0 JHADRO O=C(CNC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1)NCC[NH+]1CCCCCC1 ZINC001311759917 1069535200 /nfs/dbraw/zinc/53/52/00/1069535200.db2.gz NFPXYNZXJVJPTE-QHCPKHFHSA-N 1 0 457.018 3.915 20 0 JHADRO CCCCOc1ccc(Cn2c(C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1OC ZINC001306752579 1069548432 /nfs/dbraw/zinc/54/84/32/1069548432.db2.gz AXWWLXQMJHJMNH-UHFFFAOYSA-N 1 0 484.689 3.817 20 0 JHADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001311796493 1069549747 /nfs/dbraw/zinc/54/97/47/1069549747.db2.gz BQAJZUPCBNAVBF-GOSISDBHSA-N 1 0 451.409 3.746 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001311805428 1069553283 /nfs/dbraw/zinc/55/32/83/1069553283.db2.gz PSLSACMLWNIBAV-HXUWFJFHSA-N 1 0 453.052 3.549 20 0 JHADRO CC[C@@H](C(=O)N1CCC(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1)c1ccccc1 ZINC001311822834 1069561489 /nfs/dbraw/zinc/56/14/89/1069561489.db2.gz AUFOIGBCLZIPBB-RUZDIDTESA-N 1 0 450.627 3.775 20 0 JHADRO CC[C@H](C(=O)N1CCC(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1)c1ccccc1 ZINC001311822835 1069561514 /nfs/dbraw/zinc/56/15/14/1069561514.db2.gz AUFOIGBCLZIPBB-VWLOTQADSA-N 1 0 450.627 3.775 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCc2cc3c([nH]c2=O)CCCC3)CC1 ZINC001311825057 1069563039 /nfs/dbraw/zinc/56/30/39/1069563039.db2.gz YWMRJCMUJVMEQB-KRWDZBQOSA-N 1 0 455.578 3.507 20 0 JHADRO CCC1([NH+]2CCC2)CCN(C(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)CC1 ZINC001311834524 1069570145 /nfs/dbraw/zinc/57/01/45/1069570145.db2.gz KWWPBQCPRRUACQ-UHFFFAOYSA-N 1 0 456.612 3.647 20 0 JHADRO CCCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001306772521 1069570834 /nfs/dbraw/zinc/57/08/34/1069570834.db2.gz HYMPGYRDDXCXMY-ZEQKJWHPSA-N 1 0 468.690 3.940 20 0 JHADRO CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001306773732 1069571416 /nfs/dbraw/zinc/57/14/16/1069571416.db2.gz AYIQEUPJEKGNEZ-RBUKOAKNSA-N 1 0 478.663 3.797 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 ZINC001306778931 1069574254 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CCC[NH+]1CCC(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001307044297 1069777132 /nfs/dbraw/zinc/77/71/32/1069777132.db2.gz PKUBZFKKLRVYHE-FCHUYYIVSA-N 1 0 490.693 3.645 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001307044785 1069779729 /nfs/dbraw/zinc/77/97/29/1069779729.db2.gz BQSXMSIHGXKZIR-KCEHZKJRSA-N 1 0 459.660 3.625 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001312201830 1069777591 /nfs/dbraw/zinc/77/75/91/1069777591.db2.gz CCAQEBSMRVDXHR-SFTDATJTSA-N 1 0 457.537 3.857 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC001312203731 1069779052 /nfs/dbraw/zinc/77/90/52/1069779052.db2.gz FSLZXDYAWZDZRO-RUZDIDTESA-N 1 0 455.574 3.673 20 0 JHADRO COc1cc(OC)cc(C2(F)CCN(C(=O)NC3CC[NH+](CCOC(C)C)CC3)CC2)c1 ZINC001312210339 1069783984 /nfs/dbraw/zinc/78/39/84/1069783984.db2.gz FGYJXBAGKDZTNH-UHFFFAOYSA-N 1 0 451.583 3.563 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(C(=O)NC)CC2)C1 ZINC001307046025 1069783968 /nfs/dbraw/zinc/78/39/68/1069783968.db2.gz JCEXITPYRKKJMS-GOSISDBHSA-N 1 0 491.105 3.918 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCNC(C)=O)CC1 ZINC001307046169 1069784008 /nfs/dbraw/zinc/78/40/08/1069784008.db2.gz SGUUEAMNYGUITO-GOSISDBHSA-N 1 0 472.703 3.968 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)NCCc1nc2c(s1)CCCC2 ZINC001312205087 1069780051 /nfs/dbraw/zinc/78/00/51/1069780051.db2.gz UVHFUFREMCAVNW-UHFFFAOYSA-N 1 0 456.656 3.935 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)OC(C)(C)C2)C1 ZINC001307045132 1069781111 /nfs/dbraw/zinc/78/11/11/1069781111.db2.gz DLKHGQVQCLRNOL-MHTWAQMVSA-N 1 0 490.693 3.784 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nccs2)CC1 ZINC001307045281 1069781796 /nfs/dbraw/zinc/78/17/96/1069781796.db2.gz GWAIAYMMLYINJQ-UHFFFAOYSA-N 1 0 456.616 3.778 20 0 JHADRO CCCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[N@H+](CCC)C1 ZINC001307045394 1069782469 /nfs/dbraw/zinc/78/24/69/1069782469.db2.gz WHQPVZNDOBJDJQ-VXKWHMMOSA-N 1 0 490.693 3.945 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@H](OC)C3)n2C[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001314198776 1069785236 /nfs/dbraw/zinc/78/52/36/1069785236.db2.gz KKBYDMMWMSUESJ-TXTKFYIRSA-N 1 0 457.619 3.916 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc4c(s3)CCCCC4)n2CCS(C)(=O)=O)CC1 ZINC001307046700 1069786094 /nfs/dbraw/zinc/78/60/94/1069786094.db2.gz ZNSISRIMACVBPZ-UHFFFAOYSA-N 1 0 479.716 3.631 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccccc3OCC)nnc2N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001307046857 1069786778 /nfs/dbraw/zinc/78/67/78/1069786778.db2.gz RZAMDIQKBWIGKL-NJYVYQBISA-N 1 0 457.619 3.601 20 0 JHADRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001312216103 1069787624 /nfs/dbraw/zinc/78/76/24/1069787624.db2.gz CXVXVHPGIBEGQC-DQEYMECFSA-N 1 0 456.606 3.579 20 0 JHADRO COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001312220065 1069790493 /nfs/dbraw/zinc/79/04/93/1069790493.db2.gz WXFOPVHZTYUTPD-GDLBMTQOSA-N 1 0 459.631 3.533 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N3CC=C(C(F)(F)F)CC3)nnc2[C@@]2(OCC)CCOC2)CC1 ZINC001307047540 1069789770 /nfs/dbraw/zinc/78/97/70/1069789770.db2.gz UYJQECJQOJNAFC-JOCHJYFZSA-N 1 0 471.568 3.751 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(C)=O)cc2)CC1 ZINC001307048229 1069793122 /nfs/dbraw/zinc/79/31/22/1069793122.db2.gz BACHIVHAEVPJBM-HHHXNRCGSA-N 1 0 498.672 3.636 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001314201963 1069799130 /nfs/dbraw/zinc/79/91/30/1069799130.db2.gz XEXSXIZAEHWAGU-RTWAWAEBSA-N 1 0 498.672 3.748 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3Br)n2CC2([S@@](C)=O)CC2)CC1 ZINC001307048929 1069795343 /nfs/dbraw/zinc/79/53/43/1069795343.db2.gz CINBZNMQHHTLJF-SSEXGKCCSA-N 1 0 494.503 3.929 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 ZINC001307049020 1069796039 /nfs/dbraw/zinc/79/60/39/1069796039.db2.gz GVMGKZYEMGXBQC-JIPXPUAJSA-N 1 0 485.673 3.731 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2cn[nH]c2)CC1 ZINC001307049052 1069796124 /nfs/dbraw/zinc/79/61/24/1069796124.db2.gz HSOPMKQPTVRSPB-SFHVURJKSA-N 1 0 455.582 3.834 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CC[C@H](OC)C(F)(F)F)CC1 ZINC001307049417 1069797353 /nfs/dbraw/zinc/79/73/53/1069797353.db2.gz KBXJDRMESMAAER-NRFANRHFSA-N 1 0 497.562 3.994 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(F)cc2C)CC1 ZINC001307049550 1069798041 /nfs/dbraw/zinc/79/80/41/1069798041.db2.gz OMJGWHGNMYRMAQ-UHFFFAOYSA-N 1 0 479.604 3.926 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccn3)n2CCc2ccc(NC(C)=O)cc2)CC1 ZINC001307049683 1069798057 /nfs/dbraw/zinc/79/80/57/1069798057.db2.gz MLBFFGRUXIIDLM-UHFFFAOYSA-N 1 0 461.614 3.852 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2CCc2cccs2)CC1 ZINC001307049754 1069798070 /nfs/dbraw/zinc/79/80/70/1069798070.db2.gz QUABARQFIDWVDU-UHFFFAOYSA-N 1 0 453.616 3.540 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3OC)n2Cc2ncccc2N(C)C)CC1 ZINC001307050357 1069800467 /nfs/dbraw/zinc/80/04/67/1069800467.db2.gz VCTAWPLCUUIXBZ-UHFFFAOYSA-N 1 0 463.630 3.774 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OC)nc2)CC1 ZINC001307051256 1069803418 /nfs/dbraw/zinc/80/34/18/1069803418.db2.gz ZCKGJPUWCVYHHY-UHFFFAOYSA-N 1 0 488.434 3.798 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001307051615 1069804246 /nfs/dbraw/zinc/80/42/46/1069804246.db2.gz QASLDNXSLMNKON-XZOQPEGZSA-N 1 0 452.647 3.750 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2CC)CC1 ZINC001307051704 1069805162 /nfs/dbraw/zinc/80/51/62/1069805162.db2.gz SNZFBRGROAYLNW-UPVQGACJSA-N 1 0 455.647 3.923 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001307051735 1069806086 /nfs/dbraw/zinc/80/60/86/1069806086.db2.gz LMMUWRPESJMCJS-UHFFFAOYSA-N 1 0 457.667 3.973 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cn(C)c4ccccc34)n2CC[S@@](=O)CC)CC1 ZINC001307052042 1069806806 /nfs/dbraw/zinc/80/68/06/1069806806.db2.gz QPFUSUNFYIXUML-YTTGMZPUSA-N 1 0 456.660 3.516 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001307052657 1069808957 /nfs/dbraw/zinc/80/89/57/1069808957.db2.gz BVEHNQCGXFMUCE-FQEVSTJZSA-N 1 0 459.708 3.982 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3n[nH]c(=O)c4ccccc43)n2C[C@H](OC)[C@@H](C)CC)CC1 ZINC001307051968 1069806963 /nfs/dbraw/zinc/80/69/63/1069806963.db2.gz PJQLYTCWVCCAJB-AVRDEDQJSA-N 1 0 481.645 3.966 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001307052714 1069809506 /nfs/dbraw/zinc/80/95/06/1069809506.db2.gz DCRKBNCUQQSQCD-RBBKRZOGSA-N 1 0 489.064 3.599 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001307052894 1069810428 /nfs/dbraw/zinc/81/04/28/1069810428.db2.gz ITHVHZCCTWYBCX-QZTJIDSGSA-N 1 0 462.639 3.718 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2CC(F)(F)Br)CC1 ZINC001307053186 1069810950 /nfs/dbraw/zinc/81/09/50/1069810950.db2.gz MGCAXYRYCDAUJI-UHFFFAOYSA-N 1 0 477.423 3.932 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001307053438 1069811843 /nfs/dbraw/zinc/81/18/43/1069811843.db2.gz OAEKDZKKJQWBOB-UHFFFAOYSA-N 1 0 497.688 3.974 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC(C(N)=O)CC1 ZINC001307053574 1069812999 /nfs/dbraw/zinc/81/29/99/1069812999.db2.gz DZJKMYCQFHJKHH-GOSISDBHSA-N 1 0 489.462 3.674 20 0 JHADRO CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)C2)nc1C ZINC001312256352 1069814208 /nfs/dbraw/zinc/81/42/08/1069814208.db2.gz VJRBBWOBCPUZPU-AHRSYUTCSA-N 1 0 456.612 3.790 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)c2cccc(OC)c2)CC1 ZINC001307054246 1069814542 /nfs/dbraw/zinc/81/45/42/1069814542.db2.gz VYVGPHOOQBASMZ-UHFFFAOYSA-N 1 0 482.673 3.698 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001307053956 1069815671 /nfs/dbraw/zinc/81/56/71/1069815671.db2.gz GZYNUNOZIXAEEM-XLIONFOSSA-N 1 0 491.478 3.790 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001307054318 1069816028 /nfs/dbraw/zinc/81/60/28/1069816028.db2.gz IALGXDVIKNKMOC-PZJWPPBQSA-N 1 0 459.038 3.825 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001307054518 1069816659 /nfs/dbraw/zinc/81/66/59/1069816659.db2.gz YGPSQARDRJSYKL-UHFFFAOYSA-N 1 0 498.716 3.895 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C1 ZINC001307056007 1069823964 /nfs/dbraw/zinc/82/39/64/1069823964.db2.gz SGOJXZPLCGERAJ-RXVVDRJESA-N 1 0 459.038 3.972 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001307055552 1069823110 /nfs/dbraw/zinc/82/31/10/1069823110.db2.gz QAQJMPMCIUZUNB-VWPQPMDRSA-N 1 0 490.096 3.803 20 0 JHADRO COc1ccccc1N1CC[C@@H](NC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1=O ZINC001312280203 1069834190 /nfs/dbraw/zinc/83/41/90/1069834190.db2.gz QKTKYUVTLNVPFU-GGAORHGYSA-N 1 0 452.599 3.601 20 0 JHADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCC(c2cccc(Br)c2)CC1 ZINC001312281624 1069835366 /nfs/dbraw/zinc/83/53/66/1069835366.db2.gz WYKROXRDFPOJJY-SFTDATJTSA-N 1 0 450.421 3.716 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 ZINC001307057672 1069835347 /nfs/dbraw/zinc/83/53/47/1069835347.db2.gz WXFKRBAVSBNVHW-IFMALSPDSA-N 1 0 455.647 3.980 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001307058282 1069838388 /nfs/dbraw/zinc/83/83/88/1069838388.db2.gz ZFIVAFAKEJWFPC-ZVDOUQERSA-N 1 0 457.619 3.840 20 0 JHADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)NC1(Cc2ccccc2Br)CC1 ZINC001312284006 1069837382 /nfs/dbraw/zinc/83/73/82/1069837382.db2.gz DTQSXVUKFRRQFH-VQTJNVASSA-N 1 0 450.421 3.591 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)[NH+]3CCC(C)CC3)CC2)n1 ZINC001314212215 1069837828 /nfs/dbraw/zinc/83/78/28/1069837828.db2.gz NAZCLUTYXGFRRJ-NRFANRHFSA-N 1 0 469.678 3.816 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001307058406 1069839797 /nfs/dbraw/zinc/83/97/97/1069839797.db2.gz MOHRURRRCZBAPO-IBGZPJMESA-N 1 0 453.697 3.535 20 0 JHADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)NC1(c2ccccc2Br)CCC1 ZINC001312289532 1069841175 /nfs/dbraw/zinc/84/11/75/1069841175.db2.gz VPFDJQRRMMNWDP-VQTJNVASSA-N 1 0 450.421 3.895 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001307058971 1069842061 /nfs/dbraw/zinc/84/20/61/1069842061.db2.gz PRPQLAGRPXQLEG-PZJWPPBQSA-N 1 0 460.667 3.941 20 0 JHADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)C1 ZINC001312287306 1069839572 /nfs/dbraw/zinc/83/95/72/1069839572.db2.gz ONJCIQOLSIJLTE-LJQANCHMSA-N 1 0 459.635 3.754 20 0 JHADRO CCOc1cccc(Cn2c(CC)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1OC(F)F ZINC001314213027 1069839676 /nfs/dbraw/zinc/83/96/76/1069839676.db2.gz ZPIAVUQYXVGWLO-KRWDZBQOSA-N 1 0 479.572 3.578 20 0 JHADRO CCCN1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](c2ccco2)[NH+](C)C)CC1=O ZINC001307060429 1069849232 /nfs/dbraw/zinc/84/92/32/1069849232.db2.gz JHENAIDKOWWTET-PZJWPPBQSA-N 1 0 498.603 3.902 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC001312305519 1069849582 /nfs/dbraw/zinc/84/95/82/1069849582.db2.gz PQKGWZRIQDTRJI-JHVJFLLYSA-N 1 0 453.480 3.740 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC001312306077 1069850637 /nfs/dbraw/zinc/85/06/37/1069850637.db2.gz RMLIUOBOFZHBCE-GBESFXJTSA-N 1 0 454.315 3.505 20 0 JHADRO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)[NH+](C)C)cc1 ZINC001312308868 1069853330 /nfs/dbraw/zinc/85/33/30/1069853330.db2.gz DOMSBRXMBKYJPD-GGAORHGYSA-N 1 0 456.562 3.710 20 0 JHADRO C[C@@H]1C[C@@H](CCNC(=O)NCC2(OCCO)CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312314936 1069856958 /nfs/dbraw/zinc/85/69/58/1069856958.db2.gz RNFDEWMFXRRRLI-TZIWHRDSSA-N 1 0 453.574 3.543 20 0 JHADRO C[C@@H]1C[C@H](CCNC(=O)NCC2(OCCO)CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312314930 1069857040 /nfs/dbraw/zinc/85/70/40/1069857040.db2.gz RNFDEWMFXRRRLI-CTNGQTDRSA-N 1 0 453.574 3.543 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001307061726 1069854954 /nfs/dbraw/zinc/85/49/54/1069854954.db2.gz IBTYQFQXNDVQSI-RTWAWAEBSA-N 1 0 489.686 3.622 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001307061699 1069855027 /nfs/dbraw/zinc/85/50/27/1069855027.db2.gz HMQFTPKQTPZTQC-JTHBVZDNSA-N 1 0 468.646 3.917 20 0 JHADRO 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COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC001307647640 1070099687 /nfs/dbraw/zinc/09/96/87/1070099687.db2.gz GMJQOLUZLRYZBM-INIZCTEOSA-N 1 0 459.974 3.924 20 0 JHADRO C[C@@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)[NH+]1CCC(CCC(N)=O)CC1 ZINC001307648308 1070100092 /nfs/dbraw/zinc/10/00/92/1070100092.db2.gz OQMWMLWYFXSXTR-HRAATJIYSA-N 1 0 456.974 3.977 20 0 JHADRO CCOCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001314321384 1070106422 /nfs/dbraw/zinc/10/64/22/1070106422.db2.gz IYFDXIDCWNRTSZ-CMKODMSKSA-N 1 0 469.552 3.881 20 0 JHADRO CCOCc1nnc(N2CC=C(C(C)(C)C)CC2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001314322074 1070108002 /nfs/dbraw/zinc/10/80/02/1070108002.db2.gz XBDILXAGQCLIGJ-UHFFFAOYSA-N 1 0 467.662 3.582 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314324027 1070110243 /nfs/dbraw/zinc/11/02/43/1070110243.db2.gz BLNHACAABJFUCE-IERDGZPVSA-N 1 0 459.557 3.673 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314324026 1070110410 /nfs/dbraw/zinc/11/04/10/1070110410.db2.gz BLNHACAABJFUCE-HRAATJIYSA-N 1 0 459.557 3.673 20 0 JHADRO C[C@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC001312769996 1070113527 /nfs/dbraw/zinc/11/35/27/1070113527.db2.gz YKYJVRIQBIUYLU-FQEVSTJZSA-N 1 0 458.603 3.628 20 0 JHADRO C[NH+](C)C[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Cl)c(Cl)c1 ZINC001312775644 1070115181 /nfs/dbraw/zinc/11/51/81/1070115181.db2.gz ZZDPMQJURQWSMM-KBXCAEBGSA-N 1 0 453.345 3.840 20 0 JHADRO CCOCc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314327198 1070115289 /nfs/dbraw/zinc/11/52/89/1070115289.db2.gz KYEBVFFPAHIYFR-FPOVZHCZSA-N 1 0 459.660 3.608 20 0 JHADRO CCOCc1nnc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314327202 1070115364 /nfs/dbraw/zinc/11/53/64/1070115364.db2.gz KYEBVFFPAHIYFR-TZIWHRDSSA-N 1 0 459.660 3.608 20 0 JHADRO CCOCc1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001314327593 1070115966 /nfs/dbraw/zinc/11/59/66/1070115966.db2.gz SJSVFKATIUZTFO-RTBURBONSA-N 1 0 451.681 3.568 20 0 JHADRO CCN(CC)C(=O)CCC1CC[NH+](C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001307676197 1070118719 /nfs/dbraw/zinc/11/87/19/1070118719.db2.gz VWEYWRISNJBGDB-AREMUKBSSA-N 1 0 459.631 3.511 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314331197 1070123195 /nfs/dbraw/zinc/12/31/95/1070123195.db2.gz PIUHMIRDHMKTDR-HXUWFJFHSA-N 1 0 497.669 3.738 20 0 JHADRO CCOCc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314333608 1070128812 /nfs/dbraw/zinc/12/88/12/1070128812.db2.gz JHZQUUKVFSXSOC-KGVIQGDOSA-N 1 0 475.600 3.712 20 0 JHADRO O=C(NCCCn1cc(Br)cn1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001312797082 1070127574 /nfs/dbraw/zinc/12/75/74/1070127574.db2.gz CSUMNTIDRMHUHT-UHFFFAOYSA-N 1 0 456.388 3.716 20 0 JHADRO CCOCc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314338524 1070135003 /nfs/dbraw/zinc/13/50/03/1070135003.db2.gz HYCCACNQNYMLJI-HSZRJFAPSA-N 1 0 474.694 3.554 20 0 JHADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001307693840 1070130952 /nfs/dbraw/zinc/13/09/52/1070130952.db2.gz YBECCLFNFMHWOP-IRWQIABSSA-N 1 0 455.502 3.606 20 0 JHADRO CCOCc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001314337071 1070132646 /nfs/dbraw/zinc/13/26/46/1070132646.db2.gz SPSHQCKGQHNJAO-FSSWDIPSSA-N 1 0 492.709 3.922 20 0 JHADRO CCOCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314338757 1070134778 /nfs/dbraw/zinc/13/47/78/1070134778.db2.gz IUUCJTUVOADNID-RTWAWAEBSA-N 1 0 474.694 3.600 20 0 JHADRO CCOCc1nnc(N2CCC(c3cnn(C)c3)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001314338743 1070135597 /nfs/dbraw/zinc/13/55/97/1070135597.db2.gz GSJIIITZJPUYLF-QHCPKHFHSA-N 1 0 451.619 3.543 20 0 JHADRO CCOCc1nnc(N2CCC(c3cnn(C)c3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314341309 1070140256 /nfs/dbraw/zinc/14/02/56/1070140256.db2.gz YUOPNKIMORTIPQ-PMACEKPBSA-N 1 0 457.667 3.689 20 0 JHADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)N[C@H]3COc4c(C)cccc4C3)CC2)c1C ZINC001312817504 1070140581 /nfs/dbraw/zinc/14/05/81/1070140581.db2.gz SPHOBYQCRZAUQT-OAQYLSRUSA-N 1 0 452.599 3.625 20 0 JHADRO CCOCc1nnc(N2CCC(CCCO)CC2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001314341450 1070141048 /nfs/dbraw/zinc/14/10/48/1070141048.db2.gz HNOCNMBZXYYJJD-NFBKMPQASA-N 1 0 461.676 3.948 20 0 JHADRO COc1cc(NC(=O)CC[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)cc(OC)c1OC ZINC001307716970 1070142563 /nfs/dbraw/zinc/14/25/63/1070142563.db2.gz PWCOMFWVMPPUGX-HSZRJFAPSA-N 1 0 455.599 3.931 20 0 JHADRO COc1ccc(CN(CCO)C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001312822635 1070143130 /nfs/dbraw/zinc/14/31/30/1070143130.db2.gz MTHHKPKYTAIJIL-QFIPXVFZSA-N 1 0 455.599 3.510 20 0 JHADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCCN1C(=O)CS/C1=C\C(=O)OC ZINC001307724118 1070148585 /nfs/dbraw/zinc/14/85/85/1070148585.db2.gz FLHNRZZTCLPWST-MXDDHBLUSA-N 1 0 453.402 3.566 20 0 JHADRO CCOCc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001314346014 1070151225 /nfs/dbraw/zinc/15/12/25/1070151225.db2.gz CXPHHEWYJNRZAT-FQEVSTJZSA-N 1 0 497.562 3.554 20 0 JHADRO COC(=O)/C=C/c1ccc(OCC[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)cc1 ZINC001307730314 1070153854 /nfs/dbraw/zinc/15/38/54/1070153854.db2.gz OCROYRNDMJJQAS-FMIVXFBMSA-N 1 0 452.551 3.890 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCc1ccccc1C(F)(F)F ZINC001314347471 1070155159 /nfs/dbraw/zinc/15/51/59/1070155159.db2.gz OHZDFEYYGQKCBG-OAQYLSRUSA-N 1 0 494.606 3.681 20 0 JHADRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307744331 1070162003 /nfs/dbraw/zinc/16/20/03/1070162003.db2.gz AMCVTRSVKIFKHR-PMACEKPBSA-N 1 0 453.624 3.782 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC001307742046 1070161286 /nfs/dbraw/zinc/16/12/86/1070161286.db2.gz OHDJHMKLYCHZAR-BVSLBCMMSA-N 1 0 459.562 3.561 20 0 JHADRO CCOCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314349175 1070162286 /nfs/dbraw/zinc/16/22/86/1070162286.db2.gz JMECCLCYUQHLQQ-NRFANRHFSA-N 1 0 490.624 3.750 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@H](Cc2nc(C)cs2)C1 ZINC001312885075 1070167160 /nfs/dbraw/zinc/16/71/60/1070167160.db2.gz JMEXWRFJYMHKPD-DNVJHFABSA-N 1 0 456.656 3.953 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001312883739 1070166322 /nfs/dbraw/zinc/16/63/22/1070166322.db2.gz CTJCORZAFNQYNM-CEMLEFRQSA-N 1 0 465.516 3.575 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(CC)CC1CCN(c2ccccn2)CC1 ZINC001312883723 1070166343 /nfs/dbraw/zinc/16/63/43/1070166343.db2.gz CQFISLTZUQGYMW-CLJLJLNGSA-N 1 0 479.669 3.867 20 0 JHADRO COc1cc(C)c([C@@H](C)NC(=O)CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001307763201 1070172554 /nfs/dbraw/zinc/17/25/54/1070172554.db2.gz PHKKHDAICJKIPH-JIPXPUAJSA-N 1 0 451.611 3.787 20 0 JHADRO CC(C)(C)OC(=O)C1CCC(O)(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)CC1 ZINC001307760386 1070171710 /nfs/dbraw/zinc/17/17/10/1070171710.db2.gz USVZVBNKHQMRBM-ZOCBXBDSSA-N 1 0 458.643 3.853 20 0 JHADRO CCOCc1nnc(N2CCC(O)(Cc3cccc(C)c3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314350468 1070167635 /nfs/dbraw/zinc/16/76/35/1070167635.db2.gz XWPVPZOKCONGFP-DHIUTWEWSA-N 1 0 469.674 3.817 20 0 JHADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCc3cc(Cl)ccc3Br)CC2)CC1 ZINC001312914085 1070178287 /nfs/dbraw/zinc/17/82/87/1070178287.db2.gz LEQKXJBDXJDTGN-UHFFFAOYSA-N 1 0 457.844 3.803 20 0 JHADRO COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001307787037 1070181895 /nfs/dbraw/zinc/18/18/95/1070181895.db2.gz QBLIQSPUYXUCAU-INIZCTEOSA-N 1 0 450.320 3.803 20 0 JHADRO CCOCc1nnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001314359235 1070182113 /nfs/dbraw/zinc/18/21/13/1070182113.db2.gz VIDPLVPABIDLMO-KSEOMHKRSA-N 1 0 490.693 3.817 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314359703 1070182188 /nfs/dbraw/zinc/18/21/88/1070182188.db2.gz DOLJIWDZLWELHF-GOSISDBHSA-N 1 0 490.052 3.593 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001314362268 1070186581 /nfs/dbraw/zinc/18/65/81/1070186581.db2.gz XDQNNXJIAFTDCL-LJQANCHMSA-N 1 0 451.537 3.693 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001314363862 1070191189 /nfs/dbraw/zinc/19/11/89/1070191189.db2.gz DTIHAZFSZDSHNI-RTWAWAEBSA-N 1 0 478.682 3.676 20 0 JHADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC001307806931 1070192364 /nfs/dbraw/zinc/19/23/64/1070192364.db2.gz JZZDWRXGQSLCBJ-DLBZAZTESA-N 1 0 454.162 3.788 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1Cc1nccc(C(F)F)n1 ZINC001314365262 1070194100 /nfs/dbraw/zinc/19/41/00/1070194100.db2.gz LIPIACAQFNJHDX-ROUUACIJSA-N 1 0 463.577 3.681 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001314365911 1070196490 /nfs/dbraw/zinc/19/64/90/1070196490.db2.gz MXVODOXPDINVOK-FYYLOGMGSA-N 1 0 482.673 3.656 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001314365913 1070196547 /nfs/dbraw/zinc/19/65/47/1070196547.db2.gz MXVODOXPDINVOK-GGAORHGYSA-N 1 0 482.673 3.656 20 0 JHADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H]2C1 ZINC001307817602 1070197811 /nfs/dbraw/zinc/19/78/11/1070197811.db2.gz BZBHPXOWATZKQS-AFAVFJNCSA-N 1 0 451.411 3.899 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314367664 1070201574 /nfs/dbraw/zinc/20/15/74/1070201574.db2.gz KKWDFPZVMJIDQE-GOSISDBHSA-N 1 0 483.583 3.993 20 0 JHADRO COC(=O)c1cccc(OCC[N@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001307837356 1070205842 /nfs/dbraw/zinc/20/58/42/1070205842.db2.gz UTGJXNAJQIWBME-FCHUYYIVSA-N 1 0 458.530 3.984 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001314370522 1070207323 /nfs/dbraw/zinc/20/73/23/1070207323.db2.gz XPBKUVJOPXGOFX-VQTJNVASSA-N 1 0 464.655 3.525 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CC[NH+](CCC(=O)NCC3CCCCC3)CC2)C1 ZINC001307840503 1070207867 /nfs/dbraw/zinc/20/78/67/1070207867.db2.gz RSDQSLHULDGCSH-FCHUYYIVSA-N 1 0 451.652 3.857 20 0 JHADRO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)CCOc2ccccc2F)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307858246 1070213296 /nfs/dbraw/zinc/21/32/96/1070213296.db2.gz IXJOKZJZFAFWOZ-QRVBRYPASA-N 1 0 451.583 3.534 20 0 JHADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001312991567 1070214529 /nfs/dbraw/zinc/21/45/29/1070214529.db2.gz LWXSBTMHPVFOGZ-UHFFFAOYSA-N 1 0 459.418 3.736 20 0 JHADRO CCOCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001314377298 1070218729 /nfs/dbraw/zinc/21/87/29/1070218729.db2.gz DUEVQEKFIXFNES-UHFFFAOYSA-N 1 0 470.593 4.000 20 0 JHADRO C[C@H]1CC2(C[N@@H+]1Cc1ccc(S(=O)(=O)N(C)C)cc1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307866110 1070217459 /nfs/dbraw/zinc/21/74/59/1070217459.db2.gz VSUORLWQOIRTQT-SFHVURJKSA-N 1 0 451.633 3.548 20 0 JHADRO CCOCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001314377278 1070219102 /nfs/dbraw/zinc/21/91/02/1070219102.db2.gz DAGDTGZBSZRVGC-HXUWFJFHSA-N 1 0 498.569 3.550 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001313013210 1070221578 /nfs/dbraw/zinc/22/15/78/1070221578.db2.gz XRRLYJWJQZDEJA-GCJKJVERSA-N 1 0 458.603 3.775 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314382984 1070226342 /nfs/dbraw/zinc/22/63/42/1070226342.db2.gz IVDIPRSNNCKZCW-DWACAAAGSA-N 1 0 496.700 3.525 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314380978 1070223895 /nfs/dbraw/zinc/22/38/95/1070223895.db2.gz DJJPXKUKJOCABA-FGZHOGPDSA-N 1 0 482.673 3.534 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314384399 1070229401 /nfs/dbraw/zinc/22/94/01/1070229401.db2.gz WNJBXQXSZSYWMA-SZPZYZBQSA-N 1 0 488.721 3.800 20 0 JHADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001313036148 1070229786 /nfs/dbraw/zinc/22/97/86/1070229786.db2.gz FAHFYAFOYHIYQQ-QGZVFWFLSA-N 1 0 453.414 3.868 20 0 JHADRO CC1(c2ccc(Br)cc2)CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001313047756 1070235384 /nfs/dbraw/zinc/23/53/84/1070235384.db2.gz SCURQINMBROWBM-HXUWFJFHSA-N 1 0 450.421 3.766 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)CN1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccccc1 ZINC001307911083 1070236165 /nfs/dbraw/zinc/23/61/65/1070236165.db2.gz VNWFIBRXJNKKIT-QFIPXVFZSA-N 1 0 455.400 3.708 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC001313074903 1070241922 /nfs/dbraw/zinc/24/19/22/1070241922.db2.gz MPBFAEXTKDXUIS-INIZCTEOSA-N 1 0 451.415 3.779 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1ccc(OC)c(OCC)c1 ZINC001314389666 1070241927 /nfs/dbraw/zinc/24/19/27/1070241927.db2.gz CNMCUWGEFUAIOT-UHFFFAOYSA-N 1 0 457.619 3.725 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC001307927331 1070246616 /nfs/dbraw/zinc/24/66/16/1070246616.db2.gz AZIGEQPIHRGCAR-OPAMFIHVSA-N 1 0 453.421 3.906 20 0 JHADRO CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001313090558 1070247745 /nfs/dbraw/zinc/24/77/45/1070247745.db2.gz OKVDVMVUBNKKAD-NRFANRHFSA-N 1 0 456.660 3.778 20 0 JHADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NCc3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC001313083881 1070245054 /nfs/dbraw/zinc/24/50/54/1070245054.db2.gz FHIXJWPJYBMBQD-UHFFFAOYSA-N 1 0 450.627 3.966 20 0 JHADRO CCOCc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001314391075 1070245360 /nfs/dbraw/zinc/24/53/60/1070245360.db2.gz RULXSHYAXNTKJP-UHFFFAOYSA-N 1 0 462.589 3.684 20 0 JHADRO C[C@@H](N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001307940109 1070250963 /nfs/dbraw/zinc/25/09/63/1070250963.db2.gz XCYJRGVUTHXRIV-ODOSVJCGSA-N 1 0 461.528 3.680 20 0 JHADRO CCOCc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001314393763 1070251540 /nfs/dbraw/zinc/25/15/40/1070251540.db2.gz PEEAWZJPXDIKJR-JOCHJYFZSA-N 1 0 499.729 3.683 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001314394221 1070252106 /nfs/dbraw/zinc/25/21/06/1070252106.db2.gz RNYGGKWMBCUFMA-TUNNFDKTSA-N 1 0 477.694 3.734 20 0 JHADRO CCN(CCOC)c1cccc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)n1 ZINC001307942422 1070252110 /nfs/dbraw/zinc/25/21/10/1070252110.db2.gz WFOMOJRLOALJKF-LJQANCHMSA-N 1 0 456.553 3.567 20 0 JHADRO CCOCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@H](C)c1ccccc1 ZINC001314394210 1070252293 /nfs/dbraw/zinc/25/22/93/1070252293.db2.gz RDWMDVGNPWHRTN-QFIPXVFZSA-N 1 0 454.663 3.613 20 0 JHADRO CCOCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCc1nc(C)c(C)s1 ZINC001314396174 1070255078 /nfs/dbraw/zinc/25/50/78/1070255078.db2.gz IMTGNZXDZTWBDB-GOSISDBHSA-N 1 0 454.644 3.841 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)N[C@@H](CCO)C2CCCC2)cc1 ZINC001313134166 1070263794 /nfs/dbraw/zinc/26/37/94/1070263794.db2.gz YYQQOSICBSWGAO-KKUQBAQOSA-N 1 0 451.611 3.904 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@@]2(C)CCCC[C@H]2O)cc1 ZINC001313134143 1070263872 /nfs/dbraw/zinc/26/38/72/1070263872.db2.gz YJFKAFMBZQQICE-AMBDWCSGSA-N 1 0 451.611 3.904 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001313135266 1070264303 /nfs/dbraw/zinc/26/43/03/1070264303.db2.gz BSIZMHDPTMBJDB-SIKLNZKXSA-N 1 0 455.002 3.576 20 0 JHADRO CCOCc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001314406131 1070269452 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KFQHEHUJNPFOEW-UHFFFAOYSA-N 1 0 454.229 3.951 20 0 JHADRO Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CCCC[C@H]3CCC(=O)OC(C)(C)C)C2)cc1 ZINC001313169995 1070278920 /nfs/dbraw/zinc/27/89/20/1070278920.db2.gz PQOPSSZSORWSHE-GOTSBHOMSA-N 1 0 459.631 3.882 20 0 JHADRO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1CC(=O)NCc1ccccc1CN1CCCC1=O ZINC001308014117 1070280975 /nfs/dbraw/zinc/28/09/75/1070280975.db2.gz DKNRBHDKOVNDSG-AREMUKBSSA-N 1 0 455.549 3.801 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)C2)C1 ZINC001308032620 1070287130 /nfs/dbraw/zinc/28/71/30/1070287130.db2.gz CAGCNBBSYZPLQW-PSHVLCQKSA-N 1 0 458.521 3.527 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001314417689 1070284570 /nfs/dbraw/zinc/28/45/70/1070284570.db2.gz FENGHZSYHQNQBG-MOPGFXCFSA-N 1 0 480.028 3.959 20 0 JHADRO CCOC(=O)CS[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001313198559 1070290124 /nfs/dbraw/zinc/29/01/24/1070290124.db2.gz NYLZXJMBQRHIPJ-QGZVFWFLSA-N 1 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SFXIZPRFSGIUFW-UHFFFAOYSA-N 1 0 455.555 3.623 20 0 JHADRO CCN(C(=O)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001313294824 1070319519 /nfs/dbraw/zinc/31/95/19/1070319519.db2.gz DGHAMXBAZNAAKE-UHFFFAOYSA-N 1 0 450.505 3.832 20 0 JHADRO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](CCCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001308121031 1070319996 /nfs/dbraw/zinc/31/99/96/1070319996.db2.gz KDDSFVJBKSQLKM-DEOSSOPVSA-N 1 0 455.640 3.765 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001314434790 1070320518 /nfs/dbraw/zinc/32/05/18/1070320518.db2.gz HZYYADYFNLMPPV-NJDAHSKKSA-N 1 0 471.646 3.704 20 0 JHADRO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308124003 1070322257 /nfs/dbraw/zinc/32/22/57/1070322257.db2.gz GRTKYSSMFLHZJC-QRVBRYPASA-N 1 0 458.603 3.623 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)C1 ZINC001314435756 1070322517 /nfs/dbraw/zinc/32/25/17/1070322517.db2.gz 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458.400 3.812 20 0 JHADRO CCOCCC1(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001314447334 1070340818 /nfs/dbraw/zinc/34/08/18/1070340818.db2.gz CTETYMYYJGIFEA-PCCBWWKXSA-N 1 0 490.693 3.786 20 0 JHADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC001308210722 1070341067 /nfs/dbraw/zinc/34/10/67/1070341067.db2.gz KLFPKPLACBKCHK-UHFFFAOYSA-N 1 0 454.372 3.733 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3OCCN3CCOCC3)C[C@@H]2C1 ZINC001308227622 1070343422 /nfs/dbraw/zinc/34/34/22/1070343422.db2.gz OQDNUXXYDHJIQF-ZRBLBEILSA-N 1 0 459.631 3.523 20 0 JHADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)s1 ZINC001308250008 1070345371 /nfs/dbraw/zinc/34/53/71/1070345371.db2.gz NDIFSZRVFJCISO-UHFFFAOYSA-N 1 0 459.678 3.747 20 0 JHADRO CCOCCC1(Cn2c(N3CCC[N@@H+](C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001314450338 1070345955 /nfs/dbraw/zinc/34/59/55/1070345955.db2.gz YBDOJANCMJZFSD-SANMLTNESA-N 1 0 477.694 3.836 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001308256385 1070347127 /nfs/dbraw/zinc/34/71/27/1070347127.db2.gz MVMQQQJSXGPOMJ-WOJBJXKFSA-N 1 0 451.633 3.513 20 0 JHADRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(Br)c(F)c3)CC2)cc1OC ZINC001308263709 1070348243 /nfs/dbraw/zinc/34/82/43/1070348243.db2.gz CYUJDGGYMBHMOK-UHFFFAOYSA-N 1 0 451.336 4.000 20 0 JHADRO C[C@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001313400812 1070348478 /nfs/dbraw/zinc/34/84/78/1070348478.db2.gz IAHFYZORYQYUPX-FCJDFRRUSA-N 1 0 456.631 3.938 20 0 JHADRO Cc1nn(C(C)(C)C)c2nc(Cl)c(CNCc3ccc(C(=O)NCC[NH+](C)C)cc3)cc12 ZINC001308281133 1070351521 /nfs/dbraw/zinc/35/15/21/1070351521.db2.gz JBAVOXZVCTZPDX-UHFFFAOYSA-N 1 0 457.022 3.729 20 0 JHADRO CCOc1cc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)cc(Br)c1OCC(=O)N(C)C ZINC001308283979 1070352174 /nfs/dbraw/zinc/35/21/74/1070352174.db2.gz FWVLNHBYGJUDMC-UTKZUKDTSA-N 1 0 457.409 3.608 20 0 JHADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001313414993 1070352237 /nfs/dbraw/zinc/35/22/37/1070352237.db2.gz LAENWMYUFZMCAO-XZOQPEGZSA-N 1 0 458.647 3.982 20 0 JHADRO CN(C)C1(C[NH2+]Cc2cc(Br)cc(Br)c2N)Cc2ccccc2C1 ZINC001308286402 1070352361 /nfs/dbraw/zinc/35/23/61/1070352361.db2.gz RADPODGFXOCGAM-UHFFFAOYSA-N 1 0 453.222 3.983 20 0 JHADRO CN(C(=O)NCCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001313434345 1070359505 /nfs/dbraw/zinc/35/95/05/1070359505.db2.gz UVXHYOBZFRRUEQ-RPBOFIJWSA-N 1 0 454.590 3.682 20 0 JHADRO Cn1ccnc1[C@@H](NC(=O)N1CCCN(Cc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC001313421464 1070354873 /nfs/dbraw/zinc/35/48/73/1070354873.db2.gz PHXQAEGDQOBRPY-QFIPXVFZSA-N 1 0 457.500 3.844 20 0 JHADRO FC(F)(F)c1cccc(OCC[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)n1 ZINC001308355609 1070360743 /nfs/dbraw/zinc/36/07/43/1070360743.db2.gz ZATUEBIORIJELL-UHFFFAOYSA-N 1 0 459.896 3.633 20 0 JHADRO COc1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc(Br)c1OC(F)F ZINC001308384193 1070365073 /nfs/dbraw/zinc/36/50/73/1070365073.db2.gz FOZCTGZIWXRXGF-CXAGYDPISA-N 1 0 450.320 3.716 20 0 JHADRO C[C@@H](O)c1ncc(C[NH2+]C[C@@H]2CCCN2Cc2ccc(I)cc2)s1 ZINC001308385907 1070366014 /nfs/dbraw/zinc/36/60/14/1070366014.db2.gz QEUPRZXUEVCIKP-CJNGLKHVSA-N 1 0 457.381 3.555 20 0 JHADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2ncnn2-c2ccccc2)CC1 ZINC001308390025 1070366501 /nfs/dbraw/zinc/36/65/01/1070366501.db2.gz JVPOVSIZOKCQHY-UHFFFAOYSA-N 1 0 454.372 3.733 20 0 JHADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001308394157 1070367424 /nfs/dbraw/zinc/36/74/24/1070367424.db2.gz FSONMOZLEOOIIP-INIZCTEOSA-N 1 0 458.646 3.580 20 0 JHADRO COCC1(C[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001308401062 1070370517 /nfs/dbraw/zinc/37/05/17/1070370517.db2.gz HMQROXSFWFWUMB-UHFFFAOYSA-N 1 0 451.999 3.683 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001313448522 1070371711 /nfs/dbraw/zinc/37/17/11/1070371711.db2.gz JZNOSVXJGJYXNI-ZPFZUWPUSA-N 1 0 488.721 3.766 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313448545 1070371823 /nfs/dbraw/zinc/37/18/23/1070371823.db2.gz RWOGCNJHGKPEMN-HBMCJLEFSA-N 1 0 458.626 3.504 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001314464295 1070374172 /nfs/dbraw/zinc/37/41/72/1070374172.db2.gz CTFDBDIYAVTBHG-KRWDZBQOSA-N 1 0 451.413 3.525 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(F)c(F)c1 ZINC001313451730 1070380175 /nfs/dbraw/zinc/38/01/75/1070380175.db2.gz DFSQIGZLEKUGJP-FQEVSTJZSA-N 1 0 457.573 3.929 20 0 JHADRO CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1CC[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC001308455153 1070378039 /nfs/dbraw/zinc/37/80/39/1070378039.db2.gz DKVMMDXVBLENIS-MRXNPFEDSA-N 1 0 451.614 3.632 20 0 JHADRO CN(CCOCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)OC(C)(C)C ZINC001308469903 1070379413 /nfs/dbraw/zinc/37/94/13/1070379413.db2.gz ZTQUYOCHXPRUID-UHFFFAOYSA-N 1 0 451.571 3.907 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313451074 1070379338 /nfs/dbraw/zinc/37/93/38/1070379338.db2.gz UHNHAQSRVCVQOR-QHAWAJNXSA-N 1 0 476.666 3.888 20 0 JHADRO CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC001308493661 1070381602 /nfs/dbraw/zinc/38/16/02/1070381602.db2.gz YRSNNLLBKYLXDX-UHFFFAOYSA-N 1 0 455.393 3.506 20 0 JHADRO CCOCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314472179 1070382687 /nfs/dbraw/zinc/38/26/87/1070382687.db2.gz KGYLDXRMTBUWIT-RBUKOAKNSA-N 1 0 476.622 3.719 20 0 JHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(F)cc2I)cc1OC ZINC001308511436 1070383382 /nfs/dbraw/zinc/38/33/82/1070383382.db2.gz AVZWRAODCHFJJB-LJQANCHMSA-N 1 0 459.299 3.531 20 0 JHADRO CCOc1cc(C[NH2+]CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1O[C@@H](C)C(=O)N(C)C ZINC001308518718 1070384878 /nfs/dbraw/zinc/38/48/78/1070384878.db2.gz KFCVIAXZULJZPR-SVFBPWRDSA-N 1 0 477.646 3.924 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@]1(OCC)CCOC1 ZINC001313453087 1070384900 /nfs/dbraw/zinc/38/49/00/1070384900.db2.gz OOIPGPDHUACOHZ-URXFXBBRSA-N 1 0 463.573 3.719 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001313453447 1070385097 /nfs/dbraw/zinc/38/50/97/1070385097.db2.gz VRULTLPNKLZHPQ-MOPGFXCFSA-N 1 0 453.557 3.793 20 0 JHADRO COCC[C@H](C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)NC(=O)OC(C)(C)C ZINC001308571261 1070392475 /nfs/dbraw/zinc/39/24/75/1070392475.db2.gz RSINZAPHSKJIID-JOCHJYFZSA-N 1 0 459.631 3.819 20 0 JHADRO CCCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2CC[NH+](C(C)C)CC2)c1 ZINC001313455480 1070392839 /nfs/dbraw/zinc/39/28/39/1070392839.db2.gz DYBQHDLXOXWMHF-UHFFFAOYSA-N 1 0 466.655 3.649 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@](C)(O)CCC)c2ccccc2c1=O ZINC001313455680 1070393568 /nfs/dbraw/zinc/39/35/68/1070393568.db2.gz OFMIRBVCUXWDCF-HHHXNRCGSA-N 1 0 495.672 3.583 20 0 JHADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC001308583135 1070394318 /nfs/dbraw/zinc/39/43/18/1070394318.db2.gz IYIBOUAJKHDLLU-HOTGVXAUSA-N 1 0 452.466 3.891 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC[C@H](C)CC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001313456426 1070395853 /nfs/dbraw/zinc/39/58/53/1070395853.db2.gz XFHNNEVQNZNBJF-RBUKOAKNSA-N 1 0 451.619 3.642 20 0 JHADRO C[C@@H]1C[C@H](C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001308586588 1070395247 /nfs/dbraw/zinc/39/52/47/1070395247.db2.gz OEXGLAYDSULQQM-WOJBJXKFSA-N 1 0 454.656 3.507 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001308590958 1070396532 /nfs/dbraw/zinc/39/65/32/1070396532.db2.gz FOCZSYVFMALTMX-INIZCTEOSA-N 1 0 451.514 3.543 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001313457365 1070399064 /nfs/dbraw/zinc/39/90/64/1070399064.db2.gz DBDANQIDFJAVHD-GOTSBHOMSA-N 1 0 452.647 3.809 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)C)n2CC2([NH+]3CCSCC3)CCCC2)C1 ZINC001313458206 1070402348 /nfs/dbraw/zinc/40/23/48/1070402348.db2.gz STRLXMGADXOCKV-HXUWFJFHSA-N 1 0 462.708 3.506 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cnn1C ZINC001308620484 1070403482 /nfs/dbraw/zinc/40/34/82/1070403482.db2.gz WBJRXMMQNYNPBB-WIYYLYMNSA-N 1 0 456.587 3.978 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001313459178 1070405208 /nfs/dbraw/zinc/40/52/08/1070405208.db2.gz FQMVBRSDNOYEKB-JTHBVZDNSA-N 1 0 482.673 3.961 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001313460652 1070412151 /nfs/dbraw/zinc/41/21/51/1070412151.db2.gz SZXUKYUAAZGPGV-PMACEKPBSA-N 1 0 490.599 3.773 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2[C@H]2C[C@H](c3cccc(F)c3)C2)C[C@H]1CC ZINC001314494670 1070410611 /nfs/dbraw/zinc/41/06/11/1070410611.db2.gz WHQDYEXEYKHJSH-YMPZKCBVSA-N 1 0 486.636 3.611 20 0 JHADRO 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ZINC001308681277 1070416603 /nfs/dbraw/zinc/41/66/03/1070416603.db2.gz YXOQXUWAXOEFTG-HNNXBMFYSA-N 1 0 453.402 3.883 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C)cc2C)C[C@H]1CC ZINC001314497177 1070420501 /nfs/dbraw/zinc/42/05/01/1070420501.db2.gz ZIUQNXRAPQXIPW-HSZRJFAPSA-N 1 0 450.631 3.886 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCS2)C[C@H]1CC ZINC001314497780 1070421313 /nfs/dbraw/zinc/42/13/13/1070421313.db2.gz UZUYJORYMAAVOK-MSOLQXFVSA-N 1 0 497.507 3.868 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCC(F)(F)CC2)C[C@@H]1CC ZINC001314497981 1070422290 /nfs/dbraw/zinc/42/22/90/1070422290.db2.gz INVOPKCNUFFXAM-QFIPXVFZSA-N 1 0 493.647 3.902 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CC(C)(C)C2)C[C@H]1CC ZINC001314498480 1070423689 /nfs/dbraw/zinc/42/36/89/1070423689.db2.gz ORXAICAKBRPQPJ-JOCHJYFZSA-N 1 0 457.667 3.513 20 0 JHADRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001308715417 1070424516 /nfs/dbraw/zinc/42/45/16/1070424516.db2.gz VJLNSXHSJFKBJO-QHCPKHFHSA-N 1 0 452.617 3.833 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCCCCC2)C[C@H]1CC ZINC001314498602 1070424791 /nfs/dbraw/zinc/42/47/91/1070424791.db2.gz IWJHNGSDPOHATA-FGZHOGPDSA-N 1 0 463.667 3.542 20 0 JHADRO CC(C)(C)OC(=O)NC1(CC[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CCOCC1 ZINC001308722077 1070426093 /nfs/dbraw/zinc/42/60/93/1070426093.db2.gz WQOWTCUUOTVKIR-UHFFFAOYSA-N 1 0 454.011 3.730 20 0 JHADRO CC(C)(C)OC(=O)NC1(CC[NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 ZINC001308731940 1070427678 /nfs/dbraw/zinc/42/76/78/1070427678.db2.gz DHDDFDNCDKFPRI-UHFFFAOYSA-N 1 0 453.624 3.997 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@H]1CC ZINC001314499600 1070428080 /nfs/dbraw/zinc/42/80/80/1070428080.db2.gz POIHVKJZGVSNSF-OAHLLOKOSA-N 1 0 489.974 3.547 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CSCCS2)C[C@@H]1CC ZINC001314499928 1070428904 /nfs/dbraw/zinc/42/89/04/1070428904.db2.gz DVXDFBHBUUXSJR-RBUKOAKNSA-N 1 0 455.738 3.652 20 0 JHADRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001308747445 1070430013 /nfs/dbraw/zinc/43/00/13/1070430013.db2.gz QKKTTWQQAXLUPW-IBGZPJMESA-N 1 0 452.382 3.972 20 0 JHADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c1 ZINC001308753020 1070430868 /nfs/dbraw/zinc/43/08/68/1070430868.db2.gz ZGZMNVLGBZXCEJ-UHFFFAOYSA-N 1 0 459.356 3.850 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)C1 ZINC001308762386 1070432823 /nfs/dbraw/zinc/43/28/23/1070432823.db2.gz OLNPOYUULXALSA-DQEYMECFSA-N 1 0 456.587 3.648 20 0 JHADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CCO1 ZINC001308766210 1070433526 /nfs/dbraw/zinc/43/35/26/1070433526.db2.gz QUUVDFUBWSMADV-AEFFLSMTSA-N 1 0 451.380 3.754 20 0 JHADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2nc(Br)cs2)cc1Br ZINC001308769292 1070434346 /nfs/dbraw/zinc/43/43/46/1070434346.db2.gz DUNUXPUBFCLNDK-NSHDSACASA-N 1 0 450.196 3.618 20 0 JHADRO COc1cc(C[NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)ccc1OC(=O)C1CC1 ZINC001308772716 1070435556 /nfs/dbraw/zinc/43/55/56/1070435556.db2.gz YXUPIDPROWJGPW-UHFFFAOYSA-N 1 0 451.567 3.723 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001313465934 1070435859 /nfs/dbraw/zinc/43/58/59/1070435859.db2.gz QKNPGUKPLNROAH-BHIFYINESA-N 1 0 460.711 3.977 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCC(F)(F)C2)C[C@H]1CC ZINC001314501908 1070435944 /nfs/dbraw/zinc/43/59/44/1070435944.db2.gz SUCMBBSBSQPOBD-PWRODBHTSA-N 1 0 469.621 3.935 20 0 JHADRO CN(CC[N@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC001308786674 1070438173 /nfs/dbraw/zinc/43/81/73/1070438173.db2.gz ZTTVSHXXPMPBHW-UHFFFAOYSA-N 1 0 457.571 3.620 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1CC ZINC001314501928 1070436038 /nfs/dbraw/zinc/43/60/38/1070436038.db2.gz TYVPFKFNBOOAQR-IRXDYDNUSA-N 1 0 499.553 3.714 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001313466129 1070437166 /nfs/dbraw/zinc/43/71/66/1070437166.db2.gz KFOKZGKCRMPFSJ-BHIFYINESA-N 1 0 483.705 3.783 20 0 JHADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(N3CCN(c4ccccc4)CC3)CCOCC2)c1 ZINC001308765481 1070433440 /nfs/dbraw/zinc/43/34/40/1070433440.db2.gz NNQMOBBUCDZQKV-QHCPKHFHSA-N 1 0 450.627 3.673 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CF)C[C@H]1CC ZINC001314503456 1070440040 /nfs/dbraw/zinc/44/00/40/1070440040.db2.gz QQUXPCNWBVVXTP-WRTQPQOASA-N 1 0 494.656 3.516 20 0 JHADRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 ZINC001308811331 1070441170 /nfs/dbraw/zinc/44/11/70/1070441170.db2.gz MIZPIVGUTMFUDD-GZMOKQHVSA-N 1 0 459.587 3.816 20 0 JHADRO CCOCCOc1cc(C)ccc1Cn1c(CC(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001314503875 1070442062 /nfs/dbraw/zinc/44/20/62/1070442062.db2.gz WOYCRBLAGDRPFB-FYYLOGMGSA-N 1 0 455.647 3.922 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2cc(C3CN(C(=O)OC(C)(C)C)C3)no2)C1 ZINC001308820343 1070443578 /nfs/dbraw/zinc/44/35/78/1070443578.db2.gz JWBKFNUACOCRBO-WBVHZDCISA-N 1 0 450.580 3.792 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001314504353 1070443938 /nfs/dbraw/zinc/44/39/38/1070443938.db2.gz FRLYCBQCLSKDOV-UHFFFAOYSA-N 1 0 495.093 3.519 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001313467775 1070444557 /nfs/dbraw/zinc/44/45/57/1070444557.db2.gz SOFVKCLEGXMGTD-QHCPKHFHSA-N 1 0 452.647 3.810 20 0 JHADRO CC(C)[C@@H](C[NH2+]Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1)C(=O)OC(C)(C)C ZINC001308839742 1070445762 /nfs/dbraw/zinc/44/57/62/1070445762.db2.gz FTEDDDJEPBYYEQ-OAQYLSRUSA-N 1 0 457.596 3.977 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001314505036 1070446705 /nfs/dbraw/zinc/44/67/05/1070446705.db2.gz OXKUYNNGFHWNRD-UHFFFAOYSA-N 1 0 495.093 3.662 20 0 JHADRO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC001308848990 1070447602 /nfs/dbraw/zinc/44/76/02/1070447602.db2.gz KVSWFJFLSKPKFN-PMACEKPBSA-N 1 0 454.571 3.975 20 0 JHADRO COC(=O)c1ccc(COc2ccc(C[NH2+]CC[C@H]3COc4ccccc4O3)cc2OC)o1 ZINC001308823229 1070443668 /nfs/dbraw/zinc/44/36/68/1070443668.db2.gz MDQHRUAFHFYZCG-IBGZPJMESA-N 1 0 453.491 3.974 20 0 JHADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC1 ZINC001308853406 1070449217 /nfs/dbraw/zinc/44/92/17/1070449217.db2.gz GISBMWXRNYZGEH-UHFFFAOYSA-N 1 0 454.368 3.993 20 0 JHADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC001308877329 1070453488 /nfs/dbraw/zinc/45/34/88/1070453488.db2.gz QAJWJXZDVYZSGB-NRFANRHFSA-N 1 0 456.370 3.623 20 0 JHADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC001308895725 1070456686 /nfs/dbraw/zinc/45/66/86/1070456686.db2.gz SQPDKDHLOHDVKA-UHFFFAOYSA-N 1 0 453.509 3.898 20 0 JHADRO Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C2)cn1 ZINC001308907394 1070457555 /nfs/dbraw/zinc/45/75/55/1070457555.db2.gz WLMWEGAZHROKTN-ZWKOTPCHSA-N 1 0 450.624 3.718 20 0 JHADRO C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)O1 ZINC001308913761 1070459116 /nfs/dbraw/zinc/45/91/16/1070459116.db2.gz FCEFXBVPBUYTRG-HXAGEGRHSA-N 1 0 459.631 3.724 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001313471877 1070464413 /nfs/dbraw/zinc/46/44/13/1070464413.db2.gz SMFYHUUDMDTYLC-HXUWFJFHSA-N 1 0 477.657 3.966 20 0 JHADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(CC)C1=O ZINC001308949432 1070464520 /nfs/dbraw/zinc/46/45/20/1070464520.db2.gz QHVJAKOVHYJTHH-VQIMIIECSA-N 1 0 457.596 3.909 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001313472584 1070467304 /nfs/dbraw/zinc/46/73/04/1070467304.db2.gz OFQRENCKAYKEGR-NHCUHLMSSA-N 1 0 488.721 3.641 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314511103 1070468569 /nfs/dbraw/zinc/46/85/69/1070468569.db2.gz IMCRNGBGVKCFRB-NRFANRHFSA-N 1 0 479.735 3.926 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CC[N@@H+]2CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001308990497 1070471513 /nfs/dbraw/zinc/47/15/13/1070471513.db2.gz SCDOTIKFYRVQRN-UUOWRZLLSA-N 1 0 453.624 3.830 20 0 JHADRO CCCNC(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001313475645 1070476604 /nfs/dbraw/zinc/47/66/04/1070476604.db2.gz AERQAGRNAPXYEX-NRFANRHFSA-N 1 0 496.700 3.848 20 0 JHADRO CCCNC(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001313478192 1070488115 /nfs/dbraw/zinc/48/81/15/1070488115.db2.gz PWLWHOINFFHEEB-JOCHJYFZSA-N 1 0 452.647 3.833 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314515928 1070488308 /nfs/dbraw/zinc/48/83/08/1070488308.db2.gz HSLBYZILOOGISS-XUZZJYLKSA-N 1 0 496.681 3.745 20 0 JHADRO CCc1oc(C(=O)OC)cc1S(=O)(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC001309036765 1070500374 /nfs/dbraw/zinc/50/03/74/1070500374.db2.gz GIVOKHLNMUHZKO-UHFFFAOYSA-N 1 0 456.564 3.836 20 0 JHADRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)C[C@H]2COc3ccccc3O2)cc1 ZINC001309037348 1070500527 /nfs/dbraw/zinc/50/05/27/1070500527.db2.gz QJGCQYGGXSEPHD-JOCHJYFZSA-N 1 0 452.576 3.675 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314521385 1070507139 /nfs/dbraw/zinc/50/71/39/1070507139.db2.gz SIKHYNXFCDRHIG-NRFANRHFSA-N 1 0 473.643 3.683 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314520132 1070503874 /nfs/dbraw/zinc/50/38/74/1070503874.db2.gz BZNPREHXPZVQBS-RTBURBONSA-N 1 0 497.656 3.527 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314521349 1070507240 /nfs/dbraw/zinc/50/72/40/1070507240.db2.gz ZXLFKXLNKOVXLG-AQNXPRMDSA-N 1 0 486.686 3.806 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314521324 1070507307 /nfs/dbraw/zinc/50/73/07/1070507307.db2.gz QSJGKOMDYCGXGB-NRFANRHFSA-N 1 0 482.094 3.980 20 0 JHADRO CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001313489972 1070510347 /nfs/dbraw/zinc/51/03/47/1070510347.db2.gz PDOHTFOEGIARFM-OKZBNKHCSA-N 1 0 458.676 3.577 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1ncsc1Br ZINC001309057035 1070512835 /nfs/dbraw/zinc/51/28/35/1070512835.db2.gz VCFVXHJVAUAKOE-CQSZACIVSA-N 1 0 458.447 3.900 20 0 JHADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)c2cncc(Br)c2)C1 ZINC001309061019 1070514564 /nfs/dbraw/zinc/51/45/64/1070514564.db2.gz DYUCGTSFVXAOMG-HOTGVXAUSA-N 1 0 452.418 3.801 20 0 JHADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3ncccc3Br)cc2)C1 ZINC001309063066 1070516525 /nfs/dbraw/zinc/51/65/25/1070516525.db2.gz FGCDQZJMFJAAID-HOTGVXAUSA-N 1 0 452.418 3.801 20 0 JHADRO CCCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313497340 1070518124 /nfs/dbraw/zinc/51/81/24/1070518124.db2.gz OGKKTZZYIUUYGK-WMZHIEFXSA-N 1 0 495.697 3.649 20 0 JHADRO CCCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001313498542 1070519122 /nfs/dbraw/zinc/51/91/22/1070519122.db2.gz QAAOXDVUIQAQIJ-HSZRJFAPSA-N 1 0 482.673 3.640 20 0 JHADRO CCCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001313498835 1070519999 /nfs/dbraw/zinc/51/99/99/1070519999.db2.gz ZFXGATDXRHQYEI-JOCHJYFZSA-N 1 0 482.673 3.880 20 0 JHADRO CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4C)CC3)cc21 ZINC001309070953 1070522596 /nfs/dbraw/zinc/52/25/96/1070522596.db2.gz LASARUZMZXNUKM-LJQANCHMSA-N 1 0 455.624 3.798 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2Cc2cc(C)nn2C)cc1OC ZINC001313501746 1070525949 /nfs/dbraw/zinc/52/59/49/1070525949.db2.gz HGSCBMMIYSKFQA-WOJBJXKFSA-N 1 0 481.645 3.752 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@](C)(O)C2CC2)cc1OC ZINC001313503998 1070536040 /nfs/dbraw/zinc/53/60/40/1070536040.db2.gz VFRUKEIFVIKZIB-DGUDUIIESA-N 1 0 471.646 3.822 20 0 JHADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001309100024 1070539764 /nfs/dbraw/zinc/53/97/64/1070539764.db2.gz KUTJUUXHORRVQQ-KBPBESRZSA-N 1 0 450.523 3.527 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1OC ZINC001313505682 1070545151 /nfs/dbraw/zinc/54/51/51/1070545151.db2.gz LQKQTOARQRRVHF-KBMIEXCESA-N 1 0 489.686 3.795 20 0 JHADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc2c1OCCCO2 ZINC001309128124 1070553756 /nfs/dbraw/zinc/55/37/56/1070553756.db2.gz VUOJKCRCJVKYOJ-UHFFFAOYSA-N 1 0 458.502 3.619 20 0 JHADRO CCCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)cc1 ZINC001313508869 1070556534 /nfs/dbraw/zinc/55/65/34/1070556534.db2.gz BHBGIWJCAFZZKQ-NRFANRHFSA-N 1 0 464.614 3.643 20 0 JHADRO 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JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(Cc2ccccc2F)nnc1N(C)C1CCCCC1 ZINC001314627878 1070722208 /nfs/dbraw/zinc/72/22/08/1070722208.db2.gz DCJGNFRZNKBNPD-HSZRJFAPSA-N 1 0 470.637 3.720 20 0 JHADRO CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H](C)[NH+](C)C)[C@H](C)C1CCC1 ZINC001313599679 1070724252 /nfs/dbraw/zinc/72/42/52/1070724252.db2.gz WWDUBQPQHRCBCC-ZWKOTPCHSA-N 1 0 451.619 3.640 20 0 JHADRO CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1)C1CC1 ZINC001313602083 1070725167 /nfs/dbraw/zinc/72/51/67/1070725167.db2.gz HXDPNMVUGKZADP-HXUWFJFHSA-N 1 0 490.693 3.617 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(CC(C)(C)C)nnc1N1C[C@@H]2CCCCCC[C@@H]21 ZINC001314630320 1070730643 /nfs/dbraw/zinc/73/06/43/1070730643.db2.gz XCNGKMPGVXPGKM-FKBYEOEOSA-N 1 0 458.695 3.968 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N2CCC[C@@H](Oc3ccccc3)C2)nnc1C(C)(C)C ZINC001314629136 1070726156 /nfs/dbraw/zinc/72/61/56/1070726156.db2.gz NHRLCXJRIMOQAG-PKTZIBPZSA-N 1 0 482.673 3.566 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2ccccc2Br)nnc1N(C)C1CCC1 ZINC001314629679 1070727930 /nfs/dbraw/zinc/72/79/30/1070727930.db2.gz RJJGOMWRGWKZAW-HXUWFJFHSA-N 1 0 489.462 3.639 20 0 JHADRO CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001313604695 1070728277 /nfs/dbraw/zinc/72/82/77/1070728277.db2.gz MINMIYJQZRTLND-HSZRJFAPSA-N 1 0 462.646 3.990 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N(Cc2ccccc2)C[C@@H]2CCCO2)nnc1C(C)(C)C ZINC001314630021 1070729291 /nfs/dbraw/zinc/72/92/91/1070729291.db2.gz VBHPNKRENNUKEB-BJKOFHAPSA-N 1 0 496.700 3.704 20 0 JHADRO CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313609059 1070733436 /nfs/dbraw/zinc/73/34/36/1070733436.db2.gz GMRMNYOMSDDEKF-NRFANRHFSA-N 1 0 494.105 3.800 20 0 JHADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC(C)(C)[C@H](O)C(C)C)cc1 ZINC001309372572 1070731172 /nfs/dbraw/zinc/73/11/72/1070731172.db2.gz CZCVFHJNGKQCLT-ISJGIBHGSA-N 1 0 458.668 3.926 20 0 JHADRO C[C@@H](CCNS(=O)(=O)c1ccc(Br)cc1Br)[NH+]1CCCCC1 ZINC001309394416 1070743360 /nfs/dbraw/zinc/74/33/60/1070743360.db2.gz XZLWORCIQVKKQM-LBPRGKRZSA-N 1 0 454.228 3.754 20 0 JHADRO CCN(c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC001313619244 1070744676 /nfs/dbraw/zinc/74/46/76/1070744676.db2.gz JHDSQJNJPRYBDH-XMMPIXPASA-N 1 0 459.660 3.805 20 0 JHADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC001309403475 1070749426 /nfs/dbraw/zinc/74/94/26/1070749426.db2.gz VOWMOVRMQBPPEX-FOIQADDNSA-N 1 0 455.418 3.877 20 0 JHADRO Cn1cc(Br)cc1-c1nnc(N2CCSCC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001314646802 1070747420 /nfs/dbraw/zinc/74/74/20/1070747420.db2.gz DFJMZUHLBQWWEG-LJQANCHMSA-N 1 0 475.460 3.902 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)CC1)C1CCCCC1 ZINC001314647799 1070750809 /nfs/dbraw/zinc/75/08/09/1070750809.db2.gz FPJBYBBJXOFMCA-HXUWFJFHSA-N 1 0 468.042 3.817 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)C1CC1 ZINC001314648387 1070752456 /nfs/dbraw/zinc/75/24/56/1070752456.db2.gz JGOVPJBSGYNYGK-LAUBAEHRSA-N 1 0 486.970 3.863 20 0 JHADRO Cn1cc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cn1 ZINC001314649013 1070753682 /nfs/dbraw/zinc/75/36/82/1070753682.db2.gz KMHHKMMJIUHYRD-OALUTQOASA-N 1 0 457.648 3.827 20 0 JHADRO CN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1cccc(F)c1)[NH+](C)C)C1CC1 ZINC001314649426 1070756212 /nfs/dbraw/zinc/75/62/12/1070756212.db2.gz BDTJVCPTAXSHTR-LEWJYISDSA-N 1 0 488.608 3.627 20 0 JHADRO CCN(C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1)S(C)(=O)=O ZINC001313626951 1070756271 /nfs/dbraw/zinc/75/62/71/1070756271.db2.gz MNNIZCRLTPKCAM-QHCPKHFHSA-N 1 0 494.750 3.524 20 0 JHADRO COC(=O)c1ccc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)cc1C(F)(F)F ZINC001309420532 1070759243 /nfs/dbraw/zinc/75/92/43/1070759243.db2.gz SALNPXSTNIAOMY-UHFFFAOYSA-N 1 0 450.523 3.767 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1cccs1 ZINC001314650806 1070759463 /nfs/dbraw/zinc/75/94/63/1070759463.db2.gz UFAKNWBWJRTMRG-DYESRHJHSA-N 1 0 495.575 3.629 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccsc1 ZINC001314653805 1070767106 /nfs/dbraw/zinc/76/71/06/1070767106.db2.gz HHQHBQFTMAHGKQ-IBGZPJMESA-N 1 0 460.648 3.652 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(CCS(C)(=O)=O)C2CC2)CCCC1 ZINC001314654313 1070768238 /nfs/dbraw/zinc/76/82/38/1070768238.db2.gz YOFWHRYIGSDVOM-UHFFFAOYSA-N 1 0 484.041 3.625 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@@H](CCO)Cc2ccccc2)cc1 ZINC001309435814 1070768555 /nfs/dbraw/zinc/76/85/55/1070768555.db2.gz XCPKSECEDZTTKM-HZFUHODCSA-N 1 0 478.658 3.876 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314656784 1070775733 /nfs/dbraw/zinc/77/57/33/1070775733.db2.gz SMHJDKPFIIMBGF-ICSRJNTNSA-N 1 0 474.675 3.622 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314655039 1070770946 /nfs/dbraw/zinc/77/09/46/1070770946.db2.gz ZNOPOZQLCMLUKA-NJDAHSKKSA-N 1 0 488.608 3.675 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccsc1 ZINC001314655589 1070772668 /nfs/dbraw/zinc/77/26/68/1070772668.db2.gz QTSHDCSVJFBQSN-IRLDBZIGSA-N 1 0 466.655 3.520 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)C1CCCCC1 ZINC001314657343 1070776314 /nfs/dbraw/zinc/77/63/14/1070776314.db2.gz XXDZKKHTZFQLDS-BJKOFHAPSA-N 1 0 495.716 3.906 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001314656114 1070774637 /nfs/dbraw/zinc/77/46/37/1070774637.db2.gz PFIGUVKPSRLKGD-RTWAWAEBSA-N 1 0 495.628 3.653 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC001314657668 1070777211 /nfs/dbraw/zinc/77/72/11/1070777211.db2.gz ZRAKXQAQOWNXSD-NRFANRHFSA-N 1 0 495.628 3.653 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(N3CCN(c4ccccc4Cl)CC3)nnc2C(C)(C)C)CCSC1 ZINC001314660500 1070784396 /nfs/dbraw/zinc/78/43/96/1070784396.db2.gz PSIPUYITBBLGRD-QHCPKHFHSA-N 1 0 463.095 3.993 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001314662504 1070790007 /nfs/dbraw/zinc/79/00/07/1070790007.db2.gz FWKFVIFAOBKRCJ-UHFFFAOYSA-N 1 0 485.995 3.574 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001314663706 1070792989 /nfs/dbraw/zinc/79/29/89/1070792989.db2.gz YEBVOBOZFLCKCJ-GOSISDBHSA-N 1 0 490.096 3.960 20 0 JHADRO CCN(CC)C(=O)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001313645204 1070800778 /nfs/dbraw/zinc/80/07/78/1070800778.db2.gz ODGCFCBIYUBLNW-CQOQZXRMSA-N 1 0 488.721 3.910 20 0 JHADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC001309474111 1070793583 /nfs/dbraw/zinc/79/35/83/1070793583.db2.gz LSZKPIGYBSSHDG-UHFFFAOYSA-N 1 0 450.988 3.837 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001314664576 1070794917 /nfs/dbraw/zinc/79/49/17/1070794917.db2.gz AUFOVFGBRQVOSV-OAQYLSRUSA-N 1 0 456.541 3.784 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001314665222 1070796691 /nfs/dbraw/zinc/79/66/91/1070796691.db2.gz LZEIEPZLDVQONB-SFHVURJKSA-N 1 0 459.639 3.602 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001314665464 1070797064 /nfs/dbraw/zinc/79/70/64/1070797064.db2.gz HGDQVBFKMTXFOL-LJQANCHMSA-N 1 0 490.578 3.909 20 0 JHADRO Cn1nccc1[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314666396 1070798851 /nfs/dbraw/zinc/79/88/51/1070798851.db2.gz QHLXAZQIGSEMBY-OAQYLSRUSA-N 1 0 465.646 3.605 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001314666236 1070798951 /nfs/dbraw/zinc/79/89/51/1070798951.db2.gz VLPBUJDTUKUEFF-UHFFFAOYSA-N 1 0 455.557 3.533 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667692 1070802246 /nfs/dbraw/zinc/80/22/46/1070802246.db2.gz QIQAUABUAMHJDY-HXUWFJFHSA-N 1 0 455.006 3.966 20 0 JHADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC001309488586 1070803523 /nfs/dbraw/zinc/80/35/23/1070803523.db2.gz LORFQCCQNPMXDP-UHFFFAOYSA-N 1 0 458.027 3.932 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001314668345 1070804636 /nfs/dbraw/zinc/80/46/36/1070804636.db2.gz GVQZTYAOUFDNJA-UHFFFAOYSA-N 1 0 498.672 3.713 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001314668858 1070806025 /nfs/dbraw/zinc/80/60/25/1070806025.db2.gz RDXAFVNEJUARQO-QFIPXVFZSA-N 1 0 498.672 3.713 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)C[NH+](C)C ZINC001314669035 1070806839 /nfs/dbraw/zinc/80/68/39/1070806839.db2.gz XOGGBDHALZOMDX-LJQANCHMSA-N 1 0 463.026 3.836 20 0 JHADRO C[NH+](C)CCCOc1ccc(Cn2c(N3CCC(O)(C(F)(F)F)CC3)nnc2C(C)(C)C)cc1 ZINC001314669388 1070807158 /nfs/dbraw/zinc/80/71/58/1070807158.db2.gz DOSYDMIWJPPIMJ-UHFFFAOYSA-N 1 0 483.579 3.848 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)nnc1C(C)(C)C ZINC001314669220 1070807887 /nfs/dbraw/zinc/80/78/87/1070807887.db2.gz YCCSONQIKUEGOZ-OAQYLSRUSA-N 1 0 498.716 3.943 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(Cc3ccsc3)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001314669479 1070808283 /nfs/dbraw/zinc/80/82/83/1070808283.db2.gz HKDHZXYTZAOXHL-OAQYLSRUSA-N 1 0 456.704 3.997 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001314669980 1070810601 /nfs/dbraw/zinc/81/06/01/1070810601.db2.gz HZJAHIIBUFELTI-QHCPKHFHSA-N 1 0 494.478 3.927 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(Cc3ccccc3F)nnc2N2CCSC(C)(C)C2)CC1 ZINC001314670791 1070811007 /nfs/dbraw/zinc/81/10/07/1070811007.db2.gz OUQSDZRGZRAIEN-UHFFFAOYSA-N 1 0 474.694 3.613 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCN(CC(F)(F)F)CC2)cc1 ZINC001314672556 1070817810 /nfs/dbraw/zinc/81/78/10/1070817810.db2.gz TWLJGEWYFQEFHT-UHFFFAOYSA-N 1 0 496.622 3.734 20 0 JHADRO C[NH+](C)CCOCCn1c(C2CC2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001314671538 1070815043 /nfs/dbraw/zinc/81/50/43/1070815043.db2.gz SJPAVAAJPMYYDO-LJQANCHMSA-N 1 0 454.402 3.618 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c([C@H]3CCOC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)cc1 ZINC001314671677 1070815109 /nfs/dbraw/zinc/81/51/09/1070815109.db2.gz NQMIRZHZFYVNKO-UPVQGACJSA-N 1 0 485.673 3.749 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001313651811 1070827615 /nfs/dbraw/zinc/82/76/15/1070827615.db2.gz AAMFRJLJTJCGAS-NRFANRHFSA-N 1 0 482.633 3.533 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CCCOC[C@@H]1CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314676666 1070822295 /nfs/dbraw/zinc/82/22/95/1070822295.db2.gz KLZMCZQTCRVEQL-GOTSBHOMSA-N 1 0 455.647 3.872 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001313651452 1070826434 /nfs/dbraw/zinc/82/64/34/1070826434.db2.gz FNTRADJHIQNXJG-SFHVURJKSA-N 1 0 452.594 3.650 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001313653146 1070832121 /nfs/dbraw/zinc/83/21/21/1070832121.db2.gz NJMPHQVSJJQSHV-UHFFFAOYSA-N 1 0 482.677 3.579 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3F)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001313653120 1070832264 /nfs/dbraw/zinc/83/22/64/1070832264.db2.gz MMRQCYLXLVDHAH-OAQYLSRUSA-N 1 0 483.592 3.564 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001313653536 1070833655 /nfs/dbraw/zinc/83/36/55/1070833655.db2.gz RLLVQBWKTCWJGH-OAQYLSRUSA-N 1 0 474.053 3.523 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001313655031 1070841984 /nfs/dbraw/zinc/84/19/84/1070841984.db2.gz RTQMAZSRTULVSQ-UHFFFAOYSA-N 1 0 481.689 3.959 20 0 JHADRO CCc1ccc([C@@H](CNS(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)[NH+](CC)CC)cc1 ZINC001309543488 1070842468 /nfs/dbraw/zinc/84/24/68/1070842468.db2.gz PXNDBGQHXPNFTP-HXUWFJFHSA-N 1 0 450.576 3.845 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001313655382 1070844435 /nfs/dbraw/zinc/84/44/35/1070844435.db2.gz WLSHNVBVOGFQNH-FGZHOGPDSA-N 1 0 497.688 3.658 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2CCCC2)CC1 ZINC001313655664 1070846134 /nfs/dbraw/zinc/84/61/34/1070846134.db2.gz UFYQJEZYSAJWAP-UHFFFAOYSA-N 1 0 497.688 3.544 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001313655985 1070848163 /nfs/dbraw/zinc/84/81/63/1070848163.db2.gz CDOQVSABQKBNRP-GCJKJVERSA-N 1 0 489.661 3.953 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cnccn2)CC1 ZINC001313656026 1070848274 /nfs/dbraw/zinc/84/82/74/1070848274.db2.gz CVPVHIQPWWFDIH-PMACEKPBSA-N 1 0 499.063 3.918 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)OC1CCCC1 ZINC001313656537 1070850405 /nfs/dbraw/zinc/85/04/05/1070850405.db2.gz JFWTVAJWWYSTOM-QGZVFWFLSA-N 1 0 477.679 3.587 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(F)F)C1 ZINC001313656798 1070852228 /nfs/dbraw/zinc/85/22/28/1070852228.db2.gz LQNLXJMJVSCEPA-AEFFLSMTSA-N 1 0 497.660 3.758 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1CC1([S@](C)=O)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314692364 1070852730 /nfs/dbraw/zinc/85/27/30/1070852730.db2.gz AGICNOHSHFAFAA-MNAQKMTRSA-N 1 0 457.688 3.879 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001313656874 1070853238 /nfs/dbraw/zinc/85/32/38/1070853238.db2.gz HDKLTWRDKKHFNW-NVXWUHKLSA-N 1 0 465.429 3.793 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313656997 1070853561 /nfs/dbraw/zinc/85/35/61/1070853561.db2.gz NIILFBGPUVQTDY-GIVPXCGWSA-N 1 0 457.619 3.765 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001313657056 1070853948 /nfs/dbraw/zinc/85/39/48/1070853948.db2.gz IGYLAEDZHQYAII-SZNDQCEHSA-N 1 0 497.869 3.793 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001313657668 1070856085 /nfs/dbraw/zinc/85/60/85/1070856085.db2.gz NIMNXFRUWDUZKD-RDJZCZTQSA-N 1 0 488.485 3.996 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313657833 1070857465 /nfs/dbraw/zinc/85/74/65/1070857465.db2.gz VKSDWCMVCLIBRQ-UNMCSNQZSA-N 1 0 492.672 3.807 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001313657926 1070857618 /nfs/dbraw/zinc/85/76/18/1070857618.db2.gz ADQKPJLFOMRBHF-NRFANRHFSA-N 1 0 465.646 3.643 20 0 JHADRO CN(c1nnc(Cc2ccccn2)n1CCC(=O)NC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314695291 1070857933 /nfs/dbraw/zinc/85/79/33/1070857933.db2.gz GMEQWHKDJLGFRO-DEOSSOPVSA-N 1 0 489.668 3.670 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001313657955 1070858413 /nfs/dbraw/zinc/85/84/13/1070858413.db2.gz WABICGUPEJCOPN-LPWQTFTOSA-N 1 0 477.993 3.916 20 0 JHADRO Cc1cnn(-c2ccc(S(=O)(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)cc2F)c1 ZINC001309562251 1070859103 /nfs/dbraw/zinc/85/91/03/1070859103.db2.gz XHBYPUNJFBYBHL-NRFANRHFSA-N 1 0 456.587 3.900 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001313659849 1070864464 /nfs/dbraw/zinc/86/44/64/1070864464.db2.gz LROHNMPYQGEAEM-RXVVDRJESA-N 1 0 483.617 3.768 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313659982 1070864046 /nfs/dbraw/zinc/86/40/46/1070864046.db2.gz MVCSFKYQPVNLGI-DFBJGRDBSA-N 1 0 457.619 3.842 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001313660711 1070866119 /nfs/dbraw/zinc/86/61/19/1070866119.db2.gz UJUCDUGPSPFFAP-HXUWFJFHSA-N 1 0 470.662 3.767 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(F)F)CC1 ZINC001313661596 1070868237 /nfs/dbraw/zinc/86/82/37/1070868237.db2.gz YKBDUZZNUASETK-SFHVURJKSA-N 1 0 457.573 3.611 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313661684 1070869155 /nfs/dbraw/zinc/86/91/55/1070869155.db2.gz HVDNWVDREFOVBH-NLFFAJNJSA-N 1 0 451.619 3.866 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001313662565 1070870686 /nfs/dbraw/zinc/87/06/86/1070870686.db2.gz UUHIFWFBTMFEBN-RBUKOAKNSA-N 1 0 484.599 3.627 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC001313663772 1070874331 /nfs/dbraw/zinc/87/43/31/1070874331.db2.gz HRYLXOBFBAWWFD-UPVQGACJSA-N 1 0 492.672 3.617 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCS[C@@H](C)[C@@H]1C)c1ccsc1 ZINC001313663792 1070874573 /nfs/dbraw/zinc/87/45/73/1070874573.db2.gz HXHDAFQRXQHZJC-CMKODMSKSA-N 1 0 476.716 3.989 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1)c1ccco1 ZINC001313664060 1070875061 /nfs/dbraw/zinc/87/50/61/1070875061.db2.gz KMHKDKMDCNERRN-HSZRJFAPSA-N 1 0 499.704 3.602 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1([NH+](C)C)CCOCC1 ZINC001314706506 1070876469 /nfs/dbraw/zinc/87/64/69/1070876469.db2.gz CTTWXRVOJQSFSB-UHFFFAOYSA-N 1 0 497.471 3.714 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1)c1ccccc1 ZINC001313665774 1070881040 /nfs/dbraw/zinc/88/10/40/1070881040.db2.gz UJMGCEVEQCZJMO-ISKFKSNPSA-N 1 0 454.663 3.643 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001313665446 1070879958 /nfs/dbraw/zinc/87/99/58/1070879958.db2.gz CHGBDZAVNHMWKQ-YLJYHZDGSA-N 1 0 474.606 3.761 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001313665974 1070882329 /nfs/dbraw/zinc/88/23/29/1070882329.db2.gz FPIRCVKHEIKEGV-VNZMSGEBSA-N 1 0 462.038 3.697 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](OC)C(C)(C)C1)c1ccsc1 ZINC001313666470 1070884877 /nfs/dbraw/zinc/88/48/77/1070884877.db2.gz XEPSLADIHAYEAQ-VQTJNVASSA-N 1 0 497.669 3.931 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001313666693 1070885754 /nfs/dbraw/zinc/88/57/54/1070885754.db2.gz IKHVXPBJANOEGB-QHGAOEGBSA-N 1 0 476.616 3.761 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1)c1ccco1 ZINC001313666866 1070886449 /nfs/dbraw/zinc/88/64/49/1070886449.db2.gz YFJPBIBSCOOHQQ-RTWAWAEBSA-N 1 0 465.602 3.821 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001314710153 1070887126 /nfs/dbraw/zinc/88/71/26/1070887126.db2.gz NCKZPPOBOCMBBE-NHCUHLMSSA-N 1 0 460.667 3.668 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001313667415 1070888634 /nfs/dbraw/zinc/88/86/34/1070888634.db2.gz XYBJBSHRBIQDGH-HKBOAZHASA-N 1 0 460.692 3.847 20 0 JHADRO CN(CC(C)(C)C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001314710312 1070889049 /nfs/dbraw/zinc/88/90/49/1070889049.db2.gz RNNHVNQMDHTGFQ-QFIPXVFZSA-N 1 0 475.641 3.972 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313667942 1070890731 /nfs/dbraw/zinc/89/07/31/1070890731.db2.gz MQVWRYJHNLRVTH-PMACEKPBSA-N 1 0 474.675 3.886 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001313668603 1070892117 /nfs/dbraw/zinc/89/21/17/1070892117.db2.gz RRWSRKITYALPAT-QHCPKHFHSA-N 1 0 481.689 3.636 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(CC2CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314711673 1070892934 /nfs/dbraw/zinc/89/29/34/1070892934.db2.gz KPXXRMVNDCXYAK-IBGZPJMESA-N 1 0 474.581 3.948 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001313669078 1070894273 /nfs/dbraw/zinc/89/42/73/1070894273.db2.gz ASPIZBYSZLELTP-QGZVFWFLSA-N 1 0 457.648 3.910 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 ZINC001313669062 1070894361 /nfs/dbraw/zinc/89/43/61/1070894361.db2.gz AKEWMXATQMXQMD-XDHUDOTRSA-N 1 0 472.634 3.601 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001313669716 1070894745 /nfs/dbraw/zinc/89/47/45/1070894745.db2.gz XWVGITWSLUAETH-ROUUACIJSA-N 1 0 457.573 3.605 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCOCC1 ZINC001313669571 1070894937 /nfs/dbraw/zinc/89/49/37/1070894937.db2.gz VFWCEZMZGQNVKJ-FPOVZHCZSA-N 1 0 478.682 3.943 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C(C)C)C1)c1ccsc1 ZINC001313671392 1070899633 /nfs/dbraw/zinc/89/96/33/1070899633.db2.gz IJKXLVKJGMUJTB-NHCUHLMSSA-N 1 0 455.632 3.741 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C2CC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC001313671350 1070899660 /nfs/dbraw/zinc/89/96/60/1070899660.db2.gz HSEGSJKAVZCKKI-QFIPXVFZSA-N 1 0 467.662 3.869 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)OC)CC1)c1ccccc1 ZINC001313670578 1070897650 /nfs/dbraw/zinc/89/76/50/1070897650.db2.gz AAQHHKKCCFCKPC-QFIPXVFZSA-N 1 0 450.587 3.746 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@](C)(C(=O)NC)C1)c1ccccc1 ZINC001313670788 1070897902 /nfs/dbraw/zinc/89/79/02/1070897902.db2.gz BUDMMHRBCNGIKM-HOFKKMOUSA-N 1 0 475.641 3.694 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001313670798 1070898005 /nfs/dbraw/zinc/89/80/05/1070898005.db2.gz MGSCSNXYZONTFA-PMVMPFDFSA-N 1 0 497.688 3.830 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 ZINC001313670840 1070898145 /nfs/dbraw/zinc/89/81/45/1070898145.db2.gz CPCDSDKDSQMBBX-QHCPKHFHSA-N 1 0 490.656 3.513 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CC(N)=O)C1)c1ccsc1 ZINC001313670847 1070898201 /nfs/dbraw/zinc/89/82/01/1070898201.db2.gz CUISYYFYPWYMLW-DENIHFKCSA-N 1 0 481.670 3.885 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCSC(C)(C)C1)c1ccccc1 ZINC001313670825 1070898364 /nfs/dbraw/zinc/89/83/64/1070898364.db2.gz CIRHRQGTDRWMEI-VQTJNVASSA-N 1 0 456.660 3.644 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001313671547 1070900181 /nfs/dbraw/zinc/90/01/81/1070900181.db2.gz RLSKQNKNVDDTBL-GCJKJVERSA-N 1 0 470.691 3.786 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001313671504 1070900214 /nfs/dbraw/zinc/90/02/14/1070900214.db2.gz QOJHQCBOLCFKEQ-LJQANCHMSA-N 1 0 453.635 3.751 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)F)CC1)c1ccccc1 ZINC001313671646 1070900895 /nfs/dbraw/zinc/90/08/95/1070900895.db2.gz BHNQDLWNHDXMPX-QFIPXVFZSA-N 1 0 469.584 3.810 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC001313672320 1070903216 /nfs/dbraw/zinc/90/32/16/1070903216.db2.gz VLHDHJKTEQUFMX-QFBILLFUSA-N 1 0 475.688 3.707 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313672346 1070903235 /nfs/dbraw/zinc/90/32/35/1070903235.db2.gz VUGBBFBFORYQOE-MOPGFXCFSA-N 1 0 482.595 3.681 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccco1 ZINC001313674036 1070909957 /nfs/dbraw/zinc/90/99/57/1070909957.db2.gz HVVDMWCHKGZLFN-FNZWTVRRSA-N 1 0 486.661 3.718 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1cnn(C)c1)c1ccsc1 ZINC001313673136 1070906207 /nfs/dbraw/zinc/90/62/07/1070906207.db2.gz JNOLQFFUINTLSK-NRFANRHFSA-N 1 0 452.632 3.798 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 ZINC001313674015 1070910001 /nfs/dbraw/zinc/91/00/01/1070910001.db2.gz MEMKPPXICCXSMS-QFIPXVFZSA-N 1 0 482.032 3.745 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1)c1ccccc1 ZINC001313675894 1070918890 /nfs/dbraw/zinc/91/88/90/1070918890.db2.gz VXSXZKIAGIUHKX-NHCUHLMSSA-N 1 0 453.591 3.754 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCC(F)(F)F)c1ccccc1 ZINC001313674316 1070911155 /nfs/dbraw/zinc/91/11/55/1070911155.db2.gz URDJIVQCHCKOOI-ZWKOTPCHSA-N 1 0 452.525 3.701 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C)C1)c1ccsc1 ZINC001313674508 1070912133 /nfs/dbraw/zinc/91/21/33/1070912133.db2.gz KMNFBPLRBZTRFT-CTNGQTDRSA-N 1 0 457.648 3.509 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccco1 ZINC001313676118 1070919533 /nfs/dbraw/zinc/91/95/33/1070919533.db2.gz CJAYDHGJUVTRMW-HXUWFJFHSA-N 1 0 472.634 3.964 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccco1 ZINC001313675340 1070915801 /nfs/dbraw/zinc/91/58/01/1070915801.db2.gz RYNRAZNHUXAKKR-PXNSSMCTSA-N 1 0 471.005 3.942 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(C)C)C1)c1ccco1 ZINC001313675534 1070916737 /nfs/dbraw/zinc/91/67/37/1070916737.db2.gz PHMGOPVXDUTASW-LEWJYISDSA-N 1 0 456.635 3.949 20 0 JHADRO CN(CC(F)(F)F)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314721556 1070918443 /nfs/dbraw/zinc/91/84/43/1070918443.db2.gz KTTMGCOCNBJRII-UHFFFAOYSA-N 1 0 458.554 3.533 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCSCC1)c1ccccc1 ZINC001313675985 1070918689 /nfs/dbraw/zinc/91/86/89/1070918689.db2.gz SISVFZZALTXNLT-QFIPXVFZSA-N 1 0 453.660 3.776 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 ZINC001313681360 1070940461 /nfs/dbraw/zinc/94/04/61/1070940461.db2.gz VTLXXJQQRSKCEY-DEOSSOPVSA-N 1 0 495.697 3.776 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)c1ccco1 ZINC001313681743 1070941392 /nfs/dbraw/zinc/94/13/92/1070941392.db2.gz YSCHHQFIUHVVPX-WOJBJXKFSA-N 1 0 471.650 3.583 20 0 JHADRO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314730965 1070949061 /nfs/dbraw/zinc/94/90/61/1070949061.db2.gz KTKNSWIWNUFMSL-VQTJNVASSA-N 1 0 467.536 3.632 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC2(O)CCOCC2)CC1 ZINC001313691313 1070950687 /nfs/dbraw/zinc/95/06/87/1070950687.db2.gz IBALEEAKFCQHKN-HXUWFJFHSA-N 1 0 489.636 3.799 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCC(=O)N2)n1CCCCC[NH+]1CCCC1 ZINC001314731739 1070951075 /nfs/dbraw/zinc/95/10/75/1070951075.db2.gz SOKNQFXSDHYDFR-KRWDZBQOSA-N 1 0 451.040 3.847 20 0 JHADRO CN(Cc1ccc(F)c(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCC[NH+]1CCCCC1 ZINC001314732578 1070953531 /nfs/dbraw/zinc/95/35/31/1070953531.db2.gz GAJNFGHRVLNCGV-HXUWFJFHSA-N 1 0 495.640 3.751 20 0 JHADRO CN(Cc1ccc(F)c(F)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314732918 1070953630 /nfs/dbraw/zinc/95/36/30/1070953630.db2.gz LUZDBXDSBLAYEM-FQEVSTJZSA-N 1 0 460.573 3.549 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CC(C)(C)C)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 ZINC001313694114 1070956001 /nfs/dbraw/zinc/95/60/01/1070956001.db2.gz DHSLBKXKDADDPY-HXUWFJFHSA-N 1 0 457.667 3.578 20 0 JHADRO CN(Cc1ccc(F)cc1F)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCCCCC1 ZINC001314734756 1070957993 /nfs/dbraw/zinc/95/79/93/1070957993.db2.gz IYAAKZAQMMTFON-UHFFFAOYSA-N 1 0 469.540 3.716 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cc(C)nn2C)CC1 ZINC001313691852 1070952797 /nfs/dbraw/zinc/95/27/97/1070952797.db2.gz YXUVELVHTKQZEE-IBGZPJMESA-N 1 0 469.609 3.958 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2cccnc2)CC1 ZINC001313695129 1070959528 /nfs/dbraw/zinc/95/95/28/1070959528.db2.gz NQYINVZLKJTEJQ-UHFFFAOYSA-N 1 0 464.614 3.911 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(OC)CCC2)CC1 ZINC001313695517 1070959970 /nfs/dbraw/zinc/95/99/70/1070959970.db2.gz AWDOYTDRNQIOGO-UHFFFAOYSA-N 1 0 489.686 3.618 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001313695451 1070960044 /nfs/dbraw/zinc/96/00/44/1070960044.db2.gz ALERELNMKQYJRQ-FQEVSTJZSA-N 1 0 480.604 3.513 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(N3CCOCC3)c2)CC1 ZINC001313695915 1070961363 /nfs/dbraw/zinc/96/13/63/1070961363.db2.gz RVNRNVOIGYRFNR-UHFFFAOYSA-N 1 0 454.663 3.672 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO2)CC1 ZINC001313696087 1070961889 /nfs/dbraw/zinc/96/18/89/1070961889.db2.gz TUFOZYFKDAXLOA-IFMALSPDSA-N 1 0 490.693 3.882 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCSc2ccccc2)CC1 ZINC001313696275 1070962550 /nfs/dbraw/zinc/96/25/50/1070962550.db2.gz KVINHOWSHGVHAY-UHFFFAOYSA-N 1 0 456.660 3.617 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)C)CC1 ZINC001313698327 1070970261 /nfs/dbraw/zinc/97/02/61/1070970261.db2.gz XYTAZCXKGWONFQ-UHFFFAOYSA-N 1 0 461.680 3.513 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCn2ccnc2C)CC1 ZINC001313697791 1070968327 /nfs/dbraw/zinc/96/83/27/1070968327.db2.gz VCWDFXXJYDGUTF-UHFFFAOYSA-N 1 0 455.582 3.512 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](COC)OC)CC1 ZINC001313698059 1070969388 /nfs/dbraw/zinc/96/93/88/1070969388.db2.gz PULUYQOGDITFKW-GOSISDBHSA-N 1 0 498.441 3.819 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(F)c(Cl)c2)CC1 ZINC001313698647 1070971030 /nfs/dbraw/zinc/97/10/30/1070971030.db2.gz BNAKEHYEURIZGL-UHFFFAOYSA-N 1 0 488.995 3.678 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2C[C@H]2C)CC1 ZINC001313698803 1070971568 /nfs/dbraw/zinc/97/15/68/1070971568.db2.gz MRGVVOHMRPZRQV-RTBURBONSA-N 1 0 491.105 3.870 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001313698981 1070972657 /nfs/dbraw/zinc/97/26/57/1070972657.db2.gz PIEQBFWGWLUKGO-NRFANRHFSA-N 1 0 480.648 3.827 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C)cc2SC)CC1 ZINC001313698975 1070972691 /nfs/dbraw/zinc/97/26/91/1070972691.db2.gz GQNNOACVEBXNQD-UHFFFAOYSA-N 1 0 496.681 3.916 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCS[C@H](C(C)C)C2)cc1 ZINC001313699380 1070973977 /nfs/dbraw/zinc/97/39/77/1070973977.db2.gz XHFQLEOXWAWLLH-QHCPKHFHSA-N 1 0 484.714 3.982 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001313699529 1070974181 /nfs/dbraw/zinc/97/41/81/1070974181.db2.gz LQUHJERSMRCXPV-UNMCSNQZSA-N 1 0 452.647 3.680 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc(Cc2ccccn2)n1CC[NH+]1CCSCC1 ZINC001314740092 1070974198 /nfs/dbraw/zinc/97/41/98/1070974198.db2.gz LVIMQZVSCPLFIW-UHFFFAOYSA-N 1 0 487.471 3.712 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccc(C)o3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)c1 ZINC001313699706 1070974875 /nfs/dbraw/zinc/97/48/75/1070974875.db2.gz HQUKHMNAMFOXQE-ZRZAMGCNSA-N 1 0 453.587 3.587 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC001313699925 1070975383 /nfs/dbraw/zinc/97/53/83/1070975383.db2.gz KYXXFRSHKHHDDC-QFIPXVFZSA-N 1 0 484.670 3.567 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC(S(C)(=O)=O)CC2)c1 ZINC001313700070 1070975416 /nfs/dbraw/zinc/97/54/16/1070975416.db2.gz MLVZWVYNIBVUOF-UHFFFAOYSA-N 1 0 485.654 3.750 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCN(CC(C)C)C(=O)C2)c1 ZINC001313700166 1070976127 /nfs/dbraw/zinc/97/61/27/1070976127.db2.gz PFJWMSUANWOIRA-UHFFFAOYSA-N 1 0 489.668 3.843 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001313701098 1070978672 /nfs/dbraw/zinc/97/86/72/1070978672.db2.gz QYWJPUZVQDZXBH-RZUBCFFCSA-N 1 0 486.636 3.765 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCc2cnn(C)n2)C1 ZINC001313701212 1070979508 /nfs/dbraw/zinc/97/95/08/1070979508.db2.gz CPPVVEYXNNZXSH-SFHVURJKSA-N 1 0 457.026 3.528 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCOC[C@H]2OC)C1 ZINC001313701518 1070979949 /nfs/dbraw/zinc/97/99/49/1070979949.db2.gz HTROIYXCMGZFRU-NPPFBWRTSA-N 1 0 480.028 3.957 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCOC[C@@H]2OC)C1 ZINC001313701520 1070980603 /nfs/dbraw/zinc/98/06/03/1070980603.db2.gz HTROIYXCMGZFRU-SVMVAKDDSA-N 1 0 480.028 3.957 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313701609 1070980663 /nfs/dbraw/zinc/98/06/63/1070980663.db2.gz AYTRVHPYQSCDBF-QFIPXVFZSA-N 1 0 462.598 3.620 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCS[C@H](C(C)C)C2)c1 ZINC001313701605 1070980687 /nfs/dbraw/zinc/98/06/87/1070980687.db2.gz AUHJGKIUXLFCCH-QHCPKHFHSA-N 1 0 484.714 3.868 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(-c2cccn2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314740568 1070976609 /nfs/dbraw/zinc/97/66/09/1070976609.db2.gz XPFQQWXSDTYPRP-MGBGTMOVSA-N 1 0 468.671 3.779 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](C(=O)OC)C2)c1 ZINC001313700183 1070976712 /nfs/dbraw/zinc/97/67/12/1070976712.db2.gz POUSNFLTRDXOGW-QHCPKHFHSA-N 1 0 476.625 3.928 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(C)s2)CC1 ZINC001313700414 1070977370 /nfs/dbraw/zinc/97/73/70/1070977370.db2.gz XBMSCRRWPDUDCP-UHFFFAOYSA-N 1 0 466.655 3.662 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(C)C)CC1 ZINC001313700485 1070977448 /nfs/dbraw/zinc/97/74/48/1070977448.db2.gz FCGZVXZRSODLNY-IBGZPJMESA-N 1 0 477.053 3.718 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(C)C)CC1 ZINC001313700486 1070977531 /nfs/dbraw/zinc/97/75/31/1070977531.db2.gz FCGZVXZRSODLNY-LJQANCHMSA-N 1 0 477.053 3.718 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCSCC2)cc1 ZINC001313700678 1070978194 /nfs/dbraw/zinc/97/81/94/1070978194.db2.gz XIOSLLIWEWQWJY-UHFFFAOYSA-N 1 0 453.660 3.583 20 0 JHADRO CN(Cc1cccc(C(N)=O)c1)c1nnc(CC(C)(C)C)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001314742691 1070982144 /nfs/dbraw/zinc/98/21/44/1070982144.db2.gz POOXDJOJSSVFFD-UHFFFAOYSA-N 1 0 496.700 3.885 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(F)cn2)C1 ZINC001313702081 1070982836 /nfs/dbraw/zinc/98/28/36/1070982836.db2.gz MJKUXNVBKXWISF-SFHVURJKSA-N 1 0 468.577 3.713 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2Cc2cccc(Cl)c2C)CC1 ZINC001313702197 1070983510 /nfs/dbraw/zinc/98/35/10/1070983510.db2.gz BDANWSCODIYSMD-UHFFFAOYSA-N 1 0 459.038 3.546 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nccn2C(F)F)C1 ZINC001313702287 1070983535 /nfs/dbraw/zinc/98/35/35/1070983535.db2.gz NXGVRLBMHZZVEM-QGZVFWFLSA-N 1 0 459.545 3.762 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001313702596 1070984819 /nfs/dbraw/zinc/98/48/19/1070984819.db2.gz PTGHVDMYWUJQOX-IBGZPJMESA-N 1 0 451.575 3.554 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H]2CC=CCC2)cc1 ZINC001313702492 1070984839 /nfs/dbraw/zinc/98/48/39/1070984839.db2.gz BFVYKWWNEOYUGJ-REWPJTCUSA-N 1 0 450.631 3.912 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 ZINC001313703207 1070985981 /nfs/dbraw/zinc/98/59/81/1070985981.db2.gz GKNUKXWYNLIRRI-XMMPIXPASA-N 1 0 491.684 3.915 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C(C)(C)C)C2)c1 ZINC001313703710 1070988034 /nfs/dbraw/zinc/98/80/34/1070988034.db2.gz QSOMEEVBHXNRSH-HSZRJFAPSA-N 1 0 482.673 3.542 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCS[C@H](C)[C@H]2C)cc1 ZINC001313703934 1070989330 /nfs/dbraw/zinc/98/93/30/1070989330.db2.gz IKSHHDKNYRRAGI-RTBURBONSA-N 1 0 458.676 3.637 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](OC(C)(C)C)C2)cc1 ZINC001313703925 1070989391 /nfs/dbraw/zinc/98/93/91/1070989391.db2.gz IKFULSGPKRFKOY-GOTSBHOMSA-N 1 0 482.673 3.903 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2CC(C)(C)c2ccc(OC)cc2)CC1 ZINC001313704284 1070989673 /nfs/dbraw/zinc/98/96/73/1070989673.db2.gz MRYBMPJOLDRGEQ-UHFFFAOYSA-N 1 0 482.673 3.522 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001313704544 1070990438 /nfs/dbraw/zinc/99/04/38/1070990438.db2.gz JIMUAUZCYFMSPA-AREMUKBSSA-N 1 0 487.714 3.772 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CC2COC(C)(C)OC2)c1 ZINC001313704485 1070990642 /nfs/dbraw/zinc/99/06/42/1070990642.db2.gz XBSIFGSOFGJYPO-XMMPIXPASA-N 1 0 485.673 3.898 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CC3CCCC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC001313704519 1070990670 /nfs/dbraw/zinc/99/06/70/1070990670.db2.gz XSALYLRJTRNTBP-DEOSSOPVSA-N 1 0 487.714 3.914 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(CC)C1 ZINC001313704589 1070991097 /nfs/dbraw/zinc/99/10/97/1070991097.db2.gz KJYBSSJVAOHFHF-SANMLTNESA-N 1 0 452.647 3.917 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313704869 1070991680 /nfs/dbraw/zinc/99/16/80/1070991680.db2.gz NXLBUEXRMWJQNI-XMMPIXPASA-N 1 0 495.716 3.678 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCS[C@@H](C(C)C)C2)cc1 ZINC001313705726 1070994216 /nfs/dbraw/zinc/99/42/16/1070994216.db2.gz TWPGZMUYXGRXNZ-FCHUYYIVSA-N 1 0 470.687 3.697 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCSC2)C1 ZINC001313706226 1070995665 /nfs/dbraw/zinc/99/56/65/1070995665.db2.gz AVAFMVPQRYNMHX-HTAPYJJXSA-N 1 0 450.052 3.635 20 0 JHADRO O=S(=O)(C[C@@H]1CCCCC1(F)F)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001309853567 1070996537 /nfs/dbraw/zinc/99/65/37/1070996537.db2.gz ZLFGMGXVUOPJHU-LEWJYISDSA-N 1 0 456.599 3.945 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccs2)N2CCOCC2)C1 ZINC001313706699 1070996888 /nfs/dbraw/zinc/99/68/88/1070996888.db2.gz IPTPRTYLKAHVMP-NHCUHLMSSA-N 1 0 474.719 3.879 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CCC2)C1 ZINC001313708002 1070999560 /nfs/dbraw/zinc/99/95/60/1070999560.db2.gz QDAFPQQRDLXKOE-QGZVFWFLSA-N 1 0 462.436 3.791 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001313707951 1070999578 /nfs/dbraw/zinc/99/95/78/1070999578.db2.gz WDKOYYHSCALMRY-FQEVSTJZSA-N 1 0 498.672 3.989 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)NC(C)(C)C)C1 ZINC001314749684 1071000232 /nfs/dbraw/zinc/00/02/32/1071000232.db2.gz RNOMREFPNPUMMC-JOCHJYFZSA-N 1 0 480.682 3.946 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001313708945 1071001284 /nfs/dbraw/zinc/00/12/84/1071001284.db2.gz DUVMCAUCCYEVHA-JXHRLWIKSA-N 1 0 481.563 3.748 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OCC(F)(F)F)C1 ZINC001313709312 1071001623 /nfs/dbraw/zinc/00/16/23/1071001623.db2.gz CSNCCJOKDPKYCM-ICSRJNTNSA-N 1 0 496.578 3.725 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001313710037 1071003191 /nfs/dbraw/zinc/00/31/91/1071003191.db2.gz HNTFOSHDPXMLSH-CVEARBPZSA-N 1 0 472.581 3.668 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC(C)(OC)C1 ZINC001313712597 1071008980 /nfs/dbraw/zinc/00/89/80/1071008980.db2.gz ULLVPRXDHKXXRX-UHFFFAOYSA-N 1 0 466.424 3.673 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001313712736 1071009231 /nfs/dbraw/zinc/00/92/31/1071009231.db2.gz VXGSOYOKOQMEPG-IBGZPJMESA-N 1 0 459.982 3.600 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001313711464 1071006218 /nfs/dbraw/zinc/00/62/18/1071006218.db2.gz DKCMSBJIXZELRJ-SANMLTNESA-N 1 0 452.647 3.691 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CSCCS2)C1 ZINC001313711739 1071007256 /nfs/dbraw/zinc/00/72/56/1071007256.db2.gz HPJHNQAPKYKAFD-IEBWSBKVSA-N 1 0 466.746 3.651 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)OC)CC1 ZINC001313712128 1071007981 /nfs/dbraw/zinc/00/79/81/1071007981.db2.gz SIFQIYKCOPNBHW-SFHVURJKSA-N 1 0 479.025 3.692 20 0 JHADRO CN(Cc1ccco1)c1nnc(-c2ccccc2Br)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314756040 1071009744 /nfs/dbraw/zinc/00/97/44/1071009744.db2.gz ABTQSAYXKJHHJU-UHFFFAOYSA-N 1 0 487.446 3.963 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001313715628 1071014385 /nfs/dbraw/zinc/01/43/85/1071014385.db2.gz KROMUTXYNSAQON-HXUWFJFHSA-N 1 0 463.630 3.716 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001313714240 1071011502 /nfs/dbraw/zinc/01/15/02/1071011502.db2.gz IYGDREASBFPWQJ-GOSISDBHSA-N 1 0 477.451 3.544 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO2)C1 ZINC001313714144 1071011738 /nfs/dbraw/zinc/01/17/38/1071011738.db2.gz XCSKTPHGEZPRCY-FDFHNCONSA-N 1 0 490.693 3.740 20 0 JHADRO CN(Cc1ccco1)c1nnc(-c2cccc(OC(F)F)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001314758207 1071012676 /nfs/dbraw/zinc/01/26/76/1071012676.db2.gz RBIGIRVPHHBUKG-UHFFFAOYSA-N 1 0 461.513 3.887 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)C1 ZINC001313714637 1071012697 /nfs/dbraw/zinc/01/26/97/1071012697.db2.gz ZZFWYJUHGFLCRW-WEZXKFLESA-N 1 0 463.667 3.723 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001313714926 1071013159 /nfs/dbraw/zinc/01/31/59/1071013159.db2.gz WQPMJHZDMYCZLT-HXUWFJFHSA-N 1 0 471.646 3.826 20 0 JHADRO CN(Cc1cccs1)c1nnc(CCOc2ccccc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314759165 1071014224 /nfs/dbraw/zinc/01/42/24/1071014224.db2.gz TZWOPPQTDDQFQY-UHFFFAOYSA-N 1 0 455.628 3.708 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C2CCC1(C)CC2 ZINC001313715767 1071015122 /nfs/dbraw/zinc/01/51/22/1071015122.db2.gz DKHKELGVSATFQC-ABGUIGEDSA-N 1 0 476.666 3.840 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC001313716259 1071015894 /nfs/dbraw/zinc/01/58/94/1071015894.db2.gz PYVWJVYDOHZVPT-UHFFFAOYSA-N 1 0 493.656 3.989 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314762389 1071019973 /nfs/dbraw/zinc/01/99/73/1071019973.db2.gz OXXXBYYMWWOBIR-MRXNPFEDSA-N 1 0 482.942 3.722 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001313716359 1071016030 /nfs/dbraw/zinc/01/60/30/1071016030.db2.gz QPEXEKCDCWKKEM-AREMUKBSSA-N 1 0 467.662 3.890 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccccc2OC)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313716467 1071016088 /nfs/dbraw/zinc/01/60/88/1071016088.db2.gz IXWYRXKIMRARST-UHFFFAOYSA-N 1 0 469.552 3.503 20 0 JHADRO COc1cc(F)c(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1OC ZINC001309916305 1071016218 /nfs/dbraw/zinc/01/62/18/1071016218.db2.gz WYKAJBBLFBDDES-RBBKRZOGSA-N 1 0 470.566 3.789 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313719428 1071020010 /nfs/dbraw/zinc/02/00/10/1071020010.db2.gz NHZODMRKIXQGGU-IEBWSBKVSA-N 1 0 482.551 3.645 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314760361 1071016706 /nfs/dbraw/zinc/01/67/06/1071016706.db2.gz JPCUGGQGGLVAIN-NRFANRHFSA-N 1 0 453.591 3.742 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001313717193 1071017005 /nfs/dbraw/zinc/01/70/05/1071017005.db2.gz BCGABXKLEWVJHR-IAGOWNOFSA-N 1 0 453.990 3.710 20 0 JHADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1F ZINC001309917932 1071017190 /nfs/dbraw/zinc/01/71/90/1071017190.db2.gz JVQWZOFIRULEKB-WIOPSUGQSA-N 1 0 467.566 3.731 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001313717720 1071017978 /nfs/dbraw/zinc/01/79/78/1071017978.db2.gz QNVFUESBJLPWKY-UHFFFAOYSA-N 1 0 483.064 3.679 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1 ZINC001313719228 1071020220 /nfs/dbraw/zinc/02/02/20/1071020220.db2.gz KOHBKWUEYRXOHO-APWZRJJASA-N 1 0 465.067 3.534 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001313719347 1071020335 /nfs/dbraw/zinc/02/03/35/1071020335.db2.gz OQCSATTUQJLXMF-RTWAWAEBSA-N 1 0 460.692 3.849 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001313718174 1071018336 /nfs/dbraw/zinc/01/83/36/1071018336.db2.gz NEOKARRGYBSKRN-QTEQDKRBSA-N 1 0 457.619 3.774 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313718487 1071018565 /nfs/dbraw/zinc/01/85/65/1071018565.db2.gz KPFPNSRCXLVQAY-QHAWAJNXSA-N 1 0 478.682 3.644 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001313718553 1071018924 /nfs/dbraw/zinc/01/89/24/1071018924.db2.gz RVZCMCQIULLAKB-GHTZIAJQSA-N 1 0 497.562 3.928 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001313719897 1071021171 /nfs/dbraw/zinc/02/11/71/1071021171.db2.gz YGTKVJBUGNTPPA-MSOLQXFVSA-N 1 0 477.053 3.596 20 0 JHADRO CN(Cc1ccoc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314764572 1071025640 /nfs/dbraw/zinc/02/56/40/1071025640.db2.gz FNZWOIANBZHYPD-KRWDZBQOSA-N 1 0 451.556 3.519 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@H]1CSC ZINC001313720732 1071021663 /nfs/dbraw/zinc/02/16/63/1071021663.db2.gz ZEFLZQIVSRJJSJ-KRWDZBQOSA-N 1 0 455.632 3.658 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCC[NH+](CC)CC)CCO2)cn1 ZINC001313720453 1071021778 /nfs/dbraw/zinc/02/17/78/1071021778.db2.gz KUYPHQWXQORYTI-XPWALMASSA-N 1 0 487.693 3.723 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001313722146 1071026271 /nfs/dbraw/zinc/02/62/71/1071026271.db2.gz QSIYYXYNAXEATI-HXUWFJFHSA-N 1 0 470.662 3.767 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001313721089 1071022555 /nfs/dbraw/zinc/02/25/55/1071022555.db2.gz DQGRRZYJYMZQMI-HOYKHHGWSA-N 1 0 479.044 3.769 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001313721593 1071024498 /nfs/dbraw/zinc/02/44/98/1071024498.db2.gz FOEZNCWEVINBPQ-UYAOXDASSA-N 1 0 450.587 3.613 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001313721582 1071024505 /nfs/dbraw/zinc/02/45/05/1071024505.db2.gz FGYZXXHRKDYMDG-OAQYLSRUSA-N 1 0 452.647 3.904 20 0 JHADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1Cl ZINC001309944007 1071024736 /nfs/dbraw/zinc/02/47/36/1071024736.db2.gz XRLWXEPKZCUWDN-CEXWTWQISA-N 1 0 462.999 3.706 20 0 JHADRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001309944153 1071024874 /nfs/dbraw/zinc/02/48/74/1071024874.db2.gz WYULWLYQGLSDGC-GGAORHGYSA-N 1 0 459.587 3.961 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313723690 1071029252 /nfs/dbraw/zinc/02/92/52/1071029252.db2.gz KWCBZTWOOLGZSX-KSZLIROESA-N 1 0 459.660 3.861 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@@H](C)C[C@H](C)C3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313723739 1071029366 /nfs/dbraw/zinc/02/93/66/1071029366.db2.gz LQVKZMRSFPSUIH-SLFFLAALSA-N 1 0 465.646 3.888 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(c2nccs2)CC1 ZINC001313723625 1071029373 /nfs/dbraw/zinc/02/93/73/1071029373.db2.gz IRPJKHIHVKTZTH-LJQANCHMSA-N 1 0 471.650 3.912 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(OC)ccc1Br ZINC001313723984 1071029670 /nfs/dbraw/zinc/02/96/70/1071029670.db2.gz ZCLDOOIJVMXMHB-MRXNPFEDSA-N 1 0 490.450 3.816 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC(=O)NC(C)C ZINC001313724345 1071030651 /nfs/dbraw/zinc/03/06/51/1071030651.db2.gz RQWKDBNCJQJLPI-QZTJIDSGSA-N 1 0 460.692 3.823 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1nccs1 ZINC001313724280 1071030658 /nfs/dbraw/zinc/03/06/58/1071030658.db2.gz OAWXJCVXDUOSOE-OAHLLOKOSA-N 1 0 480.480 3.912 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC001313722455 1071026870 /nfs/dbraw/zinc/02/68/70/1071026870.db2.gz AWGIYRHDXBQZMH-IRLDBZIGSA-N 1 0 478.645 3.579 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001313722699 1071027506 /nfs/dbraw/zinc/02/75/06/1071027506.db2.gz GIINZNOEJICETM-UXHICEINSA-N 1 0 455.676 3.959 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001313723023 1071028209 /nfs/dbraw/zinc/02/82/09/1071028209.db2.gz LEAUNGMMNOAXFL-DYESRHJHSA-N 1 0 489.571 3.588 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001313724528 1071031114 /nfs/dbraw/zinc/03/11/14/1071031114.db2.gz RWXFRYBUMLYYKY-GOSISDBHSA-N 1 0 460.692 3.929 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccc(F)c2)CC1 ZINC001313725191 1071032108 /nfs/dbraw/zinc/03/21/08/1071032108.db2.gz HCEDHHPKZGEFLQ-NFBKMPQASA-N 1 0 458.626 3.711 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001313725340 1071032618 /nfs/dbraw/zinc/03/26/18/1071032618.db2.gz WVIFVUKHVQFLGX-CTNGQTDRSA-N 1 0 463.630 3.637 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001313725618 1071033182 /nfs/dbraw/zinc/03/31/82/1071033182.db2.gz MPESIGYTDJGVIX-RTBURBONSA-N 1 0 480.579 3.858 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001313725742 1071033643 /nfs/dbraw/zinc/03/36/43/1071033643.db2.gz QGPFFNODEBGVEI-NRSPTQNISA-N 1 0 460.667 3.969 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001313725991 1071034141 /nfs/dbraw/zinc/03/41/41/1071034141.db2.gz WLVWJRXIXJYLFX-IAGOWNOFSA-N 1 0 482.460 3.541 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001313725871 1071034194 /nfs/dbraw/zinc/03/41/94/1071034194.db2.gz SYXNHHSTDQFSFI-FGZHOGPDSA-N 1 0 470.662 3.903 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001313726298 1071034523 /nfs/dbraw/zinc/03/45/23/1071034523.db2.gz FFYNBUMBWJTJTK-ADYITMSISA-N 1 0 474.694 3.518 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)nnc1C(C)(C)C ZINC001313726530 1071035101 /nfs/dbraw/zinc/03/51/01/1071035101.db2.gz MCSKAUUTQYWSAG-LJQANCHMSA-N 1 0 455.651 3.864 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001313727826 1071038253 /nfs/dbraw/zinc/03/82/53/1071038253.db2.gz IJGBGRPWQOEQBG-JOCHJYFZSA-N 1 0 481.689 3.613 20 0 JHADRO CC(=O)Nc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C(F)(F)F)c1 ZINC001309992570 1071042343 /nfs/dbraw/zinc/04/23/43/1071042343.db2.gz QOEUZWURDGYABM-SFHVURJKSA-N 1 0 450.461 3.552 20 0 JHADRO CCC[N@H+](C)[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1 ZINC001309985483 1071039799 /nfs/dbraw/zinc/03/97/99/1071039799.db2.gz ZHILMFBIZSOOBG-FQEVSTJZSA-N 1 0 453.008 3.795 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313728745 1071040712 /nfs/dbraw/zinc/04/07/12/1071040712.db2.gz VEKRFPZNMIWLPE-QWFCFKBJSA-N 1 0 453.553 3.950 20 0 JHADRO CN(Cc1ccon1)c1nnc(-c2ccc(Br)s2)n1CCCC[NH+]1CCOCC1 ZINC001314776287 1071048140 /nfs/dbraw/zinc/04/81/40/1071048140.db2.gz KRUHJDUBSWFGEC-UHFFFAOYSA-N 1 0 481.420 3.506 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001313731302 1071047043 /nfs/dbraw/zinc/04/70/43/1071047043.db2.gz QMVNWRKGBARMDR-GCJKJVERSA-N 1 0 463.573 3.671 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001313732385 1071049476 /nfs/dbraw/zinc/04/94/76/1071049476.db2.gz CXVRXEYFZSPMAR-RUZDIDTESA-N 1 0 489.668 3.867 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001313732641 1071050082 /nfs/dbraw/zinc/05/00/82/1071050082.db2.gz IRVRFXUTHZRPGK-QGZVFWFLSA-N 1 0 465.067 3.874 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(CC(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314779861 1071054234 /nfs/dbraw/zinc/05/42/34/1071054234.db2.gz MVANFOCUXDCYRX-HNNXBMFYSA-N 1 0 466.606 3.724 20 0 JHADRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1cc(Br)cnc1OC ZINC001310008223 1071054945 /nfs/dbraw/zinc/05/49/45/1071054945.db2.gz XKYAAUNEQTYPKS-UHFFFAOYSA-N 1 0 451.365 3.895 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCCc2cccc(C(=O)N(C)C)c2)CC1 ZINC001310017479 1071061857 /nfs/dbraw/zinc/06/18/57/1071061857.db2.gz DYHLEPSUOBURBI-UHFFFAOYSA-N 1 0 458.006 3.548 20 0 JHADRO CN(CC1CC(F)C1)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314785175 1071062420 /nfs/dbraw/zinc/06/24/20/1071062420.db2.gz DEWJCOYCQCXRTG-RRWXTXHCSA-N 1 0 488.608 3.896 20 0 JHADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001313738491 1071062902 /nfs/dbraw/zinc/06/29/02/1071062902.db2.gz UKBIPUTVJODJKD-FBIATWESSA-N 1 0 498.672 3.783 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313740439 1071065735 /nfs/dbraw/zinc/06/57/35/1071065735.db2.gz BHRWGAMADHBGRY-ZFGGDYGUSA-N 1 0 487.714 3.883 20 0 JHADRO CN(C[C@@H]1CC=CCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314789505 1071066570 /nfs/dbraw/zinc/06/65/70/1071066570.db2.gz YYHJDWUQVNBXRP-UXHICEINSA-N 1 0 451.619 3.838 20 0 JHADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001310022516 1071067275 /nfs/dbraw/zinc/06/72/75/1071067275.db2.gz FBJOIBOXRLMGOO-VQTJNVASSA-N 1 0 459.635 3.761 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001313741838 1071067990 /nfs/dbraw/zinc/06/79/90/1071067990.db2.gz SRIBHRVWVZLYJZ-UHFFFAOYSA-N 1 0 456.610 3.802 20 0 JHADRO CN(C[C@H]1CC=CCC1)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314790605 1071068321 /nfs/dbraw/zinc/06/83/21/1071068321.db2.gz PMBQYFMXIKPVOK-UGKGYDQZSA-N 1 0 454.594 3.635 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001313745732 1071073948 /nfs/dbraw/zinc/07/39/48/1071073948.db2.gz JYUSUQAGNNXMPB-YADHBBJMSA-N 1 0 456.610 3.905 20 0 JHADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NCC[N@H+](C)C3CCCCC3)cc2)C1 ZINC001310042757 1071079905 /nfs/dbraw/zinc/07/99/05/1071079905.db2.gz JWBOOEMOLWMFAB-RTBURBONSA-N 1 0 450.649 3.739 20 0 JHADRO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)N(CC[NH+](C)C)C3CCCC3)cc2)C1 ZINC001310044079 1071080424 /nfs/dbraw/zinc/08/04/24/1071080424.db2.gz YNTLDUIUGBSJCT-OALUTQOASA-N 1 0 450.649 3.691 20 0 JHADRO CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001313750179 1071080987 /nfs/dbraw/zinc/08/09/87/1071080987.db2.gz ZWEJOVIGFZUJLI-FQEVSTJZSA-N 1 0 456.591 3.588 20 0 JHADRO COc1cc(NC2CCN(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)CC2)cc(OC)c1 ZINC001310045729 1071081830 /nfs/dbraw/zinc/08/18/30/1071081830.db2.gz HXTHUNNIQCOSGD-UHFFFAOYSA-N 1 0 453.587 3.564 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313750410 1071082287 /nfs/dbraw/zinc/08/22/87/1071082287.db2.gz HYOCTEXEPCDLHM-WOJBJXKFSA-N 1 0 481.645 3.602 20 0 JHADRO Cc1cc(NC(=O)N2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)ccc1N1CC[NH+](C)CC1 ZINC001310060713 1071091663 /nfs/dbraw/zinc/09/16/63/1071091663.db2.gz WQIXOBKGYQFASH-CLOONOSVSA-N 1 0 457.619 3.658 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(CCCc2ccccc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314807383 1071095880 /nfs/dbraw/zinc/09/58/80/1071095880.db2.gz FEHGYQKXZVJLRN-WIOPSUGQSA-N 1 0 457.688 3.754 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(F)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001313756926 1071100315 /nfs/dbraw/zinc/10/03/15/1071100315.db2.gz YKVHIYVOXFABGX-UHFFFAOYSA-N 1 0 455.582 3.631 20 0 JHADRO CCN(CC1CC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[NH+]1CCCCCC1 ZINC001313758109 1071104043 /nfs/dbraw/zinc/10/40/43/1071104043.db2.gz ABDYLAGFKXGXTI-UHFFFAOYSA-N 1 0 459.038 3.974 20 0 JHADRO CCN(Cc1c[nH]c2ccccc12)c1nnc(C(=O)N2CCCC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001313758576 1071105020 /nfs/dbraw/zinc/10/50/20/1071105020.db2.gz YPCWPFBJDXREDQ-NRFANRHFSA-N 1 0 465.646 3.998 20 0 JHADRO CN(C[C@H]1CCOC1)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314811430 1071105672 /nfs/dbraw/zinc/10/56/72/1071105672.db2.gz MICJTZQAAXGTFA-MRXNPFEDSA-N 1 0 465.440 3.630 20 0 JHADRO Cc1cc(N2CCOCC2)ccc1NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC001310084015 1071107213 /nfs/dbraw/zinc/10/72/13/1071107213.db2.gz JSGNCXCLDXGIJQ-OAQYLSRUSA-N 1 0 452.599 3.853 20 0 JHADRO CCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001313764096 1071110840 /nfs/dbraw/zinc/11/08/40/1071110840.db2.gz CXBWKMVUTZBTQI-WIYYLYMNSA-N 1 0 459.660 3.546 20 0 JHADRO CN(C[C@H]1CCOC1)c1nnc(-c2ccc(Br)s2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314817074 1071125345 /nfs/dbraw/zinc/12/53/45/1071125345.db2.gz VRHYEJLCOOMHLJ-UKRRQHHQSA-N 1 0 454.438 3.582 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001313772823 1071125462 /nfs/dbraw/zinc/12/54/62/1071125462.db2.gz VKBBQRAOMORYQJ-XXBNENTESA-N 1 0 481.613 3.989 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 ZINC001310116249 1071128678 /nfs/dbraw/zinc/12/86/78/1071128678.db2.gz UPPHRBMJIKWWMB-PXDATVDWSA-N 1 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CC(C)[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001310321186 1071304572 /nfs/dbraw/zinc/30/45/72/1071304572.db2.gz OBFXRRDCCDGSJS-HSZRJFAPSA-N 1 0 456.612 3.502 20 0 JHADRO CCn1cc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC001313835775 1071314247 /nfs/dbraw/zinc/31/42/47/1071314247.db2.gz JRTRIWCDIPVKSS-ROUUACIJSA-N 1 0 487.052 3.734 20 0 JHADRO CCn1cc(CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC001313835212 1071313034 /nfs/dbraw/zinc/31/30/34/1071313034.db2.gz FJFLQVQGIJABSH-UHFFFAOYSA-N 1 0 465.646 3.951 20 0 JHADRO Cc1ccc([C@H](CNC(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)[NH+](C)C)cc1 ZINC001310331605 1071313112 /nfs/dbraw/zinc/31/31/12/1071313112.db2.gz JXYOFLUGNYNYKZ-IBGZPJMESA-N 1 0 450.580 3.635 20 0 JHADRO CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314885811 1071314214 /nfs/dbraw/zinc/31/42/14/1071314214.db2.gz GGMHXGIFETVSBK-UHFFFAOYSA-N 1 0 475.703 3.845 20 0 JHADRO Cc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1N1CCCS1(=O)=O ZINC001310334066 1071315800 /nfs/dbraw/zinc/31/58/00/1071315800.db2.gz UPJZXCRIWDEAOB-UXHICEINSA-N 1 0 456.612 3.662 20 0 JHADRO Cc1ccc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1N1CCCS1(=O)=O ZINC001310334069 1071316021 /nfs/dbraw/zinc/31/60/21/1071316021.db2.gz UPJZXCRIWDEAOB-VQTJNVASSA-N 1 0 456.612 3.662 20 0 JHADRO O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC001310336128 1071318066 /nfs/dbraw/zinc/31/80/66/1071318066.db2.gz XYOZAJDRMUSHCG-UHFFFAOYSA-N 1 0 455.399 3.975 20 0 JHADRO CCn1cc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC001313841856 1071327191 /nfs/dbraw/zinc/32/71/91/1071327191.db2.gz HXLGQQWWXOZZMY-JOCHJYFZSA-N 1 0 469.609 3.969 20 0 JHADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001310369607 1071346109 /nfs/dbraw/zinc/34/61/09/1071346109.db2.gz GLDZFFBYBWRIHX-FZEVHQGJSA-N 1 0 455.502 3.592 20 0 JHADRO Cc1nc(C)n(Cc2cccc(NC(=O)NCC3([N@@H+]4CCOC(C)(C)C4)CCCCC3)c2)n1 ZINC001310379528 1071353894 /nfs/dbraw/zinc/35/38/94/1071353894.db2.gz YBFJYECSDZTSPJ-UHFFFAOYSA-N 1 0 454.619 3.878 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCSCC(F)(F)F ZINC001314913105 1071353992 /nfs/dbraw/zinc/35/39/92/1071353992.db2.gz ASOZOUCTDDFNQI-QGZVFWFLSA-N 1 0 456.582 3.891 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)COC)C[C@H]1C ZINC001313858706 1071359768 /nfs/dbraw/zinc/35/97/68/1071359768.db2.gz HGSGXARNMSSPAN-WOJBJXKFSA-N 1 0 456.635 3.739 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC=CO2)C[C@@H]1C ZINC001313858546 1071359907 /nfs/dbraw/zinc/35/99/07/1071359907.db2.gz BNCPNFLKEUGBLV-BJLQDIEVSA-N 1 0 471.602 3.583 20 0 JHADRO Cn1cc(Br)cc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1=O ZINC001310388097 1071360719 /nfs/dbraw/zinc/36/07/19/1071360719.db2.gz UIEQKJAGESHSHD-JOCHJYFZSA-N 1 0 459.388 3.668 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)c2ccccn2)C[C@H]1C ZINC001313858633 1071361118 /nfs/dbraw/zinc/36/11/18/1071361118.db2.gz BKTRXYYZSXZNJC-YZIHRLCOSA-N 1 0 470.662 3.610 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001313858735 1071361850 /nfs/dbraw/zinc/36/18/50/1071361850.db2.gz HRQLMRCYEGIXJZ-DLBZAZTESA-N 1 0 464.536 3.500 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3ccc(C)c(N4CCOC4=O)c3)CC2)c1 ZINC001310389777 1071362546 /nfs/dbraw/zinc/36/25/46/1071362546.db2.gz PAOXRHVCSNNXHQ-UHFFFAOYSA-N 1 0 451.571 3.594 20 0 JHADRO Cc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1N1CCOC1=O ZINC001310389925 1071362697 /nfs/dbraw/zinc/36/26/97/1071362697.db2.gz VFEPFKOEBPZLJW-OALUTQOASA-N 1 0 452.555 3.883 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314922711 1071366035 /nfs/dbraw/zinc/36/60/35/1071366035.db2.gz GVYCNUDTWCLLFV-LJQANCHMSA-N 1 0 497.850 3.521 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1C(C)(C)C ZINC001314923057 1071366063 /nfs/dbraw/zinc/36/60/63/1071366063.db2.gz AZDQAZXSIXNMQF-KRWDZBQOSA-N 1 0 472.600 3.591 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001314928673 1071371495 /nfs/dbraw/zinc/37/14/95/1071371495.db2.gz PGAPHAKPSIVTNY-FQEVSTJZSA-N 1 0 480.078 3.732 20 0 JHADRO C[N@@H+]1CC[C@](O)(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCCC(C)(C)C2)C1 ZINC001314927965 1071370568 /nfs/dbraw/zinc/37/05/68/1071370568.db2.gz NLPNDIUWQQZIRP-JOCHJYFZSA-N 1 0 468.429 3.857 20 0 JHADRO C[N@@H+]1CC[C@@](O)(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCCC(C)(C)C2)C1 ZINC001314927972 1071370648 /nfs/dbraw/zinc/37/06/48/1071370648.db2.gz NLPNDIUWQQZIRP-QFIPXVFZSA-N 1 0 468.429 3.857 20 0 JHADRO CN(CCCc1ccccn1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314929663 1071372941 /nfs/dbraw/zinc/37/29/41/1071372941.db2.gz ZHPPPTGFPNMQFA-MUUNZHRXSA-N 1 0 492.668 3.685 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C(=O)N(C)C)CCCC2)C[C@@H]1C ZINC001313861646 1071375611 /nfs/dbraw/zinc/37/56/11/1071375611.db2.gz QFWLGZRJBDABBL-VQTJNVASSA-N 1 0 498.672 3.530 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nnc(C)s2)C[C@H]1C ZINC001313862434 1071377574 /nfs/dbraw/zinc/37/75/74/1071377574.db2.gz AEUZBLGLQFYJDD-CABCVRRESA-N 1 0 476.050 3.929 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCc2cnn(C)n2)C[C@H]1C ZINC001313862361 1071376101 /nfs/dbraw/zinc/37/61/01/1071376101.db2.gz PYVZNRALSVDYIJ-URVUXULASA-N 1 0 480.661 3.715 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CC(F)(F)CO2)C[C@@H]1C ZINC001313861946 1071376415 /nfs/dbraw/zinc/37/64/15/1071376415.db2.gz OJHBWVOQYRZGHJ-BOSXTWCSSA-N 1 0 467.536 3.900 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1C[C@H]1[N@H+](C)CCCC1(C)C)[C@H]1CCCN(c2cccnn2)C1 ZINC001314928943 1071372171 /nfs/dbraw/zinc/37/21/71/1071372171.db2.gz QQGYYVIBTMHFSB-LEWJYISDSA-N 1 0 468.694 3.882 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)O)C[C@H]1C ZINC001313860914 1071372228 /nfs/dbraw/zinc/37/22/28/1071372228.db2.gz NEXQEHPXORRWNA-HZPDHXFCSA-N 1 0 450.425 3.706 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2cc(Br)ccc2F)C[C@H]1C ZINC001313864009 1071384091 /nfs/dbraw/zinc/38/40/91/1071384091.db2.gz LHNDFRXYFVMWAR-CVEARBPZSA-N 1 0 490.425 3.742 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2CCOCC2)C[C@H]1C ZINC001313864132 1071385163 /nfs/dbraw/zinc/38/51/63/1071385163.db2.gz XINAVSXMOHCNCX-MOPGFXCFSA-N 1 0 461.054 3.628 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313864711 1071388023 /nfs/dbraw/zinc/38/80/23/1071388023.db2.gz GTMVVDPPIXDNBI-KURKYZTESA-N 1 0 486.617 3.506 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001313864765 1071388075 /nfs/dbraw/zinc/38/80/75/1071388075.db2.gz HBUFAPUNJFVQOT-OALUTQOASA-N 1 0 482.032 3.651 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)c(COC)c2)C[C@@H]1C ZINC001313865036 1071390160 /nfs/dbraw/zinc/39/01/60/1071390160.db2.gz NOONWIVBOBINFK-RBUKOAKNSA-N 1 0 452.578 3.901 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2)C[C@H]1C ZINC001313865246 1071390942 /nfs/dbraw/zinc/39/09/42/1071390942.db2.gz YRDITIBSZQSTJR-IAGOWNOFSA-N 1 0 453.978 3.546 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001313867221 1071399276 /nfs/dbraw/zinc/39/92/76/1071399276.db2.gz IMHHTSAQUUOSCA-FCHUYYIVSA-N 1 0 482.673 3.851 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(OC)C2CC2)C[C@@H]1C ZINC001313867570 1071400820 /nfs/dbraw/zinc/40/08/20/1071400820.db2.gz KFKUUJVBNUBWSZ-CUVVAGTFSA-N 1 0 455.647 3.806 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2CCCNc2ccccn2)C[C@H]1C ZINC001313868116 1071402674 /nfs/dbraw/zinc/40/26/74/1071402674.db2.gz AQEVXPYMDIFWQE-UXHICEINSA-N 1 0 451.594 3.824 20 0 JHADRO CNC(=O)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314945588 1071402893 /nfs/dbraw/zinc/40/28/93/1071402893.db2.gz IWUJZNHKZGLCHB-YTFSRNRJSA-N 1 0 496.700 3.680 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314946524 1071404877 /nfs/dbraw/zinc/40/48/77/1071404877.db2.gz STVBHEQGKOKVHD-KBXCAEBGSA-N 1 0 479.412 3.966 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCSCCCO)C[C@@H]1C ZINC001313868550 1071405356 /nfs/dbraw/zinc/40/53/56/1071405356.db2.gz BSPSDWCPMUIJSP-IRXDYDNUSA-N 1 0 482.492 3.742 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001313870045 1071411351 /nfs/dbraw/zinc/41/13/51/1071411351.db2.gz FBVAEWMMMXHWHH-UXHICEINSA-N 1 0 478.645 3.781 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001313870177 1071412257 /nfs/dbraw/zinc/41/22/57/1071412257.db2.gz SUIKDACCVYVCEL-PMACEKPBSA-N 1 0 466.655 3.588 20 0 JHADRO 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CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001314989233 1071503248 /nfs/dbraw/zinc/50/32/48/1071503248.db2.gz OQFZYYMKDUBQEI-QWFCFKBJSA-N 1 0 488.080 3.712 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001313898099 1071504372 /nfs/dbraw/zinc/50/43/72/1071504372.db2.gz NZUVICHGBSRQOL-RTWAWAEBSA-N 1 0 491.105 3.924 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001313898936 1071506666 /nfs/dbraw/zinc/50/66/66/1071506666.db2.gz DQOPLVZZVGIGGR-NHCUHLMSSA-N 1 0 490.693 3.738 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001313901314 1071511115 /nfs/dbraw/zinc/51/11/15/1071511115.db2.gz GGQPOLCMENNKIH-ZDUSSCGKSA-N 1 0 463.430 3.541 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001313901954 1071512530 /nfs/dbraw/zinc/51/25/30/1071512530.db2.gz CHOVUCCWNVABPK-XMMPIXPASA-N 1 0 466.674 3.679 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001313902964 1071513964 /nfs/dbraw/zinc/51/39/64/1071513964.db2.gz AZPNNYLENJISDO-BJKOFHAPSA-N 1 0 498.672 3.653 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001313903237 1071514794 /nfs/dbraw/zinc/51/47/94/1071514794.db2.gz CUARGFLDCUKTIP-KRWDZBQOSA-N 1 0 450.990 3.720 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CCCO)CC1 ZINC001313902616 1071514195 /nfs/dbraw/zinc/51/41/95/1071514195.db2.gz HJLLJYXHPFEXSG-HSZRJFAPSA-N 1 0 455.647 3.947 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1nccs1 ZINC001313903640 1071515645 /nfs/dbraw/zinc/51/56/45/1071515645.db2.gz FDSBUKXEHCIEPG-KSZLIROESA-N 1 0 475.663 3.626 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 ZINC001313904445 1071518440 /nfs/dbraw/zinc/51/84/40/1071518440.db2.gz HVPGOWWAJXPJKZ-FQEVSTJZSA-N 1 0 486.686 3.755 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001313904836 1071519947 /nfs/dbraw/zinc/51/99/47/1071519947.db2.gz VDPDBEJDOQXXOP-HXUWFJFHSA-N 1 0 475.081 3.877 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001315001117 1071523853 /nfs/dbraw/zinc/52/38/53/1071523853.db2.gz CNIWFACHLJIYAG-QHCPKHFHSA-N 1 0 466.674 3.536 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C)C1 ZINC001313905195 1071520680 /nfs/dbraw/zinc/52/06/80/1071520680.db2.gz NRZHCDWRIHSROM-NVXWUHKLSA-N 1 0 466.399 3.946 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C)C1 ZINC001313905196 1071520703 /nfs/dbraw/zinc/52/07/03/1071520703.db2.gz NRZHCDWRIHSROM-RDJZCZTQSA-N 1 0 466.399 3.946 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001313905278 1071521299 /nfs/dbraw/zinc/52/12/99/1071521299.db2.gz OUBDDINZFNYANU-RTBURBONSA-N 1 0 495.466 3.542 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@](C)(CC)C1 ZINC001313909215 1071531167 /nfs/dbraw/zinc/53/11/67/1071531167.db2.gz PUUKKLXTUFLOTN-NBGIEHNGSA-N 1 0 457.619 3.842 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313909050 1071531765 /nfs/dbraw/zinc/53/17/65/1071531765.db2.gz MGBATELWVQUWKP-FGZHOGPDSA-N 1 0 483.661 3.632 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001313909206 1071531871 /nfs/dbraw/zinc/53/18/71/1071531871.db2.gz CFTCKHXCCZQPAF-SFTDATJTSA-N 1 0 476.666 3.697 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001313909278 1071532589 /nfs/dbraw/zinc/53/25/89/1071532589.db2.gz QTEMNVKLSZXNNZ-QHCPKHFHSA-N 1 0 482.673 3.911 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001313911763 1071537716 /nfs/dbraw/zinc/53/77/16/1071537716.db2.gz LULSFQYTFRYHTH-AZUAARDMSA-N 1 0 499.603 3.710 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313912194 1071539600 /nfs/dbraw/zinc/53/96/00/1071539600.db2.gz UZQABECCFZJJSZ-WIYYLYMNSA-N 1 0 474.675 3.655 20 0 JHADRO CCN1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1=O ZINC001313912892 1071541288 /nfs/dbraw/zinc/54/12/88/1071541288.db2.gz ICOZXDIMVXUQBA-NZQKXSOJSA-N 1 0 486.636 3.736 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315024076 1071546522 /nfs/dbraw/zinc/54/65/22/1071546522.db2.gz IAJVBBKICMWPQQ-OYRHEFFESA-N 1 0 484.664 3.729 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1=O ZINC001313914477 1071547436 /nfs/dbraw/zinc/54/74/36/1071547436.db2.gz XYIWXQBBHJSEEI-OAQYLSRUSA-N 1 0 468.646 3.667 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313915484 1071550440 /nfs/dbraw/zinc/55/04/40/1071550440.db2.gz SKNVIDNMBBLOJC-NHCUHLMSSA-N 1 0 476.666 3.840 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001315027543 1071553923 /nfs/dbraw/zinc/55/39/23/1071553923.db2.gz UDPOHJOLBHNXKM-LJQANCHMSA-N 1 0 490.439 3.912 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCCCC2)CC1=O ZINC001313916075 1071552104 /nfs/dbraw/zinc/55/21/04/1071552104.db2.gz STSJDSORSXAAEC-UHFFFAOYSA-N 1 0 459.038 3.922 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001313916497 1071553042 /nfs/dbraw/zinc/55/30/42/1071553042.db2.gz YFNORJJHPBNZKD-PKOBYXMFSA-N 1 0 477.078 3.765 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001315028963 1071557344 /nfs/dbraw/zinc/55/73/44/1071557344.db2.gz QYUFZVXNLPYWPS-QFIPXVFZSA-N 1 0 451.619 3.509 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313919524 1071557748 /nfs/dbraw/zinc/55/77/48/1071557748.db2.gz CGCYCJWSBSOPOV-MRXNPFEDSA-N 1 0 483.405 3.579 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315029638 1071558326 /nfs/dbraw/zinc/55/83/26/1071558326.db2.gz DWKTWAFZGPATDA-DFBJGRDBSA-N 1 0 475.081 3.995 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](c1ccco1)[NH+](C)C ZINC001315029513 1071558388 /nfs/dbraw/zinc/55/83/88/1071558388.db2.gz WOPBDARFRUQEPD-IEBWSBKVSA-N 1 0 484.670 3.990 20 0 JHADRO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001313921493 1071562018 /nfs/dbraw/zinc/56/20/18/1071562018.db2.gz MXAIFPYBNDJRQB-GMAHTHKFSA-N 1 0 482.673 3.653 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N(C)[C@@H](CF)c2ccc(Br)cc2)CC1 ZINC001313921661 1071562544 /nfs/dbraw/zinc/56/25/44/1071562544.db2.gz SGLWPSGZYKIECY-JXFKEZNVSA-N 1 0 467.431 3.522 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001315037414 1071570210 /nfs/dbraw/zinc/57/02/10/1071570210.db2.gz VQQPQYZABXPYFR-KRWDZBQOSA-N 1 0 478.588 3.629 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC001313923022 1071566358 /nfs/dbraw/zinc/56/63/58/1071566358.db2.gz ZNPBSJVQHQXVFD-GOSISDBHSA-N 1 0 470.593 3.657 20 0 JHADRO CCN1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1=O ZINC001313924352 1071570332 /nfs/dbraw/zinc/57/03/32/1071570332.db2.gz HJBJRKVZWRXGMS-OAQYLSRUSA-N 1 0 472.703 3.914 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001315034703 1071566945 /nfs/dbraw/zinc/56/69/45/1071566945.db2.gz KAHSFSRTRMBAIM-FDDCHVKYSA-N 1 0 482.654 3.671 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313923883 1071568146 /nfs/dbraw/zinc/56/81/46/1071568146.db2.gz ACCDKUHUNRFMDP-FGZHOGPDSA-N 1 0 484.689 3.861 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313924447 1071571009 /nfs/dbraw/zinc/57/10/09/1071571009.db2.gz GBWGMRWYJCCZAI-ICSRJNTNSA-N 1 0 480.579 3.758 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313925037 1071572125 /nfs/dbraw/zinc/57/21/25/1071572125.db2.gz LIWVEHDABAKMHH-REWPJTCUSA-N 1 0 472.703 3.702 20 0 JHADRO CCN1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCC2)CC1=O ZINC001313925113 1071572749 /nfs/dbraw/zinc/57/27/49/1071572749.db2.gz VILYNLUVWWZRFH-UHFFFAOYSA-N 1 0 495.455 3.708 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313925204 1071572764 /nfs/dbraw/zinc/57/27/64/1071572764.db2.gz MUOASVZMIZSAMQ-MOPGFXCFSA-N 1 0 461.054 3.628 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313925374 1071573450 /nfs/dbraw/zinc/57/34/50/1071573450.db2.gz PFBJDODXQAFUPB-SFTDATJTSA-N 1 0 484.689 3.861 20 0 JHADRO CNC(=O)CCN(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001315041533 1071573742 /nfs/dbraw/zinc/57/37/42/1071573742.db2.gz XBOTXKQLAMCUOB-QFIPXVFZSA-N 1 0 454.663 3.741 20 0 JHADRO CNC(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001315042561 1071574693 /nfs/dbraw/zinc/57/46/93/1071574693.db2.gz HQDFMHDGWSMXIC-UHFFFAOYSA-N 1 0 489.462 3.546 20 0 JHADRO CNC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001315044968 1071576613 /nfs/dbraw/zinc/57/66/13/1071576613.db2.gz LKQZFNCNDJHGMC-RBUKOAKNSA-N 1 0 459.038 3.825 20 0 JHADRO CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001313926760 1071577399 /nfs/dbraw/zinc/57/73/99/1071577399.db2.gz XVYNYLRZTZHKRE-INIZCTEOSA-N 1 0 467.431 3.719 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313926780 1071578277 /nfs/dbraw/zinc/57/82/77/1071578277.db2.gz YCLFFTCGESVDGT-RTBURBONSA-N 1 0 461.054 3.628 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313927053 1071578816 /nfs/dbraw/zinc/57/88/16/1071578816.db2.gz ZCRAWWOCCROSFV-RTWAWAEBSA-N 1 0 494.606 3.827 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313927332 1071579832 /nfs/dbraw/zinc/57/98/32/1071579832.db2.gz JCQLAHDCBRISRY-OAQYLSRUSA-N 1 0 456.654 3.906 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313927341 1071579867 /nfs/dbraw/zinc/57/98/67/1071579867.db2.gz JSGJBKBUDHOTSM-PMACEKPBSA-N 1 0 483.611 3.766 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313927852 1071581751 /nfs/dbraw/zinc/58/17/51/1071581751.db2.gz PCTKYYYAONNBHD-NFBKMPQASA-N 1 0 454.663 3.736 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001315056782 1071582006 /nfs/dbraw/zinc/58/20/06/1071582006.db2.gz SKDSNVNPVCJKJK-UHFFFAOYSA-N 1 0 481.689 3.826 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313927767 1071581979 /nfs/dbraw/zinc/58/19/79/1071581979.db2.gz LZRHWJMGODQCHD-PZJWPPBQSA-N 1 0 486.627 3.585 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001313928166 1071583334 /nfs/dbraw/zinc/58/33/34/1071583334.db2.gz QZXFAVTZJFZDAG-HXUWFJFHSA-N 1 0 483.686 3.838 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC2([NH+](C)C)CCC2)C1 ZINC001315074628 1071586558 /nfs/dbraw/zinc/58/65/58/1071586558.db2.gz QXMRGESQRBPYEI-HNNXBMFYSA-N 1 0 494.409 3.720 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCNC(=O)C(C)C)C[C@H]1C ZINC001313928330 1071583874 /nfs/dbraw/zinc/58/38/74/1071583874.db2.gz AMHIWONTPGZXCD-WOJBJXKFSA-N 1 0 491.080 3.991 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2ccnc2C)C[C@H]1C ZINC001313930262 1071588673 /nfs/dbraw/zinc/58/86/73/1071588673.db2.gz AULWWPXMYHYRIK-MRXNPFEDSA-N 1 0 490.425 3.972 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001315079922 1071589369 /nfs/dbraw/zinc/58/93/69/1071589369.db2.gz XQZJUGCOLCMVEG-QFIPXVFZSA-N 1 0 453.631 3.900 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313930953 1071590811 /nfs/dbraw/zinc/59/08/11/1071590811.db2.gz OWCIMGJNWJHRBF-MSOLQXFVSA-N 1 0 486.558 3.972 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313932375 1071595040 /nfs/dbraw/zinc/59/50/40/1071595040.db2.gz VHFOCDZAGNDMCH-LEWJYISDSA-N 1 0 486.636 3.880 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2nc(C)cc2C)C[C@@H]1C ZINC001313932495 1071595620 /nfs/dbraw/zinc/59/56/20/1071595620.db2.gz IARWGQNKOJSHNG-IBGZPJMESA-N 1 0 473.572 3.981 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001313933518 1071598404 /nfs/dbraw/zinc/59/84/04/1071598404.db2.gz ZKDNPCGSKNNNNX-CVDCTZTESA-N 1 0 476.616 3.850 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2csc(C)n2)C[C@H]1C ZINC001313933703 1071599216 /nfs/dbraw/zinc/59/92/16/1071599216.db2.gz MTKQQUOXQXWTMI-CYBMUJFWSA-N 1 0 464.437 3.574 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(F)cccc2Cl)C[C@@H]1C ZINC001313933897 1071599795 /nfs/dbraw/zinc/59/97/95/1071599795.db2.gz OKKSKXGTNXLQDU-GAJHUEQPSA-N 1 0 466.001 3.690 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCOCC(F)F)C[C@@H]1C ZINC001313934306 1071601715 /nfs/dbraw/zinc/60/17/15/1071601715.db2.gz RCRPWFZMJKEEHZ-ZDUSSCGKSA-N 1 0 476.341 3.659 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCOC2)C[C@H]1C ZINC001313934241 1071601812 /nfs/dbraw/zinc/60/18/12/1071601812.db2.gz QSIBLCJBRCSAHD-HZPDHXFCSA-N 1 0 466.399 3.804 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCOC[C@H]2C)C[C@@H]1C ZINC001313934505 1071602926 /nfs/dbraw/zinc/60/29/26/1071602926.db2.gz ASECRUFXBYQIQB-URVUXULASA-N 1 0 471.646 3.944 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313935575 1071606127 /nfs/dbraw/zinc/60/61/27/1071606127.db2.gz IKRKEARMNGVHGC-KRWDZBQOSA-N 1 0 486.617 3.508 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCO[C@H]2C(C)C)C[C@H]1C ZINC001313935872 1071607411 /nfs/dbraw/zinc/60/74/11/1071607411.db2.gz JYQOWSIQFKPVCX-MSYCTHLASA-N 1 0 457.619 3.554 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCCn2ccnc2C)C[C@@H]1C ZINC001313936226 1071607892 /nfs/dbraw/zinc/60/78/92/1071607892.db2.gz NQVVZDQQXOHRBT-KRWDZBQOSA-N 1 0 472.435 3.833 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C)CCOCC2)C[C@H]1C ZINC001313936415 1071608485 /nfs/dbraw/zinc/60/84/85/1071608485.db2.gz FQLKUZUSCLXPCY-HXUWFJFHSA-N 1 0 490.693 3.740 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC001313936559 1071608574 /nfs/dbraw/zinc/60/85/74/1071608574.db2.gz GDIPHDQHHVPCSO-OXJNMPFZSA-N 1 0 478.435 3.870 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001313936603 1071609090 /nfs/dbraw/zinc/60/90/90/1071609090.db2.gz GKRBIXMMRFBUOF-UNMCSNQZSA-N 1 0 483.661 3.675 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)cc2C)C[C@H]1C ZINC001313937389 1071610979 /nfs/dbraw/zinc/61/09/79/1071610979.db2.gz MBBWRLTXJKZHRV-GGAORHGYSA-N 1 0 498.672 3.782 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCOC(F)(F)F)C[C@H]1C ZINC001313939587 1071613365 /nfs/dbraw/zinc/61/33/65/1071613365.db2.gz DKNDEKITTXUCAQ-MRXNPFEDSA-N 1 0 450.509 3.807 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCc3ccccc3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001313940004 1071614115 /nfs/dbraw/zinc/61/41/15/1071614115.db2.gz JJLIQGYMTRJXPU-IBGZPJMESA-N 1 0 486.462 3.643 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001313942266 1071618887 /nfs/dbraw/zinc/61/88/87/1071618887.db2.gz HIWLBRLGGXAYCM-UYAOXDASSA-N 1 0 469.552 3.972 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(C(C)(C)C)n3CCCCC[NH+]3CCCC3)CC2)C1=O ZINC001313942197 1071619681 /nfs/dbraw/zinc/61/96/81/1071619681.db2.gz FUZQHYFMUKJILN-UHFFFAOYSA-N 1 0 459.683 3.568 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)COc2ccccc2OC)C[C@H]1C ZINC001313945114 1071626293 /nfs/dbraw/zinc/62/62/93/1071626293.db2.gz YINGCMYFBROZJU-TZIWHRDSSA-N 1 0 464.614 3.903 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CSCCS2)C[C@H]1C ZINC001313943633 1071623781 /nfs/dbraw/zinc/62/37/81/1071623781.db2.gz UJTZSUYNCROEDX-TZIWHRDSSA-N 1 0 461.701 3.853 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CCCC(C)C)C2)CC1 ZINC001313943871 1071623794 /nfs/dbraw/zinc/62/37/94/1071623794.db2.gz WSVGGOYHILLZNW-DEOSSOPVSA-N 1 0 481.689 3.800 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCOC(F)(F)F)C[C@H]1C ZINC001313943981 1071624524 /nfs/dbraw/zinc/62/45/24/1071624524.db2.gz UGVMIMRXRMHBIX-QGZVFWFLSA-N 1 0 463.508 3.588 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCCOCC(C)C)C[C@@H]1C ZINC001313945301 1071626132 /nfs/dbraw/zinc/62/61/32/1071626132.db2.gz ZXVFMUJRNBATQU-NRFANRHFSA-N 1 0 495.672 3.829 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CC[C@@H](C)c3ccc(OC)cc3)C2)CC1 ZINC001313946403 1071628568 /nfs/dbraw/zinc/62/85/68/1071628568.db2.gz BQDMYGOVPRKJHF-ISKFKSNPSA-N 1 0 468.690 3.895 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)C[C@@H]1C ZINC001313946815 1071629949 /nfs/dbraw/zinc/62/99/49/1071629949.db2.gz CMHCYFURLVQFGJ-MZLICYQSSA-N 1 0 459.610 3.978 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CCCn2cc(Br)cn2)C[C@H]1C ZINC001313947008 1071630538 /nfs/dbraw/zinc/63/05/38/1071630538.db2.gz UPRAOALRLNOBOJ-QGZVFWFLSA-N 1 0 490.425 3.588 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2csc([C@H](C)OC)n2)C[C@@H]1C ZINC001313947424 1071631639 /nfs/dbraw/zinc/63/16/39/1071631639.db2.gz HCIFTFBFNFHNOW-ROUUACIJSA-N 1 0 486.642 3.608 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001313948163 1071633336 /nfs/dbraw/zinc/63/33/36/1071633336.db2.gz JOXPFDGNLBOMAI-GOSISDBHSA-N 1 0 486.592 3.878 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001313950754 1071639360 /nfs/dbraw/zinc/63/93/60/1071639360.db2.gz QNLRGTORTACJIJ-SFTDATJTSA-N 1 0 475.081 3.735 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@@H]1C ZINC001313949419 1071636387 /nfs/dbraw/zinc/63/63/87/1071636387.db2.gz QCFFYULMLZTZDZ-FDCLOXCDSA-N 1 0 473.662 3.845 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)c2cc(C)oc2C)C[C@H]1C ZINC001313949421 1071636514 /nfs/dbraw/zinc/63/65/14/1071636514.db2.gz QCFFYULMLZTZDZ-RXMFSQCZSA-N 1 0 473.662 3.845 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001313950372 1071638025 /nfs/dbraw/zinc/63/80/25/1071638025.db2.gz VHILZQYLIQKFRK-NQSCKRDGSA-N 1 0 472.609 3.505 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313950735 1071638747 /nfs/dbraw/zinc/63/87/47/1071638747.db2.gz WQKCEOSCXPUVLM-IBGZPJMESA-N 1 0 468.568 3.580 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCC[C@H](c3nc(C(C)C)cs3)C2)CC1 ZINC001313950490 1071638857 /nfs/dbraw/zinc/63/88/57/1071638857.db2.gz PXHZIOFSCDUGLV-CTNGQTDRSA-N 1 0 459.708 3.824 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313952316 1071645029 /nfs/dbraw/zinc/64/50/29/1071645029.db2.gz DOWVYCPWPDTMIR-QGZVFWFLSA-N 1 0 475.563 3.601 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)nnc2C(C)(C)C)CC1 ZINC001313951045 1071640605 /nfs/dbraw/zinc/64/06/05/1071640605.db2.gz CXKWRXYNDUAVHT-NPPFBWRTSA-N 1 0 471.521 3.869 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313951262 1071641109 /nfs/dbraw/zinc/64/11/09/1071641109.db2.gz SIDHQLVQPGYLBL-ZJSXRUAMSA-N 1 0 486.730 3.949 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C2CC2)CC1 ZINC001313951718 1071643013 /nfs/dbraw/zinc/64/30/13/1071643013.db2.gz VMBGLQDNCNFZJF-OALUTQOASA-N 1 0 461.054 3.944 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313952067 1071644393 /nfs/dbraw/zinc/64/43/93/1071644393.db2.gz XOZVHAONHULWJP-IBGZPJMESA-N 1 0 492.590 3.926 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC([C@@H]4CC4(F)F)CC3)nnc2C(C)(C)C)CC1 ZINC001313952147 1071644426 /nfs/dbraw/zinc/64/44/26/1071644426.db2.gz NQNOVJOLTPLPMU-QUCCMNQESA-N 1 0 452.638 3.721 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313952597 1071646564 /nfs/dbraw/zinc/64/65/64/1071646564.db2.gz RYMQKOYTXYLPEY-YCRNBWNJSA-N 1 0 476.616 3.879 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@H](COC)C2)CC1 ZINC001313953052 1071647653 /nfs/dbraw/zinc/64/76/53/1071647653.db2.gz FPYVDDWFANHWED-LJQANCHMSA-N 1 0 479.044 3.628 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001313953760 1071648420 /nfs/dbraw/zinc/64/84/20/1071648420.db2.gz KSZZRFUGWYPXCD-MIZPHKNDSA-N 1 0 475.081 3.733 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313953646 1071648998 /nfs/dbraw/zinc/64/89/98/1071648998.db2.gz KALOKQUNMRPEGA-PLQXJYEYSA-N 1 0 498.716 3.510 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3c[nH]c4ccccc34)nnc2N(C)CC(F)(F)F)CC1 ZINC001313953766 1071650045 /nfs/dbraw/zinc/65/00/45/1071650045.db2.gz KYLLDBNQZQHOGQ-QGZVFWFLSA-N 1 0 463.552 3.699 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313954115 1071650632 /nfs/dbraw/zinc/65/06/32/1071650632.db2.gz APPWQDLYRAEQAU-FCHUYYIVSA-N 1 0 479.648 3.874 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC001313954429 1071651684 /nfs/dbraw/zinc/65/16/84/1071651684.db2.gz QPKIRZGJLKDSIY-XMMPIXPASA-N 1 0 472.653 3.611 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001313954516 1071651781 /nfs/dbraw/zinc/65/17/81/1071651781.db2.gz PHNQZEWQZCBXDC-UHFFFAOYSA-N 1 0 485.080 3.695 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313954699 1071652351 /nfs/dbraw/zinc/65/23/51/1071652351.db2.gz CAORXEDJVSZDSA-AJTFRIOCSA-N 1 0 468.690 3.778 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001313954693 1071652513 /nfs/dbraw/zinc/65/25/13/1071652513.db2.gz PCLQTGJNWJEEEB-NRFANRHFSA-N 1 0 467.637 3.723 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313955060 1071654073 /nfs/dbraw/zinc/65/40/73/1071654073.db2.gz DWHRZPDXSSXEMY-OAQYLSRUSA-N 1 0 464.658 3.989 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313955554 1071655421 /nfs/dbraw/zinc/65/54/21/1071655421.db2.gz SPBNBFRFTDJETG-NRFANRHFSA-N 1 0 482.652 3.506 20 0 JHADRO CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCC[NH+]1CCN(CC)CC1)C(C)C ZINC001313958015 1071662408 /nfs/dbraw/zinc/66/24/08/1071662408.db2.gz NBHRAPSOVDDASC-UHFFFAOYSA-N 1 0 493.494 3.979 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(Cn3nc(C)cc3C)CC2)CC1 ZINC001313956082 1071657412 /nfs/dbraw/zinc/65/74/12/1071657412.db2.gz KCCISERSGCJKCJ-JOCHJYFZSA-N 1 0 498.764 3.870 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313958090 1071662520 /nfs/dbraw/zinc/66/25/20/1071662520.db2.gz TVWZPJATRNKEHW-UGKGYDQZSA-N 1 0 491.775 3.629 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC[C@H](C)C2)CC1 ZINC001313957115 1071659562 /nfs/dbraw/zinc/65/95/62/1071659562.db2.gz OTBGJMHSZJEXQT-ZEQRLZLVSA-N 1 0 452.691 3.963 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313957822 1071661161 /nfs/dbraw/zinc/66/11/61/1071661161.db2.gz JSQZABUJYDSLPI-IBGZPJMESA-N 1 0 491.080 3.638 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313957941 1071661839 /nfs/dbraw/zinc/66/18/39/1071661839.db2.gz SNKAWCCNBXMEHO-GUDVDZBRSA-N 1 0 458.617 3.775 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCCC2(C)C)CC1 ZINC001313958107 1071663124 /nfs/dbraw/zinc/66/31/24/1071663124.db2.gz UCKOSGKRIKVKCZ-JOCHJYFZSA-N 1 0 468.690 3.724 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313958756 1071664608 /nfs/dbraw/zinc/66/46/08/1071664608.db2.gz XXELOMDIZNORMD-AQNXPRMDSA-N 1 0 480.673 3.932 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001313958830 1071665287 /nfs/dbraw/zinc/66/52/87/1071665287.db2.gz YGUMXVDQCFRRPF-RCZVLFRGSA-N 1 0 498.716 3.609 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)ccc3C)nnc2N2CCCC2(C)C)CC1 ZINC001313959953 1071668708 /nfs/dbraw/zinc/66/87/08/1071668708.db2.gz CRYMVBPKYAQKHN-UHFFFAOYSA-N 1 0 454.663 3.880 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001313959980 1071668743 /nfs/dbraw/zinc/66/87/43/1071668743.db2.gz DBRBRYQVGFODEG-JOCHJYFZSA-N 1 0 472.703 3.522 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(Br)c3)nnc2N(C)CCC(F)F)CC1 ZINC001313960313 1071669778 /nfs/dbraw/zinc/66/97/78/1071669778.db2.gz IGSKOPJKLDZVLS-UHFFFAOYSA-N 1 0 485.421 3.827 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC3CC3)nnc2N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC001313961878 1071673941 /nfs/dbraw/zinc/67/39/41/1071673941.db2.gz XRFVOVSWNJSQTI-UHFFFAOYSA-N 1 0 464.580 3.913 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001313963694 1071678391 /nfs/dbraw/zinc/67/83/91/1071678391.db2.gz PZXVZVYLLLJUOH-UHFFFAOYSA-N 1 0 456.635 3.710 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001313968308 1071692203 /nfs/dbraw/zinc/69/22/03/1071692203.db2.gz UHKPLBYSWLFYOC-QFIPXVFZSA-N 1 0 477.657 3.547 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001313972299 1071698116 /nfs/dbraw/zinc/69/81/16/1071698116.db2.gz IRNSAIYZMGNVCL-UHFFFAOYSA-N 1 0 496.700 3.991 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001313972377 1071698169 /nfs/dbraw/zinc/69/81/69/1071698169.db2.gz CHQVJBLYCPLKOW-QFIPXVFZSA-N 1 0 480.701 3.926 20 0 JHADRO CCNC(=O)C1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC001313975838 1071706848 /nfs/dbraw/zinc/70/68/48/1071706848.db2.gz FPOJGVLSJXGREK-UHFFFAOYSA-N 1 0 489.064 3.834 20 0 JHADRO CCNC(=O)C1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CC3CCCCC3)CC2)CCC1 ZINC001313978384 1071712570 /nfs/dbraw/zinc/71/25/70/1071712570.db2.gz IWNPCTFXQVGHFR-UHFFFAOYSA-N 1 0 458.695 3.875 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313996932 1071733965 /nfs/dbraw/zinc/73/39/65/1071733965.db2.gz QKXHVOXUAFPSKD-VXKWHMMOSA-N 1 0 481.689 3.863 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001314007408 1071743339 /nfs/dbraw/zinc/74/33/39/1071743339.db2.gz KZCDNNOXZJAUGA-JOCHJYFZSA-N 1 0 486.661 3.944 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001314007409 1071743359 /nfs/dbraw/zinc/74/33/59/1071743359.db2.gz KZCDNNOXZJAUGA-QFIPXVFZSA-N 1 0 486.661 3.944 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001314009666 1071746149 /nfs/dbraw/zinc/74/61/49/1071746149.db2.gz XGUISXFHLCCHIV-HSZRJFAPSA-N 1 0 454.619 3.789 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001314012497 1071747844 /nfs/dbraw/zinc/74/78/44/1071747844.db2.gz IMZXQQOQNJLZBN-UHFFFAOYSA-N 1 0 469.634 3.580 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314012847 1071748710 /nfs/dbraw/zinc/74/87/10/1071748710.db2.gz AQFSOQAXLQMNPN-IBGZPJMESA-N 1 0 472.609 3.873 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+](CC)CC)CC1 ZINC001314012922 1071749120 /nfs/dbraw/zinc/74/91/20/1071749120.db2.gz BCVXAWMKGPDRCB-UHFFFAOYSA-N 1 0 478.041 3.783 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001314013120 1071750101 /nfs/dbraw/zinc/75/01/01/1071750101.db2.gz QGMJBYUCIMKSAY-UHFFFAOYSA-N 1 0 490.693 3.882 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+](CC)C(C)C)CC1 ZINC001314015032 1071756266 /nfs/dbraw/zinc/75/62/66/1071756266.db2.gz ANMICMBXUFZKIQ-UHFFFAOYSA-N 1 0 474.625 3.795 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+](C)[C@@H](C)CC)CC1 ZINC001314015061 1071756752 /nfs/dbraw/zinc/75/67/52/1071756752.db2.gz BCZXAIYTMHODEJ-SFHVURJKSA-N 1 0 492.615 3.935 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001314017709 1071763651 /nfs/dbraw/zinc/76/36/51/1071763651.db2.gz WGJWEDONFIQNEV-STZQEDGTSA-N 1 0 490.693 3.737 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001314018197 1071764677 /nfs/dbraw/zinc/76/46/77/1071764677.db2.gz ZUCYLBPFHIZDCZ-RZUBCFFCSA-N 1 0 476.666 3.555 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001314018387 1071764734 /nfs/dbraw/zinc/76/47/34/1071764734.db2.gz MMALQMWAGIUJQC-FQEVSTJZSA-N 1 0 489.690 3.565 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001314022711 1071777042 /nfs/dbraw/zinc/77/70/42/1071777042.db2.gz TXZLXOBHJHHGOB-FQEVSTJZSA-N 1 0 456.635 3.666 20 0 JHADRO CCOC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001314023499 1071779254 /nfs/dbraw/zinc/77/92/54/1071779254.db2.gz GIJBNGXZGSTCSA-NHCUHLMSSA-N 1 0 490.693 3.740 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001314024005 1071780708 /nfs/dbraw/zinc/78/07/08/1071780708.db2.gz OQMZIGBGSMRTKE-JOCHJYFZSA-N 1 0 484.645 3.564 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCC[N@H+](C)Cc2ccccc2)C1 ZINC001314032063 1071806456 /nfs/dbraw/zinc/80/64/56/1071806456.db2.gz KDXCRKDJGQAYRO-JOCHJYFZSA-N 1 0 477.613 3.577 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001314033328 1071813003 /nfs/dbraw/zinc/81/30/03/1071813003.db2.gz NVGZOYLFZALGSA-WOJBJXKFSA-N 1 0 496.612 3.782 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001314035206 1071821717 /nfs/dbraw/zinc/82/17/17/1071821717.db2.gz WBJCZQVCPXXMFM-ICSRJNTNSA-N 1 0 458.607 3.683 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc([C@H](C)CC)n2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001314036528 1071827359 /nfs/dbraw/zinc/82/73/59/1071827359.db2.gz OKTIXVOGRCUIJU-PKTZIBPZSA-N 1 0 497.688 3.719 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(CC)n2CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001314038577 1071835662 /nfs/dbraw/zinc/83/56/62/1071835662.db2.gz RHDVPJLXTNFNLE-IBGZPJMESA-N 1 0 460.648 3.529 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001314037817 1071831817 /nfs/dbraw/zinc/83/18/17/1071831817.db2.gz OEDUBBQIPGQGCO-JOCHJYFZSA-N 1 0 489.064 3.969 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCCCC[NH+]2CCCC2)C1 ZINC001314037977 1071832652 /nfs/dbraw/zinc/83/26/52/1071832652.db2.gz HIQGTEMWIZYUMX-NRFANRHFSA-N 1 0 469.634 3.630 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001314038924 1071836262 /nfs/dbraw/zinc/83/62/62/1071836262.db2.gz ZEWOPMGNOPELSA-XUVXKRRUSA-N 1 0 488.608 3.756 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(C3CCC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001314040123 1071840260 /nfs/dbraw/zinc/84/02/60/1071840260.db2.gz MLUOLCVRFFPNFO-VXKWHMMOSA-N 1 0 454.619 3.872 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001314041128 1071843017 /nfs/dbraw/zinc/84/30/17/1071843017.db2.gz AWZKSSCXFHMRSI-OAQYLSRUSA-N 1 0 484.645 3.673 20 0 JHADRO CCOC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001314041825 1071845281 /nfs/dbraw/zinc/84/52/81/1071845281.db2.gz NNQWPJSLSXJPFL-OAQYLSRUSA-N 1 0 489.064 3.741 20 0 JHADRO CCOC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001314042673 1071849554 /nfs/dbraw/zinc/84/95/54/1071849554.db2.gz COPQVOLQKKCZPV-FQEVSTJZSA-N 1 0 499.635 3.818 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314043239 1071851929 /nfs/dbraw/zinc/85/19/29/1071851929.db2.gz CJUUZPNYVZDADF-FYYLOGMGSA-N 1 0 483.661 3.633 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001314044784 1071858054 /nfs/dbraw/zinc/85/80/54/1071858054.db2.gz VVLFWVXZZNGAOY-XZOQPEGZSA-N 1 0 484.645 3.735 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccsc2)[NH+](CC)CC)C1 ZINC001314044776 1071858087 /nfs/dbraw/zinc/85/80/87/1071858087.db2.gz VSEQJMPLDLWVPA-QHAWAJNXSA-N 1 0 490.674 3.989 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001314046572 1071863288 /nfs/dbraw/zinc/86/32/88/1071863288.db2.gz WERJWBVYKPRQAU-PZJWPPBQSA-N 1 0 474.675 3.910 20 0 JHADRO CCO[C@H](CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)C(C)C ZINC001314061482 1071898695 /nfs/dbraw/zinc/89/86/95/1071898695.db2.gz UMYRZOVKRTWVBL-LZBANZJXSA-N 1 0 462.683 3.568 20 0 JHADRO CCO[C@H](C)c1noc(CN(C)c2nnc(-c3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001314060699 1071896421 /nfs/dbraw/zinc/89/64/21/1071896421.db2.gz CLXDOJGPAUYLBO-IEBWSBKVSA-N 1 0 468.606 3.577 20 0 JHADRO CCO[C@@H](C)c1noc(CN(C)c2nnc(-c3ccc[nH]3)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001314061973 1071899840 /nfs/dbraw/zinc/89/98/40/1071899840.db2.gz HEWGIVXIVVMDSB-KRWDZBQOSA-N 1 0 456.595 3.655 20 0 JHADRO CCO[C@@H](CCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC001314067911 1071916055 /nfs/dbraw/zinc/91/60/55/1071916055.db2.gz ZQCZFLGEOGDQCI-DEOSSOPVSA-N 1 0 463.630 3.817 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CCOC1 ZINC001314073635 1071927337 /nfs/dbraw/zinc/92/73/37/1071927337.db2.gz FRYIUHHUPDQSES-IBVKSMDESA-N 1 0 471.646 3.955 20 0 JHADRO 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CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001306262764 1068674665 /nfs/dbraw/zinc/67/46/65/1068674665.db2.gz DAWPLEWULJSDIW-NSISKUIASA-N 1 0 457.619 3.936 20 0 JHADRO CC[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+](C)C1CCCC1 ZINC001306265082 1068679375 /nfs/dbraw/zinc/67/93/75/1068679375.db2.gz TVGHHIFUBJIBRJ-XXBNENTESA-N 1 0 488.702 3.695 20 0 JHADRO CC[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC[N@H+](C)C(C)C ZINC001306265209 1068679504 /nfs/dbraw/zinc/67/95/04/1068679504.db2.gz UOBAHLRLVJGHPF-KNQAVFIVSA-N 1 0 476.691 3.551 20 0 JHADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(Cc2ccccc2OC)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001306276660 1068689708 /nfs/dbraw/zinc/68/97/08/1068689708.db2.gz WPYJJSLSZYLMLJ-QNWVGRARSA-N 1 0 454.663 3.528 20 0 JHADRO CC[C@@H]1c2ccsc2CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001306283777 1068701024 /nfs/dbraw/zinc/70/10/24/1068701024.db2.gz VKOKMOISGASYLM-POAQFYNOSA-N 1 0 494.731 3.584 20 0 JHADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306304825 1068722042 /nfs/dbraw/zinc/72/20/42/1068722042.db2.gz WVXHJYFBXPTEKL-KTIHBUSBSA-N 1 0 480.723 3.558 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1Cl ZINC001306312771 1068731454 /nfs/dbraw/zinc/73/14/54/1068731454.db2.gz HLYYWMOGTNNHMP-HXUWFJFHSA-N 1 0 489.064 3.947 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H](C)OCCOC)nnc1N1CCOC2(CCCCC2)C1 ZINC001306315592 1068734635 /nfs/dbraw/zinc/73/46/35/1068734635.db2.gz BBNCFTPMEWABSJ-YADHBBJMSA-N 1 0 463.667 3.806 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)OCCOC)nnc1N1CCc2ccc(F)cc2C1 ZINC001306316057 1068735693 /nfs/dbraw/zinc/73/56/93/1068735693.db2.gz CXRDISVREWBPCW-AUSIDOKSSA-N 1 0 459.610 3.968 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC001306316055 1068735761 /nfs/dbraw/zinc/73/57/61/1068735761.db2.gz CXQDETLFEPUUKH-QHCPKHFHSA-N 1 0 485.652 3.566 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCO[C@H](C)C1 ZINC001306317980 1068739871 /nfs/dbraw/zinc/73/98/71/1068739871.db2.gz CKFPXPJNDQZCIJ-UXHICEINSA-N 1 0 457.619 3.842 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001306317969 1068740691 /nfs/dbraw/zinc/74/06/91/1068740691.db2.gz MBNACHDYXUNZFQ-FQEVSTJZSA-N 1 0 480.078 3.876 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCO[C@H](C)C1 ZINC001306319266 1068744609 /nfs/dbraw/zinc/74/46/09/1068744609.db2.gz RYYUOHCQHKWTBL-TZIWHRDSSA-N 1 0 487.645 3.851 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001306319776 1068746596 /nfs/dbraw/zinc/74/65/96/1068746596.db2.gz WOHXYNLIEBJHFK-UNMCSNQZSA-N 1 0 489.064 3.599 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)CC1 ZINC001306319963 1068747479 /nfs/dbraw/zinc/74/74/79/1068747479.db2.gz XZKQYTNKXLDCQO-ISKFKSNPSA-N 1 0 482.673 3.968 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSCC1 ZINC001306319804 1068747600 /nfs/dbraw/zinc/74/76/00/1068747600.db2.gz XCMKLIWWYBSNTG-LJQANCHMSA-N 1 0 475.659 3.789 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001306320229 1068748620 /nfs/dbraw/zinc/74/86/20/1068748620.db2.gz RSFAOAFELDTVGD-SFHLNBCPSA-N 1 0 491.727 3.943 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001306320967 1068750071 /nfs/dbraw/zinc/75/00/71/1068750071.db2.gz CRBIBCRULDWURD-VXKWHMMOSA-N 1 0 476.666 3.699 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001306321091 1068750874 /nfs/dbraw/zinc/75/08/74/1068750874.db2.gz YVTIXTJWIBDMBY-HXUWFJFHSA-N 1 0 480.078 3.876 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N(C)[C@@H](C)CC(N)=O)nnc1C1(c2ccccc2)CCC1 ZINC001306321060 1068750983 /nfs/dbraw/zinc/75/09/83/1068750983.db2.gz ASQWZKVVBZSUSK-RBBKRZOGSA-N 1 0 452.647 3.713 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001306322104 1068752929 /nfs/dbraw/zinc/75/29/29/1068752929.db2.gz CILDPQDCNBMXFX-QFIPXVFZSA-N 1 0 470.662 3.913 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N(C)CCOc1ccc(F)cc1 ZINC001306322034 1068753151 /nfs/dbraw/zinc/75/31/51/1068753151.db2.gz IJOGYBJOWNPMRR-HXUWFJFHSA-N 1 0 453.566 3.654 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306323255 1068756400 /nfs/dbraw/zinc/75/64/00/1068756400.db2.gz NWXFQCIDNHRDJG-DHIUTWEWSA-N 1 0 474.694 3.867 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306323258 1068756560 /nfs/dbraw/zinc/75/65/60/1068756560.db2.gz NWXFQCIDNHRDJG-XZOQPEGZSA-N 1 0 474.694 3.867 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001306324046 1068758482 /nfs/dbraw/zinc/75/84/82/1068758482.db2.gz NBEKESJIFNWEGJ-WIOPSUGQSA-N 1 0 495.716 3.906 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001306326428 1068764376 /nfs/dbraw/zinc/76/43/76/1068764376.db2.gz ZAMGWAVYMZFHFE-XMMPIXPASA-N 1 0 475.641 3.912 20 0 JHADRO CC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CC[NH+](CC)CC2)C1 ZINC001306340908 1068777421 /nfs/dbraw/zinc/77/74/21/1068777421.db2.gz MYIXYXPPFWFBGQ-YTFSRNRJSA-N 1 0 460.711 3.851 20 0 JHADRO CC[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001306340512 1068777439 /nfs/dbraw/zinc/77/74/39/1068777439.db2.gz GMCGCSHPTDYZPX-MDNUFGMLSA-N 1 0 488.702 3.569 20 0 JHADRO CC[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001306340656 1068777564 /nfs/dbraw/zinc/77/75/64/1068777564.db2.gz XPKHJIZITLYTPK-ZCNNSNEGSA-N 1 0 488.702 3.784 20 0 JHADRO CC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001306340912 1068777582 /nfs/dbraw/zinc/77/75/82/1068777582.db2.gz CRJJIGJDTVEMBJ-MYDTUXCISA-N 1 0 460.711 3.849 20 0 JHADRO CC[C@H]1CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001306343158 1068779537 /nfs/dbraw/zinc/77/95/37/1068779537.db2.gz DGRNGCSHKHEBJO-LEWJYISDSA-N 1 0 457.619 3.698 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001306343618 1068780119 /nfs/dbraw/zinc/78/01/19/1068780119.db2.gz DCGOCHGQTGAWDK-GOSISDBHSA-N 1 0 477.539 3.574 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001306356435 1068791140 /nfs/dbraw/zinc/79/11/40/1068791140.db2.gz USELGHWXCKEQIF-VWNXMTODSA-N 1 0 482.673 3.795 20 0 JHADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](CC)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001306357575 1068792346 /nfs/dbraw/zinc/79/23/46/1068792346.db2.gz DAHSZDDWTMENLN-FQEVSTJZSA-N 1 0 452.647 3.881 20 0 JHADRO CC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001306359009 1068794537 /nfs/dbraw/zinc/79/45/37/1068794537.db2.gz OPOSNVKJQZKHRU-NJDAHSKKSA-N 1 0 453.635 3.920 20 0 JHADRO CC[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001306372036 1068805164 /nfs/dbraw/zinc/80/51/64/1068805164.db2.gz PYBHQJUNXOIUMU-UXHICEINSA-N 1 0 465.646 3.888 20 0 JHADRO CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001306372488 1068805503 /nfs/dbraw/zinc/80/55/03/1068805503.db2.gz DACUGQTYYNVLIL-KNQAVFIVSA-N 1 0 473.687 3.936 20 0 JHADRO CC[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306374840 1068807655 /nfs/dbraw/zinc/80/76/55/1068807655.db2.gz LRAZXOKAHJIBDB-CBPXPLCBSA-N 1 0 490.693 3.943 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCS1 ZINC001306385656 1068819238 /nfs/dbraw/zinc/81/92/38/1068819238.db2.gz PURHZHUZYMKATK-GGPKGHCWSA-N 1 0 476.716 3.893 20 0 JHADRO CC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2c(F)cc(F)c(F)c2F)CC[N@@H+]1CCOC ZINC001306391391 1068831336 /nfs/dbraw/zinc/83/13/36/1068831336.db2.gz WRQCXZFMLVOJOX-AWEZNQCLSA-N 1 0 457.516 3.727 20 0 JHADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)CCS1 ZINC001306393975 1068835618 /nfs/dbraw/zinc/83/56/18/1068835618.db2.gz UJTUNRGTLXWXCV-DLBZAZTESA-N 1 0 471.656 3.622 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001306393814 1068835744 /nfs/dbraw/zinc/83/57/44/1068835744.db2.gz IHZPGINJWNUTLP-YZZKKUAISA-N 1 0 463.623 3.610 20 0 JHADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCS1 ZINC001306394281 1068836475 /nfs/dbraw/zinc/83/64/75/1068836475.db2.gz WGBJQAOXEHFLKQ-VQTJNVASSA-N 1 0 471.675 3.768 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCC[C@H]2C)C[C@@H](C)O1 ZINC001306395407 1068840575 /nfs/dbraw/zinc/84/05/75/1068840575.db2.gz BTOQNCOWTVWYFG-JFIYKMOQSA-N 1 0 465.440 3.534 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCCCC2)C[C@@H](C)O1 ZINC001306396791 1068845471 /nfs/dbraw/zinc/84/54/71/1068845471.db2.gz KGAOTUHUCDROJI-SJLPKXTDSA-N 1 0 465.440 3.915 20 0 JHADRO CC[C@H]1CN(c2nnc([C@@H](C)OCCOC)n2CC2([NH+]3CCSCC3)CCCC2)CCS1 ZINC001306397127 1068846901 /nfs/dbraw/zinc/84/69/01/1068846901.db2.gz AUEUYLYJUACJJH-UXHICEINSA-N 1 0 483.748 3.696 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCS1 ZINC001306397375 1068847606 /nfs/dbraw/zinc/84/76/06/1068847606.db2.gz MITGRENTTNOCNC-PXDATVDWSA-N 1 0 495.734 3.540 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC001306398872 1068851960 /nfs/dbraw/zinc/85/19/60/1068851960.db2.gz UKTGDBIVNOCISP-AZUAARDMSA-N 1 0 473.419 3.954 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001306403261 1068866304 /nfs/dbraw/zinc/86/63/04/1068866304.db2.gz FGDPSXFAJPSBDK-DHIUTWEWSA-N 1 0 455.647 3.705 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCO2)CC[N@@H+]1CCOC ZINC001306403924 1068867682 /nfs/dbraw/zinc/86/76/82/1068867682.db2.gz HHLWLFUDURMORB-VQTJNVASSA-N 1 0 492.462 3.742 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccsc2)CC[N@@H+]1CCOC ZINC001306403555 1068867819 /nfs/dbraw/zinc/86/78/19/1068867819.db2.gz SAMADKAWXYZGGE-FQEVSTJZSA-N 1 0 471.627 3.619 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2csc(COC)n2)CC[N@@H+]1CCOC ZINC001306404950 1068870252 /nfs/dbraw/zinc/87/02/52/1068870252.db2.gz XGTIOQVQHUWSLX-FQEVSTJZSA-N 1 0 491.061 3.797 20 0 JHADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 ZINC001306405067 1068871468 /nfs/dbraw/zinc/87/14/68/1068871468.db2.gz YEQCQTPOOIIFKT-MZKRTTBSSA-N 1 0 475.081 3.876 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](C)OC)CC[N@@H+]1CCOC ZINC001306405505 1068873052 /nfs/dbraw/zinc/87/30/52/1068873052.db2.gz DORUVWPYGOFIRJ-AZUAARDMSA-N 1 0 461.676 3.857 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001306407284 1068880896 /nfs/dbraw/zinc/88/08/96/1068880896.db2.gz XSTLDFNUENFCAI-IAGOWNOFSA-N 1 0 498.491 3.621 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001306407286 1068881061 /nfs/dbraw/zinc/88/10/61/1068881061.db2.gz XSTLDFNUENFCAI-IRXDYDNUSA-N 1 0 498.491 3.621 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001306407939 1068883943 /nfs/dbraw/zinc/88/39/43/1068883943.db2.gz GAOYCMHWWAINMN-NRFANRHFSA-N 1 0 455.603 3.618 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCc2nccc(C(F)(F)F)n2)CC[N@@H+]1CCOC ZINC001306410005 1068889677 /nfs/dbraw/zinc/88/96/77/1068889677.db2.gz MMUDANLTTXMFSM-LJQANCHMSA-N 1 0 489.546 3.544 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2ccsc2)CC[N@@H+]1CCOC ZINC001306410692 1068891028 /nfs/dbraw/zinc/89/10/28/1068891028.db2.gz RSVXAXUTHSOJAA-WMZHIEFXSA-N 1 0 491.061 3.510 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CCC[C@H]2C)CCO1 ZINC001306410292 1068891069 /nfs/dbraw/zinc/89/10/69/1068891069.db2.gz RNHMGYWFDRJPND-WBVHZDCISA-N 1 0 466.399 3.946 20 0 JHADRO 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CCCC(=O)NC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306511743 1069106170 /nfs/dbraw/zinc/10/61/70/1069106170.db2.gz APMJLPPZEZPWBJ-FQEVSTJZSA-N 1 0 470.637 3.625 20 0 JHADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC001310683752 1069108287 /nfs/dbraw/zinc/10/82/87/1069108287.db2.gz KEFJFIWGNCMRFN-CYBMUJFWSA-N 1 0 454.394 3.542 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001306512613 1069108880 /nfs/dbraw/zinc/10/88/80/1069108880.db2.gz MFXBFRLSQMYAEJ-LJQANCHMSA-N 1 0 487.718 3.641 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCCCC2)CC1 ZINC001306513167 1069110529 /nfs/dbraw/zinc/11/05/29/1069110529.db2.gz UHZCOIXOMQCJNN-UHFFFAOYSA-N 1 0 452.647 3.548 20 0 JHADRO COc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(I)c1 ZINC001310688667 1069112823 /nfs/dbraw/zinc/11/28/23/1069112823.db2.gz KJNQZVRRNVFAKM-MRXNPFEDSA-N 1 0 455.296 3.851 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001306515044 1069116143 /nfs/dbraw/zinc/11/61/43/1069116143.db2.gz AWSSIDCPGGQDOB-SFTDATJTSA-N 1 0 455.651 3.670 20 0 JHADRO CNC(=O)c1cccc(NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1Br ZINC001310704060 1069121009 /nfs/dbraw/zinc/12/10/09/1069121009.db2.gz REKWVSAGHGONOJ-QGZVFWFLSA-N 1 0 459.388 3.985 20 0 JHADRO COCCC[NH+]1CCC(NC(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)CC1 ZINC001310706947 1069123498 /nfs/dbraw/zinc/12/34/98/1069123498.db2.gz JOEZQZXZFDSPQA-UHFFFAOYSA-N 1 0 459.494 3.726 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(C3CCC3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001306517748 1069129277 /nfs/dbraw/zinc/12/92/77/1069129277.db2.gz BPETWYBZQJLJQW-NFBKMPQASA-N 1 0 452.647 3.981 20 0 JHADRO COc1c(NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc(Cl)cc1C(=O)N(C)C ZINC001310717591 1069131425 /nfs/dbraw/zinc/13/14/25/1069131425.db2.gz GDMJBGJDWFJUNX-LJQANCHMSA-N 1 0 458.990 3.831 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001306519135 1069136170 /nfs/dbraw/zinc/13/61/70/1069136170.db2.gz WJMIMFKUMUUXEV-GGAORHGYSA-N 1 0 467.662 3.593 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3nnn(Cc4ccccc4F)c3C)c(C)c2)CC1 ZINC001310725060 1069137031 /nfs/dbraw/zinc/13/70/31/1069137031.db2.gz RXYJOTSCAYYZLY-UHFFFAOYSA-N 1 0 451.550 3.868 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001306519804 1069138251 /nfs/dbraw/zinc/13/82/51/1069138251.db2.gz RBRVNLXBJNVPTC-QFIPXVFZSA-N 1 0 482.673 3.962 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001306522395 1069147179 /nfs/dbraw/zinc/14/71/79/1069147179.db2.gz NEKOEHHMGDOIEJ-SESVDKBCSA-N 1 0 474.675 3.627 20 0 JHADRO COc1cc(I)ccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC001310786695 1069162097 /nfs/dbraw/zinc/16/20/97/1069162097.db2.gz KUWNROHDXOGZRY-UHFFFAOYSA-N 1 0 459.353 3.957 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001306530187 1069168674 /nfs/dbraw/zinc/16/86/74/1069168674.db2.gz CLQGZGBXOOXGQK-HHHXNRCGSA-N 1 0 468.690 3.799 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001306531066 1069171654 /nfs/dbraw/zinc/17/16/54/1069171654.db2.gz YSIRBBWBOIZGFL-NTKDMRAZSA-N 1 0 462.038 3.698 20 0 JHADRO CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)NCCC3CC[NH+](C)CC3)c2)c1 ZINC001310832544 1069183758 /nfs/dbraw/zinc/18/37/58/1069183758.db2.gz MGCDAHCFGJZJLX-UHFFFAOYSA-N 1 0 452.555 3.969 20 0 JHADRO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC001306538973 1069185930 /nfs/dbraw/zinc/18/59/30/1069185930.db2.gz AZQVJKDGODBNJW-HXUWFJFHSA-N 1 0 458.430 3.707 20 0 JHADRO CCC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001306540333 1069188131 /nfs/dbraw/zinc/18/81/31/1069188131.db2.gz BKXQKELNUWAZEK-HSZRJFAPSA-N 1 0 474.700 3.611 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)C1CC1 ZINC001310866608 1069199466 /nfs/dbraw/zinc/19/94/66/1069199466.db2.gz XQRQZFCVIGCLEW-JOCHJYFZSA-N 1 0 458.628 3.796 20 0 JHADRO C[C@@H]1[C@H](NC(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001310886617 1069209970 /nfs/dbraw/zinc/20/99/70/1069209970.db2.gz PFNLEKJQWLFKRB-KBAYOESNSA-N 1 0 458.525 3.794 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001306552219 1069217304 /nfs/dbraw/zinc/21/73/04/1069217304.db2.gz KJDZPZYINJHILZ-HJOGWXRNSA-N 1 0 488.721 3.673 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Nc2nn(CC(F)(F)F)cc2Cl)CC1 ZINC001310927537 1069223396 /nfs/dbraw/zinc/22/33/96/1069223396.db2.gz HUMIAIQNVGHITP-UHFFFAOYSA-N 1 0 458.916 3.558 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)CC1 ZINC001310929685 1069225388 /nfs/dbraw/zinc/22/53/88/1069225388.db2.gz KXNGPWIJUBDNES-CJAUYULYSA-N 1 0 455.603 3.592 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001306557790 1069227254 /nfs/dbraw/zinc/22/72/54/1069227254.db2.gz WSYAEIYJJAPFTF-LEWJYISDSA-N 1 0 452.647 3.833 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001306560294 1069230554 /nfs/dbraw/zinc/23/05/54/1069230554.db2.gz AEGIBZGHCLIZIS-MBSDFSHPSA-N 1 0 493.747 3.548 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[NH+]1CCC(C)CC1 ZINC001306570773 1069238589 /nfs/dbraw/zinc/23/85/89/1069238589.db2.gz CDAYJZBQCALHPB-IBGZPJMESA-N 1 0 451.619 3.549 20 0 JHADRO CC1CC[NH+](Cc2ccc(CNC(=O)Nc3ccc(OCCS(C)(=O)=O)cc3)cc2)CC1 ZINC001310989205 1069241694 /nfs/dbraw/zinc/24/16/94/1069241694.db2.gz OPBBDKNHMLFZTF-UHFFFAOYSA-N 1 0 459.612 3.664 20 0 JHADRO O=C(NCCN1CCN(c2ccccc2)CC1)Nc1ncc(Cc2c(F)cccc2F)s1 ZINC001311002785 1069245219 /nfs/dbraw/zinc/24/52/19/1069245219.db2.gz NWDXJTDWAMIZPE-UHFFFAOYSA-N 1 0 457.550 3.956 20 0 JHADRO CCCC(O)(CCC)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001306594548 1069266480 /nfs/dbraw/zinc/26/64/80/1069266480.db2.gz MBENEGSEOXWDQP-MOPGFXCFSA-N 1 0 457.619 3.924 20 0 JHADRO Cn1nc(C(F)(F)F)c(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCOCC2)c1Cl ZINC001311113109 1069276595 /nfs/dbraw/zinc/27/65/95/1069276595.db2.gz ZQJRPYMDCCFLNK-UHFFFAOYSA-N 1 0 459.900 3.895 20 0 JHADRO CCCc1nc(C)c(Cn2c(CC(C)C)nnc2N2CCN(C3CC[NH+](C(C)C)CC3)CC2)o1 ZINC001306612550 1069291426 /nfs/dbraw/zinc/29/14/26/1069291426.db2.gz SCMNONYOLAKYDW-UHFFFAOYSA-N 1 0 471.694 3.769 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2OCC[C@H]2C)CC[N@@H+]1CCOC ZINC001306615277 1069295516 /nfs/dbraw/zinc/29/55/16/1069295516.db2.gz WYMNADSJOJBMEY-AGILITTLSA-N 1 0 498.672 3.509 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001306615576 1069296053 /nfs/dbraw/zinc/29/60/53/1069296053.db2.gz AROPMSLSFOUGOC-GHTZIAJQSA-N 1 0 479.572 3.520 20 0 JHADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H]4COC[C@@H]4C3)c21 ZINC001164387193 718818617 /nfs/dbraw/zinc/81/86/17/718818617.db2.gz DZZCKMPFGKLRSL-OALUTQOASA-N 1 0 453.970 3.869 20 0 JHADRO COc1ccc(-c2csc3nc(-c4cccnc4)nc(N4CCN5CC[NH2+]C[C@H]5C4)c23)cc1OC ZINC001164402778 718839992 /nfs/dbraw/zinc/83/99/92/718839992.db2.gz HHFIWQWDHUGSPC-IBGZPJMESA-N 1 0 488.617 3.531 20 0 JHADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164413599 718881369 /nfs/dbraw/zinc/88/13/69/718881369.db2.gz KEUXZUUJIGFZPV-KRWDZBQOSA-N 1 0 481.588 3.666 20 0 JHADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164434848 718971179 /nfs/dbraw/zinc/97/11/79/718971179.db2.gz WGDBJRBPOBPZLK-OALUTQOASA-N 1 0 490.860 3.863 20 0 JHADRO Cc1ncc2n1CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3=O)C2 ZINC001164440890 718990604 /nfs/dbraw/zinc/99/06/04/718990604.db2.gz SRQCWKPGSNWDHT-UHFFFAOYSA-N 1 0 463.969 3.922 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(SC)n1)C2 ZINC001164615151 719007725 /nfs/dbraw/zinc/00/77/25/719007725.db2.gz HCPOKYZIRUSAGJ-BFUOFWGJSA-N 1 0 460.978 3.546 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)C2 ZINC001164617796 719008863 /nfs/dbraw/zinc/00/88/63/719008863.db2.gz PWVGFFOEUIPTRI-IERDGZPVSA-N 1 0 452.933 3.911 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)C2 ZINC001164614766 719010098 /nfs/dbraw/zinc/01/00/98/719010098.db2.gz GLAPNRZIXFJSPE-YCRPNKLZSA-N 1 0 452.933 3.911 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)C2 ZINC001164619320 719010443 /nfs/dbraw/zinc/01/04/43/719010443.db2.gz VQGVUHRRIDVYQP-WZONZLPQSA-N 1 0 494.970 3.986 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164616054 719011269 /nfs/dbraw/zinc/01/12/69/719011269.db2.gz KHGNJFCGQJZOCR-IERDGZPVSA-N 1 0 486.947 3.521 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164617380 719011821 /nfs/dbraw/zinc/01/18/21/719011821.db2.gz NSOPPLHNROLCFC-IIBYNOLFSA-N 1 0 486.947 3.521 20 0 JHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001164616001 719015637 /nfs/dbraw/zinc/01/56/37/719015637.db2.gz KGVNYLSHCZGYQX-VMDGZTHMSA-N 1 0 475.927 3.563 20 0 JHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164620786 719017749 /nfs/dbraw/zinc/01/77/49/719017749.db2.gz ZMMDEKYODVNVLV-HNJRGHQBSA-N 1 0 483.682 3.532 20 0 JHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(OC)c2)c1 ZINC001164620385 719020159 /nfs/dbraw/zinc/02/01/59/719020159.db2.gz YTGOODWWAAACBS-CCKFTAQKSA-N 1 0 451.901 3.685 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)CC2)CC1 ZINC001164618454 719031687 /nfs/dbraw/zinc/03/16/87/719031687.db2.gz XADOFUXNNIJQMH-UHFFFAOYSA-N 1 0 479.959 3.981 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C(=O)NC4CCCC4)cc3Cl)CC2)CC1 ZINC001164617528 719032004 /nfs/dbraw/zinc/03/20/04/719032004.db2.gz LMKIUFKREICDDX-UHFFFAOYSA-N 1 0 463.022 3.651 20 0 JHADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621085 719070092 /nfs/dbraw/zinc/07/00/92/719070092.db2.gz GZELOZQKRUJYLB-QPPBQGQZSA-N 1 0 473.602 3.769 20 0 JHADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@H]2CF)CC1 ZINC001164625815 719121578 /nfs/dbraw/zinc/12/15/78/719121578.db2.gz YZGTWGPQEYAJEY-UYAOXDASSA-N 1 0 467.614 3.704 20 0 JHADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)n1 ZINC001164641827 719267052 /nfs/dbraw/zinc/26/70/52/719267052.db2.gz WWVCKNZFZUXGCL-UHFFFAOYSA-N 1 0 478.626 3.912 20 0 JHADRO Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@H]3O2)n1 ZINC001164649021 719301868 /nfs/dbraw/zinc/30/18/68/719301868.db2.gz GMXWAZJFJXUQQA-JCGIZDLHSA-N 1 0 451.905 3.705 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4[nH]ccc43)CC2)c2ccccc21 ZINC001164680952 719655248 /nfs/dbraw/zinc/65/52/48/719655248.db2.gz JQQDZOCRMDILMW-KRWDZBQOSA-N 1 0 467.017 3.705 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(N4CCCCC4)nn3)CC2)c2ccccc21 ZINC001164680003 719656067 /nfs/dbraw/zinc/65/60/67/719656067.db2.gz BXDBETNVRSWFET-QFIPXVFZSA-N 1 0 476.669 3.560 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cnc(Cl)cn3)CC2)c2ccccc21 ZINC001164679932 719659021 /nfs/dbraw/zinc/65/90/21/719659021.db2.gz ALFOTNOHLQMYSH-QGZVFWFLSA-N 1 0 477.987 3.768 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cnc(Cl)cn3)CC2)c2ccccc21 ZINC001164679931 719659315 /nfs/dbraw/zinc/65/93/15/719659315.db2.gz ALFOTNOHLQMYSH-KRWDZBQOSA-N 1 0 477.987 3.768 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4cc(F)ccc43)CC2)c2ccccc21 ZINC001164685194 719659682 /nfs/dbraw/zinc/65/96/82/719659682.db2.gz YLWQGNLVMGBRHL-LJQANCHMSA-N 1 0 461.585 3.862 20 0 JHADRO CSc1ncc(Cl)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683165 719660412 /nfs/dbraw/zinc/66/04/12/719660412.db2.gz UUTHRBXDDGADNT-QGZVFWFLSA-N 1 0 474.074 3.945 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3ccc(Cl)nn3)CC2)c2ccccc21 ZINC001164684484 719661529 /nfs/dbraw/zinc/66/15/29/719661529.db2.gz XPJWEPYVPKAOOZ-KRWDZBQOSA-N 1 0 477.987 3.768 20 0 JHADRO COc1cc(Cl)ncc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680994 719665016 /nfs/dbraw/zinc/66/50/16/719665016.db2.gz KVTNEHNHUOEHOE-GOSISDBHSA-N 1 0 457.018 3.837 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4c3C(=O)OC4(C)C)CC2)c2ccccc21 ZINC001164686808 719665700 /nfs/dbraw/zinc/66/57/00/719665700.db2.gz WYSRWWREQDSZFD-IBGZPJMESA-N 1 0 476.621 3.581 20 0 JHADRO CSc1nc(Cl)ncc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164686832 719668456 /nfs/dbraw/zinc/66/84/56/719668456.db2.gz XIRHJQJIOHTEPH-KRWDZBQOSA-N 1 0 474.074 3.945 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164685485 719722310 /nfs/dbraw/zinc/72/23/10/719722310.db2.gz LPZNPZWIKPVDOB-UHFFFAOYSA-N 1 0 458.340 3.662 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164690563 719759033 /nfs/dbraw/zinc/75/90/33/719759033.db2.gz DWXIIJZEZVKAEV-UHFFFAOYSA-N 1 0 467.923 3.662 20 0 JHADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696938 719894164 /nfs/dbraw/zinc/89/41/64/719894164.db2.gz ILDJKUWQMINCAJ-UHFFFAOYSA-N 1 0 478.597 3.947 20 0 JHADRO COC(=O)c1cc2c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)[nH]c(Cl)cc-2n1 ZINC001164698216 719896174 /nfs/dbraw/zinc/89/61/74/719896174.db2.gz PQWDTNGETBRATE-UHFFFAOYSA-N 1 0 460.987 3.936 20 0 JHADRO CC1CCN(C(=O)c2cccnc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)CC1 ZINC001164696237 719897498 /nfs/dbraw/zinc/89/74/98/719897498.db2.gz DJIKWLXFMUAXTD-UHFFFAOYSA-N 1 0 454.640 3.887 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)C2 ZINC001164814272 720087809 /nfs/dbraw/zinc/08/78/09/720087809.db2.gz WKLBCPZLBOSFBA-GJZUVCINSA-N 1 0 469.029 3.850 20 0 JHADRO CCOC(=O)/C=C\c1cccnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164711527 720096513 /nfs/dbraw/zinc/09/65/13/720096513.db2.gz QKICGTHWJJHDIA-AXKWSIDASA-N 1 0 450.583 3.560 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C)nc(Cl)n1)CC2 ZINC001164717351 720111189 /nfs/dbraw/zinc/11/11/89/720111189.db2.gz NODIOHUPJGFQOT-GOSISDBHSA-N 1 0 451.949 3.886 20 0 JHADRO CCOC(=O)c1cnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)cc1OCC ZINC001164714066 720116402 /nfs/dbraw/zinc/11/64/02/720116402.db2.gz AAKNQWUZFZJOED-NRFANRHFSA-N 1 0 468.598 3.560 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(N)c1)CC2 ZINC001164710460 720136763 /nfs/dbraw/zinc/13/67/63/720136763.db2.gz BQCDSSSJRDZBAW-SFHVURJKSA-N 1 0 451.949 3.765 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3ccc(C(=O)OC)cc3cn1)CC2 ZINC001164711273 720139639 /nfs/dbraw/zinc/13/96/39/720139639.db2.gz GVDMMFOYRQWVGR-XMMPIXPASA-N 1 0 460.578 3.924 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)NCCSCc1ccco1)C2 ZINC001164807047 720140354 /nfs/dbraw/zinc/14/03/54/720140354.db2.gz AWJOJOJSYQZQLI-HFZDXXHNSA-N 1 0 484.666 3.523 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)CC2 ZINC001164714055 720141629 /nfs/dbraw/zinc/14/16/29/720141629.db2.gz VTXKDAJGLNHJMS-SFHVURJKSA-N 1 0 494.970 3.969 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)C2 ZINC001164819043 720149073 /nfs/dbraw/zinc/14/90/73/720149073.db2.gz VQOXPSVUJWWCFL-IIBYNOLFSA-N 1 0 452.933 3.893 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)c(OC)c3ccccc31)CC2 ZINC001164711112 720149813 /nfs/dbraw/zinc/14/98/13/720149813.db2.gz FJXSIRZLFJFVGD-OAQYLSRUSA-N 1 0 490.604 3.933 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164710825 720154579 /nfs/dbraw/zinc/15/45/79/720154579.db2.gz DIKHUTUZHXRXLW-QHCPKHFHSA-N 1 0 451.615 3.948 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164710824 720154823 /nfs/dbraw/zinc/15/48/23/720154823.db2.gz DIKHUTUZHXRXLW-HSZRJFAPSA-N 1 0 451.615 3.948 20 0 JHADRO Cn1nnc2c1CCN(c1ncnc3cc(OCc4ccccc4)ccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164720010 720204201 /nfs/dbraw/zinc/20/42/01/720204201.db2.gz VFDVPYMKMVGWIE-SANMLTNESA-N 1 0 499.619 3.554 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)C2 ZINC001164814138 720206847 /nfs/dbraw/zinc/20/68/47/720206847.db2.gz SYBLWLSXIXFZKJ-JTSKRJEESA-N 1 0 454.446 3.958 20 0 JHADRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718401 720207303 /nfs/dbraw/zinc/20/73/03/720207303.db2.gz LBUMOIRXHUPBNC-IBGZPJMESA-N 1 0 466.964 3.502 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(Cc3ccccc3)n1)CCC2 ZINC001164813489 720230814 /nfs/dbraw/zinc/23/08/14/720230814.db2.gz OXCWRLAMKBRRID-UHFFFAOYSA-N 1 0 452.990 3.528 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cncc(OCc3cccc(Cl)c3)n1)CCC2 ZINC001164817363 720243366 /nfs/dbraw/zinc/24/33/66/720243366.db2.gz QPJIHKZUXGMDLL-UHFFFAOYSA-N 1 0 468.989 3.516 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2c[nH]c3nc(Cl)ccc23)CC1 ZINC001164827116 720319056 /nfs/dbraw/zinc/31/90/56/720319056.db2.gz GWVHQMRVIDCKPR-ROUUACIJSA-N 1 0 451.949 3.673 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001164833410 720322118 /nfs/dbraw/zinc/32/21/18/720322118.db2.gz WVRCXLXBLGVTEJ-ZEQRLZLVSA-N 1 0 476.600 3.530 20 0 JHADRO CSc1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164830836 720334709 /nfs/dbraw/zinc/33/47/09/720334709.db2.gz QCJVJLSKSCIXIR-ZWKOTPCHSA-N 1 0 459.006 3.913 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC001164823476 720337930 /nfs/dbraw/zinc/33/79/30/720337930.db2.gz GIOOCKMUJXZYEK-RPWUZVMVSA-N 1 0 456.594 3.603 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC001164823474 720337961 /nfs/dbraw/zinc/33/79/61/720337961.db2.gz GIOOCKMUJXZYEK-BJKOFHAPSA-N 1 0 456.594 3.603 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2ccc(F)cc2)CC1 ZINC001164825889 720339971 /nfs/dbraw/zinc/33/99/71/720339971.db2.gz JVDZLMMAJLYGMW-VQTJNVASSA-N 1 0 473.980 3.973 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3nc(-c4cccs4)no3)ccn2)CC1 ZINC001164825247 720346574 /nfs/dbraw/zinc/34/65/74/720346574.db2.gz JCUHQMKTHUGYLD-VQTJNVASSA-N 1 0 478.622 3.772 20 0 JHADRO Clc1nc2c(c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n1)CN(Cc1ccccc1)CC2 ZINC001164722687 720346821 /nfs/dbraw/zinc/34/68/21/720346821.db2.gz GLFQFSWEEWBGPY-ZEQRLZLVSA-N 1 0 461.013 3.937 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(SCc3ccccc3)ncn2)CC1 ZINC001164824270 720346883 /nfs/dbraw/zinc/34/68/83/720346883.db2.gz HTQXHNYVJNWEFV-VXKWHMMOSA-N 1 0 451.640 3.680 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cncc(OCc3cccc(Cl)c3)n2)CC1 ZINC001164821387 720351442 /nfs/dbraw/zinc/35/14/42/720351442.db2.gz AFNWNPWZFKDQSV-FGZHOGPDSA-N 1 0 470.017 3.621 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)Oc2ccc(Cl)nc2Cl)CC1 ZINC001164822798 720351564 /nfs/dbraw/zinc/35/15/64/720351564.db2.gz FIXUAAJEZIPMEH-HUUCEWRRSA-N 1 0 463.356 3.725 20 0 JHADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164825865 720353839 /nfs/dbraw/zinc/35/38/39/720353839.db2.gz JTRNJOKXEPTIAE-NHCUHLMSSA-N 1 0 486.016 3.842 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)C2(c3ccc(Cl)nc3)CC2)CC1 ZINC001164830771 720354746 /nfs/dbraw/zinc/35/47/46/720354746.db2.gz WYAGLISJOAJJTJ-RBUKOAKNSA-N 1 0 452.977 3.767 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(Cl)(Cl)Oc2ccc(Cl)nc2)CC1 ZINC001164829666 720355246 /nfs/dbraw/zinc/35/52/46/720355246.db2.gz UAWPFJCOEMYFNI-SJORKVTESA-N 1 0 461.821 3.610 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)nc1 ZINC001164826893 720383704 /nfs/dbraw/zinc/38/37/04/720383704.db2.gz YDBFJNMBLZVTAY-QHCPKHFHSA-N 1 0 482.698 3.707 20 0 JHADRO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)O2)n1 ZINC001164827647 720412503 /nfs/dbraw/zinc/41/25/03/720412503.db2.gz GSYODPXXRPLVAI-SQNIBIBYSA-N 1 0 451.905 3.847 20 0 JHADRO O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164729921 720504596 /nfs/dbraw/zinc/50/45/96/720504596.db2.gz KPKZSBNBTHUXSM-OFNKIYASSA-N 1 0 489.954 3.676 20 0 JHADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164731796 720508723 /nfs/dbraw/zinc/50/87/23/720508723.db2.gz QRMICBGUWCWUFV-HXUWFJFHSA-N 1 0 458.566 3.612 20 0 JHADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1Cl ZINC001164835734 720523375 /nfs/dbraw/zinc/52/33/75/720523375.db2.gz KPLPFUKSQTVNGX-XYJFISCASA-N 1 0 467.948 3.641 20 0 JHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001164733010 720524754 /nfs/dbraw/zinc/52/47/54/720524754.db2.gz IFJYUVRXEDLEJN-LJQANCHMSA-N 1 0 479.698 3.951 20 0 JHADRO COc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c(Cl)nn2)c1 ZINC001164733552 720534619 /nfs/dbraw/zinc/53/46/19/720534619.db2.gz CUMUGHFANSZMPK-HNNXBMFYSA-N 1 0 462.932 3.745 20 0 JHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)C1 ZINC001164733173 720535755 /nfs/dbraw/zinc/53/57/55/720535755.db2.gz BUCQYJVSDKWUCB-AWEZNQCLSA-N 1 0 450.896 3.876 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3ncn4[C@@H]3CCCCO3)CC[C@@H]21 ZINC001164843047 720542037 /nfs/dbraw/zinc/54/20/37/720542037.db2.gz ZOVZBUZWBURSPX-FYQPLNBISA-N 1 0 485.036 3.753 20 0 JHADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834605 720546863 /nfs/dbraw/zinc/54/68/63/720546863.db2.gz FDTFNRIUDUYROH-DBXWQHBBSA-N 1 0 468.989 3.644 20 0 JHADRO Clc1nc2c(c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n1)CN(Cc1ccccc1)C2 ZINC001164732952 720557678 /nfs/dbraw/zinc/55/76/78/720557678.db2.gz GLEGVLALDGZUAG-UHFFFAOYSA-N 1 0 464.017 3.501 20 0 JHADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736749 720580432 /nfs/dbraw/zinc/58/04/32/720580432.db2.gz SNQJDPCRVZGHGN-UHFFFAOYSA-N 1 0 453.974 3.920 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3c4c(nnc3Cl)CCC4)CC[C@@H]21 ZINC001164843266 720610214 /nfs/dbraw/zinc/61/02/14/720610214.db2.gz XIIIKRKTTQGRAF-BXWFABGCSA-N 1 0 450.965 3.738 20 0 JHADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164839229 720631187 /nfs/dbraw/zinc/63/11/87/720631187.db2.gz MOESBVSYGLGVRB-YTFSRNRJSA-N 1 0 459.598 3.612 20 0 JHADRO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164739602 720658982 /nfs/dbraw/zinc/65/89/82/720658982.db2.gz OEXLFPFKAULCLE-QZTJIDSGSA-N 1 0 460.488 3.707 20 0 JHADRO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164738964 720663666 /nfs/dbraw/zinc/66/36/66/720663666.db2.gz LQRJLFGFLWYPFB-GOTSBHOMSA-N 1 0 450.546 3.943 20 0 JHADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743198 720670853 /nfs/dbraw/zinc/67/08/53/720670853.db2.gz WYBWLRAUUZVTMD-KBPBESRZSA-N 1 0 467.307 3.613 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164837618 720703510 /nfs/dbraw/zinc/70/35/10/720703510.db2.gz FGFOXYDWOKNUEF-JOCHJYFZSA-N 1 0 466.626 3.818 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)CC2 ZINC001164836923 720711339 /nfs/dbraw/zinc/71/13/39/720711339.db2.gz BXGFWXMNAUSWPP-HSZRJFAPSA-N 1 0 484.666 3.516 20 0 JHADRO CCOC(=O)c1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C(=O)OCC ZINC001164836893 720729463 /nfs/dbraw/zinc/72/94/63/720729463.db2.gz HSIBHDIZABNPRA-NRFANRHFSA-N 1 0 481.593 3.695 20 0 JHADRO CCCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836880 720729524 /nfs/dbraw/zinc/72/95/24/720729524.db2.gz HGJZXEJUFBVEGV-LJQANCHMSA-N 1 0 458.006 3.530 20 0 JHADRO Clc1ccc(-c2ccc(C3OCCCO3)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2)cn1 ZINC001164744651 720740830 /nfs/dbraw/zinc/74/08/30/720740830.db2.gz RWCUKYWDWUNWFV-LEWJYISDSA-N 1 0 493.995 3.969 20 0 JHADRO Clc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164745322 720803158 /nfs/dbraw/zinc/80/31/58/720803158.db2.gz JYKXKFLBUURKNX-DOTOQJQBSA-N 1 0 459.337 3.708 20 0 JHADRO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744943 720814087 /nfs/dbraw/zinc/81/40/87/720814087.db2.gz JXSYEPQALSPZEP-IIDMSEBBSA-N 1 0 457.356 3.904 20 0 JHADRO Fc1cc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2cc1F ZINC001164742069 720823777 /nfs/dbraw/zinc/82/37/77/720823777.db2.gz PLJCMUUQXFIMER-STXHMFSFSA-N 1 0 459.932 3.532 20 0 JHADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746874 720824884 /nfs/dbraw/zinc/82/48/84/720824884.db2.gz ZJJOFCDYLKNBNR-DJPFJPOOSA-N 1 0 473.959 3.799 20 0 JHADRO c1ncn(C[C@H]2C[C@H]3CN(c4nccc(-c5c[nH]c6ccccc56)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738380 720826826 /nfs/dbraw/zinc/82/68/26/720826826.db2.gz FDKNJAAAPOTFAB-WZOHSFFVSA-N 1 0 454.582 3.596 20 0 JHADRO Clc1cc2c(Cl)ccnc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739832 720826921 /nfs/dbraw/zinc/82/69/21/720826921.db2.gz IZIZALWLZLUTAC-JTDSTZFVSA-N 1 0 458.397 3.908 20 0 JHADRO Clc1ccc2[nH]c3ncnc(N4CC[C@@H]5[C@@H](C[C@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c3c2c1 ZINC001164739459 720843703 /nfs/dbraw/zinc/84/37/03/720843703.db2.gz AHQCRKRFRSYVLN-YRISNDGFSA-N 1 0 462.989 3.735 20 0 JHADRO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2C)cc1 ZINC001164745188 720844398 /nfs/dbraw/zinc/84/43/98/720844398.db2.gz MMRMAADHFSDBNX-KYPHJKQUSA-N 1 0 486.620 3.815 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)CC[C@H]2C1 ZINC001164851811 720848111 /nfs/dbraw/zinc/84/81/11/720848111.db2.gz HZNHKKYHGASQFB-GUYCJALGSA-N 1 0 461.340 3.655 20 0 JHADRO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2C)cc1 ZINC001164745445 720856241 /nfs/dbraw/zinc/85/62/41/720856241.db2.gz DLSQLFUWVUUXRW-ONBPZOJHSA-N 1 0 487.652 3.664 20 0 JHADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164753884 720859380 /nfs/dbraw/zinc/85/93/80/720859380.db2.gz ZAWDRSXNRMKPCS-BFYDXBDKSA-N 1 0 473.355 3.784 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4F)nc4ccc(C)cc43)CC[C@H]2C1 ZINC001164855489 720861616 /nfs/dbraw/zinc/86/16/16/720861616.db2.gz MYQAOMJVVVHZPB-YADARESESA-N 1 0 450.558 3.918 20 0 JHADRO Clc1nc2[nH]ccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752318 720868946 /nfs/dbraw/zinc/86/89/46/720868946.db2.gz MLGZBUHTRROGTB-NTKDMRAZSA-N 1 0 452.990 3.761 20 0 JHADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749172 720872517 /nfs/dbraw/zinc/87/25/17/720872517.db2.gz HMVMSLYEZIUQOC-JCCACQIHSA-N 1 0 476.621 3.808 20 0 JHADRO Clc1nnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2cnccc12 ZINC001164747124 720876530 /nfs/dbraw/zinc/87/65/30/720876530.db2.gz AAILPDNECCDUTE-NLFFAJNJSA-N 1 0 465.001 3.828 20 0 JHADRO COc1cc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1OC ZINC001164752282 720877644 /nfs/dbraw/zinc/87/76/44/720877644.db2.gz MLBSWWHYLHLEGJ-DWACAAAGSA-N 1 0 489.620 3.797 20 0 JHADRO COc1cccc2c1ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747926 720878692 /nfs/dbraw/zinc/87/86/92/720878692.db2.gz CIMNZLBGXOIVQO-WXVAWEFUSA-N 1 0 459.594 3.789 20 0 JHADRO Clc1nc2cnccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164756226 720882526 /nfs/dbraw/zinc/88/25/26/720882526.db2.gz OLZNCRQNICZLNH-NLFFAJNJSA-N 1 0 465.001 3.828 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)CC[C@H]2C1 ZINC001164856719 720883620 /nfs/dbraw/zinc/88/36/20/720883620.db2.gz JBMGBKFCISVNMQ-CVDCTZTESA-N 1 0 457.018 3.849 20 0 JHADRO Clc1nc2cccnc2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758490 720889286 /nfs/dbraw/zinc/88/92/86/720889286.db2.gz YMLJZAWKAJQPEZ-NLFFAJNJSA-N 1 0 465.001 3.828 20 0 JHADRO Clc1nnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ncccc12 ZINC001164757182 720890474 /nfs/dbraw/zinc/89/04/74/720890474.db2.gz UDDRKIHUSFIECC-NLFFAJNJSA-N 1 0 465.001 3.828 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)CC[C@@H]2C1 ZINC001164856795 720892244 /nfs/dbraw/zinc/89/22/44/720892244.db2.gz GRKOIZOYGWXSFU-NQIIRXRSSA-N 1 0 466.960 3.824 20 0 JHADRO COc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164750497 720892444 /nfs/dbraw/zinc/89/24/44/720892444.db2.gz BICJBGLVZUOINE-WNCULLNHSA-N 1 0 459.594 3.789 20 0 JHADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755680 720895318 /nfs/dbraw/zinc/89/53/18/720895318.db2.gz MNMSVWSAOBGJKT-AMGIVPHBSA-N 1 0 479.625 3.582 20 0 JHADRO CSc1nc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2s1 ZINC001164755345 720898510 /nfs/dbraw/zinc/89/85/10/720898510.db2.gz LDASVZIBLCPGQO-NTKDMRAZSA-N 1 0 482.679 3.958 20 0 JHADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749753 720900289 /nfs/dbraw/zinc/90/02/89/720900289.db2.gz APFVSARPJSYHBY-YGAGRWJCSA-N 1 0 476.621 3.726 20 0 JHADRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2ccncc2)n1 ZINC001164754651 720908346 /nfs/dbraw/zinc/90/83/46/720908346.db2.gz WTMVINKZTQNHOP-LBNVMWSVSA-N 1 0 470.621 3.997 20 0 JHADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2ccccn2)n1 ZINC001164754600 720908542 /nfs/dbraw/zinc/90/85/42/720908542.db2.gz WCIADTJMNXNBRK-YWEHKCAJSA-N 1 0 470.621 3.997 20 0 JHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccnc(N4CCCCC4)n2)C3)c1 ZINC001164750170 720908620 /nfs/dbraw/zinc/90/86/20/720908620.db2.gz JNWWOEZAHQEMIU-IGKIAQTJSA-N 1 0 462.642 3.617 20 0 JHADRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2ccccn2)n1 ZINC001164754598 720908660 /nfs/dbraw/zinc/90/86/60/720908660.db2.gz WCIADTJMNXNBRK-RBJSKKJNSA-N 1 0 470.621 3.997 20 0 JHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cc(N4CCCCC4)ncn2)C3)c1 ZINC001164755083 720910962 /nfs/dbraw/zinc/91/09/62/720910962.db2.gz YDLAWCOEBQTUEP-SQHAQQRYSA-N 1 0 462.642 3.617 20 0 JHADRO Cc1noc(-c2cccnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753161 720912073 /nfs/dbraw/zinc/91/20/73/720912073.db2.gz QQFGGLRFGRSHEK-GJZUVCINSA-N 1 0 460.582 3.590 20 0 JHADRO Cc1noc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2)n1 ZINC001164752764 720913714 /nfs/dbraw/zinc/91/37/14/720913714.db2.gz OQZAGLQRQITOLG-ZEQKJWHPSA-N 1 0 460.582 3.590 20 0 JHADRO CC(C)OC(=O)c1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748997 720931093 /nfs/dbraw/zinc/93/10/93/720931093.db2.gz HETDFHUGEWGEEA-YIXXDRMTSA-N 1 0 464.610 3.797 20 0 JHADRO COC(=O)c1cc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164754256 720933391 /nfs/dbraw/zinc/93/33/91/720933391.db2.gz VOTAKLQYQJCWGJ-QFQXNSOFSA-N 1 0 485.028 3.980 20 0 JHADRO COC(=O)c1cc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164754255 720933645 /nfs/dbraw/zinc/93/36/45/720933645.db2.gz VOTAKLQYQJCWGJ-LVXARBLLSA-N 1 0 485.028 3.980 20 0 JHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)[C@@H]2C ZINC001164862688 720957674 /nfs/dbraw/zinc/95/76/74/720957674.db2.gz XASOJAZNZQQFRH-NVXWUHKLSA-N 1 0 458.998 3.797 20 0 JHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)[C@H]2C ZINC001164862687 720958367 /nfs/dbraw/zinc/95/83/67/720958367.db2.gz XASOJAZNZQQFRH-DOTOQJQBSA-N 1 0 458.998 3.797 20 0 JHADRO CC(C)CN1[C@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164759014 720972163 /nfs/dbraw/zinc/97/21/63/720972163.db2.gz YLCUGPCFELLGQV-GOTSBHOMSA-N 1 0 484.666 3.754 20 0 JHADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164856237 721004145 /nfs/dbraw/zinc/00/41/45/721004145.db2.gz ADBMHQQRLYYJLB-SFHVURJKSA-N 1 0 483.686 3.758 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164765170 721120834 /nfs/dbraw/zinc/12/08/34/721120834.db2.gz JCGMWBNOHSOCSP-RPWUZVMVSA-N 1 0 451.578 3.897 20 0 JHADRO COC(=O)c1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2C)cc1 ZINC001164870229 721134977 /nfs/dbraw/zinc/13/49/77/721134977.db2.gz BXVKJYFWANHTQX-ZEQRLZLVSA-N 1 0 458.562 3.718 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870347 721158351 /nfs/dbraw/zinc/15/83/51/721158351.db2.gz CPENBZYPODXJNS-ROUUACIJSA-N 1 0 472.927 3.612 20 0 JHADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164869744 721184227 /nfs/dbraw/zinc/18/42/27/721184227.db2.gz ANEYLNZEXZUQRD-QUCCMNQESA-N 1 0 455.921 3.936 20 0 JHADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870889 721188180 /nfs/dbraw/zinc/18/81/80/721188180.db2.gz XFMGDTMBFPZYAH-RBUKOAKNSA-N 1 0 467.957 3.806 20 0 JHADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870887 721188430 /nfs/dbraw/zinc/18/84/30/721188430.db2.gz XFMGDTMBFPZYAH-OALUTQOASA-N 1 0 467.957 3.806 20 0 JHADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870891 721188689 /nfs/dbraw/zinc/18/86/89/721188689.db2.gz XFMGDTMBFPZYAH-RTBURBONSA-N 1 0 467.957 3.806 20 0 JHADRO COc1cccc(-c2nc3ccccc3c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)c1 ZINC001164771500 721218885 /nfs/dbraw/zinc/21/88/85/721218885.db2.gz QPWHSFCZZWWMBL-VXKWHMMOSA-N 1 0 454.578 3.997 20 0 JHADRO Cc1ccc(-c2nnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c3ccccc32)cc1C ZINC001164875975 721285766 /nfs/dbraw/zinc/28/57/66/721285766.db2.gz ZVFVEAHRSDYRFL-UHFFFAOYSA-N 1 0 487.648 3.921 20 0 JHADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC2)C1 ZINC001164877141 721294020 /nfs/dbraw/zinc/29/40/20/721294020.db2.gz LELKVRZRICGRTQ-UHFFFAOYSA-N 1 0 482.959 3.547 20 0 JHADRO CCOC(=O)c1sc2ncnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2c1C ZINC001164778093 721331992 /nfs/dbraw/zinc/33/19/92/721331992.db2.gz UIWMMDGNPUQVOW-RUZDIDTESA-N 1 0 499.637 3.900 20 0 JHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)cc3-c3ccncc3)C2)C1 ZINC001164778828 721338691 /nfs/dbraw/zinc/33/86/91/721338691.db2.gz YSASZCGSBPPFLR-XMMPIXPASA-N 1 0 468.989 3.916 20 0 JHADRO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001164882519 721348881 /nfs/dbraw/zinc/34/88/81/721348881.db2.gz FSQVXIVGDUHODL-AHKZPQOWSA-N 1 0 468.601 3.617 20 0 JHADRO O=C(c1ccccc1)N1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]2C1 ZINC001164882342 721353199 /nfs/dbraw/zinc/35/31/99/721353199.db2.gz DPXYRJMDRJEZEC-UGKGYDQZSA-N 1 0 488.966 3.634 20 0 JHADRO O=C(c1ccccc1)N1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]2C1 ZINC001164882340 721353254 /nfs/dbraw/zinc/35/32/54/721353254.db2.gz DPXYRJMDRJEZEC-KNQAVFIVSA-N 1 0 488.966 3.634 20 0 JHADRO COC(=O)C[C@H](c1ccnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1)C1CC1 ZINC001164781301 721364691 /nfs/dbraw/zinc/36/46/91/721364691.db2.gz ISAXMUCNQBKOJD-HOFKKMOUSA-N 1 0 482.625 3.862 20 0 JHADRO COC(=O)c1nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c2ccccc2c1OC ZINC001164787096 721371044 /nfs/dbraw/zinc/37/10/44/721371044.db2.gz YZIJLYGNPWUPRL-MHZLTWQESA-N 1 0 494.592 3.754 20 0 JHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C4CCC4)nc4[nH]ccc43)C2)C1 ZINC001164786941 721377036 /nfs/dbraw/zinc/37/70/36/721377036.db2.gz VKJKPVFFWHGDOI-VWLOTQADSA-N 1 0 450.587 3.949 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5cc(Cl)c(Cl)cc54)C3)O2)CC1 ZINC001164889521 721425474 /nfs/dbraw/zinc/42/54/74/721425474.db2.gz BFXMYSFUGIAAQT-ZHRRBRCNSA-N 1 0 450.414 3.702 20 0 JHADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164893024 721433107 /nfs/dbraw/zinc/43/31/07/721433107.db2.gz ISTNTFFRSXBEQS-NIYFSFCBSA-N 1 0 487.044 3.830 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN([C@@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C3)O2)CC1 ZINC001164895397 721441561 /nfs/dbraw/zinc/44/15/61/721441561.db2.gz OJCCKFRLHBNXMI-GPUOULLFSA-N 1 0 490.023 3.690 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(SCc5ccccc5)ncn4)C3)O2)CC1 ZINC001164895799 721442732 /nfs/dbraw/zinc/44/27/32/721442732.db2.gz POAOXTYAGYRBSA-WIOPSUGQSA-N 1 0 453.656 3.534 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccncc5)nc5sccc54)C3)O2)CC1 ZINC001164897571 721444988 /nfs/dbraw/zinc/44/49/88/721444988.db2.gz UFEJGGXPJGLRFH-CPJSRVTESA-N 1 0 464.639 3.519 20 0 JHADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164887838 721448419 /nfs/dbraw/zinc/44/84/19/721448419.db2.gz KMSRMPXVEQKYMK-CPJSRVTESA-N 1 0 472.033 3.996 20 0 JHADRO CCOC(=O)c1cc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ncc1Cl ZINC001164785111 721451888 /nfs/dbraw/zinc/45/18/88/721451888.db2.gz GNQAATKLTNLDBJ-IBGZPJMESA-N 1 0 466.022 3.646 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164786458 721457356 /nfs/dbraw/zinc/45/73/56/721457356.db2.gz MPTJAZJAAUDBRZ-OAQYLSRUSA-N 1 0 472.033 3.926 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(SC)nc3c1CCCC3)CC2 ZINC001164784301 721459004 /nfs/dbraw/zinc/45/90/04/721459004.db2.gz HGPXAHIEIYJEKF-HXUWFJFHSA-N 1 0 460.688 3.811 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164789387 721459283 /nfs/dbraw/zinc/45/92/83/721459283.db2.gz XPINBIKWWMHIHE-JOCHJYFZSA-N 1 0 459.631 3.771 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OCc3ccccc3)cnn1)CC2 ZINC001164789344 721461815 /nfs/dbraw/zinc/46/18/15/721461815.db2.gz XCRYIYLMANSUDJ-XMMPIXPASA-N 1 0 466.626 3.790 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cc(OC)c(OC)cc3n1)CC2 ZINC001164783685 721462401 /nfs/dbraw/zinc/46/24/01/721462401.db2.gz FIIAJPPBBSLRTM-JOCHJYFZSA-N 1 0 469.626 3.986 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3OC)nn1)CC2 ZINC001164790003 721467459 /nfs/dbraw/zinc/46/74/59/721467459.db2.gz PWIDMZQDJNMFBQ-JOCHJYFZSA-N 1 0 466.626 3.886 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2c(Cl)nc(Cl)c(Cl)c2Cl)CC3)CC1 ZINC001164794746 721511450 /nfs/dbraw/zinc/51/14/50/721511450.db2.gz VFJXKIMVBGINHN-UHFFFAOYSA-N 1 0 450.201 3.659 20 0 JHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CC[N@@H+]3C2)c1 ZINC001164896942 721517805 /nfs/dbraw/zinc/51/78/05/721517805.db2.gz CSKSYQBPKKCFRN-ISKFKSNPSA-N 1 0 459.569 3.516 20 0 JHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164899730 721519134 /nfs/dbraw/zinc/51/91/34/721519134.db2.gz LYTWYZPWFVVGNU-AEFFLSMTSA-N 1 0 467.923 3.756 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903016 721527516 /nfs/dbraw/zinc/52/75/16/721527516.db2.gz BURZBVURTIQYML-PKOBYXMFSA-N 1 0 468.554 3.863 20 0 JHADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164909793 721542600 /nfs/dbraw/zinc/54/26/00/721542600.db2.gz RWRJUAXTQXXUID-LPHOPBHVSA-N 1 0 459.884 3.937 20 0 JHADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164905790 721550224 /nfs/dbraw/zinc/55/02/24/721550224.db2.gz IFJGMTMYQJBBFQ-NVXWUHKLSA-N 1 0 455.864 3.548 20 0 JHADRO CC(C)(C)OC(=O)Nc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c2[nH]cnc21 ZINC001164905381 721551268 /nfs/dbraw/zinc/55/12/68/721551268.db2.gz HBQNEHCLWYHRRJ-SJLPKXTDSA-N 1 0 468.533 3.786 20 0 JHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2cccc(F)c2)[C@@H]2CCCO[C@@H]12 ZINC001164800450 721559095 /nfs/dbraw/zinc/55/90/95/721559095.db2.gz FNDHLOVNGCQRKH-UBFVSLLYSA-N 1 0 472.568 3.882 20 0 JHADRO COc1ccc(OC)c(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c1 ZINC001164909283 721559345 /nfs/dbraw/zinc/55/93/45/721559345.db2.gz UDLZNICQSVRDSB-NQIIRXRSSA-N 1 0 450.514 3.642 20 0 JHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164809436 721559861 /nfs/dbraw/zinc/55/98/61/721559861.db2.gz XHSVAOBRRYXCJU-SDHSZQHLSA-N 1 0 454.578 3.743 20 0 JHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2ccc(F)cc2)[C@H]2CCCO[C@H]12 ZINC001164810572 721559948 /nfs/dbraw/zinc/55/99/48/721559948.db2.gz YYSGOBOWOVFOQK-GVAUOCQISA-N 1 0 472.568 3.882 20 0 JHADRO COC(=O)c1ccc2c(c1)ncnc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907035 721586946 /nfs/dbraw/zinc/58/69/46/721586946.db2.gz QKOUHQILQJRCRK-QHCPKHFHSA-N 1 0 453.493 3.549 20 0 JHADRO CCOC(=O)c1cc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2[nH]1 ZINC001164906210 721698959 /nfs/dbraw/zinc/69/89/59/721698959.db2.gz MCGUMUSWTURUFV-HSZRJFAPSA-N 1 0 455.509 3.872 20 0 JHADRO COc1cc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c(OC)c1 ZINC001164906223 721709743 /nfs/dbraw/zinc/70/97/43/721709743.db2.gz LCYWNTMPAXYCES-QHCPKHFHSA-N 1 0 455.509 3.780 20 0 JHADRO FC1(F)CCN(c2ncnc3c2ncn3-c2ccccc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164910506 721732691 /nfs/dbraw/zinc/73/26/91/721732691.db2.gz FODFIEXWUBBOQL-DEOSSOPVSA-N 1 0 461.520 3.948 20 0 JHADRO Cc1sc2nc(CN3CCCC3)nc(N(Cc3ncn4c3C[NH2+]CCC4)c3ncccn3)c2c1C ZINC001165014072 721766957 /nfs/dbraw/zinc/76/69/57/721766957.db2.gz CITLRMSIEIJXEW-UHFFFAOYSA-N 1 0 489.653 3.722 20 0 JHADRO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165027279 721801195 /nfs/dbraw/zinc/80/11/95/721801195.db2.gz VIMYZIGJRIOGBP-ZYSHUDEJSA-N 1 0 479.959 3.984 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(CO)ccc3NC(=O)C(C)(C)C)C[C@@H]21 ZINC001165020696 721819536 /nfs/dbraw/zinc/81/95/36/721819536.db2.gz CNSZYAQSPXNFDF-RZFNWQHOSA-N 1 0 451.615 3.690 20 0 JHADRO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C(=O)OCC ZINC001165027833 721832283 /nfs/dbraw/zinc/83/22/83/721832283.db2.gz UDKOUWYKGLIKGA-YUXAGFNASA-N 1 0 466.582 3.567 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)nc1 ZINC001164928140 721833971 /nfs/dbraw/zinc/83/39/71/721833971.db2.gz WQAQHJDIONWSRV-AZGAKELHSA-N 1 0 485.698 3.891 20 0 JHADRO COc1cc2ncnc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c2c(OC)c1 ZINC001165022039 721841573 /nfs/dbraw/zinc/84/15/73/721841573.db2.gz NTBOKJIODKRLJQ-UHFFFAOYSA-N 1 0 452.555 3.765 20 0 JHADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2[C@@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164925358 721868818 /nfs/dbraw/zinc/86/88/18/721868818.db2.gz OALSNEXIFNRBGV-REHUZNOOSA-N 1 0 493.458 3.632 20 0 JHADRO O=C(C[C@@H]1OC[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC[C@H]12)NC1CCC1 ZINC001164933718 721895646 /nfs/dbraw/zinc/89/56/46/721895646.db2.gz NEOQFDLYEJDMLX-GVUKDKGQSA-N 1 0 460.622 3.540 20 0 JHADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c12 ZINC001164938621 721930244 /nfs/dbraw/zinc/93/02/44/721930244.db2.gz BDGFHXOUTMOGAD-UHFFFAOYSA-N 1 0 469.973 3.578 20 0 JHADRO Cc1cc2c(ncnc2N2CCCC[C@@H]2CC[NH+]2CCCC2)n1S(=O)(=O)c1ccccc1 ZINC001165047557 721967450 /nfs/dbraw/zinc/96/74/50/721967450.db2.gz KPUKBBJFAZYHIG-HXUWFJFHSA-N 1 0 453.612 3.822 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cscn3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164950850 722001781 /nfs/dbraw/zinc/00/17/81/722001781.db2.gz KLWMYXUGJJLCHK-SQMWVJLWSA-N 1 0 455.628 3.641 20 0 JHADRO COC(=O)c1ccc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1Cl ZINC001164952205 722015468 /nfs/dbraw/zinc/01/54/68/722015468.db2.gz JJZMHZLSUFSDAQ-UHFFFAOYSA-N 1 0 450.917 3.954 20 0 JHADRO Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164959907 722028518 /nfs/dbraw/zinc/02/85/18/722028518.db2.gz JJQARQXYJJXHGE-MZKUHISZSA-N 1 0 460.553 3.989 20 0 JHADRO COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1Cl ZINC001164958870 722054115 /nfs/dbraw/zinc/05/41/15/722054115.db2.gz HFXHJBFQNGYXOP-UHFFFAOYSA-N 1 0 480.943 3.581 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963822 722054935 /nfs/dbraw/zinc/05/49/35/722054935.db2.gz MLJFXEHQSVXMIT-UHFFFAOYSA-N 1 0 493.633 3.896 20 0 JHADRO COc1ccc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)n1 ZINC001164963840 722055964 /nfs/dbraw/zinc/05/59/64/722055964.db2.gz NJXCTRUYAFMMAZ-UHFFFAOYSA-N 1 0 452.933 3.803 20 0 JHADRO COc1ccc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1Cl ZINC001164962541 722057454 /nfs/dbraw/zinc/05/74/54/722057454.db2.gz FKEHUYAGTDZPGO-UHFFFAOYSA-N 1 0 452.933 3.803 20 0 JHADRO c1ccc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c(N3CCCC3)nc2c1 ZINC001164961519 722059172 /nfs/dbraw/zinc/05/91/72/722059172.db2.gz LDKZBDHHOOWSTI-UHFFFAOYSA-N 1 0 458.610 3.744 20 0 JHADRO Cc1nc2c(cc(-c3nc(N4C[C@@H]5C[N@@H+](CC6CC6)C[C@H](C4)O5)ncc3F)cc2F)n1C(C)C ZINC001164967585 722072130 /nfs/dbraw/zinc/07/21/30/722072130.db2.gz QVGRILLYOVGZFQ-KDURUIRLSA-N 1 0 468.552 3.960 20 0 JHADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982768 722105031 /nfs/dbraw/zinc/10/50/31/722105031.db2.gz OVOVISCJTPIRQO-UWJYYQICSA-N 1 0 459.928 3.950 20 0 JHADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976407 722106235 /nfs/dbraw/zinc/10/62/35/722106235.db2.gz CUWHXCJXECEILL-LAUBAEHRSA-N 1 0 459.928 3.950 20 0 JHADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981742 722110715 /nfs/dbraw/zinc/11/07/15/722110715.db2.gz VDCMWIVYCSKZLB-DYESRHJHSA-N 1 0 459.928 3.950 20 0 JHADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164979845 722124091 /nfs/dbraw/zinc/12/40/91/722124091.db2.gz QMEACMGEJUHGJZ-DHLKQENFSA-N 1 0 472.568 3.741 20 0 JHADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164979851 722124197 /nfs/dbraw/zinc/12/41/97/722124197.db2.gz QMEACMGEJUHGJZ-WIOPSUGQSA-N 1 0 472.568 3.741 20 0 JHADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981499 722137623 /nfs/dbraw/zinc/13/76/23/722137623.db2.gz OZSNRPSZGHSSSJ-UGKGYDQZSA-N 1 0 481.984 3.582 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983338 722138260 /nfs/dbraw/zinc/13/82/60/722138260.db2.gz UGTQMLJOAMAVCW-WOJBJXKFSA-N 1 0 486.954 3.859 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc(Cl)c2c1 ZINC001164978860 722145485 /nfs/dbraw/zinc/14/54/85/722145485.db2.gz JZQTXXQPIDDRBM-UTKZUKDTSA-N 1 0 489.954 3.959 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2c([C@H]3COCCN3)nccc2=NCc2ccco2)nc1 ZINC001164986314 722173214 /nfs/dbraw/zinc/17/32/14/722173214.db2.gz JRBFTEPIEWEVLA-PKTZIBPZSA-N 1 0 462.598 3.559 20 0 JHADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c12 ZINC001165004977 722256207 /nfs/dbraw/zinc/25/62/07/722256207.db2.gz YUWUGRDZDGXSFT-UHFFFAOYSA-N 1 0 473.625 3.781 20 0 JHADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1C ZINC001165004986 722256439 /nfs/dbraw/zinc/25/64/39/722256439.db2.gz ZDFCKWZWTWNKBG-UHFFFAOYSA-N 1 0 497.713 3.979 20 0 JHADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165003840 722257950 /nfs/dbraw/zinc/25/79/50/722257950.db2.gz JBLJWMXSLWFJQR-UHFFFAOYSA-N 1 0 456.978 3.916 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001306624551 1069317807 /nfs/dbraw/zinc/31/78/07/1069317807.db2.gz ZJJLLSDJQCMNCF-RTBURBONSA-N 1 0 466.001 3.590 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(F)c(F)c2)CC[N@@H+]1CCOC ZINC001306626433 1069321760 /nfs/dbraw/zinc/32/17/60/1069321760.db2.gz YHKAGQAQSZRKEI-NHCUHLMSSA-N 1 0 477.600 3.630 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCCO2)CC[N@@H+]1CCOC ZINC001306626728 1069322479 /nfs/dbraw/zinc/32/24/79/1069322479.db2.gz KKZHYICNVBWFRF-VXKWHMMOSA-N 1 0 459.610 3.514 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC)n2Cc2ccc(-c3ccsc3)nc2)CC[N@@H+]1CCOC ZINC001306627878 1069324786 /nfs/dbraw/zinc/32/47/86/1069324786.db2.gz VZFYVZZKRILIKN-NRFANRHFSA-N 1 0 454.644 3.949 20 0 JHADRO CCS(=O)(=O)c1ccc2oc(NC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)nc2c1 ZINC001311329054 1069326699 /nfs/dbraw/zinc/32/66/99/1069326699.db2.gz QBULCYSDGWPEJO-WMZOPIPTSA-N 1 0 456.568 3.511 20 0 JHADRO CCS(=O)(=O)c1ccc2oc(NC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)nc2c1 ZINC001311329051 1069326744 /nfs/dbraw/zinc/32/67/44/1069326744.db2.gz QBULCYSDGWPEJO-SJLPKXTDSA-N 1 0 456.568 3.511 20 0 JHADRO C[NH+](C)C1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)CCCCC1 ZINC001311343991 1069331141 /nfs/dbraw/zinc/33/11/41/1069331141.db2.gz GVSHLJYFAIORGH-HOTGVXAUSA-N 1 0 450.546 3.738 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001306631898 1069332153 /nfs/dbraw/zinc/33/21/53/1069332153.db2.gz VXBBEJKFWJUYRT-MSOLQXFVSA-N 1 0 488.683 3.639 20 0 JHADRO C[NH+]1CCC(NC(=O)N(CCOc2cccc(Br)c2)C[C@@H]2CCCS2)CC1 ZINC001311346574 1069333384 /nfs/dbraw/zinc/33/33/84/1069333384.db2.gz AKJKRKAQCZVXNJ-IBGZPJMESA-N 1 0 456.450 3.829 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)[NH+](C)C)cc1OC ZINC001311349028 1069334848 /nfs/dbraw/zinc/33/48/48/1069334848.db2.gz LGGYJFFGMLTXEU-HRAATJIYSA-N 1 0 455.534 3.692 20 0 JHADRO COc1ccc([C@H](CNC(=O)N2CCC[C@H](c3cncn3C(C)(C)C)C2)[NH+](C)C)cc1OC ZINC001311350686 1069336753 /nfs/dbraw/zinc/33/67/53/1069336753.db2.gz XIKUAQUQNROOTL-PMACEKPBSA-N 1 0 457.619 3.847 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@@H+]2CC)CCO1 ZINC001306633933 1069338662 /nfs/dbraw/zinc/33/86/62/1069338662.db2.gz DDJBKLIJNUQJQF-PLACYPQZSA-N 1 0 476.666 3.538 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001306634412 1069339752 /nfs/dbraw/zinc/33/97/52/1069339752.db2.gz IGVJOKDWESCLPA-WBADGQHESA-N 1 0 477.694 3.703 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc(-c3ccccc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001306635288 1069341867 /nfs/dbraw/zinc/34/18/67/1069341867.db2.gz UGQVDPXGUTUVMM-UHFFFAOYSA-N 1 0 495.716 3.636 20 0 JHADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC001311363214 1069346225 /nfs/dbraw/zinc/34/62/25/1069346225.db2.gz QMHVWCSJJJIKQQ-SGLNWRHMSA-N 1 0 453.002 3.509 20 0 JHADRO C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C(=O)NCCc1ccccc1 ZINC001311359239 1069343369 /nfs/dbraw/zinc/34/33/69/1069343369.db2.gz JODKPEFUVUDPIL-FDFHNCONSA-N 1 0 450.627 3.711 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCc2ccsc2Br)CC1 ZINC001311359244 1069343624 /nfs/dbraw/zinc/34/36/24/1069343624.db2.gz WKIQWQIJYSRCSI-UHFFFAOYSA-N 1 0 451.434 3.648 20 0 JHADRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC001311361723 1069345109 /nfs/dbraw/zinc/34/51/09/1069345109.db2.gz WEQGOHVYLWNRMF-DBXWQHBBSA-N 1 0 455.018 3.613 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[C@H]1C(F)(F)F ZINC001311367985 1069347041 /nfs/dbraw/zinc/34/70/41/1069347041.db2.gz JXCYGXFAUDQLLC-HUUCEWRRSA-N 1 0 450.546 3.783 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NC[C@@](C)(O)c3ccccc3Cl)CC2)c1 ZINC001311380692 1069353812 /nfs/dbraw/zinc/35/38/12/1069353812.db2.gz NEHWUJFFEOXHHO-RUZDIDTESA-N 1 0 459.034 3.758 20 0 JHADRO COC(=O)Nc1cccc(CNC(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC001311382592 1069355261 /nfs/dbraw/zinc/35/52/61/1069355261.db2.gz ZAPLELWSFXPGBS-UHFFFAOYSA-N 1 0 453.587 3.575 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)CC2)c1 ZINC001311381988 1069355354 /nfs/dbraw/zinc/35/53/54/1069355354.db2.gz UZHLDBRUSBQUNX-XFSFLGPDSA-N 1 0 456.656 3.647 20 0 JHADRO CCCC(=O)Nc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC001311378240 1069351692 /nfs/dbraw/zinc/35/16/92/1069351692.db2.gz ZBKLZOMFRYIFTR-BJKOFHAPSA-N 1 0 457.663 3.904 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1)Cc1ccccc1 ZINC001311396158 1069360975 /nfs/dbraw/zinc/36/09/75/1069360975.db2.gz ZXHMHTNWMMWAIR-VWLOTQADSA-N 1 0 450.627 3.852 20 0 JHADRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC[C@H](c3ccccc3Cl)N3CCOCC3)C2)cc1 ZINC001311388519 1069356954 /nfs/dbraw/zinc/35/69/54/1069356954.db2.gz DNMBYFNUXGPPFS-XUZZJYLKSA-N 1 0 457.018 3.595 20 0 JHADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC001311390697 1069357975 /nfs/dbraw/zinc/35/79/75/1069357975.db2.gz QBOMLDVZOJJHLF-QHCPKHFHSA-N 1 0 459.034 3.923 20 0 JHADRO Cc1cccc([C@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)N2CCOCC2)c1 ZINC001311391578 1069358527 /nfs/dbraw/zinc/35/85/27/1069358527.db2.gz OMPVHFMNJJFGBU-GJZUVCINSA-N 1 0 450.627 3.893 20 0 JHADRO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001311395415 1069360290 /nfs/dbraw/zinc/36/02/90/1069360290.db2.gz KAUCNDZBGWOPCR-NMMYMHLASA-N 1 0 453.631 3.894 20 0 JHADRO CC(C)[C@@H](CNC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC001311398579 1069361668 /nfs/dbraw/zinc/36/16/68/1069361668.db2.gz ZKFJFOJDDKYKCS-AQNXPRMDSA-N 1 0 454.656 3.803 20 0 JHADRO C[N@H+](CCCNC(=O)NCCCN1CCN(c2ccccc2Cl)CC1)C1CCCCC1 ZINC001311400066 1069362161 /nfs/dbraw/zinc/36/21/61/1069362161.db2.gz KJZJRALLPHTEMN-UHFFFAOYSA-N 1 0 450.071 3.806 20 0 JHADRO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001311400546 1069362273 /nfs/dbraw/zinc/36/22/73/1069362273.db2.gz RXTWXTVWCITBKW-ROKPMTFOSA-N 1 0 453.631 3.752 20 0 JHADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N(CCO)Cc1cc(Br)cs1 ZINC001311405996 1069364379 /nfs/dbraw/zinc/36/43/79/1069364379.db2.gz QDNFBIVCSZKVRG-IBGZPJMESA-N 1 0 452.418 3.852 20 0 JHADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N(CCO)Cc1cc(Br)cs1 ZINC001311405997 1069364785 /nfs/dbraw/zinc/36/47/85/1069364785.db2.gz QDNFBIVCSZKVRG-LJQANCHMSA-N 1 0 452.418 3.852 20 0 JHADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC001311406902 1069364989 /nfs/dbraw/zinc/36/49/89/1069364989.db2.gz XITYJPKQTIPYPB-PMACEKPBSA-N 1 0 452.521 3.685 20 0 JHADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C)CN1CCOCC1)[NH+](C)C ZINC001311408471 1069366725 /nfs/dbraw/zinc/36/67/25/1069366725.db2.gz UHWXGQSGMLEQPI-LAUBAEHRSA-N 1 0 459.462 3.812 20 0 JHADRO CC[NH+](CC)CCCNC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001311413572 1069367108 /nfs/dbraw/zinc/36/71/08/1069367108.db2.gz CBNNOYSYCCUJDZ-LEWJYISDSA-N 1 0 450.599 3.950 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1)c1ccccc1 ZINC001311417914 1069367799 /nfs/dbraw/zinc/36/77/99/1069367799.db2.gz GAKGSPJYAVCDHE-SFHVURJKSA-N 1 0 459.616 3.538 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC001306658168 1069373232 /nfs/dbraw/zinc/37/32/32/1069373232.db2.gz LUEKFPNKSCWRNH-QFIPXVFZSA-N 1 0 456.635 3.930 20 0 JHADRO COc1ccc(C[C@@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)c2ccc(OC)cc2)cc1 ZINC001311438682 1069379826 /nfs/dbraw/zinc/37/98/26/1069379826.db2.gz RBPMXEYUXIGQGX-XMMPIXPASA-N 1 0 455.599 3.522 20 0 JHADRO Cc1ccc(CNC(=O)c2cccc(CNC(=O)N3CCN(c4cc[nH+]cc4)C[C@@H]3C)c2)cc1 ZINC001311438131 1069379961 /nfs/dbraw/zinc/37/99/61/1069379961.db2.gz RUNMVBUSVZKYTJ-NRFANRHFSA-N 1 0 457.578 3.740 20 0 JHADRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC001311437471 1069379422 /nfs/dbraw/zinc/37/94/22/1069379422.db2.gz OPCCVRARZFFYHQ-IZZNHLLZSA-N 1 0 450.627 3.612 20 0 JHADRO C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)c1 ZINC001311444952 1069382911 /nfs/dbraw/zinc/38/29/11/1069382911.db2.gz USHVZLCKJKMFHG-WBVHZDCISA-N 1 0 459.226 3.786 20 0 JHADRO CO[C@](C)(CNC(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC001311452975 1069385900 /nfs/dbraw/zinc/38/59/00/1069385900.db2.gz UPABFKQHKWPHFZ-JOCHJYFZSA-N 1 0 456.553 3.722 20 0 JHADRO CC(C)O[C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001311453122 1069385993 /nfs/dbraw/zinc/38/59/93/1069385993.db2.gz XUUZGVTXWPUVJE-OAQYLSRUSA-N 1 0 456.553 3.817 20 0 JHADRO O=C(NCCOc1c(Cl)cc(Br)cc1Cl)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001311462283 1069389316 /nfs/dbraw/zinc/38/93/16/1069389316.db2.gz SSLFQHZKYBRXDO-LLVKDONJSA-N 1 0 451.192 3.918 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001306665165 1069391253 /nfs/dbraw/zinc/39/12/53/1069391253.db2.gz NBXINXXKKSUZBO-FCHUYYIVSA-N 1 0 488.702 3.969 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001306665250 1069391718 /nfs/dbraw/zinc/39/17/18/1069391718.db2.gz MHXWPBQXCKUMBH-QHCPKHFHSA-N 1 0 481.689 3.998 20 0 JHADRO COCC(=O)Nc1cccc(CNC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC001311482404 1069398632 /nfs/dbraw/zinc/39/86/32/1069398632.db2.gz KCZVTLHKYFQZMP-UHFFFAOYSA-N 1 0 450.583 3.568 20 0 JHADRO CCCOCc1ccccc1CNC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001311485499 1069399564 /nfs/dbraw/zinc/39/95/64/1069399564.db2.gz DTRXCVOZZUVBAP-SANMLTNESA-N 1 0 450.627 3.715 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)cc1 ZINC001311493037 1069404227 /nfs/dbraw/zinc/40/42/27/1069404227.db2.gz IMXSRKGNWNLVJI-GSPPDTAYSA-N 1 0 457.615 3.561 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001306679396 1069404905 /nfs/dbraw/zinc/40/49/05/1069404905.db2.gz JFRVCDCEENSGMY-UYAOXDASSA-N 1 0 483.642 3.685 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N3CC(OCCCc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC001311495432 1069405754 /nfs/dbraw/zinc/40/57/54/1069405754.db2.gz JVDQFOCIAGUEJQ-SZPZYZBQSA-N 1 0 451.611 3.839 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001306679857 1069405836 /nfs/dbraw/zinc/40/58/36/1069405836.db2.gz UNQZTVSLDDOBPJ-RUZDIDTESA-N 1 0 452.603 3.789 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@@H](C)O)cc2)CC1 ZINC001306679867 1069406468 /nfs/dbraw/zinc/40/64/68/1069406468.db2.gz UOGXBDVUXTZKMU-HXUWFJFHSA-N 1 0 465.646 3.729 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C(N)=O)C1 ZINC001306680792 1069408430 /nfs/dbraw/zinc/40/84/30/1069408430.db2.gz FXQQGFHLQYIZRW-HNNXBMFYSA-N 1 0 461.035 3.857 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CC)CCOCC2)CC1 ZINC001306681479 1069410275 /nfs/dbraw/zinc/41/02/75/1069410275.db2.gz ZQGKTDJYSBBTJC-UHFFFAOYSA-N 1 0 474.694 3.669 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001306681633 1069411205 /nfs/dbraw/zinc/41/12/05/1069411205.db2.gz PVKIYVBAIZTYQU-FQEVSTJZSA-N 1 0 484.670 3.547 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001306683516 1069417313 /nfs/dbraw/zinc/41/73/13/1069417313.db2.gz WDAXMHNVWUOGJE-VQTJNVASSA-N 1 0 489.462 3.687 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001306682648 1069413833 /nfs/dbraw/zinc/41/38/33/1069413833.db2.gz KPUFZZYZQXPQCB-MSOLQXFVSA-N 1 0 451.930 3.584 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001306682803 1069414670 /nfs/dbraw/zinc/41/46/70/1069414670.db2.gz LGHIUCPSKAZTNX-SFHVURJKSA-N 1 0 489.462 3.641 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001306682759 1069414781 /nfs/dbraw/zinc/41/47/81/1069414781.db2.gz NJSFHBDBOGZAJI-UHFFFAOYSA-N 1 0 490.990 3.725 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001306682913 1069415319 /nfs/dbraw/zinc/41/53/19/1069415319.db2.gz MFEUXLMLYFCJSA-GOSISDBHSA-N 1 0 473.025 3.876 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001306683125 1069416002 /nfs/dbraw/zinc/41/60/02/1069416002.db2.gz PHSPDFLBNBDOLQ-RTWAWAEBSA-N 1 0 457.619 3.700 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccn2C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001306684756 1069420046 /nfs/dbraw/zinc/42/00/46/1069420046.db2.gz SABGSQRWOLMEGQ-UHFFFAOYSA-N 1 0 466.630 3.638 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)c2ccccc2)CC1 ZINC001306685035 1069420115 /nfs/dbraw/zinc/42/01/15/1069420115.db2.gz XZAMFOXRXPCIRY-UHFFFAOYSA-N 1 0 450.635 3.516 20 0 JHADRO CCCC[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001306686569 1069423185 /nfs/dbraw/zinc/42/31/85/1069423185.db2.gz GSPSFMGSSLIPAK-NRFANRHFSA-N 1 0 493.027 3.503 20 0 JHADRO CCCC[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001306686472 1069423249 /nfs/dbraw/zinc/42/32/49/1069423249.db2.gz VTXFAZVGNNHDNO-UHFFFAOYSA-N 1 0 453.557 3.970 20 0 JHADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)NCCc3csc4ccccc34)cc2)CC1 ZINC001311526390 1069423283 /nfs/dbraw/zinc/42/32/83/1069423283.db2.gz LKCXOUQYFVBENU-UHFFFAOYSA-N 1 0 450.608 3.641 20 0 JHADRO CN(C(=O)N[C@H](COc1ccccc1F)c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001311526632 1069423886 /nfs/dbraw/zinc/42/38/86/1069423886.db2.gz XUXBZIBACKCSLU-LADGPHEKSA-N 1 0 454.590 3.756 20 0 JHADRO CCCC[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001306687551 1069424687 /nfs/dbraw/zinc/42/46/87/1069424687.db2.gz LQFAGMOQYUWULJ-UHFFFAOYSA-N 1 0 452.594 3.538 20 0 JHADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC(Oc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC001311532069 1069425719 /nfs/dbraw/zinc/42/57/19/1069425719.db2.gz BBBMEYPHHNQUMI-CALCHBBNSA-N 1 0 454.409 3.501 20 0 JHADRO CCCC[N@H+](C)CCn1c(N2CCOC3(CCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001306689488 1069426477 /nfs/dbraw/zinc/42/64/77/1069426477.db2.gz XCPLCPHXQCZBPA-RUZDIDTESA-N 1 0 463.667 3.590 20 0 JHADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC001311534662 1069427059 /nfs/dbraw/zinc/42/70/59/1069427059.db2.gz FQQSYUFJUIDJRH-NOZRDPDXSA-N 1 0 451.611 3.782 20 0 JHADRO C[C@@H]1C[NH+](CCCNC(=O)NCC2(c3ccc(Br)cc3Cl)CC2)C[C@@H](C)O1 ZINC001311535665 1069428302 /nfs/dbraw/zinc/42/83/02/1069428302.db2.gz SKDBOODKCHALHH-HUUCEWRRSA-N 1 0 458.828 3.933 20 0 JHADRO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001306693131 1069430181 /nfs/dbraw/zinc/43/01/81/1069430181.db2.gz XHZYERHVRAYIPY-HXUWFJFHSA-N 1 0 465.646 3.939 20 0 JHADRO CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001306701518 1069436813 /nfs/dbraw/zinc/43/68/13/1069436813.db2.gz YLFWDIYRXYEFDB-KDURUIRLSA-N 1 0 492.510 3.841 20 0 JHADRO COC(=O)c1ccc(F)c2c1CN(C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)CC2 ZINC001311575437 1069445852 /nfs/dbraw/zinc/44/58/52/1069445852.db2.gz WQUQDPWKMPWYPG-JOCHJYFZSA-N 1 0 455.530 3.526 20 0 JHADRO CC[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001311577243 1069446407 /nfs/dbraw/zinc/44/64/07/1069446407.db2.gz SEJWNHNBOFFOBA-RJGXRXQPSA-N 1 0 456.656 3.864 20 0 JHADRO Cc1ccc(CNC(=O)C2CCN(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC2)cc1 ZINC001311577826 1069446851 /nfs/dbraw/zinc/44/68/51/1069446851.db2.gz WNOUZOLJXMFQHB-JOCHJYFZSA-N 1 0 454.640 3.931 20 0 JHADRO CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001306708923 1069443209 /nfs/dbraw/zinc/44/32/09/1069443209.db2.gz OGFGCHJXNDJXRG-FQEVSTJZSA-N 1 0 461.054 3.630 20 0 JHADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC001311573221 1069444575 /nfs/dbraw/zinc/44/45/75/1069444575.db2.gz USRNLCJFZFQGKN-REWPJTCUSA-N 1 0 455.672 3.561 20 0 JHADRO O=C(NCc1ccnc(OC2CCOCC2)c1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001311580550 1069448231 /nfs/dbraw/zinc/44/82/31/1069448231.db2.gz MNXPTXRLPVYBRE-JOCHJYFZSA-N 1 0 458.990 3.929 20 0 JHADRO C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001311583990 1069450749 /nfs/dbraw/zinc/45/07/49/1069450749.db2.gz NWGUYOHLQPBKFF-RTBURBONSA-N 1 0 454.681 3.540 20 0 JHADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001311584928 1069451064 /nfs/dbraw/zinc/45/10/64/1069451064.db2.gz UWXFRPKHOHQRHM-IBGZPJMESA-N 1 0 455.571 3.733 20 0 JHADRO COc1ccc(Cl)c(N2CCN(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CC2)c1 ZINC001311584964 1069451179 /nfs/dbraw/zinc/45/11/79/1069451179.db2.gz WFFOBEDOHVDBFB-UHFFFAOYSA-N 1 0 453.052 3.542 20 0 JHADRO O=C(NC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1)OCc1ccccc1 ZINC001311590051 1069453549 /nfs/dbraw/zinc/45/35/49/1069453549.db2.gz GEWOFKGBJZKQRB-UHFFFAOYSA-N 1 0 450.583 3.883 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001306719909 1069454505 /nfs/dbraw/zinc/45/45/05/1069454505.db2.gz DWIOADZPEZNJHS-RLWLMLJZSA-N 1 0 474.694 3.810 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001306721560 1069457838 /nfs/dbraw/zinc/45/78/38/1069457838.db2.gz BMVBOZQBWMZDBZ-TZIWHRDSSA-N 1 0 458.630 3.702 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306721637 1069458519 /nfs/dbraw/zinc/45/85/19/1069458519.db2.gz CUGCUPXFSARCQB-PZJWPPBQSA-N 1 0 485.629 3.616 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306722796 1069461702 /nfs/dbraw/zinc/46/17/02/1069461702.db2.gz LCPJFLGIBGWXTM-XZOQPEGZSA-N 1 0 482.673 3.913 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 ZINC001306722842 1069461877 /nfs/dbraw/zinc/46/18/77/1069461877.db2.gz LRNZVOUXYKSFNN-NHCUHLMSSA-N 1 0 455.651 3.670 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC(C)C ZINC001306723197 1069462419 /nfs/dbraw/zinc/46/24/19/1069462419.db2.gz OTYAFLSPAXAIHT-FQEVSTJZSA-N 1 0 465.646 3.939 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001306723344 1069463510 /nfs/dbraw/zinc/46/35/10/1069463510.db2.gz RSZJAGRXEFACGB-LVXARBLLSA-N 1 0 483.661 3.975 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001306723417 1069463579 /nfs/dbraw/zinc/46/35/79/1069463579.db2.gz QUERUYMOEUQVJD-RXVVDRJESA-N 1 0 474.675 3.655 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001306723564 1069463950 /nfs/dbraw/zinc/46/39/50/1069463950.db2.gz UHOVQETYYDNKDW-UQBPGWFLSA-N 1 0 489.064 3.963 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001306723562 1069464048 /nfs/dbraw/zinc/46/40/48/1069464048.db2.gz UHOVQETYYDNKDW-DFBJGRDBSA-N 1 0 489.064 3.963 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@H]1C ZINC001306723760 1069464825 /nfs/dbraw/zinc/46/48/25/1069464825.db2.gz UZMSQDLJAOGGOK-SJLPKXTDSA-N 1 0 465.440 3.915 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306724964 1069465738 /nfs/dbraw/zinc/46/57/38/1069465738.db2.gz APIZBGBISRPRLY-RBUKOAKNSA-N 1 0 474.600 3.503 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306724686 1069465805 /nfs/dbraw/zinc/46/58/05/1069465805.db2.gz ZCARKZYVXGQUPT-IEBWSBKVSA-N 1 0 483.082 3.517 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001306725708 1069466960 /nfs/dbraw/zinc/46/69/60/1069466960.db2.gz GUDNFUDNOSXHRB-BHDDXSALSA-N 1 0 490.693 3.930 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001306725999 1069467704 /nfs/dbraw/zinc/46/77/04/1069467704.db2.gz JBUIGSCEVZUTAV-AVRDEDQJSA-N 1 0 490.599 3.790 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001306726812 1069470496 /nfs/dbraw/zinc/47/04/96/1069470496.db2.gz NOAQNKFVILMBQQ-OAQYLSRUSA-N 1 0 459.660 3.974 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001306727307 1069471719 /nfs/dbraw/zinc/47/17/19/1069471719.db2.gz PMAUNMRQOGMOCK-GHTZIAJQSA-N 1 0 489.690 3.565 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001306728521 1069476110 /nfs/dbraw/zinc/47/61/10/1069476110.db2.gz HLTBOOHXQMREOU-NCXUSEDFSA-N 1 0 459.557 3.940 20 0 JHADRO C[C@@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC001311629314 1069478284 /nfs/dbraw/zinc/47/82/84/1069478284.db2.gz BENUKFKQXPSBAV-YKSBVNFPSA-N 1 0 456.656 3.648 20 0 JHADRO COc1cc(OC)c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(OC)c1 ZINC001311630802 1069478824 /nfs/dbraw/zinc/47/88/24/1069478824.db2.gz UCSRBPOKJBKPEZ-NZQKXSOJSA-N 1 0 453.583 3.909 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC3CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001306729836 1069479681 /nfs/dbraw/zinc/47/96/81/1069479681.db2.gz AVRZDIXFLWZDJH-NNXSRULWSA-N 1 0 488.721 3.640 20 0 JHADRO Cc1ccc(C(=O)Nc2cccc(CNC(=O)N3CCC([NH2+]C4CCOCC4)CC3)c2)cc1 ZINC001311632857 1069479883 /nfs/dbraw/zinc/47/98/83/1069479883.db2.gz HCMWNOQFLPCESZ-UHFFFAOYSA-N 1 0 450.583 3.690 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001306730566 1069482527 /nfs/dbraw/zinc/48/25/27/1069482527.db2.gz NTKDORQBKVYGBL-SFTDATJTSA-N 1 0 488.702 3.785 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001306730884 1069483539 /nfs/dbraw/zinc/48/35/39/1069483539.db2.gz ICPLRESPFYNLQW-NHCUHLMSSA-N 1 0 482.677 3.521 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001306732646 1069490188 /nfs/dbraw/zinc/49/01/88/1069490188.db2.gz WFZKSUNNISIYDW-QFIPXVFZSA-N 1 0 459.683 3.517 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCSCC2)C1 ZINC001306731792 1069487377 /nfs/dbraw/zinc/48/73/77/1069487377.db2.gz FZJGXUWLOYNFKB-LADGPHEKSA-N 1 0 498.741 3.747 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CC2CC[NH+](CCC)CC2)C1 ZINC001306731913 1069487864 /nfs/dbraw/zinc/48/78/64/1069487864.db2.gz KJGFIFOPAOHACG-ZJSXRUAMSA-N 1 0 481.689 3.983 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001306732179 1069488680 /nfs/dbraw/zinc/48/86/80/1069488680.db2.gz VFIKMQQPRFTXON-XMMPIXPASA-N 1 0 482.673 3.879 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306732955 1069491666 /nfs/dbraw/zinc/49/16/66/1069491666.db2.gz XAIFDTMIIQPNPL-PMACEKPBSA-N 1 0 473.593 3.650 20 0 JHADRO C[C@@H]1CCC[C@](CNC(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)([NH+](C)C)C1 ZINC001311658701 1069491847 /nfs/dbraw/zinc/49/18/47/1069491847.db2.gz WKAMSPCINBWRBX-QURRFSBHSA-N 1 0 450.627 3.724 20 0 JHADRO O=C(NCCOc1cccc(Cl)c1Cl)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001311662459 1069492702 /nfs/dbraw/zinc/49/27/02/1069492702.db2.gz KKMRTHXMRPELQI-UHFFFAOYSA-N 1 0 452.382 3.699 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001306733306 1069492767 /nfs/dbraw/zinc/49/27/67/1069492767.db2.gz NHTBBNXYJXJGIW-MQSCRBSSSA-N 1 0 482.673 3.817 20 0 JHADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCc3ccc(Oc4cccnc4)c(F)c3)CC2)CC1 ZINC001311664296 1069493406 /nfs/dbraw/zinc/49/34/06/1069493406.db2.gz BOMBISPCPXOACN-UHFFFAOYSA-N 1 0 455.578 3.713 20 0 JHADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001311670750 1069497491 /nfs/dbraw/zinc/49/74/91/1069497491.db2.gz GZSGPUKPKQLXMQ-BBPUYGCGSA-N 1 0 468.564 3.599 20 0 JHADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3ccc(N4CCCCC4=O)cc3)cc2)CC1 ZINC001311691860 1069505714 /nfs/dbraw/zinc/50/57/14/1069505714.db2.gz REBKRCVRTDEJFD-UHFFFAOYSA-N 1 0 450.583 3.676 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001306738106 1069508206 /nfs/dbraw/zinc/50/82/06/1069508206.db2.gz ZAUTYNBJDIUSRN-IRLDBZIGSA-N 1 0 469.678 3.916 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001306741078 1069516138 /nfs/dbraw/zinc/51/61/38/1069516138.db2.gz ZAVQDTIZGHSMBA-VQTJNVASSA-N 1 0 456.610 3.701 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718800 1069517798 /nfs/dbraw/zinc/51/77/98/1069517798.db2.gz JKKQOWWIDZHXLW-LXGFNABISA-N 1 0 458.569 3.885 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](CN2CCCC2=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001311719618 1069518411 /nfs/dbraw/zinc/51/84/11/1069518411.db2.gz WQBXNKVNDJBJLN-FXAWDEMLSA-N 1 0 454.537 3.742 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306743544 1069522751 /nfs/dbraw/zinc/52/27/51/1069522751.db2.gz JSOXZCGIESRELL-PKTZIBPZSA-N 1 0 495.716 3.907 20 0 JHADRO O=C(NCCCN1C(=O)COc2ccccc21)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001311725875 1069523118 /nfs/dbraw/zinc/52/31/18/1069523118.db2.gz KSUIPONYSIWPJE-UHFFFAOYSA-N 1 0 450.583 3.678 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([NH+](C)C)CCC2)C1 ZINC001306743830 1069523241 /nfs/dbraw/zinc/52/32/41/1069523241.db2.gz UDOCPRZGNPPAFO-YPAWHYETSA-N 1 0 488.721 3.814 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306745172 1069527234 /nfs/dbraw/zinc/52/72/34/1069527234.db2.gz NJBJHQLWFLCULX-OAQYLSRUSA-N 1 0 482.673 3.818 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001306745553 1069528620 /nfs/dbraw/zinc/52/86/20/1069528620.db2.gz RCVSQDJCTPHKKB-FQEVSTJZSA-N 1 0 456.610 3.701 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC001306744958 1069526507 /nfs/dbraw/zinc/52/65/07/1069526507.db2.gz ZMNKDTNEDISJEV-UHFFFAOYSA-N 1 0 466.674 3.633 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001306746458 1069530716 /nfs/dbraw/zinc/53/07/16/1069530716.db2.gz NVRXEYUPSGHADL-OYRHEFFESA-N 1 0 490.737 3.887 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001306746227 1069530752 /nfs/dbraw/zinc/53/07/52/1069530752.db2.gz ZLTJYCOKRUSYKX-OAQYLSRUSA-N 1 0 467.662 3.737 20 0 JHADRO COc1ccc(OC)c(CN(CCO)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC001311766553 1069538644 /nfs/dbraw/zinc/53/86/44/1069538644.db2.gz UPFFCFJTLDJOHG-UHFFFAOYSA-N 1 0 455.599 3.784 20 0 JHADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001311761094 1069536251 /nfs/dbraw/zinc/53/62/51/1069536251.db2.gz IYCCGUCZTAAJGK-IEBWSBKVSA-N 1 0 450.649 3.905 20 0 JHADRO CCN(C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311761361 1069536399 /nfs/dbraw/zinc/53/63/99/1069536399.db2.gz JVQYQCQZXWZDHL-JWQCQUIFSA-N 1 0 454.590 3.505 20 0 JHADRO CCCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001306760559 1069560317 /nfs/dbraw/zinc/56/03/17/1069560317.db2.gz FEUUTXKIVACOIJ-DLBZAZTESA-N 1 0 467.456 3.782 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NC[C@@H](C)Oc2cccc(OC)c2)CC1 ZINC001311821979 1069561051 /nfs/dbraw/zinc/56/10/51/1069561051.db2.gz GZZJVIYLXDRLHV-MOPGFXCFSA-N 1 0 458.578 3.804 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CCOc3ccc(OC)cc3C2)CC1 ZINC001311822561 1069561719 /nfs/dbraw/zinc/56/17/19/1069561719.db2.gz OKKKHIWVSZXEIP-GOSISDBHSA-N 1 0 456.562 3.641 20 0 JHADRO CCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001306768743 1069568514 /nfs/dbraw/zinc/56/85/14/1069568514.db2.gz MIIVIRREYAJQCO-UHFFFAOYSA-N 1 0 465.440 3.917 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccn(C)n2)C1 ZINC001306778985 1069574416 /nfs/dbraw/zinc/57/44/16/1069574416.db2.gz CLNSCQMCEZJIEF-RBUKOAKNSA-N 1 0 455.582 3.507 20 0 JHADRO CCCN(C)c1nnc(-c2ccccc2Br)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306771679 1069570474 /nfs/dbraw/zinc/57/04/74/1069570474.db2.gz YUXUXCFZIAGORU-UHFFFAOYSA-N 1 0 450.425 3.789 20 0 JHADRO C[NH+](C)CC[C@@H](NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)C(C)(C)C ZINC001311837091 1069572095 /nfs/dbraw/zinc/57/20/95/1069572095.db2.gz IUNPDTVIDJDPDK-WOJBJXKFSA-N 1 0 458.569 3.744 20 0 JHADRO C[NH+](C)CC[C@@H](NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)C(C)(C)C ZINC001311837090 1069572148 /nfs/dbraw/zinc/57/21/48/1069572148.db2.gz IUNPDTVIDJDPDK-VQTJNVASSA-N 1 0 458.569 3.744 20 0 JHADRO C[NH+](C)CC[C@H](NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)C(C)(C)C ZINC001311837089 1069572355 /nfs/dbraw/zinc/57/23/55/1069572355.db2.gz IUNPDTVIDJDPDK-UXHICEINSA-N 1 0 458.569 3.744 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccn(C)n2)C1 ZINC001306778986 1069574781 /nfs/dbraw/zinc/57/47/81/1069574781.db2.gz CLNSCQMCEZJIEF-RTBURBONSA-N 1 0 455.582 3.507 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC=CCC2)C1 ZINC001306780263 1069577173 /nfs/dbraw/zinc/57/71/73/1069577173.db2.gz MIUPRXJCGWMNEK-NHCUHLMSSA-N 1 0 471.671 3.873 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCn2ccnn2)C1 ZINC001306783429 1069582239 /nfs/dbraw/zinc/58/22/39/1069582239.db2.gz HIPIXAWQTQJLHR-INIZCTEOSA-N 1 0 493.479 3.619 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCSC2)C1 ZINC001306783409 1069582537 /nfs/dbraw/zinc/58/25/37/1069582537.db2.gz HDPSOEDDUYDNDZ-VGOFRKELSA-N 1 0 494.503 3.744 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc3ccccc23)C1 ZINC001306782003 1069579828 /nfs/dbraw/zinc/57/98/28/1069579828.db2.gz IBNVIOHHBZOMFB-SFHVURJKSA-N 1 0 454.644 3.847 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](OC)C(C)(C)C)C1 ZINC001306782149 1069580452 /nfs/dbraw/zinc/58/04/52/1069580452.db2.gz BSWUTCOUSILGTO-XMSQKQJNSA-N 1 0 457.619 3.903 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)Nc2c(C)cccc2C)C1 ZINC001306782567 1069580554 /nfs/dbraw/zinc/58/05/54/1069580554.db2.gz LGSPBWZFISINOM-FGZHOGPDSA-N 1 0 468.646 3.596 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001306782680 1069581233 /nfs/dbraw/zinc/58/12/33/1069581233.db2.gz FQNQNZUZUAYJFX-OAQYLSRUSA-N 1 0 452.647 3.904 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](CC)OC)C1 ZINC001306783724 1069583678 /nfs/dbraw/zinc/58/36/78/1069583678.db2.gz OGCPJEPBFAHWCL-UNMCSNQZSA-N 1 0 492.709 3.986 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2COCCO2)C1 ZINC001306784011 1069584136 /nfs/dbraw/zinc/58/41/36/1069584136.db2.gz JTOZYLZWTJPFCL-REWPJTCUSA-N 1 0 455.647 3.826 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc3ccccc3s2)C1 ZINC001306784831 1069585213 /nfs/dbraw/zinc/58/52/13/1069585213.db2.gz TXLRNHLIKYAFFT-SFHVURJKSA-N 1 0 454.644 3.847 20 0 JHADRO 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Cc1ccc(C[C@H](CO)CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1Br ZINC001312182641 1069769774 /nfs/dbraw/zinc/76/97/74/1069769774.db2.gz TUUBWMGZCHBRGB-SFHVURJKSA-N 1 0 452.437 3.615 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001307041841 1069769924 /nfs/dbraw/zinc/76/99/24/1069769924.db2.gz VCQSCSMFBUZCHZ-UXHICEINSA-N 1 0 466.552 3.544 20 0 JHADRO C[N@H+](CCNC(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1)Cc1ccc(F)cc1 ZINC001312184527 1069770405 /nfs/dbraw/zinc/77/04/05/1069770405.db2.gz IEDXNNNNEUDKRH-XMMPIXPASA-N 1 0 454.590 3.571 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001307041950 1069770740 /nfs/dbraw/zinc/77/07/40/1069770740.db2.gz NFVWEPVHUKLPEE-FCHUYYIVSA-N 1 0 482.673 3.688 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001314195661 1069770855 /nfs/dbraw/zinc/77/08/55/1069770855.db2.gz DXIRODGYZHEHTF-NHCUHLMSSA-N 1 0 498.672 3.654 20 0 JHADRO CCCN(CCC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H]1CC[N@H+](CCC)C1 ZINC001307043262 1069774613 /nfs/dbraw/zinc/77/46/13/1069774613.db2.gz NYKVSZCRPRQPMG-LJQANCHMSA-N 1 0 451.619 3.550 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](CC)C2)C1 ZINC001307042990 1069773732 /nfs/dbraw/zinc/77/37/32/1069773732.db2.gz MRTNZOOYTOSJNA-FKBYEOEOSA-N 1 0 490.693 3.740 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001314196226 1069773710 /nfs/dbraw/zinc/77/37/10/1069773710.db2.gz ACKGYZMBWLQDFP-VNTMZGSJSA-N 1 0 457.619 3.913 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(F)(F)C2)C1 ZINC001307043570 1069774289 /nfs/dbraw/zinc/77/42/89/1069774289.db2.gz RGODAUTVAGBLLR-MOPGFXCFSA-N 1 0 482.620 3.970 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2sc(CC)nc2C)CC1 ZINC001307043946 1069776771 /nfs/dbraw/zinc/77/67/71/1069776771.db2.gz VZQIFWIAECHSIX-MJGOQNOKSA-N 1 0 473.691 3.876 20 0 JHADRO CC[C@@H]1CN(C(=O)NCCC(=O)Nc2cc(Cl)ccc2OC)CC[N@@H+]1Cc1ccccc1 ZINC001312204283 1069778712 /nfs/dbraw/zinc/77/87/12/1069778712.db2.gz GFIAJRYWDUTERV-HXUWFJFHSA-N 1 0 458.990 3.983 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001307044692 1069779100 /nfs/dbraw/zinc/77/91/00/1069779100.db2.gz IDQCFACRDWBNBA-JOCHJYFZSA-N 1 0 482.673 3.638 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2C[C@@H](C)OC)cc1 ZINC001314197196 1069779157 /nfs/dbraw/zinc/77/91/57/1069779157.db2.gz KLELOHZEBYINBR-PWRODBHTSA-N 1 0 487.645 3.541 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(=O)OC)C3)n2C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC001314198357 1069782718 /nfs/dbraw/zinc/78/27/18/1069782718.db2.gz OMZXBIJITOAPSP-NJYVYQBISA-N 1 0 485.629 3.691 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001307046055 1069783798 /nfs/dbraw/zinc/78/37/98/1069783798.db2.gz QFHMAKDMWIAAFK-SIKLNZKXSA-N 1 0 471.646 3.824 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)c(OC)c3)n2CC2=CCCOC2)CC1 ZINC001307044945 1069780109 /nfs/dbraw/zinc/78/01/09/1069780109.db2.gz BHSYXICPHFPJAR-UHFFFAOYSA-N 1 0 455.603 3.620 20 0 JHADRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001312205286 1069780190 /nfs/dbraw/zinc/78/01/90/1069780190.db2.gz KZKJSUYHWZDVFY-LOSJGSFVSA-N 1 0 451.611 3.826 20 0 JHADRO COc1ccc(C[C@@H]2CCCCN2C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC001312206994 1069782050 /nfs/dbraw/zinc/78/20/50/1069782050.db2.gz VLIDHAWDSPRUGQ-DEOSSOPVSA-N 1 0 451.611 3.959 20 0 JHADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001312219434 1069790544 /nfs/dbraw/zinc/79/05/44/1069790544.db2.gz PHAYHWWVJTTYBQ-ROUUACIJSA-N 1 0 458.006 3.839 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCc4oncc4C3)n2CC[N@H+](C)C(C)C)cc1 ZINC001314199680 1069788446 /nfs/dbraw/zinc/78/84/46/1069788446.db2.gz SHTGJKGIWRDJMQ-SFHVURJKSA-N 1 0 454.575 3.708 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(=O)OCC)CC2)CC1 ZINC001307047336 1069789059 /nfs/dbraw/zinc/78/90/59/1069789059.db2.gz YODLTHCCYRLZJS-UHFFFAOYSA-N 1 0 498.672 3.874 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](COC(C)C)C2)C1 ZINC001307047773 1069791415 /nfs/dbraw/zinc/79/14/15/1069791415.db2.gz ZQSUNDBRYIBEAY-WBADGQHESA-N 1 0 477.694 3.559 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001307048055 1069792707 /nfs/dbraw/zinc/79/27/07/1069792707.db2.gz LCXYGZDZRGBRJO-UHFFFAOYSA-N 1 0 486.636 3.797 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2nnc(C)s2)cc1 ZINC001314200988 1069793979 /nfs/dbraw/zinc/79/39/79/1069793979.db2.gz WJLPBYIBPOKAPK-QGZVFWFLSA-N 1 0 485.658 3.992 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001307050408 1069799498 /nfs/dbraw/zinc/79/94/98/1069799498.db2.gz WRXDUKWZOIOEEK-UHFFFAOYSA-N 1 0 498.031 3.968 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 ZINC001307049002 1069796110 /nfs/dbraw/zinc/79/61/10/1069796110.db2.gz GOCQWEYYOKFMNO-HRNNMHKYSA-N 1 0 477.694 3.977 20 0 JHADRO CCOc1cccc(CCn2c(C(=O)NC(CC)CC)nnc2N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC001314201749 1069797760 /nfs/dbraw/zinc/79/77/60/1069797760.db2.gz WLGPJVIBIIBKOL-JOCHJYFZSA-N 1 0 468.646 3.512 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@H](OC)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001314202821 1069804651 /nfs/dbraw/zinc/80/46/51/1069804651.db2.gz VHQQDKNBVXJLIG-SXWKCWPCSA-N 1 0 457.619 3.774 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(OC)CCOC2)CC1 ZINC001307051099 1069803113 /nfs/dbraw/zinc/80/31/13/1069803113.db2.gz WZKGXKRLLOFODI-CLOONOSVSA-N 1 0 475.609 3.673 20 0 JHADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC001312247373 1069805723 /nfs/dbraw/zinc/80/57/23/1069805723.db2.gz IQQMXJCFHIXQTC-RDJZCZTQSA-N 1 0 459.944 3.706 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3n[nH]c(=O)c4ccccc43)n2C[C@H](OC)[C@H](C)CC)CC1 ZINC001307051969 1069806598 /nfs/dbraw/zinc/80/65/98/1069806598.db2.gz PJQLYTCWVCCAJB-GCJKJVERSA-N 1 0 481.645 3.966 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001307052414 1069808090 /nfs/dbraw/zinc/80/80/90/1069808090.db2.gz ABYLZVYCQMFLAQ-JOCHJYFZSA-N 1 0 456.610 3.768 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cnn(C)c1C ZINC001307053255 1069812408 /nfs/dbraw/zinc/81/24/08/1069812408.db2.gz CEOMZSRLVMFXEU-QFIPXVFZSA-N 1 0 481.645 3.905 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307053705 1069813863 /nfs/dbraw/zinc/81/38/63/1069813863.db2.gz JNFGRVUGJRLBJV-XXBNENTESA-N 1 0 486.636 3.927 20 0 JHADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)[C@@H](C)C1 ZINC001312266528 1069823644 /nfs/dbraw/zinc/82/36/44/1069823644.db2.gz RWBNHJSSQFAOFP-UWJYYQICSA-N 1 0 451.453 3.785 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001307055284 1069820874 /nfs/dbraw/zinc/82/08/74/1069820874.db2.gz OZKFCMFAWAYTGT-OALUTQOASA-N 1 0 489.462 3.592 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001307056116 1069824667 /nfs/dbraw/zinc/82/46/67/1069824667.db2.gz BWNIJLGONKLOFM-JTHBVZDNSA-N 1 0 468.646 3.820 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001307056155 1069824956 /nfs/dbraw/zinc/82/49/56/1069824956.db2.gz CHVIVPCMNQOVER-HSZRJFAPSA-N 1 0 498.720 3.511 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001307056440 1069827524 /nfs/dbraw/zinc/82/75/24/1069827524.db2.gz SWIOSIIBDSYTTP-JIPXPUAJSA-N 1 0 498.672 3.579 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C)C1 ZINC001307056678 1069829129 /nfs/dbraw/zinc/82/91/29/1069829129.db2.gz WDRHNBVTDOSYHK-NVXWUHKLSA-N 1 0 451.413 3.525 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001307056834 1069829543 /nfs/dbraw/zinc/82/95/43/1069829543.db2.gz CJCAGKGTTUCJSQ-YADHBBJMSA-N 1 0 491.677 3.676 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(CC)C(=O)C1 ZINC001307057310 1069833346 /nfs/dbraw/zinc/83/33/46/1069833346.db2.gz DXCLGHYCQXIZKS-QHCPKHFHSA-N 1 0 482.673 3.797 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001307057022 1069832399 /nfs/dbraw/zinc/83/23/99/1069832399.db2.gz USSUGHWHNPZOPH-QFIPXVFZSA-N 1 0 468.646 3.700 20 0 JHADRO CCOc1ccccc1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001314211915 1069836226 /nfs/dbraw/zinc/83/62/26/1069836226.db2.gz JTJBSHWNQDQNHH-OAQYLSRUSA-N 1 0 455.647 3.667 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001307057943 1069836868 /nfs/dbraw/zinc/83/68/68/1069836868.db2.gz HGFPHRIZXCVMMZ-JOCHJYFZSA-N 1 0 472.703 3.890 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC001307058114 1069836959 /nfs/dbraw/zinc/83/69/59/1069836959.db2.gz IKCHQDVHDNKIRT-QHCPKHFHSA-N 1 0 494.750 3.526 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC001307058113 1069837474 /nfs/dbraw/zinc/83/74/74/1069837474.db2.gz IKCHQDVHDNKIRT-HSZRJFAPSA-N 1 0 494.750 3.526 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cnn(C)c1C ZINC001307058782 1069840198 /nfs/dbraw/zinc/84/01/98/1069840198.db2.gz OEHJHTTXZHSSQD-NRFANRHFSA-N 1 0 456.664 3.577 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc([C@H](C)CC)n3CC3([NH+](C)C)CCCC3)CC2)n1 ZINC001314214280 1069843127 /nfs/dbraw/zinc/84/31/27/1069843127.db2.gz WZFPJFHUUNIEQA-HXUWFJFHSA-N 1 0 455.651 3.786 20 0 JHADRO CCOc1ccccc1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001314214396 1069843513 /nfs/dbraw/zinc/84/35/13/1069843513.db2.gz WZLPIBUFHCJSNK-UHFFFAOYSA-N 1 0 465.646 3.702 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001307059304 1069844049 /nfs/dbraw/zinc/84/40/49/1069844049.db2.gz RNQOKXSZPQOTBR-PMACEKPBSA-N 1 0 484.611 3.780 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1 ZINC001307059256 1069844430 /nfs/dbraw/zinc/84/44/30/1069844430.db2.gz VECOYWRWGUIQQJ-RTWAWAEBSA-N 1 0 474.650 3.617 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 ZINC001307059277 1069844716 /nfs/dbraw/zinc/84/47/16/1069844716.db2.gz VRLFGJSQVOZURU-OAQYLSRUSA-N 1 0 457.667 3.750 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC=C(Br)C1 ZINC001307059426 1069844854 /nfs/dbraw/zinc/84/48/54/1069844854.db2.gz WREVTLJWPULRHW-HKUYNNGSSA-N 1 0 452.441 3.926 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001307061376 1069852145 /nfs/dbraw/zinc/85/21/45/1069852145.db2.gz GGMVNRFBRUJUMC-IBGZPJMESA-N 1 0 477.650 3.752 20 0 JHADRO 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CCCN1CCCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1=O ZINC001307063803 1069863983 /nfs/dbraw/zinc/86/39/83/1069863983.db2.gz DXTJUWZHGJERCA-OAQYLSRUSA-N 1 0 468.646 3.523 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC(F)(F)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314219770 1069864270 /nfs/dbraw/zinc/86/42/70/1069864270.db2.gz DLXLPPQFGXFFHD-QGZVFWFLSA-N 1 0 461.513 3.997 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCCCC2)CC1=O ZINC001307065496 1069870767 /nfs/dbraw/zinc/87/07/67/1069870767.db2.gz PDOWJQHFCAIYTA-UHFFFAOYSA-N 1 0 452.647 3.502 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1=O ZINC001307065845 1069872318 /nfs/dbraw/zinc/87/23/18/1069872318.db2.gz RMTCQJKYBIMUFN-JIPXPUAJSA-N 1 0 484.664 3.967 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[C@H](C(=O)OC)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001314222260 1069875645 /nfs/dbraw/zinc/87/56/45/1069875645.db2.gz KNCFPWOJMNCAGH-NRFANRHFSA-N 1 0 499.656 3.910 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)[C@H]2C)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001314222418 1069876091 /nfs/dbraw/zinc/87/60/91/1069876091.db2.gz KKVQOFNOFCUXGY-BHDDXSALSA-N 1 0 471.646 3.847 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCCC2)CC1 ZINC001312338778 1069873517 /nfs/dbraw/zinc/87/35/17/1069873517.db2.gz CSBCRRZTXMOKAP-UHFFFAOYSA-N 1 0 456.675 3.992 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[C@@H](C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001314221876 1069874255 /nfs/dbraw/zinc/87/42/55/1069874255.db2.gz FWQQLYHDXCGULP-OAQYLSRUSA-N 1 0 471.646 3.729 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC(C(=O)OC)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314223134 1069880126 /nfs/dbraw/zinc/88/01/26/1069880126.db2.gz QMAYLRIBXGMXLW-UHFFFAOYSA-N 1 0 499.656 3.910 20 0 JHADRO CC1CC[NH+](C2CCC(NC(=O)N[C@@](C)(CO)c3cccc(Br)c3)CC2)CC1 ZINC001312354351 1069882278 /nfs/dbraw/zinc/88/22/78/1069882278.db2.gz NYTMRBXVDOXVGT-AOMIVXANSA-N 1 0 452.437 3.999 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001307067999 1069878972 /nfs/dbraw/zinc/87/89/72/1069878972.db2.gz NVOQXEUUJOMAAR-QFIPXVFZSA-N 1 0 469.630 3.884 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](CC)C1 ZINC001307070256 1069885529 /nfs/dbraw/zinc/88/55/29/1069885529.db2.gz ZUROPHKPKGPBCW-SFTDATJTSA-N 1 0 457.619 3.745 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC(C)(C)COC ZINC001314225611 1069891572 /nfs/dbraw/zinc/89/15/72/1069891572.db2.gz MZSXKWKVVAMHQR-FQEVSTJZSA-N 1 0 457.619 3.603 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCC(C)(F)F ZINC001314225110 1069889433 /nfs/dbraw/zinc/88/94/33/1069889433.db2.gz JJDQHNFNLUYRQO-LJQANCHMSA-N 1 0 493.599 3.991 20 0 JHADRO C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001312365816 1069890285 /nfs/dbraw/zinc/89/02/85/1069890285.db2.gz DAIKYIQHJJTRQJ-CJFMBICVSA-N 1 0 452.599 3.923 20 0 JHADRO 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C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)CC1=O ZINC001312409119 1069914893 /nfs/dbraw/zinc/91/48/93/1069914893.db2.gz OJJMVRKIJAOGRI-AZUAARDMSA-N 1 0 454.537 3.537 20 0 JHADRO COC(=O)[C@H](CC(C)C)Sc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC001307258980 1069917723 /nfs/dbraw/zinc/91/77/23/1069917723.db2.gz LOFYIHFUZLWPKJ-KRWDZBQOSA-N 1 0 451.658 3.968 20 0 JHADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312412278 1069917940 /nfs/dbraw/zinc/91/79/40/1069917940.db2.gz KMMVAAFMZPFUQS-ABSDTBQOSA-N 1 0 454.974 3.782 20 0 JHADRO CC(C)CC(=O)N1CCCN(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001312416298 1069921481 /nfs/dbraw/zinc/92/14/81/1069921481.db2.gz WCHPHAWTYVIGMZ-GCJKJVERSA-N 1 0 453.002 3.762 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001312455439 1069949634 /nfs/dbraw/zinc/94/96/34/1069949634.db2.gz INWCFYHHULHVST-CZAAIQMYSA-N 1 0 451.489 3.828 20 0 JHADRO C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001312477659 1069960339 /nfs/dbraw/zinc/96/03/39/1069960339.db2.gz AGDIWQKCBLGKHJ-RGMHLJPOSA-N 1 0 480.575 3.886 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)C1(C)C ZINC001314246376 1069962806 /nfs/dbraw/zinc/96/28/06/1069962806.db2.gz DTTBSWGLRYBDDR-MXEMCNAFSA-N 1 0 492.709 3.983 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC001312486857 1069965432 /nfs/dbraw/zinc/96/54/32/1069965432.db2.gz CXCBDSHYQINYSZ-IEZKXTBUSA-N 1 0 452.668 3.671 20 0 JHADRO CCO[C@H]1C[C@H](N(C)c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCC(C)CC2)C1(C)C ZINC001314246289 1069962012 /nfs/dbraw/zinc/96/20/12/1069962012.db2.gz AEIQJOJXKZXTKH-VXKWHMMOSA-N 1 0 457.667 3.511 20 0 JHADRO CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC001307412106 1069971494 /nfs/dbraw/zinc/97/14/94/1069971494.db2.gz CHPFBASSHRHHPJ-MRXNPFEDSA-N 1 0 457.446 3.881 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(CCc3ccccc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC001314248334 1069970184 /nfs/dbraw/zinc/97/01/84/1069970184.db2.gz DEEYCPDBFYSETQ-BJKOFHAPSA-N 1 0 482.717 3.729 20 0 JHADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC001307412689 1069971703 /nfs/dbraw/zinc/97/17/03/1069971703.db2.gz POXTWMYYFYZXJA-XQNSMLJCSA-N 1 0 458.624 3.760 20 0 JHADRO CCCN(C[C@H]1COc2ccccc2O1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001312501462 1069976506 /nfs/dbraw/zinc/97/65/06/1069976506.db2.gz VSEXUHQIQLKAHC-GOTSBHOMSA-N 1 0 453.583 3.539 20 0 JHADRO C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001307416813 1069974107 /nfs/dbraw/zinc/97/41/07/1069974107.db2.gz RARTUNPSVRZGET-WIYYLYMNSA-N 1 0 452.624 3.939 20 0 JHADRO Cc1ccc([C@H](C)[N@H+](C)CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC001307416585 1069974366 /nfs/dbraw/zinc/97/43/66/1069974366.db2.gz YMHUJUWPBVDIRX-FQEVSTJZSA-N 1 0 455.624 3.752 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001307432028 1069982319 /nfs/dbraw/zinc/98/23/19/1069982319.db2.gz SQECFWYHIRANOO-ZWKOTPCHSA-N 1 0 456.612 3.956 20 0 JHADRO C[NH+](C)C1(CNC(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)CCC1 ZINC001312515153 1069983561 /nfs/dbraw/zinc/98/35/61/1069983561.db2.gz CNXWUCFYBLAATD-UHFFFAOYSA-N 1 0 450.627 3.604 20 0 JHADRO O=C(OCc1ccccc1)N1CCC[C@@](O)(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)C1 ZINC001307441657 1069985603 /nfs/dbraw/zinc/98/56/03/1069985603.db2.gz INJWWQFURKWWBD-AZGAKELHSA-N 1 0 456.558 3.970 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC001307446131 1069987814 /nfs/dbraw/zinc/98/78/14/1069987814.db2.gz NZGCTSHTHSZSGO-JOCHJYFZSA-N 1 0 453.583 3.728 20 0 JHADRO CN(C[C@](C)(O)C[NH+]1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)C(=O)OC(C)(C)C ZINC001307454153 1069993947 /nfs/dbraw/zinc/99/39/47/1069993947.db2.gz KRENNXCELLWRQH-CVDCTZTESA-N 1 0 451.995 3.706 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(CC3CCCC3)n2CC2(O)CC[NH+](C(C)C)CC2)C1(C)C ZINC001314258815 1069996182 /nfs/dbraw/zinc/99/61/82/1069996182.db2.gz ZSPIJNOFQUIBER-FCHUYYIVSA-N 1 0 461.695 3.886 20 0 JHADRO COc1ccc(NC(=O)CC[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)cc1Cl ZINC001307466392 1070001360 /nfs/dbraw/zinc/00/13/60/1070001360.db2.gz OWFDXOFBTQLANI-FQEVSTJZSA-N 1 0 452.382 3.682 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cnccn3)n2Cc2cccc(C[N@H+](C)CC)c2)C1(C)C ZINC001314260505 1070001614 /nfs/dbraw/zinc/00/16/14/1070001614.db2.gz ZLRIODSDQVEAQG-XZOQPEGZSA-N 1 0 463.630 3.875 20 0 JHADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001307479359 1070008091 /nfs/dbraw/zinc/00/80/91/1070008091.db2.gz OVPIYZAJMIZRBV-MSOLQXFVSA-N 1 0 457.537 3.865 20 0 JHADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001312551221 1070008184 /nfs/dbraw/zinc/00/81/84/1070008184.db2.gz JALNYCLDCSPRQT-OALUTQOASA-N 1 0 458.525 3.961 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+](C)[C@@H](C)CC)C1 ZINC001314263637 1070008244 /nfs/dbraw/zinc/00/82/44/1070008244.db2.gz BPVXGZZLGJEVBO-FUHWJXTLSA-N 1 0 467.456 3.782 20 0 JHADRO CCOC(=O)c1c2c(sc1NC(=O)CN1CCC[N@H+](Cc3ccccc3)C[C@@H]1C)CCC2 ZINC001307481928 1070009351 /nfs/dbraw/zinc/00/93/51/1070009351.db2.gz KZZOYYHQRBMROT-SFHVURJKSA-N 1 0 455.624 3.948 20 0 JHADRO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC001307483492 1070010191 /nfs/dbraw/zinc/01/01/91/1070010191.db2.gz XMBJCIRIJCBYSE-YIXXDRMTSA-N 1 0 451.611 3.747 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)C1CC1 ZINC001312559831 1070014480 /nfs/dbraw/zinc/01/44/80/1070014480.db2.gz QWAYBRDXXODRDG-QHCPKHFHSA-N 1 0 455.002 3.604 20 0 JHADRO COCCC1(CNC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCCCC1 ZINC001312560163 1070014518 /nfs/dbraw/zinc/01/45/18/1070014518.db2.gz UQGDIAMTFAPXMY-QHCPKHFHSA-N 1 0 457.663 3.612 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001314268370 1070020523 /nfs/dbraw/zinc/02/05/23/1070020523.db2.gz NDHLWXBDPVWVHH-DHIUTWEWSA-N 1 0 455.647 3.872 20 0 JHADRO O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001312593431 1070034420 /nfs/dbraw/zinc/03/44/20/1070034420.db2.gz PDRCPZAUGQGZGM-GOSISDBHSA-N 1 0 453.427 3.629 20 0 JHADRO COC[C@@H](NC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC001312602337 1070039742 /nfs/dbraw/zinc/03/97/42/1070039742.db2.gz NGIOXJOBCNATHF-DNQXCXABSA-N 1 0 457.018 3.629 20 0 JHADRO CCOCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001314279676 1070041171 /nfs/dbraw/zinc/04/11/71/1070041171.db2.gz CLPXJEZIFSWSND-UHFFFAOYSA-N 1 0 471.646 3.565 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC001314277845 1070038286 /nfs/dbraw/zinc/03/82/86/1070038286.db2.gz QOLWGXNJJHPPLF-VWNXMTODSA-N 1 0 470.662 3.791 20 0 JHADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC001312619272 1070047444 /nfs/dbraw/zinc/04/74/44/1070047444.db2.gz QLSAAFNRWJQBIJ-KZNAEPCWSA-N 1 0 456.400 3.977 20 0 JHADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC001307546853 1070047012 /nfs/dbraw/zinc/04/70/12/1070047012.db2.gz ULEQHRHERZMIFG-UZUQRXQVSA-N 1 0 457.621 3.684 20 0 JHADRO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CC2)cc1 ZINC001307556024 1070050558 /nfs/dbraw/zinc/05/05/58/1070050558.db2.gz JMEMEQONEUQWEX-UHFFFAOYSA-N 1 0 459.587 3.996 20 0 JHADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001312628289 1070051580 /nfs/dbraw/zinc/05/15/80/1070051580.db2.gz CXFYHJVFUKAGMJ-AWEZNQCLSA-N 1 0 452.340 3.573 20 0 JHADRO Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CC[NH+](CCCCO)CC3)nc21 ZINC001307561304 1070053563 /nfs/dbraw/zinc/05/35/63/1070053563.db2.gz KYNSNPLMPPLSLQ-UHFFFAOYSA-N 1 0 452.624 3.528 20 0 JHADRO CCOCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001314284444 1070054841 /nfs/dbraw/zinc/05/48/41/1070054841.db2.gz KZRKOJSCZFDQDT-UHFFFAOYSA-N 1 0 450.631 3.977 20 0 JHADRO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001307571019 1070057481 /nfs/dbraw/zinc/05/74/81/1070057481.db2.gz BRIVDQKGWDHQMX-FUHWJXTLSA-N 1 0 453.974 3.614 20 0 JHADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[C@@H](c4ccc(F)cc4)C3)cc2)CC1 ZINC001312638956 1070057457 /nfs/dbraw/zinc/05/74/57/1070057457.db2.gz BRHUJTFFUPXCPJ-VWNXMTODSA-N 1 0 452.574 3.659 20 0 JHADRO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001307588626 1070066916 /nfs/dbraw/zinc/06/69/16/1070066916.db2.gz YTHOZVPOTNKKRD-DRLORSAXSA-N 1 0 450.627 3.550 20 0 JHADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC001307589379 1070068447 /nfs/dbraw/zinc/06/84/47/1070068447.db2.gz ACWDVRGAPZZTPQ-UHFFFAOYSA-N 1 0 453.337 3.979 20 0 JHADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CCOCCN(C)C(=O)OC(C)(C)C)[NH+](C)C ZINC001312659023 1070067170 /nfs/dbraw/zinc/06/71/70/1070067170.db2.gz ICGXNIIFAQAXQB-CTNGQTDRSA-N 1 0 450.624 3.511 20 0 JHADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CCOCCN(C)C(=O)OC(C)(C)C)[NH+](C)C ZINC001312659026 1070067513 /nfs/dbraw/zinc/06/75/13/1070067513.db2.gz ICGXNIIFAQAXQB-TZIWHRDSSA-N 1 0 450.624 3.511 20 0 JHADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC001307597499 1070072314 /nfs/dbraw/zinc/07/23/14/1070072314.db2.gz JHHTTWPCIKYDAV-PYLWXJQRSA-N 1 0 452.595 3.948 20 0 JHADRO CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1 ZINC001312671041 1070072712 /nfs/dbraw/zinc/07/27/12/1070072712.db2.gz LOLKSNNPKHDPBR-SWHJIRTISA-N 1 0 455.624 3.705 20 0 JHADRO CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001307602007 1070075711 /nfs/dbraw/zinc/07/57/11/1070075711.db2.gz HEUQZZAUAQCHIU-ACIOBRDBSA-N 1 0 459.631 3.758 20 0 JHADRO CCOCc1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001314293454 1070075681 /nfs/dbraw/zinc/07/56/81/1070075681.db2.gz RBSOGKNESYWGKS-LJQANCHMSA-N 1 0 499.610 3.875 20 0 JHADRO O=C(NCC1(c2ccc(Br)s2)CCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001312671573 1070073183 /nfs/dbraw/zinc/07/31/83/1070073183.db2.gz IGERBZSSYRDSCW-MRXNPFEDSA-N 1 0 456.450 3.829 20 0 JHADRO CCC[N@H+](C)[C@H](CNC(=O)N1CC2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 ZINC001312674472 1070075865 /nfs/dbraw/zinc/07/58/65/1070075865.db2.gz HPQRQBFXFJMCEY-LJQANCHMSA-N 1 0 451.011 3.985 20 0 JHADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1)c1ccco1 ZINC001312680757 1070079671 /nfs/dbraw/zinc/07/96/71/1070079671.db2.gz RBPMFSVPEBNIMH-DLBZAZTESA-N 1 0 458.525 3.828 20 0 JHADRO CCOCc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1CC1([NH+](C)C)CCCC1 ZINC001314297940 1070081174 /nfs/dbraw/zinc/08/11/74/1070081174.db2.gz LGVNPCOXRHQCDC-LJQANCHMSA-N 1 0 470.618 3.843 20 0 JHADRO CCOCc1nnc(N(C)CC(=O)Nc2c(C)cccc2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001314299757 1070083060 /nfs/dbraw/zinc/08/30/60/1070083060.db2.gz VVZRYQAYCMTYSG-NRFANRHFSA-N 1 0 456.635 3.627 20 0 JHADRO C[C@H]([NH2+]CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@@H](C)c1ccccc1 ZINC001307615328 1070083317 /nfs/dbraw/zinc/08/33/17/1070083317.db2.gz IHIYTXBASUBCJA-BRKPILGPSA-N 1 0 455.555 3.760 20 0 JHADRO CCOCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CC(F)(F)Br ZINC001314301331 1070084694 /nfs/dbraw/zinc/08/46/94/1070084694.db2.gz MTOPANOERCZRMW-MRXNPFEDSA-N 1 0 458.351 3.513 20 0 JHADRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2Cl)ccc1OCCO ZINC001307622406 1070085479 /nfs/dbraw/zinc/08/54/79/1070085479.db2.gz CXEBDDQTLQTSME-LBPRGKRZSA-N 1 0 457.752 3.772 20 0 JHADRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH2+]C[C@H]2COC3(CCCCC3)O2)c2ccccc2)c(C)c1 ZINC001307626358 1070087857 /nfs/dbraw/zinc/08/78/57/1070087857.db2.gz JGRBZASXFPCCLB-XZOQPEGZSA-N 1 0 458.624 3.988 20 0 JHADRO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC001307627293 1070088338 /nfs/dbraw/zinc/08/83/38/1070088338.db2.gz ZGOCUWGHHNBHSM-SFHVURJKSA-N 1 0 459.612 3.722 20 0 JHADRO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)[NH+](C)C)cc1 ZINC001312711078 1070089761 /nfs/dbraw/zinc/08/97/61/1070089761.db2.gz VLQPYOKCVFFKQR-ACESQOTJSA-N 1 0 457.619 3.770 20 0 JHADRO CCOc1cc(NC2CCN(C(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)CC2)ncn1 ZINC001312711647 1070090399 /nfs/dbraw/zinc/09/03/99/1070090399.db2.gz COXFEEKKOLGHNY-UHFFFAOYSA-N 1 0 452.603 3.516 20 0 JHADRO Cc1cc([C@H]([NH2+]CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C2CC2)ccc1F ZINC001307636411 1070093930 /nfs/dbraw/zinc/09/39/30/1070093930.db2.gz IBKPSQKHVNOTDG-XMMPIXPASA-N 1 0 459.587 3.988 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)N(C)CCCOc3ccc(F)cc3)CC2)cc1 ZINC001312714614 1070091312 /nfs/dbraw/zinc/09/13/12/1070091312.db2.gz ATRZNTHMRWNGFU-UHFFFAOYSA-N 1 0 456.562 3.859 20 0 JHADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccc(F)cc3)C[C@@H]21 ZINC001312732681 1070096419 /nfs/dbraw/zinc/09/64/19/1070096419.db2.gz DVINKBRQMZUSAO-CZAYHTPWSA-N 1 0 460.594 3.512 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1Cc1ccc(C)cc1F ZINC001314309911 1070097099 /nfs/dbraw/zinc/09/70/99/1070097099.db2.gz ADIDICXAPUXQML-GBXCKJPGSA-N 1 0 469.609 3.563 20 0 JHADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)(C)c1ccccc1 ZINC001307642478 1070097669 /nfs/dbraw/zinc/09/76/69/1070097669.db2.gz JERUYZPSTMWIEO-JKSUJKDBSA-N 1 0 452.020 3.873 20 0 JHADRO CCOCc1nnc(N(CC)C[C@@H]2COc3ccccc3O2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314316265 1070101627 /nfs/dbraw/zinc/10/16/27/1070101627.db2.gz UHDQRJFPNYOCEY-LEWJYISDSA-N 1 0 457.619 3.601 20 0 JHADRO C[C@@H]([NH2+]C1(CNC(=O)NCCc2cccc(C(F)(F)F)n2)CCOCC1)c1ccccc1 ZINC001312751940 1070103333 /nfs/dbraw/zinc/10/33/33/1070103333.db2.gz GSIOVQDUSUYGJD-QGZVFWFLSA-N 1 0 450.505 3.842 20 0 JHADRO CSc1ccc([C@@H](CNC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)[NH+](C)C)cc1 ZINC001312754594 1070104443 /nfs/dbraw/zinc/10/44/43/1070104443.db2.gz FZQSQESUPXULFO-JOCHJYFZSA-N 1 0 456.612 3.928 20 0 JHADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C[C@H]1[NH+]1CCCC1 ZINC001307661934 1070108971 /nfs/dbraw/zinc/10/89/71/1070108971.db2.gz LDMVINKQZXOIKQ-OZOXKJRCSA-N 1 0 458.653 3.839 20 0 JHADRO C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1=O ZINC001312757656 1070106732 /nfs/dbraw/zinc/10/67/32/1070106732.db2.gz QKLFDLSZQWKUHS-MBSDFSHPSA-N 1 0 458.553 3.790 20 0 JHADRO CCOCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001314328261 1070116862 /nfs/dbraw/zinc/11/68/62/1070116862.db2.gz RSKXWPRZHSHOIL-AYOQOUSVSA-N 1 0 466.399 3.961 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001314330504 1070121517 /nfs/dbraw/zinc/12/15/17/1070121517.db2.gz AOSOEDGRBBOUGL-OAQYLSRUSA-N 1 0 474.694 3.744 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001314330563 1070122307 /nfs/dbraw/zinc/12/23/07/1070122307.db2.gz BVVKAUWQQXTKQF-UHFFFAOYSA-N 1 0 490.052 3.593 20 0 JHADRO C[C@H]([NH2+]CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)c1cc2ccccc2s1 ZINC001307690159 1070128089 /nfs/dbraw/zinc/12/80/89/1070128089.db2.gz QHWOILFANNUMLX-INIZCTEOSA-N 1 0 457.621 3.782 20 0 JHADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001312799000 1070128363 /nfs/dbraw/zinc/12/83/63/1070128363.db2.gz XCSKUJJWAMUYGZ-BRWVUGGUSA-N 1 0 452.562 3.842 20 0 JHADRO CSC1(CNC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CC[NH+](C)CC1 ZINC001312799884 1070129940 /nfs/dbraw/zinc/12/99/40/1070129940.db2.gz LWTIVUIHNUCRHV-KRWDZBQOSA-N 1 0 459.443 3.933 20 0 JHADRO C[NH+]1CCC(CNC(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)(c2ccccc2)CC1 ZINC001312802689 1070131536 /nfs/dbraw/zinc/13/15/36/1070131536.db2.gz YJUQIORHVQLVOT-OAQYLSRUSA-N 1 0 456.631 3.739 20 0 JHADRO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001307700170 1070134265 /nfs/dbraw/zinc/13/42/65/1070134265.db2.gz ZRPKSFLIGNDYCD-SJLPKXTDSA-N 1 0 453.530 3.893 20 0 JHADRO CC[N@H+](CCC1CCN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1)CC1CC1 ZINC001312810748 1070135603 /nfs/dbraw/zinc/13/56/03/1070135603.db2.gz OYCQMSHIJHEFQX-JXFKEZNVSA-N 1 0 453.674 3.899 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@@H](C)C1 ZINC001307707752 1070137756 /nfs/dbraw/zinc/13/77/56/1070137756.db2.gz KDERTWXGCCLIJD-UNMCSNQZSA-N 1 0 455.647 3.835 20 0 JHADRO CCOCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001314341061 1070140181 /nfs/dbraw/zinc/14/01/81/1070140181.db2.gz FKHXOEWVFCJGFJ-NBGIEHNGSA-N 1 0 459.635 3.796 20 0 JHADRO O=C(CC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1)N1CCc2sccc2C1 ZINC001307710015 1070138607 /nfs/dbraw/zinc/13/86/07/1070138607.db2.gz JUBYTOIADZKIHE-UHFFFAOYSA-N 1 0 454.514 3.905 20 0 JHADRO CCOCc1nnc(N2CC[C@H](CN(CC)CC(F)(F)F)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314340687 1070138542 /nfs/dbraw/zinc/13/85/42/1070138542.db2.gz CJSJFSVBXYXRDS-MOPGFXCFSA-N 1 0 474.616 3.646 20 0 JHADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)CC1 ZINC001307711388 1070139515 /nfs/dbraw/zinc/13/95/15/1070139515.db2.gz ZYXKSUJDTZCHBR-MRXNPFEDSA-N 1 0 456.612 3.854 20 0 JHADRO CCOc1cccc(N2CCN(C(=O)NC[C@H](c3ccc(CC(C)C)cc3)[NH+](C)C)CC2)n1 ZINC001312819057 1070140645 /nfs/dbraw/zinc/14/06/45/1070140645.db2.gz UKDFCHNPHCERLH-HSZRJFAPSA-N 1 0 453.631 3.813 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001314342174 1070142541 /nfs/dbraw/zinc/14/25/41/1070142541.db2.gz QCGCHPHVUBAJAA-ZJSXRUAMSA-N 1 0 455.647 3.978 20 0 JHADRO CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001312825082 1070143666 /nfs/dbraw/zinc/14/36/66/1070143666.db2.gz OFDWZZVTQVKXRP-NHCUHLMSSA-N 1 0 456.660 3.778 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCc1ccc(C)cc1C ZINC001314343176 1070145793 /nfs/dbraw/zinc/14/57/93/1070145793.db2.gz WNWLZEFQZHCNMX-ZRZAMGCNSA-N 1 0 469.674 4.000 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001314343986 1070147346 /nfs/dbraw/zinc/14/73/46/1070147346.db2.gz NPTDRQYPRJUTTO-VQTJNVASSA-N 1 0 464.655 3.525 20 0 JHADRO COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312838483 1070147937 /nfs/dbraw/zinc/14/79/37/1070147937.db2.gz FUZRVLHLAWNUQY-IQFVJIFQSA-N 1 0 453.558 3.825 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314345034 1070149911 /nfs/dbraw/zinc/14/99/11/1070149911.db2.gz FLHUYUQDGCYEDF-GHTZIAJQSA-N 1 0 490.624 3.608 20 0 JHADRO CCOCc1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001314345265 1070150338 /nfs/dbraw/zinc/15/03/38/1070150338.db2.gz HCSXIRFLIIJTJX-UHFFFAOYSA-N 1 0 455.647 3.512 20 0 JHADRO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001307732251 1070156102 /nfs/dbraw/zinc/15/61/02/1070156102.db2.gz BRKFCFBHVIZTON-FUPPJEDESA-N 1 0 457.615 3.938 20 0 JHADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001307739568 1070160385 /nfs/dbraw/zinc/16/03/85/1070160385.db2.gz CMADHYNKWDWDSY-ZDUSSCGKSA-N 1 0 458.531 3.797 20 0 JHADRO CCOCc1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001314348790 1070160670 /nfs/dbraw/zinc/16/06/70/1070160670.db2.gz HXVNOSBRRIWEKQ-CJFMBICVSA-N 1 0 459.610 3.564 20 0 JHADRO CCOCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314349176 1070162258 /nfs/dbraw/zinc/16/22/58/1070162258.db2.gz JMECCLCYUQHLQQ-OAQYLSRUSA-N 1 0 490.624 3.750 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001312881609 1070164708 /nfs/dbraw/zinc/16/47/08/1070164708.db2.gz RSAUJBUZLAQGEQ-DRLORSAXSA-N 1 0 456.631 3.987 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001312881612 1070164749 /nfs/dbraw/zinc/16/47/49/1070164749.db2.gz RSAUJBUZLAQGEQ-XLGIIRLISA-N 1 0 456.631 3.987 20 0 JHADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC001307759780 1070170805 /nfs/dbraw/zinc/17/08/05/1070170805.db2.gz ANLVGIOKQZLIIO-QGZVFWFLSA-N 1 0 454.596 3.962 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC001312886806 1070168040 /nfs/dbraw/zinc/16/80/40/1070168040.db2.gz UGAFOOUMGUQJGH-SSGKUCQKSA-N 1 0 457.640 3.883 20 0 JHADRO C[C@@H]1[C@H](NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)CCCN1C(=O)OC(C)(C)C ZINC001312893581 1070169580 /nfs/dbraw/zinc/16/95/80/1070169580.db2.gz CVPCDDLIMHZHDA-NVXWUHKLSA-N 1 0 450.546 3.833 20 0 JHADRO COCC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1cccc(C(F)(F)F)c1 ZINC001307769873 1070175990 /nfs/dbraw/zinc/17/59/90/1070175990.db2.gz KJDCUUMKDMILAJ-OAHLLOKOSA-N 1 0 455.502 3.660 20 0 JHADRO Cc1ccc([C@H](NC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)C2CC2)cc1 ZINC001307773336 1070177618 /nfs/dbraw/zinc/17/76/18/1070177618.db2.gz HXFZFPSQGWFXRC-VJTSUQJLSA-N 1 0 471.642 3.957 20 0 JHADRO CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307772795 1070177057 /nfs/dbraw/zinc/17/70/57/1070177057.db2.gz IKLDHQLLNNWNCK-MOPGFXCFSA-N 1 0 459.587 3.771 20 0 JHADRO CCOCc1nnc(N2CC[C@H](OCc3cccc(OC)c3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314353137 1070173102 /nfs/dbraw/zinc/17/31/02/1070173102.db2.gz VKDDIQDKFZQBGF-XZOQPEGZSA-N 1 0 471.646 3.739 20 0 JHADRO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC001307774214 1070178693 /nfs/dbraw/zinc/17/86/93/1070178693.db2.gz SOGNGNWAPBCGED-YPAWHYETSA-N 1 0 456.631 3.983 20 0 JHADRO CCOCc1nnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001314358845 1070181439 /nfs/dbraw/zinc/18/14/39/1070181439.db2.gz OPZAGSJINCCHDJ-CTNGQTDRSA-N 1 0 476.666 3.525 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](C[C@@H](O)c3cc(Br)no3)C2)C1 ZINC001307796316 1070185351 /nfs/dbraw/zinc/18/53/51/1070185351.db2.gz GFSMFONEWKZBMZ-HRCADAONSA-N 1 0 458.397 3.830 20 0 JHADRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001307799083 1070186165 /nfs/dbraw/zinc/18/61/65/1070186165.db2.gz KKLIJFDFWYFLNB-HFZDXXHNSA-N 1 0 458.599 3.609 20 0 JHADRO C[N@@H+]1CCC[C@]2(CCN(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)nc3)C2)C1 ZINC001307796451 1070186271 /nfs/dbraw/zinc/18/62/71/1070186271.db2.gz JZSVYWHHLXNWDC-QFIPXVFZSA-N 1 0 459.388 3.993 20 0 JHADRO C[C@@H]1CN(C(=O)CN(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001307796731 1070186308 /nfs/dbraw/zinc/18/63/08/1070186308.db2.gz QCTPUTRZFTWXRN-RCZVLFRGSA-N 1 0 450.627 3.574 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314363331 1070189624 /nfs/dbraw/zinc/18/96/24/1070189624.db2.gz DCLRZNIELWFBGT-RTWAWAEBSA-N 1 0 478.682 3.676 20 0 JHADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)N3C[C@H](c4ccccc4)[C@](F)(CO)C3)ccc2c1 ZINC001307804481 1070190449 /nfs/dbraw/zinc/19/04/49/1070190449.db2.gz IZPQAAHPGUXSFP-DNKZPPIMSA-N 1 0 450.554 3.995 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001314363864 1070191174 /nfs/dbraw/zinc/19/11/74/1070191174.db2.gz DTIHAZFSZDSHNI-SFTDATJTSA-N 1 0 478.682 3.676 20 0 JHADRO CC1CCN(Cc2csc(NC(=O)CN3CCC[C@@](CO)(Cc4ccccc4)C3)n2)CC1 ZINC001307805102 1070191528 /nfs/dbraw/zinc/19/15/28/1070191528.db2.gz TYASYPSSIBQXLP-RUZDIDTESA-N 1 0 456.656 3.631 20 0 JHADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001307814149 1070195934 /nfs/dbraw/zinc/19/59/34/1070195934.db2.gz UMAXXZRROWUITE-HSZRJFAPSA-N 1 0 453.583 3.648 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC[C@H](OC)C(F)(F)F ZINC001314365961 1070196572 /nfs/dbraw/zinc/19/65/72/1070196572.db2.gz NIWYCIVCJMIBIU-OALUTQOASA-N 1 0 461.573 3.730 20 0 JHADRO OCC1([NH2+]CC2CC2)CCN(Cc2cccc(OCC(F)(F)F)c2Br)CC1 ZINC001307827845 1070202508 /nfs/dbraw/zinc/20/25/08/1070202508.db2.gz VOCBLQXCFOYPEB-UHFFFAOYSA-N 1 0 451.327 3.717 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](c3nc(C)c(C)s3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314368015 1070202611 /nfs/dbraw/zinc/20/26/11/1070202611.db2.gz RYCYWHNEACOAGY-GCJKJVERSA-N 1 0 464.705 3.709 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CCOc1cccc(S(C)(=O)=O)c1)CC2 ZINC001307826867 1070202757 /nfs/dbraw/zinc/20/27/57/1070202757.db2.gz MAYJNXDCWUKMRQ-UHFFFAOYSA-N 1 0 452.617 3.582 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CCCN1CCCCCC1=O ZINC001314368974 1070204322 /nfs/dbraw/zinc/20/43/22/1070204322.db2.gz XZBALWCPHOMINQ-QHCPKHFHSA-N 1 0 474.694 3.556 20 0 JHADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)N1CC(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001312991854 1070214276 /nfs/dbraw/zinc/21/42/76/1070214276.db2.gz QHTNYVLJJWRMQZ-UHFFFAOYSA-N 1 0 455.521 3.660 20 0 JHADRO COc1cc(NC(=O)CC[NH2+]C2(CC(=O)OC(C)(C)C)CCOCC2)c(OC)cc1Cl 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1 0 450.626 3.759 20 0 JHADRO O=C1[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCN1CCCc1ccccc1 ZINC001308302759 1070354517 /nfs/dbraw/zinc/35/45/17/1070354517.db2.gz HUJRVNZCPPEOAW-HXUWFJFHSA-N 1 0 459.384 3.934 20 0 JHADRO C[NH+]1CCN(c2ccc(CCNC(=O)N3CC[C@H]3c3ccc(Br)cc3)cc2)CC1 ZINC001313434955 1070359346 /nfs/dbraw/zinc/35/93/46/1070359346.db2.gz ZGUKXMDQMIYDLQ-QFIPXVFZSA-N 1 0 457.416 3.900 20 0 JHADRO CC[NH+](CC)CC[C@@H](C)NC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313433390 1070358488 /nfs/dbraw/zinc/35/84/88/1070358488.db2.gz QFDYPXPAMJPOEU-BVYCBKJFSA-N 1 0 462.635 3.818 20 0 JHADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)c1 ZINC001313433510 1070358976 /nfs/dbraw/zinc/35/89/76/1070358976.db2.gz MBONYZDIKZWGCE-UHFFFAOYSA-N 1 0 457.518 3.562 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCCC1 ZINC001313446358 1070362384 /nfs/dbraw/zinc/36/23/84/1070362384.db2.gz BKXJVZRMKQDNBD-NRFANRHFSA-N 1 0 459.660 3.849 20 0 JHADRO COc1cc(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc2c1OCCO2 ZINC001308346421 1070359923 /nfs/dbraw/zinc/35/99/23/1070359923.db2.gz HLSQYENGXCFBTD-SFHVURJKSA-N 1 0 450.457 3.766 20 0 JHADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC001308349778 1070360444 /nfs/dbraw/zinc/36/04/44/1070360444.db2.gz HYZZTSXMBRBNSL-YJBOKZPZSA-N 1 0 455.393 3.518 20 0 JHADRO O=C1c2ccccc2C(=O)N1Cc1n[nH]cc1C[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC001308352709 1070361063 /nfs/dbraw/zinc/36/10/63/1070361063.db2.gz CPUUHFMHAZFBBY-UHFFFAOYSA-N 1 0 459.333 3.819 20 0 JHADRO COc1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc(Br)c1OC(F)F ZINC001308384194 1070365380 /nfs/dbraw/zinc/36/53/80/1070365380.db2.gz FOZCTGZIWXRXGF-DYVFJYSZSA-N 1 0 450.320 3.716 20 0 JHADRO CCOCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001314460237 1070366284 /nfs/dbraw/zinc/36/62/84/1070366284.db2.gz CYACNIKTMZXGEQ-VQTJNVASSA-N 1 0 478.682 3.738 20 0 JHADRO CC(C)[C@H]([NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001308391236 1070366262 /nfs/dbraw/zinc/36/62/62/1070366262.db2.gz WCWYEFKIEHNDBV-FQEVSTJZSA-N 1 0 459.019 3.774 20 0 JHADRO O=C([C@H](C[NH2+]Cc1ccc(-c2ccncc2)cc1F)Cc1cccc(F)c1)N1CCOCC1 ZINC001308394340 1070367832 /nfs/dbraw/zinc/36/78/32/1070367832.db2.gz LQDZZRUOEUKLLZ-QHCPKHFHSA-N 1 0 451.517 3.834 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001313447901 1070368100 /nfs/dbraw/zinc/36/81/00/1070368100.db2.gz LZZQJGBFOQJGCY-JTHBVZDNSA-N 1 0 473.687 3.708 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313448517 1070371457 /nfs/dbraw/zinc/37/14/57/1070371457.db2.gz JZNOSVXJGJYXNI-JTOYRKQZSA-N 1 0 488.721 3.766 20 0 JHADRO CN(CCC(F)(F)F)[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)s1)c1ccc(Cl)cc1 ZINC001308405790 1070371621 /nfs/dbraw/zinc/37/16/21/1070371621.db2.gz ZCRCTXOJIWYELP-OAHLLOKOSA-N 1 0 455.955 3.764 20 0 JHADRO COCCOC1(C[NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CCOCC1 ZINC001308410960 1070372626 /nfs/dbraw/zinc/37/26/26/1070372626.db2.gz XPXDCZTVUDNNCX-UHFFFAOYSA-N 1 0 452.393 3.553 20 0 JHADRO COc1cc(C[NH2+]C2(Cc3ccccc3Br)CC2)cc(Cl)c1OCC(N)=O ZINC001308416344 1070372983 /nfs/dbraw/zinc/37/29/83/1070372983.db2.gz DTLCJUCCTKMKHK-UHFFFAOYSA-N 1 0 453.764 3.840 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnn(C)c1C ZINC001313449494 1070375070 /nfs/dbraw/zinc/37/50/70/1070375070.db2.gz XBWPBELKEKZLSY-IBGZPJMESA-N 1 0 489.466 3.599 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001313450230 1070376062 /nfs/dbraw/zinc/37/60/62/1070376062.db2.gz VMNSJUWHJFJWHQ-OPYAIIAOSA-N 1 0 459.038 3.828 20 0 JHADRO CCOCCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001314466757 1070377817 /nfs/dbraw/zinc/37/78/17/1070377817.db2.gz MIBWBYCFOMRAAM-UHFFFAOYSA-N 1 0 456.635 3.884 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C2CC2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001313451505 1070380347 /nfs/dbraw/zinc/38/03/47/1070380347.db2.gz ZOQLDEDMGGYXTO-INIZCTEOSA-N 1 0 468.465 3.853 20 0 JHADRO COc1cc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)c(Br)cc1O ZINC001308455285 1070378130 /nfs/dbraw/zinc/37/81/30/1070378130.db2.gz GSZWEKVJLKISDY-UHFFFAOYSA-N 1 0 454.796 3.858 20 0 JHADRO CCCN1CCCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCC[N@@H+]2CCC)CC1=O ZINC001313450744 1070378452 /nfs/dbraw/zinc/37/84/52/1070378452.db2.gz ZPXJQIAUQYIFNX-OAQYLSRUSA-N 1 0 486.636 3.709 20 0 JHADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1)CC(F)(F)F ZINC001308463798 1070378628 /nfs/dbraw/zinc/37/86/28/1070378628.db2.gz COHXJPZIEKALLP-RDJZCZTQSA-N 1 0 451.917 3.981 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001313451323 1070379409 /nfs/dbraw/zinc/37/94/09/1070379409.db2.gz XLOKALSSQUDDBM-IBGZPJMESA-N 1 0 455.994 3.778 20 0 JHADRO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cc(I)c1OC ZINC001308479218 1070379891 /nfs/dbraw/zinc/37/98/91/1070379891.db2.gz GVZWVSNFMALXCD-LJQANCHMSA-N 1 0 459.299 3.531 20 0 JHADRO COc1cc(Br)c(C[NH2+]C[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c(OC)c1 ZINC001308514240 1070384267 /nfs/dbraw/zinc/38/42/67/1070384267.db2.gz OVEXKTKVQRYCAA-HXUWFJFHSA-N 1 0 459.381 3.582 20 0 JHADRO COc1cc(Br)c(C[NH2+]C[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c(OC)c1 ZINC001308514239 1070384439 /nfs/dbraw/zinc/38/44/39/1070384439.db2.gz OVEXKTKVQRYCAA-FQEVSTJZSA-N 1 0 459.381 3.582 20 0 JHADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC[NH2+]Cc2ccc(SC(F)F)cc2)C1 ZINC001308518583 1070384840 /nfs/dbraw/zinc/38/48/40/1070384840.db2.gz GCPNLBRPKTWNEF-INIZCTEOSA-N 1 0 450.573 3.515 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1ncc(Cl)n1C ZINC001313453453 1070385896 /nfs/dbraw/zinc/38/58/96/1070385896.db2.gz VTAHYCJPBKRRDF-IBGZPJMESA-N 1 0 472.037 3.775 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313453537 1070386166 /nfs/dbraw/zinc/38/61/66/1070386166.db2.gz YLCNZALJRLYYGY-UPVQGACJSA-N 1 0 466.674 3.745 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313453423 1070386303 /nfs/dbraw/zinc/38/63/03/1070386303.db2.gz SDLINVMTQSMGAQ-ICSRJNTNSA-N 1 0 491.036 3.662 20 0 JHADRO CCOCCN(CC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314477091 1070387271 /nfs/dbraw/zinc/38/72/71/1070387271.db2.gz ZZEHLLMYMXVELQ-MOPGFXCFSA-N 1 0 467.618 3.577 20 0 JHADRO CCOCCN(CC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314477092 1070387307 /nfs/dbraw/zinc/38/73/07/1070387307.db2.gz ZZEHLLMYMXVELQ-OALUTQOASA-N 1 0 467.618 3.577 20 0 JHADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001308586345 1070395680 /nfs/dbraw/zinc/39/56/80/1070395680.db2.gz IBBQCHDJXOFPRH-UHFFFAOYSA-N 1 0 459.310 3.834 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[C@H](C)C3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313455919 1070394445 /nfs/dbraw/zinc/39/44/45/1070394445.db2.gz QAABCBATHHZOEF-RBUKOAKNSA-N 1 0 451.619 3.642 20 0 JHADRO C[C@H]1C[C@@H](C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001308586585 1070395329 /nfs/dbraw/zinc/39/53/29/1070395329.db2.gz OEXGLAYDSULQQM-PMACEKPBSA-N 1 0 454.656 3.507 20 0 JHADRO CCCn1nc(-c2nnc(N3C[C@@H](C)O[C@@H](CC)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313456440 1070396239 /nfs/dbraw/zinc/39/62/39/1070396239.db2.gz XHHVOLKWOLJGLM-RTWAWAEBSA-N 1 0 495.672 3.799 20 0 JHADRO CCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001314489952 1070400662 /nfs/dbraw/zinc/40/06/62/1070400662.db2.gz FGPYHTSYUUPXJY-ZRZAMGCNSA-N 1 0 485.673 3.836 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001313457317 1070398667 /nfs/dbraw/zinc/39/86/67/1070398667.db2.gz CKIUXMZLAMNSLU-RBBKRZOGSA-N 1 0 498.672 3.579 20 0 JHADRO CCCn1nc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001313457975 1070400858 /nfs/dbraw/zinc/40/08/58/1070400858.db2.gz BKJSXFLSDQRJQV-QFIPXVFZSA-N 1 0 495.672 3.514 20 0 JHADRO CCOCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001314490861 1070403059 /nfs/dbraw/zinc/40/30/59/1070403059.db2.gz DXCRDESHHOIUML-QFIPXVFZSA-N 1 0 454.663 3.552 20 0 JHADRO COc1sc(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)cc1Br ZINC001308625352 1070405065 /nfs/dbraw/zinc/40/50/65/1070405065.db2.gz ZNQCCLPGYREKPI-UHFFFAOYSA-N 1 0 454.434 3.782 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC(O)(CC)CC)c2ccccc2c1=O ZINC001313459341 1070406574 /nfs/dbraw/zinc/40/65/74/1070406574.db2.gz JUZPNKGNIYETCG-UHFFFAOYSA-N 1 0 495.672 3.537 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CCN(CC)C(=O)OC(C)(C)C)C[C@H]1CC ZINC001314494393 1070409842 /nfs/dbraw/zinc/40/98/42/1070409842.db2.gz QNWDMONBNYDLSC-HXUWFJFHSA-N 1 0 480.698 3.770 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(C(F)(F)F)c2)C[C@H]1CC ZINC001314493283 1070406822 /nfs/dbraw/zinc/40/68/22/1070406822.db2.gz GGMPWNMAUJNQPY-GOSISDBHSA-N 1 0 468.568 3.975 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCn3cc(C)nc32)C[C@@H]1CC ZINC001314494948 1070411869 /nfs/dbraw/zinc/41/18/69/1070411869.db2.gz UQCYXEYUVADOMY-RTWAWAEBSA-N 1 0 457.667 3.595 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H](C)CC)n2Cc2nnc(C(C)(C)C)s2)C[C@H]1CC ZINC001314493794 1070408389 /nfs/dbraw/zinc/40/83/89/1070408389.db2.gz KVYUAPHPZXVGCU-QZTJIDSGSA-N 1 0 463.696 3.926 20 0 JHADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001308642014 1070409125 /nfs/dbraw/zinc/40/91/25/1070409125.db2.gz MFARLKYRCZMLBX-WMLDXEAASA-N 1 0 454.327 3.685 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)c(Cl)c2)C[C@@H]1CC ZINC001314495279 1070412928 /nfs/dbraw/zinc/41/29/28/1070412928.db2.gz GJIWIVJEVQRFIE-NRFANRHFSA-N 1 0 485.032 3.988 20 0 JHADRO Cc1cc(N2CC[C@@H]([NH2+]Cc3ncc(Br)cc3O)C2=O)ccc1Br ZINC001308667761 1070414045 /nfs/dbraw/zinc/41/40/45/1070414045.db2.gz KZHLLNFKYCXCJL-CQSZACIVSA-N 1 0 455.150 3.516 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H]1CC ZINC001314495629 1070414422 /nfs/dbraw/zinc/41/44/22/1070414422.db2.gz JKTARNMTVWDODW-GBESFXJTSA-N 1 0 481.567 3.966 20 0 JHADRO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001308681445 1070416610 /nfs/dbraw/zinc/41/66/10/1070416610.db2.gz AELVWKCXEIGRAD-FXAWDEMLSA-N 1 0 454.571 3.858 20 0 JHADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)COC1(C)C ZINC001308685484 1070418460 /nfs/dbraw/zinc/41/84/60/1070418460.db2.gz JZUHIFCDRQXCKG-SJLPKXTDSA-N 1 0 457.409 3.562 20 0 JHADRO CCOCCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001314496917 1070418871 /nfs/dbraw/zinc/41/88/71/1070418871.db2.gz NUFJYGSWOAKZPA-OAQYLSRUSA-N 1 0 475.081 3.877 20 0 JHADRO CCOCCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001314496781 1070418908 /nfs/dbraw/zinc/41/89/08/1070418908.db2.gz UNOKCGBHCAVROY-VXKWHMMOSA-N 1 0 483.705 3.564 20 0 JHADRO CCOC(=O)Cn1cc(C[NH2+]CC2(c3cccc(F)c3F)CCCC2)c(-c2cnn(C)c2)n1 ZINC001308690177 1070419454 /nfs/dbraw/zinc/41/94/54/1070419454.db2.gz PMYUOEXBRSOGKQ-UHFFFAOYSA-N 1 0 457.525 3.727 20 0 JHADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC001308707912 1070422810 /nfs/dbraw/zinc/42/28/10/1070422810.db2.gz REABRVWYRKDXSL-UFYCRDLUSA-N 1 0 454.592 3.744 20 0 JHADRO COc1cccc2c1CC[C@@H]([NH2+]C[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)C2 ZINC001308716187 1070424315 /nfs/dbraw/zinc/42/43/15/1070424315.db2.gz MEVLYOLUGJJYEL-XLIONFOSSA-N 1 0 457.537 3.626 20 0 JHADRO COc1cccc2c1CC[C@@H]([NH2+]C[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)C2 ZINC001308716189 1070424365 /nfs/dbraw/zinc/42/43/65/1070424365.db2.gz MEVLYOLUGJJYEL-YLJYHZDGSA-N 1 0 457.537 3.626 20 0 JHADRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC001308735152 1070428303 /nfs/dbraw/zinc/42/83/03/1070428303.db2.gz MCFFFAIPTIHFRO-WIYYLYMNSA-N 1 0 451.537 3.837 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CCC3)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1CC ZINC001314498622 1070424801 /nfs/dbraw/zinc/42/48/01/1070424801.db2.gz IZSYNKWNHSUOBO-OAQYLSRUSA-N 1 0 486.627 3.757 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(O)c2)C[C@H]1CC ZINC001314498826 1070425514 /nfs/dbraw/zinc/42/55/14/1070425514.db2.gz RSEFEZBVDXWDLO-OAQYLSRUSA-N 1 0 455.628 3.621 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(O)cc2)C[C@@H]1CC ZINC001314498831 1070425743 /nfs/dbraw/zinc/42/57/43/1070425743.db2.gz RXOZLQKMVOFWCZ-NRFANRHFSA-N 1 0 455.628 3.621 20 0 JHADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)s1 ZINC001308749518 1070430143 /nfs/dbraw/zinc/43/01/43/1070430143.db2.gz CHNBEVPANSBGGH-KFWWJZLASA-N 1 0 452.024 3.744 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001313464933 1070430443 /nfs/dbraw/zinc/43/04/43/1070430443.db2.gz LFCYZXWMHCVOFB-UYAOXDASSA-N 1 0 460.692 3.974 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cccc(F)c2)C[C@H]1CC ZINC001314500460 1070431493 /nfs/dbraw/zinc/43/14/93/1070431493.db2.gz VWIWFLVTCQFSCY-HSZRJFAPSA-N 1 0 466.605 3.967 20 0 JHADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CCn1cc(Br)cn1 ZINC001308755541 1070431866 /nfs/dbraw/zinc/43/18/66/1070431866.db2.gz UCIICJZDZJDWRD-NSHDSACASA-N 1 0 457.394 3.508 20 0 JHADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001308783138 1070438062 /nfs/dbraw/zinc/43/80/62/1070438062.db2.gz SEBPIYVQNJJFCZ-FVJLSDCUSA-N 1 0 457.546 3.902 20 0 JHADRO OC[C@@H](C[NH2+]Cc1cc(Br)cnc1F)Cc1cc(Br)ccc1F ZINC001308770773 1070435167 /nfs/dbraw/zinc/43/51/67/1070435167.db2.gz VPAZLAQQNVKHGL-SNVBAGLBSA-N 1 0 450.121 3.826 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCC(F)(F)C2)C[C@@H]1CC ZINC001314501903 1070435300 /nfs/dbraw/zinc/43/53/00/1070435300.db2.gz SUCMBBSBSQPOBD-HBMCJLEFSA-N 1 0 469.621 3.935 20 0 JHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC001308775988 1070436585 /nfs/dbraw/zinc/43/65/85/1070436585.db2.gz CIVJWVOUKWLERE-YCRNBWNJSA-N 1 0 453.539 3.720 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001313466174 1070437141 /nfs/dbraw/zinc/43/71/41/1070437141.db2.gz KVCXUVMYMDNBKS-MOPGFXCFSA-N 1 0 459.038 3.825 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001313466176 1070437224 /nfs/dbraw/zinc/43/72/24/1070437224.db2.gz KVCXUVMYMDNBKS-RBUKOAKNSA-N 1 0 459.038 3.825 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314503536 1070440060 /nfs/dbraw/zinc/44/00/60/1070440060.db2.gz QJVHDODSUOUZAJ-HBMCJLEFSA-N 1 0 458.651 3.662 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001314504181 1070443278 /nfs/dbraw/zinc/44/32/78/1070443278.db2.gz BZYBSVPNWAOPJB-UHFFFAOYSA-N 1 0 489.686 3.622 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(Cl)s2)C[C@@H]1CC ZINC001314503832 1070441285 /nfs/dbraw/zinc/44/12/85/1070441285.db2.gz VVQQXBNKSKJUNL-FUHWJXTLSA-N 1 0 454.040 3.830 20 0 JHADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001308842717 1070446764 /nfs/dbraw/zinc/44/67/64/1070446764.db2.gz DGYNTINFDPOHLY-WTOYTKOKSA-N 1 0 458.599 3.727 20 0 JHADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC(=O)N(CC)C1 ZINC001308844933 1070447577 /nfs/dbraw/zinc/44/75/77/1070447577.db2.gz CHHOKBBSFLIRSW-IRXDYDNUSA-N 1 0 457.596 3.767 20 0 JHADRO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC001308848997 1070448375 /nfs/dbraw/zinc/44/83/75/1070448375.db2.gz KVSWFJFLSKPKFN-WOJBJXKFSA-N 1 0 454.571 3.975 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC3CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001308851765 1070448386 /nfs/dbraw/zinc/44/83/86/1070448386.db2.gz MJRYHFNWGJXMSZ-ZCNNSNEGSA-N 1 0 453.624 3.638 20 0 JHADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[N@@H+]3C[C@H]4COC[C@@]4(C(=O)OC(C)(C)C)C3)o2)C1 ZINC001308858152 1070450109 /nfs/dbraw/zinc/45/01/09/1070450109.db2.gz AKQZGDWNCFMWAI-MVYHEMRASA-N 1 0 476.614 3.628 20 0 JHADRO COC(=O)[C@@H]1[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)C1(F)F ZINC001308861375 1070450718 /nfs/dbraw/zinc/45/07/18/1070450718.db2.gz XWTOWRCTPPLBRT-MRHSLFKSSA-N 1 0 472.504 3.571 20 0 JHADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c(Br)c1 ZINC001308862198 1070450726 /nfs/dbraw/zinc/45/07/26/1070450726.db2.gz AADMDNWRMYQYOD-GOSISDBHSA-N 1 0 453.764 3.884 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](CC)C2CC2)CC1 ZINC001313471104 1070459203 /nfs/dbraw/zinc/45/92/03/1070459203.db2.gz BAZLSUCMCHTCDM-UHFFFAOYSA-N 1 0 477.028 3.965 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001313471396 1070462271 /nfs/dbraw/zinc/46/22/71/1070462271.db2.gz JUPVGSZASVGZHU-LJQANCHMSA-N 1 0 488.080 3.857 20 0 JHADRO COCCc1ccc(OC[C@@H](C)[NH2+][C@H](CO)c2ccccc2I)cc1 ZINC001308972681 1070468621 /nfs/dbraw/zinc/46/86/21/1070468621.db2.gz QUTOHAAHDZMHET-FOIQADDNSA-N 1 0 455.336 3.571 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+][C@@H]3CCN(c4cn[nH]c(=O)c4Cl)C3)CC[C@@H]21 ZINC001308973050 1070469496 /nfs/dbraw/zinc/46/94/96/1070469496.db2.gz UXXDRTFGQDFDHG-VQHPVUNQSA-N 1 0 451.999 3.572 20 0 JHADRO C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001308988544 1070471532 /nfs/dbraw/zinc/47/15/32/1070471532.db2.gz VRBGKAPDPNWIFJ-LWYYNNOASA-N 1 0 455.640 3.762 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313474872 1070473215 /nfs/dbraw/zinc/47/32/15/1070473215.db2.gz MHWLKKUWRGRBBW-LEWJYISDSA-N 1 0 484.664 3.871 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001314513367 1070478780 /nfs/dbraw/zinc/47/87/80/1070478780.db2.gz BNSTZBXNBXTTRY-HXUWFJFHSA-N 1 0 499.791 3.878 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[NH+]1CCC(C)CC1 ZINC001314512845 1070476709 /nfs/dbraw/zinc/47/67/09/1070476709.db2.gz MCYFIYFCWGXOJL-GOSISDBHSA-N 1 0 498.093 3.598 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@H+](C)C(C)C ZINC001314513795 1070480713 /nfs/dbraw/zinc/48/07/13/1070480713.db2.gz VIBWMTZFMWBCQJ-MSOLQXFVSA-N 1 0 481.732 3.731 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001313476983 1070483183 /nfs/dbraw/zinc/48/31/83/1070483183.db2.gz MJKFXLNEWBQYBF-IBGZPJMESA-N 1 0 489.064 3.595 20 0 JHADRO CCCNC(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313477212 1070484002 /nfs/dbraw/zinc/48/40/02/1070484002.db2.gz LMJOZMZUCHSMLQ-GOSISDBHSA-N 1 0 458.676 3.578 20 0 JHADRO CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313479913 1070492378 /nfs/dbraw/zinc/49/23/78/1070492378.db2.gz ZZQRJUOHGSHMIA-FQEVSTJZSA-N 1 0 455.651 3.670 20 0 JHADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cc(Br)cc(OC)c1)Cc1ccccc1 ZINC001309030507 1070496063 /nfs/dbraw/zinc/49/60/63/1070496063.db2.gz CXOCAXKBXQHHJQ-SFHVURJKSA-N 1 0 455.418 3.689 20 0 JHADRO CCCNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001313482639 1070496217 /nfs/dbraw/zinc/49/62/17/1070496217.db2.gz YVHJJFKSRIXYIB-JOCHJYFZSA-N 1 0 460.667 3.528 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001314523538 1070514407 /nfs/dbraw/zinc/51/44/07/1070514407.db2.gz XORFYDQZTJYCLD-SFHVURJKSA-N 1 0 498.093 3.598 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314523581 1070514471 /nfs/dbraw/zinc/51/44/71/1070514471.db2.gz YZOPNMQMMCGJLZ-IAGOWNOFSA-N 1 0 486.057 3.729 20 0 JHADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001309060997 1070515244 /nfs/dbraw/zinc/51/52/44/1070515244.db2.gz DOPWQRRCOPDSIF-WFKXUCKUSA-N 1 0 456.608 3.829 20 0 JHADRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cc4cc(Cl)ccc4s3)cn2)CC1 ZINC001309065854 1070519388 /nfs/dbraw/zinc/51/93/88/1070519388.db2.gz GVQVTCJEVSAQAV-UHFFFAOYSA-N 1 0 451.017 3.570 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(CC2CCCC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001314528578 1070521431 /nfs/dbraw/zinc/52/14/31/1070521431.db2.gz KXUDIZFWLGUYPI-UHFFFAOYSA-N 1 0 497.775 3.633 20 0 JHADRO CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001314533594 1070528235 /nfs/dbraw/zinc/52/82/35/1070528235.db2.gz LWUWEBTYPGJLQB-IFMALSPDSA-N 1 0 491.677 3.534 20 0 JHADRO CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001314533553 1070528366 /nfs/dbraw/zinc/52/83/66/1070528366.db2.gz CSWINPSHGOYALN-UHFFFAOYSA-N 1 0 486.107 3.579 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CC(C)(C)C(=O)NCC)cc1OC ZINC001313502019 1070527507 /nfs/dbraw/zinc/52/75/07/1070527507.db2.gz IKBMCBLRAYIFNO-TZIWHRDSSA-N 1 0 498.672 3.578 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CCc2ccn(C)n2)cc1OC ZINC001313502549 1070529134 /nfs/dbraw/zinc/52/91/34/1070529134.db2.gz MBYTTXRAHCEYEP-PMACEKPBSA-N 1 0 481.645 3.638 20 0 JHADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)Cc2cccc(C(N)=O)c2)cc1 ZINC001309089720 1070532948 /nfs/dbraw/zinc/53/29/48/1070532948.db2.gz OGUMONKOOMUAHW-IZZNHLLZSA-N 1 0 477.630 3.524 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001309091055 1070534198 /nfs/dbraw/zinc/53/41/98/1070534198.db2.gz QCTRCASEGNYNHV-VQTJNVASSA-N 1 0 455.393 3.838 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001313504293 1070537932 /nfs/dbraw/zinc/53/79/32/1070537932.db2.gz FOSSWBHPDDRDNS-NRFANRHFSA-N 1 0 498.672 3.533 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001313506868 1070550514 /nfs/dbraw/zinc/55/05/14/1070550514.db2.gz UAHAEEJXQYZQSX-UNMCSNQZSA-N 1 0 498.672 3.565 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCOCC3)n2C[C@H]2CCCC[N@@H+]2CC)cc1OC ZINC001313506490 1070548761 /nfs/dbraw/zinc/54/87/61/1070548761.db2.gz QVBGNVPVKGIQRT-OAQYLSRUSA-N 1 0 457.619 3.844 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NS(=O)(=O)CCc2cccc(Cl)c2)CC1 ZINC001309116386 1070548791 /nfs/dbraw/zinc/54/87/91/1070548791.db2.gz WSSLCIPUBYJIEK-QGZVFWFLSA-N 1 0 454.011 3.844 20 0 JHADRO CC[S@](=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001314560954 1070562248 /nfs/dbraw/zinc/56/22/48/1070562248.db2.gz VGRFHVHBENKNJY-CCKSIXTGSA-N 1 0 480.078 3.905 20 0 JHADRO CC[S@@](=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001314562993 1070564955 /nfs/dbraw/zinc/56/49/55/1070564955.db2.gz GAIHEWTZKXSCNP-GDLZYMKVSA-N 1 0 482.492 3.705 20 0 JHADRO CCCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1OC ZINC001313512956 1070565467 /nfs/dbraw/zinc/56/54/67/1070565467.db2.gz ZUMKDZXAWKOSIB-YADHBBJMSA-N 1 0 495.672 3.904 20 0 JHADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1Cl ZINC001309152871 1070571520 /nfs/dbraw/zinc/57/15/20/1070571520.db2.gz ACZKOIPPFPTWBZ-UHFFFAOYSA-N 1 0 453.432 3.760 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[NH+]2CCCC2)cc1OC ZINC001313513511 1070568265 /nfs/dbraw/zinc/56/82/65/1070568265.db2.gz LCYQOEQCIGQSAF-BGYRXZFFSA-N 1 0 457.619 3.842 20 0 JHADRO CC[S@](=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001314565357 1070570044 /nfs/dbraw/zinc/57/00/44/1070570044.db2.gz QDTRGZIUQBHFEG-ZQHDKMAOSA-N 1 0 494.503 3.787 20 0 JHADRO CCCOc1cccc(CCn2c(N3CC[C@H](N4CC[NH+](CC)CC4)C3)nnc2C(C)(C)C)c1 ZINC001313516551 1070576874 /nfs/dbraw/zinc/57/68/74/1070576874.db2.gz TZRXYTMGQKLGQL-QHCPKHFHSA-N 1 0 468.690 3.823 20 0 JHADRO CC[S@](=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001314577239 1070585943 /nfs/dbraw/zinc/58/59/43/1070585943.db2.gz KNCZAYWAJYBZJQ-JXNPFXPLSA-N 1 0 487.714 3.594 20 0 JHADRO CC[S@@](=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001314577553 1070587136 /nfs/dbraw/zinc/58/71/36/1070587136.db2.gz JTTUSPIREQMRDT-MJQZRFMNSA-N 1 0 473.687 3.635 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001313522954 1070593370 /nfs/dbraw/zinc/59/33/70/1070593370.db2.gz LKUICDYBTSTDBQ-DEOSSOPVSA-N 1 0 484.689 3.939 20 0 JHADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)C1 ZINC001309192670 1070595898 /nfs/dbraw/zinc/59/58/98/1070595898.db2.gz FOUMEERTERMSAD-JKSUJKDBSA-N 1 0 459.439 3.874 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001313525061 1070597861 /nfs/dbraw/zinc/59/78/61/1070597861.db2.gz YVIREWWINUSWRI-GOTSBHOMSA-N 1 0 474.694 3.697 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc([C@H]3CCCCO3)n2CC2([NH+](C)C)CCC2)n1 ZINC001314584517 1070602384 /nfs/dbraw/zinc/60/23/84/1070602384.db2.gz UQQNFJQERISCQA-IAGOWNOFSA-N 1 0 463.652 3.838 20 0 JHADRO CCSc1cc(Cn2c(CC(C)C)nnc2N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccn1 ZINC001314586154 1070607440 /nfs/dbraw/zinc/60/74/40/1070607440.db2.gz PDMSEBNAIKPRRX-JOCHJYFZSA-N 1 0 471.719 3.637 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001314587692 1070611537 /nfs/dbraw/zinc/61/15/37/1070611537.db2.gz DXZFJBYDCQHTEP-VAMGGRTRSA-N 1 0 450.697 3.649 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001314590001 1070617752 /nfs/dbraw/zinc/61/77/52/1070617752.db2.gz UZYDDIZYXRIAKD-LSTHTHJFSA-N 1 0 479.094 3.922 20 0 JHADRO CCCOCc1ccccc1Cn1c(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)nnc1C(C)(C)C ZINC001313532578 1070618837 /nfs/dbraw/zinc/61/88/37/1070618837.db2.gz GINYVOFUVAAQBL-XMMPIXPASA-N 1 0 468.690 3.767 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(Cc3ccccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001314595204 1070635061 /nfs/dbraw/zinc/63/50/61/1070635061.db2.gz LYCUBGAZRKGZAB-MDNUFGMLSA-N 1 0 472.703 3.875 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001313543628 1070641844 /nfs/dbraw/zinc/64/18/44/1070641844.db2.gz ISLWYTJQVDUOBR-NHCUHLMSSA-N 1 0 476.666 3.696 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001313545459 1070650914 /nfs/dbraw/zinc/65/09/14/1070650914.db2.gz KJQLTURWEVWUOH-HBMCJLEFSA-N 1 0 490.693 3.738 20 0 JHADRO Cc1nn(-c2ccccc2)c2ncc(S(=O)(=O)N(CC[NH+](C)C)Cc3cccs3)cc12 ZINC001309272847 1070660474 /nfs/dbraw/zinc/66/04/74/1070660474.db2.gz POTPLZFSAMMZEB-UHFFFAOYSA-N 1 0 455.609 3.543 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001314604776 1070661180 /nfs/dbraw/zinc/66/11/80/1070661180.db2.gz SCVNVVGVGSOVIX-HSZRJFAPSA-N 1 0 487.714 3.836 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001313549750 1070665598 /nfs/dbraw/zinc/66/55/98/1070665598.db2.gz ICGWTYUEXQEQFT-UHFFFAOYSA-N 1 0 477.028 3.918 20 0 JHADRO CCN(C)C(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313558109 1070675762 /nfs/dbraw/zinc/67/57/62/1070675762.db2.gz NXKVCDGPEZPHMJ-UHFFFAOYSA-N 1 0 470.662 3.553 20 0 JHADRO CCSCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001314611944 1070676913 /nfs/dbraw/zinc/67/69/13/1070676913.db2.gz YYGSBGDKUHSHNW-HXUWFJFHSA-N 1 0 459.660 3.646 20 0 JHADRO COc1ccc(S(=O)(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c2ccccc12 ZINC001309294810 1070677299 /nfs/dbraw/zinc/67/72/99/1070677299.db2.gz NHICZEWCMPNQIJ-UHFFFAOYSA-N 1 0 458.555 3.809 20 0 JHADRO CCSCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001314612250 1070677567 /nfs/dbraw/zinc/67/75/67/1070677567.db2.gz QOTRYFWETYWNLL-NRFANRHFSA-N 1 0 462.708 3.750 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(C)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001313572123 1070686246 /nfs/dbraw/zinc/68/62/46/1070686246.db2.gz KDKJPGIAEOKMGE-UHFFFAOYSA-N 1 0 456.635 3.922 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC001313575136 1070690422 /nfs/dbraw/zinc/69/04/22/1070690422.db2.gz NFBHMGDVTVVNJH-XZOQPEGZSA-N 1 0 482.673 3.761 20 0 JHADRO CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001313568819 1070682459 /nfs/dbraw/zinc/68/24/59/1070682459.db2.gz MYHUTJOZTCYVHQ-QHCPKHFHSA-N 1 0 498.672 3.955 20 0 JHADRO CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001313569252 1070683205 /nfs/dbraw/zinc/68/32/05/1070683205.db2.gz OEMHZPUOJUOQGS-DHIUTWEWSA-N 1 0 454.663 3.865 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(C)nnc2N2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC001313574386 1070689915 /nfs/dbraw/zinc/68/99/15/1070689915.db2.gz ZTWYSCSKEYLMBX-UHFFFAOYSA-N 1 0 452.647 3.752 20 0 JHADRO CN(C(=O)Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1)C1CCCCC1 ZINC001314619421 1070695299 /nfs/dbraw/zinc/69/52/99/1070695299.db2.gz FNNDKKHIWGSGAG-UHFFFAOYSA-N 1 0 469.678 3.633 20 0 JHADRO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([NH+](C)C)CCC1)[C@@H](C)C1CCC1 ZINC001313582029 1070702511 /nfs/dbraw/zinc/70/25/11/1070702511.db2.gz MUNIZUUCZNOXDK-IBGZPJMESA-N 1 0 488.702 3.695 20 0 JHADRO CCN(c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](CC(C)C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313582637 1070704078 /nfs/dbraw/zinc/70/40/78/1070704078.db2.gz ORMKJRWAVLWQEC-LEWJYISDSA-N 1 0 498.697 3.791 20 0 JHADRO O=C1c2ccc(S(=O)(=O)N3CCC(CCC[NH+]4CCCC4)CC3)cc2CC1(Cl)Cl ZINC001309334272 1070706021 /nfs/dbraw/zinc/70/60/21/1070706021.db2.gz IFHNGNHIULGTJK-UHFFFAOYSA-N 1 0 459.439 3.876 20 0 JHADRO CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOCC[NH+](C)C)C1CCCCC1 ZINC001313583496 1070706183 /nfs/dbraw/zinc/70/61/83/1070706183.db2.gz SNHBYIBPJNVJAS-UHFFFAOYSA-N 1 0 453.429 3.773 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001314624119 1070707989 /nfs/dbraw/zinc/70/79/89/1070707989.db2.gz MVKIPMQUYZNRFR-RTWAWAEBSA-N 1 0 492.709 3.549 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313587875 1070714705 /nfs/dbraw/zinc/71/47/05/1070714705.db2.gz OEDDIPDMDMBMIW-QGZVFWFLSA-N 1 0 486.469 3.751 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001314626647 1070717681 /nfs/dbraw/zinc/71/76/81/1070717681.db2.gz HWESYLZCNXHKCI-HSZRJFAPSA-N 1 0 484.664 3.823 20 0 JHADRO CCN(c1nnc(-c2ccccc2F)n1CCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001313593287 1070720480 /nfs/dbraw/zinc/72/04/80/1070720480.db2.gz SKOHIAIXPXXKDM-WOJBJXKFSA-N 1 0 477.650 3.752 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(C2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001314628228 1070723329 /nfs/dbraw/zinc/72/33/29/1070723329.db2.gz HRBJHTXTNVMMSU-QFQXNSOFSA-N 1 0 474.694 3.520 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(C2CC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001314630370 1070730404 /nfs/dbraw/zinc/73/04/04/1070730404.db2.gz XYJNODIYDXCGEP-FQEVSTJZSA-N 1 0 478.563 3.753 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2ccccc2F)nnc1N(C)CCc1cccs1 ZINC001314628813 1070725448 /nfs/dbraw/zinc/72/54/48/1070725448.db2.gz LRRRFVLWDYVFJF-QFIPXVFZSA-N 1 0 484.645 3.767 20 0 JHADRO CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC001313603805 1070727011 /nfs/dbraw/zinc/72/70/11/1070727011.db2.gz UZZXFUWZAQFQND-FCHUYYIVSA-N 1 0 492.709 3.984 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N(C)CCc2ccc(Cl)cc2)nnc1C(C)(C)C ZINC001314629756 1070728736 /nfs/dbraw/zinc/72/87/36/1070728736.db2.gz TWXUTBZNIGVFGJ-OAQYLSRUSA-N 1 0 475.081 3.851 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cscn1 ZINC001314630019 1070729363 /nfs/dbraw/zinc/72/93/63/1070729363.db2.gz VAWUKXGOIYKXMK-FQEVSTJZSA-N 1 0 488.061 3.634 20 0 JHADRO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001309389498 1070740183 /nfs/dbraw/zinc/74/01/83/1070740183.db2.gz BWXZFFSKHUANFA-OKZBNKHCSA-N 1 0 457.036 3.687 20 0 JHADRO CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1cccc(F)c1)[NH+](C)C)C1CC1 ZINC001313616734 1070740558 /nfs/dbraw/zinc/74/05/58/1070740558.db2.gz BFZFWEJLLHTNAT-LJQANCHMSA-N 1 0 456.591 3.700 20 0 JHADRO CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@]1([NH+](C)C)CCSC1)C1CCCCC1 ZINC001313617297 1070741740 /nfs/dbraw/zinc/74/17/40/1070741740.db2.gz KMAYBITWIZEMIC-HSZRJFAPSA-N 1 0 476.716 3.866 20 0 JHADRO CN(C)C(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314637582 1070742044 /nfs/dbraw/zinc/74/20/44/1070742044.db2.gz ZZJGUFYTBXYDMP-VDKIKQQVSA-N 1 0 496.700 3.633 20 0 JHADRO CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC[N@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313618666 1070743299 /nfs/dbraw/zinc/74/32/99/1070743299.db2.gz NYENNZSHFHVBMC-GOSISDBHSA-N 1 0 486.107 3.577 20 0 JHADRO CN(C)C(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001314641906 1070744645 /nfs/dbraw/zinc/74/46/45/1070744645.db2.gz JVVONMHAVCIIHJ-XMMPIXPASA-N 1 0 466.674 3.634 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001314646367 1070747145 /nfs/dbraw/zinc/74/71/45/1070747145.db2.gz BAWPVLHKSOBDMH-KDYSTLNUSA-N 1 0 491.640 3.870 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314647688 1070750605 /nfs/dbraw/zinc/75/06/05/1070750605.db2.gz BVLXNYGYRUYQFN-FPOVZHCZSA-N 1 0 483.592 3.819 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)c1ccccc1 ZINC001314650288 1070758589 /nfs/dbraw/zinc/75/85/89/1070758589.db2.gz HNHWTVCISRYMBH-MOPGFXCFSA-N 1 0 480.579 3.674 20 0 JHADRO CCN(CC(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001313623919 1070752407 /nfs/dbraw/zinc/75/24/07/1070752407.db2.gz GMIMIIMGCBKWRR-JOCHJYFZSA-N 1 0 468.646 3.842 20 0 JHADRO Cn1cccc1-c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314648652 1070753207 /nfs/dbraw/zinc/75/32/07/1070753207.db2.gz MNOFLJKNVNPFRW-FCHUYYIVSA-N 1 0 454.594 3.977 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001314649078 1070754239 /nfs/dbraw/zinc/75/42/39/1070754239.db2.gz RGWLJHCPKSACGA-NFBKMPQASA-N 1 0 491.677 3.998 20 0 JHADRO CN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C1CC1)[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314650276 1070758179 /nfs/dbraw/zinc/75/81/79/1070758179.db2.gz HINXJXSDGIVUID-RTWAWAEBSA-N 1 0 476.666 3.696 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)(F)F)CC1)C1CC1 ZINC001314650042 1070758238 /nfs/dbraw/zinc/75/82/38/1070758238.db2.gz YOJQRBZDVQEHIN-SFHVURJKSA-N 1 0 474.934 3.762 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314649143 1070754927 /nfs/dbraw/zinc/75/49/27/1070754927.db2.gz SLPPYHPCKUIESI-PKOBYXMFSA-N 1 0 483.642 3.808 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314649318 1070755431 /nfs/dbraw/zinc/75/54/31/1070755431.db2.gz URAGADCQVKUXNP-GMAHTHKFSA-N 1 0 495.647 3.857 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC001314649402 1070755682 /nfs/dbraw/zinc/75/56/82/1070755682.db2.gz AVCKMZQMZDCSJV-RBUKOAKNSA-N 1 0 488.633 3.562 20 0 JHADRO CN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1cccc(F)c1)[NH+](C)C)C1CC1 ZINC001314649427 1070756031 /nfs/dbraw/zinc/75/60/31/1070756031.db2.gz BDTJVCPTAXSHTR-NHCUHLMSSA-N 1 0 488.608 3.627 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1cccc(F)c1 ZINC001314649806 1070756778 /nfs/dbraw/zinc/75/67/78/1070756778.db2.gz DRLGVWLZEBQYIR-RBUKOAKNSA-N 1 0 485.526 3.855 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1cccs1 ZINC001314650712 1070759575 /nfs/dbraw/zinc/75/95/75/1070759575.db2.gz LLMVBRHZZFOPOP-VAMGGRTRSA-N 1 0 488.702 3.525 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001313629138 1070759995 /nfs/dbraw/zinc/75/99/95/1070759995.db2.gz UTFMLVXROGRQDP-NRFANRHFSA-N 1 0 457.619 3.555 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC(CCC(N)=O)CC1)C1CCCCC1 ZINC001314653715 1070766612 /nfs/dbraw/zinc/76/66/12/1070766612.db2.gz DVSCWDWPGBMTEA-JOCHJYFZSA-N 1 0 472.703 3.923 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+](C)C1CCCCC1 ZINC001313630418 1070761054 /nfs/dbraw/zinc/76/10/54/1070761054.db2.gz MGESQNFUKJEQMP-UHFFFAOYSA-N 1 0 465.646 3.939 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001313630439 1070761171 /nfs/dbraw/zinc/76/11/71/1070761171.db2.gz MPQNLXBPSAMDLZ-FQEVSTJZSA-N 1 0 475.707 3.841 20 0 JHADRO CCN(CC(C)C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001313630584 1070761732 /nfs/dbraw/zinc/76/17/32/1070761732.db2.gz LGDNLKDIEAOLQU-BJKOFHAPSA-N 1 0 455.647 3.659 20 0 JHADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(Cl)c1 ZINC001309433137 1070766709 /nfs/dbraw/zinc/76/67/09/1070766709.db2.gz JGFMTZWNDYWTHG-HXUWFJFHSA-N 1 0 450.988 3.706 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(CC2CCCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313633450 1070764305 /nfs/dbraw/zinc/76/43/05/1070764305.db2.gz AKGCCLSWSVOUMH-VWLOTQADSA-N 1 0 482.717 3.905 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(-c3ccccc3Cl)nnc2N(CCCCO)C2CC2)CCSC1 ZINC001314653110 1070764779 /nfs/dbraw/zinc/76/47/79/1070764779.db2.gz KMPZWHMGMPRECX-JOCHJYFZSA-N 1 0 450.052 3.777 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C2CCCC2)nnc1N1CCC(CCC(N)=O)CC1)c1ccc(F)cc1 ZINC001314653134 1070764836 /nfs/dbraw/zinc/76/48/36/1070764836.db2.gz XNEYMWOPOKKFAX-JOCHJYFZSA-N 1 0 456.610 3.860 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCSCC2)CCSC1 ZINC001314653147 1070765205 /nfs/dbraw/zinc/76/52/05/1070765205.db2.gz KRBACMQWXNBCII-LJQANCHMSA-N 1 0 486.480 3.837 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314653267 1070765259 /nfs/dbraw/zinc/76/52/59/1070765259.db2.gz LIINTNFZYGTSEW-GBESFXJTSA-N 1 0 490.674 3.988 20 0 JHADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001309434467 1070767101 /nfs/dbraw/zinc/76/71/01/1070767101.db2.gz WLKOIWJYOOQFHP-HXUWFJFHSA-N 1 0 450.988 3.706 20 0 JHADRO C[NH+](C)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC001314653862 1070767144 /nfs/dbraw/zinc/76/71/44/1070767144.db2.gz HXXMISZSDHPWTN-OXJNMPFZSA-N 1 0 489.045 3.577 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3F)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CCCCC1 ZINC001314653350 1070765862 /nfs/dbraw/zinc/76/58/62/1070765862.db2.gz MYQMOGCKALUQBR-LJQANCHMSA-N 1 0 477.650 3.752 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCCC1 ZINC001314653413 1070766060 /nfs/dbraw/zinc/76/60/60/1070766060.db2.gz NWTQMINSIMZYIV-MRXNPFEDSA-N 1 0 486.469 3.750 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001313634712 1070767624 /nfs/dbraw/zinc/76/76/24/1070767624.db2.gz ASIGWYTXPFFHFO-LADGPHEKSA-N 1 0 482.673 3.504 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC001314654314 1070768180 /nfs/dbraw/zinc/76/81/80/1070768180.db2.gz FURSIWGQYCZAQY-QHCPKHFHSA-N 1 0 481.689 3.898 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC001314654866 1070770931 /nfs/dbraw/zinc/77/09/31/1070770931.db2.gz ILAQRHSRIRMKCE-GOTSBHOMSA-N 1 0 460.711 3.678 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)c1cccc(F)c1 ZINC001314654936 1070770977 /nfs/dbraw/zinc/77/09/77/1070770977.db2.gz IZKFWKNUSDVTNJ-SIKLNZKXSA-N 1 0 470.637 3.804 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC001314655318 1070772140 /nfs/dbraw/zinc/77/21/40/1070772140.db2.gz OVLMYCXZTGNFIM-RBUKOAKNSA-N 1 0 460.648 3.698 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313636638 1070773350 /nfs/dbraw/zinc/77/33/50/1070773350.db2.gz MDXAITXSIJFLNQ-UHFFFAOYSA-N 1 0 470.662 3.913 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CC1 ZINC001314656510 1070775271 /nfs/dbraw/zinc/77/52/71/1070775271.db2.gz ZFYGLAADGCWXLI-OXJNMPFZSA-N 1 0 477.078 3.656 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(N3CCC(NC(=O)Nc4ccccc4)CC3)nnc2C(C)(C)C)CCSC1 ZINC001314657362 1070776843 /nfs/dbraw/zinc/77/68/43/1070776843.db2.gz ALWBYBJREKSTBU-VWLOTQADSA-N 1 0 485.702 3.803 20 0 JHADRO C[NH+](C)C1(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CCCC1 ZINC001314657884 1070777714 /nfs/dbraw/zinc/77/77/14/1070777714.db2.gz JCJLMNRGBBKMAU-GOSISDBHSA-N 1 0 471.499 3.638 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C2CCCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313639989 1070784110 /nfs/dbraw/zinc/78/41/10/1070784110.db2.gz QBJBHXAYYFSPNU-DEOSSOPVSA-N 1 0 468.690 3.830 20 0 JHADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001309467716 1070788442 /nfs/dbraw/zinc/78/84/42/1070788442.db2.gz KZKMCSHGJOZYHO-WBVHZDCISA-N 1 0 456.486 3.899 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001314662370 1070789401 /nfs/dbraw/zinc/78/94/01/1070789401.db2.gz AMPYHMRWAAIENB-FQEVSTJZSA-N 1 0 459.038 3.778 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CO)CC1 ZINC001314662450 1070789420 /nfs/dbraw/zinc/78/94/20/1070789420.db2.gz DKXKGLGQGZHQKQ-UHFFFAOYSA-N 1 0 450.425 3.504 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001314662714 1070789883 /nfs/dbraw/zinc/78/98/83/1070789883.db2.gz IGGCRNAKAOOZGT-UHFFFAOYSA-N 1 0 477.028 3.774 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001314662825 1070790132 /nfs/dbraw/zinc/79/01/32/1070790132.db2.gz JIHXVNUWEMKBGB-KSSFIOAISA-N 1 0 465.429 3.555 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](Oc2ccccc2)C1 ZINC001314663386 1070791728 /nfs/dbraw/zinc/79/17/28/1070791728.db2.gz TZJSIGJLFLKXFF-NRFANRHFSA-N 1 0 477.613 3.561 20 0 JHADRO C[NH+](C)C1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC(F)(F)CC2)CCOCC1 ZINC001314660943 1070785211 /nfs/dbraw/zinc/78/52/11/1070785211.db2.gz SBYYUORXWVBQAS-SFHVURJKSA-N 1 0 498.619 3.696 20 0 JHADRO Cn1cc(Br)cc1-c1nnc(N2CCOCC3(CCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001314663775 1070793121 /nfs/dbraw/zinc/79/31/21/1070793121.db2.gz ZSLWRZSCQOPBFW-UHFFFAOYSA-N 1 0 479.467 3.641 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001314667473 1070801753 /nfs/dbraw/zinc/80/17/53/1070801753.db2.gz IQJWLUIBFIFXHF-QFIPXVFZSA-N 1 0 483.661 3.898 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001314666134 1070798822 /nfs/dbraw/zinc/79/88/22/1070798822.db2.gz NUGOCDKFNCFZDA-UQBPGWFLSA-N 1 0 476.666 3.555 20 0 JHADRO CCN(CC)C(=O)CCCn1c(Cc2ccccc2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313644955 1070799702 /nfs/dbraw/zinc/79/97/02/1070799702.db2.gz OMYPMHHVSCEJPC-UHFFFAOYSA-N 1 0 454.663 3.746 20 0 JHADRO C[C@H]1CSC[C@@H]1NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309486740 1070802199 /nfs/dbraw/zinc/80/21/99/1070802199.db2.gz WGTAZBHLOSBVRC-IRNNPGBSSA-N 1 0 451.057 3.979 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(N3CCCN(CC(F)(F)F)CC3)nnc2C(C)(C)C)c1 ZINC001314667817 1070802579 /nfs/dbraw/zinc/80/25/79/1070802579.db2.gz UXORJCZIYZWXHA-UHFFFAOYSA-N 1 0 452.569 3.760 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)c1 ZINC001314668698 1070805341 /nfs/dbraw/zinc/80/53/41/1070805341.db2.gz LQJPEHNEHAANBB-VWNXMTODSA-N 1 0 485.673 3.945 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314669093 1070806780 /nfs/dbraw/zinc/80/67/80/1070806780.db2.gz YAMUWMBFYZSHGS-UXHICEINSA-N 1 0 478.682 3.596 20 0 JHADRO CN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)C[NH+](C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001314669147 1070806932 /nfs/dbraw/zinc/80/69/32/1070806932.db2.gz YRVVPHJEMFPTAV-QFIPXVFZSA-N 1 0 482.673 3.501 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC001314669286 1070807215 /nfs/dbraw/zinc/80/72/15/1070807215.db2.gz ZVLRTCSBIRPVPH-LEWJYISDSA-N 1 0 497.562 3.666 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC001314669253 1070807350 /nfs/dbraw/zinc/80/73/50/1070807350.db2.gz YUJBSLVGYPXZBZ-FQEVSTJZSA-N 1 0 492.546 3.810 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC(C)(C)C)CC1 ZINC001314669350 1070807617 /nfs/dbraw/zinc/80/76/17/1070807617.db2.gz CBXWNUOBECFLPV-UHFFFAOYSA-N 1 0 494.526 3.802 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCc2sccc2C1 ZINC001314670380 1070811254 /nfs/dbraw/zinc/81/12/54/1070811254.db2.gz LESIJASNVAWRSN-UHFFFAOYSA-N 1 0 476.444 3.910 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)cc1 ZINC001314671101 1070813267 /nfs/dbraw/zinc/81/32/67/1070813267.db2.gz KXEMVKMUXSTCCH-HXUWFJFHSA-N 1 0 486.661 3.668 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001314671235 1070814265 /nfs/dbraw/zinc/81/42/65/1070814265.db2.gz QCEZAAANMHPWQT-BEFAXECRSA-N 1 0 466.399 3.804 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001314671625 1070814981 /nfs/dbraw/zinc/81/49/81/1070814981.db2.gz NGMAVOPYIFULJD-DHIUTWEWSA-N 1 0 492.753 3.722 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001314671782 1070815899 /nfs/dbraw/zinc/81/58/99/1070815899.db2.gz WERGWVBRFCFDQC-HNNXBMFYSA-N 1 0 480.432 3.934 20 0 JHADRO CN(C[C@H]1CCOC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001314672001 1070816530 /nfs/dbraw/zinc/81/65/30/1070816530.db2.gz OLNQZGHMPSJHSB-GMKZXUHWSA-N 1 0 485.673 3.658 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC001314672022 1070816862 /nfs/dbraw/zinc/81/68/62/1070816862.db2.gz OVAYUOYCUHTZSU-DHIUTWEWSA-N 1 0 469.674 3.913 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC001314672225 1070817384 /nfs/dbraw/zinc/81/73/84/1070817384.db2.gz YDDFPNHXWDYAFD-GOSISDBHSA-N 1 0 491.423 3.883 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C(C)(C)C)C2)cc1 ZINC001314672840 1070818539 /nfs/dbraw/zinc/81/85/39/1070818539.db2.gz VXVCMVOGKJITAU-JOCHJYFZSA-N 1 0 482.673 3.570 20 0 JHADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC001309510289 1070818903 /nfs/dbraw/zinc/81/89/03/1070818903.db2.gz ZAUJQLJNCJVMAG-UHFFFAOYSA-N 1 0 454.228 3.625 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(c2cccc(OC)c2)CC1 ZINC001313651462 1070827112 /nfs/dbraw/zinc/82/71/12/1070827112.db2.gz FSRFYYDQIYBJPR-FQEVSTJZSA-N 1 0 468.646 3.637 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001313653315 1070832767 /nfs/dbraw/zinc/83/27/67/1070832767.db2.gz AACDBADEDFPLSF-NBGIEHNGSA-N 1 0 461.699 3.670 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001313656093 1070848743 /nfs/dbraw/zinc/84/87/43/1070848743.db2.gz DTOBPJGWPAADGI-LJQANCHMSA-N 1 0 494.640 3.856 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001313657351 1070855158 /nfs/dbraw/zinc/85/51/58/1070855158.db2.gz QFFRGAUUTOSYLT-QZTJIDSGSA-N 1 0 468.577 3.951 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001313656423 1070850612 /nfs/dbraw/zinc/85/06/12/1070850612.db2.gz IXPDVBVHYVCUAL-UXHICEINSA-N 1 0 481.645 3.810 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313656617 1070850866 /nfs/dbraw/zinc/85/08/66/1070850866.db2.gz KREVGRMEQJAHSV-FHWLQOOXSA-N 1 0 476.597 3.564 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001313657407 1070855365 /nfs/dbraw/zinc/85/53/65/1070855365.db2.gz RBHPWYKJOIZPMK-IRLDBZIGSA-N 1 0 497.688 3.759 20 0 JHADRO Cc1n[nH]c(C)c1[C@@H](C)NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309569664 1070864385 /nfs/dbraw/zinc/86/43/85/1070864385.db2.gz BYEOMZNEMOPGRZ-YFXJRYMSSA-N 1 0 456.587 3.814 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1CCCNC(=O)C1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314694745 1070857324 /nfs/dbraw/zinc/85/73/24/1070857324.db2.gz UZUHHSXBDJODDR-QHCPKHFHSA-N 1 0 466.674 3.884 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001313657806 1070857680 /nfs/dbraw/zinc/85/76/80/1070857680.db2.gz VEVHAYNBYVXXJO-GOHWNWGWSA-N 1 0 499.635 3.773 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(CO)CC1 ZINC001313657894 1070857794 /nfs/dbraw/zinc/85/77/94/1070857794.db2.gz PHTCKSJNEJBQTK-KRWDZBQOSA-N 1 0 464.452 3.955 20 0 JHADRO Cc1cc(F)cc(S(=O)(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC001309561159 1070858787 /nfs/dbraw/zinc/85/87/87/1070858787.db2.gz PEWVUKPPXANJCO-UHFFFAOYSA-N 1 0 451.995 3.763 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001313658337 1070858851 /nfs/dbraw/zinc/85/88/51/1070858851.db2.gz YXTMMLPMWSXEPM-UXHICEINSA-N 1 0 484.670 3.545 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001313658525 1070859891 /nfs/dbraw/zinc/85/98/91/1070859891.db2.gz AUTGZMQUTKBNIP-LJQANCHMSA-N 1 0 482.032 3.686 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001313658677 1070860470 /nfs/dbraw/zinc/86/04/70/1070860470.db2.gz SWUDMISQYUELGW-WMZOPIPTSA-N 1 0 460.989 3.901 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001313658843 1070861028 /nfs/dbraw/zinc/86/10/28/1070861028.db2.gz CSBWBENAHRUKPN-DOTOQJQBSA-N 1 0 462.023 3.758 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001313659046 1070861562 /nfs/dbraw/zinc/86/15/62/1070861562.db2.gz HKWXTAFMSVBBCC-RTWAWAEBSA-N 1 0 463.630 3.503 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001313659899 1070864411 /nfs/dbraw/zinc/86/44/11/1070864411.db2.gz MFVQVPILRSFQBO-GOSISDBHSA-N 1 0 455.557 3.675 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001313659446 1070862914 /nfs/dbraw/zinc/86/29/14/1070862914.db2.gz HSNIVKRMIAAXIA-IRLDBZIGSA-N 1 0 452.647 3.726 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313660261 1070865518 /nfs/dbraw/zinc/86/55/18/1070865518.db2.gz PFMBUUYONPSQMF-ZRGWGRIASA-N 1 0 469.508 3.560 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001313660335 1070865685 /nfs/dbraw/zinc/86/56/85/1070865685.db2.gz QGVZXYREZRNUMD-IBGZPJMESA-N 1 0 485.702 3.687 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001313660678 1070866219 /nfs/dbraw/zinc/86/62/19/1070866219.db2.gz SMPBERSCRASICG-RBUKOAKNSA-N 1 0 451.623 3.524 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001313660676 1070866329 /nfs/dbraw/zinc/86/63/29/1070866329.db2.gz SMPBERSCRASICG-MOPGFXCFSA-N 1 0 451.623 3.524 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313661009 1070866928 /nfs/dbraw/zinc/86/69/28/1070866928.db2.gz BXFRNASRJZLLSS-GOSISDBHSA-N 1 0 451.619 3.639 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[NH+]1CCCCC1 ZINC001314704202 1070871981 /nfs/dbraw/zinc/87/19/81/1070871981.db2.gz BDWCQWYSXUVOSE-UHFFFAOYSA-N 1 0 478.645 3.562 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313661728 1070868741 /nfs/dbraw/zinc/86/87/41/1070868741.db2.gz YQEPSUMBZXFKTB-GQIGUUNPSA-N 1 0 485.551 3.849 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313661858 1070869273 /nfs/dbraw/zinc/86/92/73/1070869273.db2.gz JRMNTFIAJRXPID-FBBABVLZSA-N 1 0 471.650 3.728 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001313664364 1070876905 /nfs/dbraw/zinc/87/69/05/1070876905.db2.gz BLQMEFWYDNUGCG-QFIPXVFZSA-N 1 0 483.705 3.814 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1)c1ccco1 ZINC001313664638 1070877106 /nfs/dbraw/zinc/87/71/06/1070877106.db2.gz NNLUKHWSQKUCSH-NRFANRHFSA-N 1 0 455.607 3.696 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC001313664557 1070877331 /nfs/dbraw/zinc/87/73/31/1070877331.db2.gz MLLBLKIMZNIAHN-BJKOFHAPSA-N 1 0 454.663 3.786 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313664826 1070877929 /nfs/dbraw/zinc/87/79/29/1070877929.db2.gz AKLSVUDSINZCHX-LAUBAEHRSA-N 1 0 461.573 3.828 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ccccn2)CC1 ZINC001313665448 1070880495 /nfs/dbraw/zinc/88/04/95/1070880495.db2.gz FDUPWETYSYWAIS-HXUWFJFHSA-N 1 0 468.049 3.974 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC001313666070 1070882563 /nfs/dbraw/zinc/88/25/63/1070882563.db2.gz GOUJYUFKZFCPHP-QUCCMNQESA-N 1 0 469.609 3.889 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+](C)C1CCCCC1 ZINC001314708501 1070882570 /nfs/dbraw/zinc/88/25/70/1070882570.db2.gz PBVFMWRIOGBLII-IFMALSPDSA-N 1 0 476.710 3.812 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC001313666584 1070883182 /nfs/dbraw/zinc/88/31/82/1070883182.db2.gz IFYOSTPLQOCLID-DRLORSAXSA-N 1 0 455.647 3.568 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C)C1)c1ccccc1 ZINC001313666262 1070883202 /nfs/dbraw/zinc/88/32/02/1070883202.db2.gz VONBBUJJDRNHKS-CTNGQTDRSA-N 1 0 479.654 3.950 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313667596 1070889517 /nfs/dbraw/zinc/88/95/17/1070889517.db2.gz LGHDREALPVHDHJ-SIKLNZKXSA-N 1 0 475.081 3.994 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001313666589 1070883454 /nfs/dbraw/zinc/88/34/54/1070883454.db2.gz IFYOSTPLQOCLID-UFPGJGBJSA-N 1 0 455.647 3.568 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001313666456 1070883712 /nfs/dbraw/zinc/88/37/12/1070883712.db2.gz GAYAHPYEFOKWFT-HLIPFELVSA-N 1 0 477.078 3.669 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C)=C(C)C1 ZINC001313666310 1070884023 /nfs/dbraw/zinc/88/40/23/1070884023.db2.gz STXIZICNZUJOOV-OAQYLSRUSA-N 1 0 452.651 3.729 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)c1ccco1 ZINC001313666529 1070885097 /nfs/dbraw/zinc/88/50/97/1070885097.db2.gz XPXRPLQILBMCBJ-NHCUHLMSSA-N 1 0 469.565 3.802 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001313667827 1070889776 /nfs/dbraw/zinc/88/97/76/1070889776.db2.gz LIXDDEKIIAQTGU-WAIKUNEKSA-N 1 0 495.455 3.753 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001313667685 1070889800 /nfs/dbraw/zinc/88/98/00/1070889800.db2.gz ZPZVALARFNMQPP-CTNGQTDRSA-N 1 0 478.682 3.644 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C ZINC001313666751 1070885800 /nfs/dbraw/zinc/88/58/00/1070885800.db2.gz IZOPIEMRURYHNY-MOPGFXCFSA-N 1 0 464.655 3.696 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001313666682 1070885943 /nfs/dbraw/zinc/88/59/43/1070885943.db2.gz IGCLWYZAGBVWQQ-LJQANCHMSA-N 1 0 465.621 3.762 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001313666760 1070886426 /nfs/dbraw/zinc/88/64/26/1070886426.db2.gz JNECCVKNDFOMNN-OFNKIYASSA-N 1 0 480.661 3.946 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314709762 1070886686 /nfs/dbraw/zinc/88/66/86/1070886686.db2.gz IEXKXFNSRDSIKJ-WIYYLYMNSA-N 1 0 498.653 3.506 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001313670272 1070896004 /nfs/dbraw/zinc/89/60/04/1070896004.db2.gz GIPXCAHTKGIODQ-HXUWFJFHSA-N 1 0 493.631 3.663 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccco1 ZINC001313670029 1070896071 /nfs/dbraw/zinc/89/60/71/1070896071.db2.gz YCORYMYCOOLMKV-AZUAARDMSA-N 1 0 476.622 3.546 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CC(N)=O)C1)c1ccsc1 ZINC001313670849 1070898228 /nfs/dbraw/zinc/89/82/28/1070898228.db2.gz CUISYYFYPWYMLW-SIKLNZKXSA-N 1 0 481.670 3.885 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001313671517 1070900272 /nfs/dbraw/zinc/90/02/72/1070900272.db2.gz QZBKIKMCAZRSLI-FQEVSTJZSA-N 1 0 485.677 3.878 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)NC)C1)c1ccco1 ZINC001313671976 1070901807 /nfs/dbraw/zinc/90/18/07/1070901807.db2.gz DYWNIZVNTBBAPU-IRLDBZIGSA-N 1 0 464.614 3.892 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)c1ccccc1 ZINC001313672211 1070903160 /nfs/dbraw/zinc/90/31/60/1070903160.db2.gz FNQNCZUFTDKXDS-DHLKQENFSA-N 1 0 477.657 3.671 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCOC(C)(C)[C@H]1C)c1ccsc1 ZINC001313672399 1070904031 /nfs/dbraw/zinc/90/40/31/1070904031.db2.gz NJYLBMWRTRJHEI-XLIONFOSSA-N 1 0 455.632 3.883 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(F)(F)CC1)c1ccsc1 ZINC001313672659 1070904601 /nfs/dbraw/zinc/90/46/01/1070904601.db2.gz ABBVYXPMFNQIER-GOSISDBHSA-N 1 0 466.602 3.781 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313672847 1070904623 /nfs/dbraw/zinc/90/46/23/1070904623.db2.gz BMFILIGPFZRTRV-FQEVSTJZSA-N 1 0 484.649 3.655 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313672755 1070904782 /nfs/dbraw/zinc/90/47/82/1070904782.db2.gz AWBFCDOHHUKANF-CJFMBICVSA-N 1 0 458.651 3.553 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](OC)C(C)(C)C1)c1ccccc1 ZINC001313673944 1070909930 /nfs/dbraw/zinc/90/99/30/1070909930.db2.gz SWRFBUPYBWHACG-YADHBBJMSA-N 1 0 451.619 3.623 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313673249 1070906263 /nfs/dbraw/zinc/90/62/63/1070906263.db2.gz DGDSTVQKVBCMMA-LJQANCHMSA-N 1 0 458.651 3.946 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313673247 1070906492 /nfs/dbraw/zinc/90/64/92/1070906492.db2.gz DGDSTVQKVBCMMA-IBGZPJMESA-N 1 0 458.651 3.946 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2ccccc2Br)n1CC[NH+]1CCSCC1 ZINC001314718271 1070910103 /nfs/dbraw/zinc/91/01/03/1070910103.db2.gz CTFFMDOHJXZLOY-UHFFFAOYSA-N 1 0 464.355 3.755 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC001313673563 1070907903 /nfs/dbraw/zinc/90/79/03/1070907903.db2.gz ZHBCLKMFHPTTOF-LJQANCHMSA-N 1 0 495.697 3.763 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccco1 ZINC001313674491 1070912175 /nfs/dbraw/zinc/91/21/75/1070912175.db2.gz KEONDLBBZKCMOJ-RBBKRZOGSA-N 1 0 480.613 3.509 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccco1 ZINC001313674483 1070912205 /nfs/dbraw/zinc/91/22/05/1070912205.db2.gz KEONDLBBZKCMOJ-IFMALSPDSA-N 1 0 480.613 3.509 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)OC(C)(C)C1)c1ccccc1 ZINC001313674779 1070913374 /nfs/dbraw/zinc/91/33/74/1070913374.db2.gz XAYMQNHKIXEXHE-LEWJYISDSA-N 1 0 468.646 3.706 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1)c1ccsc1 ZINC001313676116 1070919551 /nfs/dbraw/zinc/91/95/51/1070919551.db2.gz CIWUUXRPIMYAON-QFIPXVFZSA-N 1 0 499.660 3.614 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC(C)(C)C1)c1ccco1 ZINC001313675251 1070914829 /nfs/dbraw/zinc/91/48/29/1070914829.db2.gz NTYHQQLUCYGBFE-SFHVURJKSA-N 1 0 486.642 3.561 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1)c1ccco1 ZINC001313676179 1070919628 /nfs/dbraw/zinc/91/96/28/1070919628.db2.gz DBZMWZBLDAEUKJ-CJFMBICVSA-N 1 0 459.635 3.927 20 0 JHADRO CN(CC(F)(F)F)c1nnc([C@H]2CCCCO2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001314720801 1070916688 /nfs/dbraw/zinc/91/66/88/1070916688.db2.gz VYWOJKAFHOZXFZ-VQTJNVASSA-N 1 0 467.536 3.809 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccccc1 ZINC001313676642 1070922017 /nfs/dbraw/zinc/92/20/17/1070922017.db2.gz YMXCSCOKXIHFNQ-GMKZXUHWSA-N 1 0 482.673 3.906 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1)c1ccco1 ZINC001313677142 1070924490 /nfs/dbraw/zinc/92/44/90/1070924490.db2.gz IDMSEUGYZGNTKE-FQEVSTJZSA-N 1 0 470.662 3.992 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314724866 1070926941 /nfs/dbraw/zinc/92/69/41/1070926941.db2.gz UAZMLPIBCZANHY-HXUWFJFHSA-N 1 0 478.563 3.938 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1)c1ccsc1 ZINC001313678346 1070929240 /nfs/dbraw/zinc/92/92/40/1070929240.db2.gz NXMZFRZEIQYDBL-DVECYGJZSA-N 1 0 460.692 3.974 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccco1 ZINC001313679463 1070935313 /nfs/dbraw/zinc/93/53/13/1070935313.db2.gz QQURHMOXUHMIQJ-ICSRJNTNSA-N 1 0 478.519 3.708 20 0 JHADRO CCN(CC)c1ccc(Cn2c(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)nnc2C(C)(C)C)cn1 ZINC001313679753 1070936160 /nfs/dbraw/zinc/93/61/60/1070936160.db2.gz SNINYXYAEJJKJX-UHFFFAOYSA-N 1 0 496.748 3.860 20 0 JHADRO CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001313683338 1070944220 /nfs/dbraw/zinc/94/42/20/1070944220.db2.gz ATBLYNDNOMGFOJ-PMACEKPBSA-N 1 0 490.718 3.798 20 0 JHADRO CN(Cc1ccc(Cl)c(F)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314728181 1070940855 /nfs/dbraw/zinc/94/08/55/1070940855.db2.gz PEVBCRUEOFCTBN-IBGZPJMESA-N 1 0 471.968 3.695 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc([C@@H]2CCCCO2)n1CC[NH+]1CCSCC1 ZINC001314728215 1070940934 /nfs/dbraw/zinc/94/09/34/1070940934.db2.gz XCADIORLTHZUTM-IBGZPJMESA-N 1 0 480.476 3.967 20 0 JHADRO CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001313682580 1070943507 /nfs/dbraw/zinc/94/35/07/1070943507.db2.gz OVKSRYNZYVSTRS-IBGZPJMESA-N 1 0 495.441 3.636 20 0 JHADRO CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001313687760 1070947640 /nfs/dbraw/zinc/94/76/40/1070947640.db2.gz XHTHXAVXZXEXSJ-LJQANCHMSA-N 1 0 451.619 3.786 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ncn(C)n2)CC1 ZINC001313691729 1070952172 /nfs/dbraw/zinc/95/21/72/1070952172.db2.gz VLUYBINIIODJMC-HXUWFJFHSA-N 1 0 466.634 3.522 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001313691768 1070952182 /nfs/dbraw/zinc/95/21/82/1070952182.db2.gz WVKZYKZXOWDYCL-UHFFFAOYSA-N 1 0 498.031 3.968 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCc2nc(C)no2)CC1 ZINC001313691171 1070950168 /nfs/dbraw/zinc/95/01/68/1070950168.db2.gz CSZLYQXGYJMGMF-UHFFFAOYSA-N 1 0 494.644 3.782 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(C)(C)C)n2CCCn2cc(Br)cn2)CC1 ZINC001313691317 1070950759 /nfs/dbraw/zinc/95/07/59/1070950759.db2.gz IGIBSWPJQXUXNX-UHFFFAOYSA-N 1 0 466.472 3.936 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCSC2)CC1 ZINC001313691210 1070950838 /nfs/dbraw/zinc/95/08/38/1070950838.db2.gz DPNFUVCKGKPBQJ-MHECFPHRSA-N 1 0 477.650 3.736 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314731907 1070951639 /nfs/dbraw/zinc/95/16/39/1070951639.db2.gz VVWGEGTZSNNPFZ-HOTGVXAUSA-N 1 0 465.048 3.945 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ncccc2N(C)C)CC1 ZINC001313693285 1070954054 /nfs/dbraw/zinc/95/40/54/1070954054.db2.gz BYBWSDXAZRQSNW-UHFFFAOYSA-N 1 0 493.656 3.782 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001313693821 1070955245 /nfs/dbraw/zinc/95/52/45/1070955245.db2.gz GNQQMDSUJFGPDK-UHFFFAOYSA-N 1 0 468.646 3.523 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3OC)n2CCc2nccnc2C)CC1 ZINC001313693741 1070955270 /nfs/dbraw/zinc/95/52/70/1070955270.db2.gz NSZLRIIPTZZZER-UHFFFAOYSA-N 1 0 463.630 3.529 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001313693915 1070955977 /nfs/dbraw/zinc/95/59/77/1070955977.db2.gz HYNWEAYHNSAEGF-LJQANCHMSA-N 1 0 473.666 3.755 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccsc3)n2CC2(COC)CCOCC2)CC1 ZINC001313694177 1070956585 /nfs/dbraw/zinc/95/65/85/1070956585.db2.gz PWRDTSNCQFDENM-UHFFFAOYSA-N 1 0 461.676 3.684 20 0 JHADRO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCCCCC1 ZINC001314734732 1070958106 /nfs/dbraw/zinc/95/81/06/1070958106.db2.gz LFJFLYSGVQXBHZ-LJQANCHMSA-N 1 0 482.526 3.900 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ncccc2N(C)C)CC1 ZINC001313695197 1070959353 /nfs/dbraw/zinc/95/93/53/1070959353.db2.gz OTSNJHYTFPUDAC-UHFFFAOYSA-N 1 0 463.630 3.774 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C3CCC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001313695386 1070960047 /nfs/dbraw/zinc/96/00/47/1070960047.db2.gz NBRVIHVLXXTVMI-UHFFFAOYSA-N 1 0 459.660 3.502 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(C)COCCO2)CC1 ZINC001313696088 1070961874 /nfs/dbraw/zinc/96/18/74/1070961874.db2.gz DPROTAQGJGPNLC-RUZDIDTESA-N 1 0 489.686 3.695 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C1CC1)[NH+](C)C ZINC001314736500 1070963260 /nfs/dbraw/zinc/96/32/60/1070963260.db2.gz DGTKHWDQPGFTRG-GIHDHMEQSA-N 1 0 487.714 3.911 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC001313696543 1070963986 /nfs/dbraw/zinc/96/39/86/1070963986.db2.gz RLUTYWKOEZFYJY-HXUWFJFHSA-N 1 0 478.563 3.915 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)CCCCC1 ZINC001314737056 1070965888 /nfs/dbraw/zinc/96/58/88/1070965888.db2.gz JOSFSVYMOKYMNM-UUWRZZSWSA-N 1 0 480.682 3.902 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCSC2)CC1 ZINC001313697379 1070966409 /nfs/dbraw/zinc/96/64/09/1070966409.db2.gz NPRUOPHCSLJRQA-IBGZPJMESA-N 1 0 459.660 3.929 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001313697662 1070967027 /nfs/dbraw/zinc/96/70/27/1070967027.db2.gz NHFBPDLRVXFPRK-UHFFFAOYSA-N 1 0 469.037 3.813 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccsc2)CC1 ZINC001313698495 1070971042 /nfs/dbraw/zinc/97/10/42/1070971042.db2.gz FEAIWXLAVWKGQS-UHFFFAOYSA-N 1 0 496.681 3.574 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CC2(C)C)CC1 ZINC001313698540 1070971111 /nfs/dbraw/zinc/97/11/11/1070971111.db2.gz HBDREAAQJPXWEX-JOCHJYFZSA-N 1 0 482.673 3.510 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(Cl)s2)CC1 ZINC001313700083 1070976199 /nfs/dbraw/zinc/97/61/99/1070976199.db2.gz UYVOJXMXRRWMKM-UHFFFAOYSA-N 1 0 491.036 3.838 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCc2cc(C)cc(C)c2)CC1 ZINC001313699249 1070973191 /nfs/dbraw/zinc/97/31/91/1070973191.db2.gz VOMNFSFGXSPDGJ-UHFFFAOYSA-N 1 0 494.709 3.780 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@H](C)[C@H](OC)C2)c1 ZINC001313699339 1070973323 /nfs/dbraw/zinc/97/33/23/1070973323.db2.gz BKVRAKKIHSYAPR-NFBKMPQASA-N 1 0 491.640 3.677 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc([C@@H]2CCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314740420 1070975844 /nfs/dbraw/zinc/97/58/44/1070975844.db2.gz UTPLAXNXIFZGRK-UTKZUKDTSA-N 1 0 480.476 3.618 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CCSc2ccccc2)CC1 ZINC001313699550 1070974830 /nfs/dbraw/zinc/97/48/30/1070974830.db2.gz MTRRHPZSBBKIOZ-UHFFFAOYSA-N 1 0 482.654 3.629 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001313701096 1070978586 /nfs/dbraw/zinc/97/85/86/1070978586.db2.gz QYWJPUZVQDZXBH-JAXLGGSGSA-N 1 0 486.636 3.765 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)N(C)C)C1 ZINC001313700990 1070978764 /nfs/dbraw/zinc/97/87/64/1070978764.db2.gz AGLKLMFIYIQIEF-LJQANCHMSA-N 1 0 472.703 3.922 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](CC(C)C)C2)c1 ZINC001313700341 1070976662 /nfs/dbraw/zinc/97/66/62/1070976662.db2.gz SFXLOHSNBATCKF-DHIUTWEWSA-N 1 0 452.647 3.992 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[C@H](C)C2)c1 ZINC001313700193 1070976703 /nfs/dbraw/zinc/97/67/03/1070976703.db2.gz PUYRKAAKNIXPHS-WOJBJXKFSA-N 1 0 461.614 3.908 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)c2ccc(C)cc2)CC1 ZINC001313702160 1070983554 /nfs/dbraw/zinc/98/35/54/1070983554.db2.gz AIGSAJVNQHNNAX-UPVQGACJSA-N 1 0 482.673 3.622 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CCN(C[C@@H]4CCCO4)CC3)nnc2C(C)(C)C)c1 ZINC001313702374 1070984253 /nfs/dbraw/zinc/98/42/53/1070984253.db2.gz GYMHDVQMMKDUIY-DEOSSOPVSA-N 1 0 468.690 3.767 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H]3OC(=O)O[C@@H]3C2)cc1 ZINC001313702461 1070984321 /nfs/dbraw/zinc/98/43/21/1070984321.db2.gz ASHANTDAAIGEEZ-NHCUHLMSSA-N 1 0 455.603 3.871 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(C)CC1 ZINC001313703673 1070987428 /nfs/dbraw/zinc/98/74/28/1070987428.db2.gz QCXFUIVMJBTQHQ-UHFFFAOYSA-N 1 0 459.598 3.972 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nccs2)C1 ZINC001313702844 1070985337 /nfs/dbraw/zinc/98/53/37/1070985337.db2.gz RFUVWKXWFDOKMU-KRWDZBQOSA-N 1 0 456.616 3.635 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)C(C)(C)C)C1 ZINC001313703117 1070986039 /nfs/dbraw/zinc/98/60/39/1070986039.db2.gz WCTZNHJGAOMJGW-SFHVURJKSA-N 1 0 461.054 3.929 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C)nnc2N2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC001313703842 1070988651 /nfs/dbraw/zinc/98/86/51/1070988651.db2.gz HHWMCMCWQOECNE-UHFFFAOYSA-N 1 0 452.628 3.501 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(CC)C2)cc1 ZINC001313704252 1070989360 /nfs/dbraw/zinc/98/93/60/1070989360.db2.gz JUPYPUVHNAHVEQ-DHLKQENFSA-N 1 0 473.687 3.697 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001313703654 1070987455 /nfs/dbraw/zinc/98/74/55/1070987455.db2.gz CTBXIZCXCOBSOL-GOTSBHOMSA-N 1 0 487.714 3.943 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2C[C@@H]2C)C1 ZINC001313705512 1070993689 /nfs/dbraw/zinc/99/36/89/1070993689.db2.gz DBTNQMVKHFABRU-IHPCNDPISA-N 1 0 459.038 3.686 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2CCOC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313706155 1070995747 /nfs/dbraw/zinc/99/57/47/1070995747.db2.gz YHYVVPXGYFZMDZ-HHHXNRCGSA-N 1 0 485.673 3.824 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@](C)(CC)C2)cc1 ZINC001313706953 1070997603 /nfs/dbraw/zinc/99/76/03/1070997603.db2.gz ZOHAOPCAQFSRLY-MHZLTWQESA-N 1 0 491.640 3.821 20 0 JHADRO C[N@@H+](Cc1ccccc1)CC1CCN(c2nnc(CN3CCCC3=O)n2CCC(C)(F)F)CC1 ZINC001314749084 1070998881 /nfs/dbraw/zinc/99/88/81/1070998881.db2.gz MFNABVLXEMDXSU-UHFFFAOYSA-N 1 0 474.600 3.794 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[C@@H](O)C2)C1 ZINC001313708635 1071000859 /nfs/dbraw/zinc/00/08/59/1071000859.db2.gz YFYXUNFVKKPNTJ-ZIFCJYIRSA-N 1 0 479.467 3.755 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001313709322 1071001967 /nfs/dbraw/zinc/00/19/67/1071001967.db2.gz KUTICTAXVHQOKT-RXVVDRJESA-N 1 0 489.064 3.593 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001313709508 1071002577 /nfs/dbraw/zinc/00/25/77/1071002577.db2.gz MSDPMYKSKWGVSF-QGZVFWFLSA-N 1 0 460.573 3.648 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC001313709539 1071002617 /nfs/dbraw/zinc/00/26/17/1071002617.db2.gz NHMRUTJNHKHKPX-OFNKIYASSA-N 1 0 468.646 3.842 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)C1 ZINC001313710615 1071004769 /nfs/dbraw/zinc/00/47/69/1071004769.db2.gz ATZRQIWQJQZYAU-LJQANCHMSA-N 1 0 471.637 3.866 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(F)(F)Br)C1 ZINC001313710730 1071004838 /nfs/dbraw/zinc/00/48/38/1071004838.db2.gz JXZATHRDFYORPF-HNNXBMFYSA-N 1 0 457.367 3.804 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001313710561 1071004855 /nfs/dbraw/zinc/00/48/55/1071004855.db2.gz HGOKQRLYNKDVHD-OALUTQOASA-N 1 0 475.707 3.903 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001313711306 1071006010 /nfs/dbraw/zinc/00/60/10/1071006010.db2.gz BFCRAYLGEBAYAS-UHFFFAOYSA-N 1 0 457.619 3.808 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001313711334 1071006124 /nfs/dbraw/zinc/00/61/24/1071006124.db2.gz BVERIDMTGWXZGM-OAHLLOKOSA-N 1 0 497.869 3.760 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)s2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313711339 1071006258 /nfs/dbraw/zinc/00/62/58/1071006258.db2.gz CHCYWOCFDQQUIP-UHFFFAOYSA-N 1 0 485.496 3.852 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001313711519 1071006485 /nfs/dbraw/zinc/00/64/85/1071006485.db2.gz DWGIWEPHBIDOQQ-HZPDHXFCSA-N 1 0 486.480 3.741 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nnc(C)s2)C1 ZINC001313711648 1071006548 /nfs/dbraw/zinc/00/65/48/1071006548.db2.gz GVPPYIRORQUJFE-SFHVURJKSA-N 1 0 460.051 3.899 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001313711606 1071006742 /nfs/dbraw/zinc/00/67/42/1071006742.db2.gz OMWPXKZRKNNQPR-ZWKOTPCHSA-N 1 0 496.381 3.693 20 0 JHADRO CN(Cc1ccco1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314754806 1071008239 /nfs/dbraw/zinc/00/82/39/1071008239.db2.gz MPEOXUXQSYAOGO-QHCPKHFHSA-N 1 0 489.045 3.528 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C)C1 ZINC001313712383 1071008627 /nfs/dbraw/zinc/00/86/27/1071008627.db2.gz OPSOSRDJRKQLTH-QGZVFWFLSA-N 1 0 450.425 3.973 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[C@@H](O)C2)C1 ZINC001313710209 1071004222 /nfs/dbraw/zinc/00/42/22/1071004222.db2.gz WHOHGSLYRNDBCC-XPWALMASSA-N 1 0 455.647 3.885 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001313713096 1071010017 /nfs/dbraw/zinc/01/00/17/1071010017.db2.gz YDZOJVFQYMVKGO-FQEVSTJZSA-N 1 0 487.450 3.873 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001313714313 1071011603 /nfs/dbraw/zinc/01/16/03/1071011603.db2.gz KFJZOJURSMNHFB-INIZCTEOSA-N 1 0 486.970 3.835 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313714210 1071011718 /nfs/dbraw/zinc/01/17/18/1071011718.db2.gz HUZHRJOTSHNWKG-LJQANCHMSA-N 1 0 486.617 3.509 20 0 JHADRO CN(Cc1cccs1)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(F)(F)F ZINC001314758540 1071013076 /nfs/dbraw/zinc/01/30/76/1071013076.db2.gz MIAPSZYEMCNIEG-UHFFFAOYSA-N 1 0 464.561 3.903 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001313714925 1071012962 /nfs/dbraw/zinc/01/29/62/1071012962.db2.gz WQPMJHZDMYCZLT-FQEVSTJZSA-N 1 0 471.646 3.826 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313714987 1071013581 /nfs/dbraw/zinc/01/35/81/1071013581.db2.gz ADDADHHFRDBNKL-PZJWPPBQSA-N 1 0 471.650 3.812 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001313715410 1071014122 /nfs/dbraw/zinc/01/41/22/1071014122.db2.gz AXYHKHZQNREDAO-UHFFFAOYSA-N 1 0 469.584 3.601 20 0 JHADRO CC[NH+](CC)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1csc(C)n1 ZINC001313715651 1071015105 /nfs/dbraw/zinc/01/51/05/1071015105.db2.gz GXADCEIMUPWLCS-OAQYLSRUSA-N 1 0 456.664 3.978 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)C1 ZINC001313716621 1071016359 /nfs/dbraw/zinc/01/63/59/1071016359.db2.gz UXMKPOLBUQKYNX-LJQANCHMSA-N 1 0 451.619 3.814 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 ZINC001313717261 1071016552 /nfs/dbraw/zinc/01/65/52/1071016552.db2.gz YJOAOUYDGGCICG-DEOSSOPVSA-N 1 0 464.614 3.967 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001313716766 1071016573 /nfs/dbraw/zinc/01/65/73/1071016573.db2.gz AAPROLHIXVIFBW-PGRDOPGGSA-N 1 0 463.573 3.760 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001313717583 1071017481 /nfs/dbraw/zinc/01/74/81/1071017481.db2.gz FNZAYEGKQGUISV-OAQYLSRUSA-N 1 0 474.675 3.666 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(C)C)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC001313719473 1071020261 /nfs/dbraw/zinc/02/02/61/1071020261.db2.gz OXLZTUHRWACALW-LJQANCHMSA-N 1 0 458.626 3.804 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2C)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313718262 1071018398 /nfs/dbraw/zinc/01/83/98/1071018398.db2.gz PSBBDELWWOAZAP-AZUAARDMSA-N 1 0 469.552 3.768 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2cccn2C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314762017 1071019010 /nfs/dbraw/zinc/01/90/10/1071019010.db2.gz CQJYBSPHYZALQP-GOSISDBHSA-N 1 0 478.567 3.793 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001313718720 1071019062 /nfs/dbraw/zinc/01/90/62/1071019062.db2.gz CSNBUYNPRRRNDI-CTNGQTDRSA-N 1 0 494.644 3.953 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001313719036 1071019568 /nfs/dbraw/zinc/01/95/68/1071019568.db2.gz MQRQLJAOWDJAOE-RTWAWAEBSA-N 1 0 492.709 3.986 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001313719034 1071019660 /nfs/dbraw/zinc/01/96/60/1071019660.db2.gz MQRQLJAOWDJAOE-LEWJYISDSA-N 1 0 492.709 3.986 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001313720386 1071021534 /nfs/dbraw/zinc/02/15/34/1071021534.db2.gz VNOXNYMQBMHDPV-MRXNPFEDSA-N 1 0 454.413 3.896 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@@H]1CSC ZINC001313720733 1071021555 /nfs/dbraw/zinc/02/15/55/1071021555.db2.gz ZEFLZQIVSRJJSJ-QGZVFWFLSA-N 1 0 455.632 3.658 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001313722040 1071025728 /nfs/dbraw/zinc/02/57/28/1071025728.db2.gz WEIBLSMEBIHYSP-MJGOQNOKSA-N 1 0 475.037 3.539 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001313722324 1071026289 /nfs/dbraw/zinc/02/62/89/1071026289.db2.gz WDDZYGZDLDBPEI-FGTMMUONSA-N 1 0 480.451 3.678 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1c1nncn1C ZINC001313721030 1071022652 /nfs/dbraw/zinc/02/26/52/1071022652.db2.gz BZJANZDRLDLFCM-VQIMIIECSA-N 1 0 473.025 3.807 20 0 JHADRO C[NH+](C)[C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc(Br)c(C(F)(F)F)c3)C[C@@H]2C1 ZINC001309946779 1071025898 /nfs/dbraw/zinc/02/58/98/1071025898.db2.gz ZFLAHSWTTGODSH-RWMBFGLXSA-N 1 0 455.340 3.819 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001313721187 1071023364 /nfs/dbraw/zinc/02/33/64/1071023364.db2.gz WUXGMKNIQKDUOK-YRXWBPOGSA-N 1 0 452.619 3.575 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001313721179 1071023449 /nfs/dbraw/zinc/02/34/49/1071023449.db2.gz IAJZBFOFFJHOGJ-QAPCUYQASA-N 1 0 478.016 3.508 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001313721631 1071024465 /nfs/dbraw/zinc/02/44/65/1071024465.db2.gz GPLOEXWKDXRFHD-HXUWFJFHSA-N 1 0 470.662 3.757 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001313723197 1071028823 /nfs/dbraw/zinc/02/88/23/1071028823.db2.gz DDGJUIMANJYBDS-VGSWGCGISA-N 1 0 457.573 3.952 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313723693 1071029261 /nfs/dbraw/zinc/02/92/61/1071029261.db2.gz KWCBZTWOOLGZSX-RCCFBDPRSA-N 1 0 459.660 3.861 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001313724630 1071031052 /nfs/dbraw/zinc/03/10/52/1071031052.db2.gz AQKRJAKMBIGHMK-MZYLBHOOSA-N 1 0 463.667 3.805 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001313723182 1071028222 /nfs/dbraw/zinc/02/82/22/1071028222.db2.gz CDSDBBRHVYWKES-KBMIEXCESA-N 1 0 459.610 3.513 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313724566 1071031092 /nfs/dbraw/zinc/03/10/92/1071031092.db2.gz XUONAJKTFWNXPI-QUCCMNQESA-N 1 0 466.586 3.720 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCc3cc(OC)c(C)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313727116 1071036246 /nfs/dbraw/zinc/03/62/46/1071036246.db2.gz XDXSFIWHYARVCB-JIPXPUAJSA-N 1 0 485.673 3.929 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CCCCC1 ZINC001313724666 1071031541 /nfs/dbraw/zinc/03/15/41/1071031541.db2.gz ZLWOUWGMLBMNIG-GOSISDBHSA-N 1 0 461.680 3.737 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001313724634 1071031628 /nfs/dbraw/zinc/03/16/28/1071031628.db2.gz AQKRJAKMBIGHMK-YMPZKCBVSA-N 1 0 463.667 3.805 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313725640 1071033017 /nfs/dbraw/zinc/03/30/17/1071033017.db2.gz NEKFCDCEFKVCAZ-CGXNFDGLSA-N 1 0 478.682 3.990 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313725642 1071033025 /nfs/dbraw/zinc/03/30/25/1071033025.db2.gz NEKFCDCEFKVCAZ-NCYKPQTJSA-N 1 0 478.682 3.990 20 0 JHADRO CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001309972292 1071033081 /nfs/dbraw/zinc/03/30/81/1071033081.db2.gz NHXQOISAJSURIW-UHFFFAOYSA-N 1 0 459.616 3.761 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC001313725693 1071033535 /nfs/dbraw/zinc/03/35/35/1071033535.db2.gz OOQJBUDAOGZPMA-WOIUINJBSA-N 1 0 457.619 3.871 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001313725768 1071033630 /nfs/dbraw/zinc/03/36/30/1071033630.db2.gz QXIVUNMAKKIZLU-RTBURBONSA-N 1 0 462.589 3.507 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001313725872 1071034147 /nfs/dbraw/zinc/03/41/47/1071034147.db2.gz SYXNHHSTDQFSFI-YADHBBJMSA-N 1 0 470.662 3.903 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 ZINC001313725947 1071034161 /nfs/dbraw/zinc/03/41/61/1071034161.db2.gz VNRVPWLPPXQBQY-XUVXKRRUSA-N 1 0 464.655 3.553 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001313725992 1071034168 /nfs/dbraw/zinc/03/41/68/1071034168.db2.gz WLVWJRXIXJYLFX-SJORKVTESA-N 1 0 482.460 3.541 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001313726901 1071035574 /nfs/dbraw/zinc/03/55/74/1071035574.db2.gz SRKXAFOZNQJDKY-SFHVURJKSA-N 1 0 460.573 3.551 20 0 JHADRO CC[NH+](CC)CC[C@H](NC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccccc1 ZINC001309976950 1071035693 /nfs/dbraw/zinc/03/56/93/1071035693.db2.gz SCZVFZGHHOYZTN-NRFANRHFSA-N 1 0 458.006 3.871 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001313727268 1071036738 /nfs/dbraw/zinc/03/67/38/1071036738.db2.gz NMKMDDHUBNHGIY-NHCUHLMSSA-N 1 0 484.689 3.847 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001313727329 1071036741 /nfs/dbraw/zinc/03/67/41/1071036741.db2.gz PLNZTYKKKWBFFJ-FGZHOGPDSA-N 1 0 465.646 3.932 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(I)cc2C)[C@H](C)C1 ZINC001309977807 1071036176 /nfs/dbraw/zinc/03/61/76/1071036176.db2.gz HNMRRCCQIXHIGR-QAPCUYQASA-N 1 0 459.372 3.858 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(OC(C)C)CC1 ZINC001313728074 1071038761 /nfs/dbraw/zinc/03/87/61/1071038761.db2.gz OBMTVSRWPMDDKW-HXUWFJFHSA-N 1 0 453.635 3.641 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313728741 1071040241 /nfs/dbraw/zinc/04/02/41/1071040241.db2.gz VEKRFPZNMIWLPE-GGPKGHCWSA-N 1 0 453.553 3.950 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC001309991784 1071041714 /nfs/dbraw/zinc/04/17/14/1071041714.db2.gz NACBSJOEEDNOAZ-UHFFFAOYSA-N 1 0 456.974 3.745 20 0 JHADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC001309991671 1071041875 /nfs/dbraw/zinc/04/18/75/1071041875.db2.gz XKISDFCXZKDMSB-AUSIDOKSSA-N 1 0 456.612 3.850 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(CN2CCCC2=O)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313729887 1071043149 /nfs/dbraw/zinc/04/31/49/1071043149.db2.gz DFXWZSVWUXOOCS-MOPGFXCFSA-N 1 0 474.600 3.826 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313731849 1071047998 /nfs/dbraw/zinc/04/79/98/1071047998.db2.gz WITNDPSOTURCTQ-KGVIQGDOSA-N 1 0 474.600 3.902 20 0 JHADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC001309994752 1071044318 /nfs/dbraw/zinc/04/43/18/1071044318.db2.gz GFQIEBXKBLVUKC-GOSISDBHSA-N 1 0 457.040 3.853 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(C(=O)NC(C)C)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001313730429 1071044544 /nfs/dbraw/zinc/04/45/44/1071044544.db2.gz YCNLYUKVAYFBKN-QGZVFWFLSA-N 1 0 483.082 3.515 20 0 JHADRO CN(Cc1nccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314774892 1071044798 /nfs/dbraw/zinc/04/47/98/1071044798.db2.gz RCTONRJNVRPONW-IBGZPJMESA-N 1 0 450.037 3.524 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCC1 ZINC001314775759 1071046792 /nfs/dbraw/zinc/04/67/92/1071046792.db2.gz ZZVFGIIGFVTHNG-UHFFFAOYSA-N 1 0 481.830 3.543 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001313731304 1071047124 /nfs/dbraw/zinc/04/71/24/1071047124.db2.gz QMVNWRKGBARMDR-XMSQKQJNSA-N 1 0 463.573 3.671 20 0 JHADRO CCCCNS(=O)(=O)c1cccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC001309998356 1071047371 /nfs/dbraw/zinc/04/73/71/1071047371.db2.gz QUPIBBCMRQIEJJ-HXUWFJFHSA-N 1 0 453.008 3.843 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2cccnc2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314775974 1071047711 /nfs/dbraw/zinc/04/77/11/1071047711.db2.gz YPSQLFPXZZSMLO-FQEVSTJZSA-N 1 0 482.995 3.729 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C1CC1)[NH+](C)C ZINC001314777068 1071049532 /nfs/dbraw/zinc/04/95/32/1071049532.db2.gz IPTRULQZJXJLMF-QGZVFWFLSA-N 1 0 482.942 3.571 20 0 JHADRO CCc1ccc(CN2CCN(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)CC2)cc1 ZINC001310001934 1071050811 /nfs/dbraw/zinc/05/08/11/1071050811.db2.gz KUMCHKYZUPMTBJ-UHFFFAOYSA-N 1 0 458.628 3.676 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001313736407 1071058006 /nfs/dbraw/zinc/05/80/06/1071058006.db2.gz XDSUEVTUAVWACI-HXUWFJFHSA-N 1 0 451.619 3.836 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001313734455 1071054253 /nfs/dbraw/zinc/05/42/53/1071054253.db2.gz RHWFVEGXBKJYAN-UPVQGACJSA-N 1 0 482.673 3.631 20 0 JHADRO CC(C)[NH+](CCCNC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)C(C)C ZINC001310007091 1071054927 /nfs/dbraw/zinc/05/49/27/1071054927.db2.gz ZJIBBWLORCMJSO-UHFFFAOYSA-N 1 0 451.637 3.568 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001313734734 1071055222 /nfs/dbraw/zinc/05/52/22/1071055222.db2.gz AVXWRYAHLUFNDK-XZOQPEGZSA-N 1 0 468.646 3.775 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001310020067 1071064801 /nfs/dbraw/zinc/06/48/01/1071064801.db2.gz RKRYOHWPNFCMGB-QAQDUYKDSA-N 1 0 451.999 3.659 20 0 JHADRO CN(C[C@@H]1CC=CCC1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314790601 1071068181 /nfs/dbraw/zinc/06/81/81/1071068181.db2.gz PLHAUOHNKWLROE-WOJBJXKFSA-N 1 0 459.585 3.786 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313741940 1071068367 /nfs/dbraw/zinc/06/83/67/1071068367.db2.gz JLVDYZIKAQEDPG-SFTDATJTSA-N 1 0 451.619 3.513 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc(CN2CCCC2=O)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001313742140 1071069117 /nfs/dbraw/zinc/06/91/17/1071069117.db2.gz WPWJLYYBAPLJPI-HSZRJFAPSA-N 1 0 452.647 3.856 20 0 JHADRO CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001313744404 1071071798 /nfs/dbraw/zinc/07/17/98/1071071798.db2.gz XBKIRIBFCUKAFC-UHFFFAOYSA-N 1 0 467.643 3.816 20 0 JHADRO C[C@@H](CCNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)[NH+]1CCCCC1 ZINC001310043446 1071080378 /nfs/dbraw/zinc/08/03/78/1071080378.db2.gz RECMUNSLYKURQT-AQNXPRMDSA-N 1 0 450.649 3.739 20 0 JHADRO CN(C)S(=O)(=O)c1ccc(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)cc1 ZINC001310038934 1071077868 /nfs/dbraw/zinc/07/78/68/1071077868.db2.gz OJXRMGTZJUHZCZ-UHFFFAOYSA-N 1 0 458.628 3.893 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(OC(F)F)c2)n1CC1([NH+](C)C)CCC1 ZINC001313750445 1071082108 /nfs/dbraw/zinc/08/21/08/1071082108.db2.gz JEQKNQJVMBGLJO-UHFFFAOYSA-N 1 0 459.545 3.791 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001313751767 1071087604 /nfs/dbraw/zinc/08/76/04/1071087604.db2.gz SHRJKMHZGOPLID-SFHVURJKSA-N 1 0 457.026 3.874 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(Br)c2)n1CC[NH+]1CCSCC1 ZINC001313752818 1071089732 /nfs/dbraw/zinc/08/97/32/1071089732.db2.gz OKLLEWLEHHCYBL-UHFFFAOYSA-N 1 0 490.475 3.516 20 0 JHADRO CN(C[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](C2CC2)[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC001314805699 1071092295 /nfs/dbraw/zinc/09/22/95/1071092295.db2.gz VUFFXAHXFIDDAP-NFBKMPQASA-N 1 0 497.688 3.687 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001313754274 1071093112 /nfs/dbraw/zinc/09/31/12/1071093112.db2.gz XYLAKXSCGIJQHB-IBGZPJMESA-N 1 0 489.466 3.916 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314807038 1071095445 /nfs/dbraw/zinc/09/54/45/1071095445.db2.gz DNVXJCXERIEHKS-AUSIDOKSSA-N 1 0 464.079 3.822 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccccc2F)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313755929 1071097009 /nfs/dbraw/zinc/09/70/09/1071097009.db2.gz SSIUABCMOWZEQO-BGYRXZFFSA-N 1 0 483.636 3.656 20 0 JHADRO Cc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1S(=O)(=O)N1CCCCCC1 ZINC001310072171 1071097749 /nfs/dbraw/zinc/09/77/49/1071097749.db2.gz LOJMBAGIJMSJGC-OAQYLSRUSA-N 1 0 450.649 3.898 20 0 JHADRO CN(C[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCCCCC2)C1)C(=O)OC(C)(C)C ZINC001314809730 1071100653 /nfs/dbraw/zinc/10/06/53/1071100653.db2.gz CCOZDQPCPFAZMJ-HSZRJFAPSA-N 1 0 497.688 3.833 20 0 JHADRO CN(C[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@]2([NH+](C)C)CCSC2)C1)C(=O)OC(C)(C)C ZINC001314810061 1071101989 /nfs/dbraw/zinc/10/19/89/1071101989.db2.gz IRPYNBFUJOCQDX-MHECFPHRSA-N 1 0 480.723 3.706 20 0 JHADRO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(CC(C)C)n1CC1(SC)CC[NH+](C)CC1 ZINC001313758893 1071105691 /nfs/dbraw/zinc/10/56/91/1071105691.db2.gz BLASSQZNUHCXCP-UHFFFAOYSA-N 1 0 483.686 3.979 20 0 JHADRO CCN(CC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313763998 1071110686 /nfs/dbraw/zinc/11/06/86/1071110686.db2.gz DVSTWQKFQFPTKW-ZIEJVCCYSA-N 1 0 490.693 3.784 20 0 JHADRO CCN(CC1CCC1)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001313766141 1071114060 /nfs/dbraw/zinc/11/40/60/1071114060.db2.gz HQNBZMXSBLHRTF-FQEVSTJZSA-N 1 0 474.053 3.563 20 0 JHADRO CN(C)c1ccc(NC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC001310105763 1071120960 /nfs/dbraw/zinc/12/09/60/1071120960.db2.gz PFHZDNRCZARHJU-UHFFFAOYSA-N 1 0 450.505 3.920 20 0 JHADRO CN(C)c1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(C(F)(F)F)c1 ZINC001310106117 1071121088 /nfs/dbraw/zinc/12/10/88/1071121088.db2.gz VQNJVPGLDKDZRW-PXNSSMCTSA-N 1 0 450.505 3.776 20 0 JHADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)NCC[N@H+](C)[C@@H](C)CC)c2)c1C(F)(F)F ZINC001310118989 1071132441 /nfs/dbraw/zinc/13/24/41/1071132441.db2.gz WXKBNRBWTYMFIW-AWEZNQCLSA-N 1 0 455.481 3.920 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(Cc2c(F)cccc2F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001313778376 1071139605 /nfs/dbraw/zinc/13/96/05/1071139605.db2.gz APOJCXRBUQAUGN-GAJHUEQPSA-N 1 0 465.614 3.590 20 0 JHADRO C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)c1 ZINC001310130172 1071141608 /nfs/dbraw/zinc/14/16/08/1071141608.db2.gz KDQWXQQNGRCVCK-FGZHOGPDSA-N 1 0 454.571 3.939 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001313780443 1071144804 /nfs/dbraw/zinc/14/48/04/1071144804.db2.gz MRGUYTSKHCKNQT-FKBYEOEOSA-N 1 0 490.693 3.738 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(Cn2nc(C)cc2C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313781490 1071146312 /nfs/dbraw/zinc/14/63/12/1071146312.db2.gz CJPBJIQXSOOWFT-MZKRTTBSSA-N 1 0 457.667 3.513 20 0 JHADRO CN(CCC(F)F)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314824221 1071147143 /nfs/dbraw/zinc/14/71/43/1071147143.db2.gz AYANBUVJFRAFRL-UHFFFAOYSA-N 1 0 483.633 3.594 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(Cc2ccccc2F)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001313782761 1071148508 /nfs/dbraw/zinc/14/85/08/1071148508.db2.gz YPVPOMHYJLDACI-RBBKRZOGSA-N 1 0 459.610 3.514 20 0 JHADRO CCOCCCNC(=O)c1cccc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC001310140689 1071148685 /nfs/dbraw/zinc/14/86/85/1071148685.db2.gz SSPPITBBCHVDAM-NRFANRHFSA-N 1 0 452.599 3.971 20 0 JHADRO CN(CCC(F)F)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314825377 1071149308 /nfs/dbraw/zinc/14/93/08/1071149308.db2.gz RJMKQYVXMQDULK-MRXNPFEDSA-N 1 0 497.641 3.694 20 0 JHADRO CN(CCc1ccc(Br)cc1)c1nnc(CC2CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314828748 1071156820 /nfs/dbraw/zinc/15/68/20/1071156820.db2.gz IEABLTKGOCMASX-UHFFFAOYSA-N 1 0 489.506 3.698 20 0 JHADRO CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCC(C)CC1 ZINC001313786229 1071162829 /nfs/dbraw/zinc/16/28/29/1071162829.db2.gz PRXLLHJHPDKUJQ-UHFFFAOYSA-N 1 0 461.614 3.726 20 0 JHADRO CCN(C[C@H]1COc2ccccc2O1)c1nnc(C(=O)NC(C)C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001313786695 1071165660 /nfs/dbraw/zinc/16/56/60/1071165660.db2.gz VEBMDUYWPRLWHO-SFTDATJTSA-N 1 0 498.672 3.593 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCCC2)C1)CC(F)(F)F ZINC001313787904 1071170833 /nfs/dbraw/zinc/17/08/33/1071170833.db2.gz PFQHKSGPCAGOAL-SFHVURJKSA-N 1 0 454.541 3.653 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccco2)[NH+](C)C)C1)CC(F)(F)F ZINC001313788152 1071172981 /nfs/dbraw/zinc/17/29/81/1071172981.db2.gz JHRGFDUHAQQTOD-UYAOXDASSA-N 1 0 493.578 3.890 20 0 JHADRO CN(CCc1nccs1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001314838186 1071182299 /nfs/dbraw/zinc/18/22/99/1071182299.db2.gz FEBVLBOZVGGWMF-KDURUIRLSA-N 1 0 489.690 3.670 20 0 JHADRO CN(CCCCCO)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314844308 1071197392 /nfs/dbraw/zinc/19/73/92/1071197392.db2.gz FIHWFSMOCJNTSX-UHFFFAOYSA-N 1 0 457.663 3.952 20 0 JHADRO CCC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CCC4(CCOCC4)O3)cc2Cl)CC1 ZINC001310190855 1071196074 /nfs/dbraw/zinc/19/60/74/1071196074.db2.gz HJALZNLJTRCDLR-IBGZPJMESA-N 1 0 451.011 3.722 20 0 JHADRO CN(CCCCc1ccccc1)c1nnc([C@H]2CCCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314844440 1071198352 /nfs/dbraw/zinc/19/83/52/1071198352.db2.gz DGEVXQBVIUEXRF-HSZRJFAPSA-N 1 0 454.663 3.615 20 0 JHADRO CC[N@H+](CCC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCCS2(=O)=O)CC1)CC1CC1 ZINC001313800736 1071203941 /nfs/dbraw/zinc/20/39/41/1071203941.db2.gz UXUJUCPLQVJDQB-JOCHJYFZSA-N 1 0 479.735 3.881 20 0 JHADRO CC[N@H+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)C(C)C ZINC001313801079 1071204723 /nfs/dbraw/zinc/20/47/23/1071204723.db2.gz BBSANKFMNNDMBV-PMOQBDJRSA-N 1 0 475.609 3.672 20 0 JHADRO COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001310209801 1071207902 /nfs/dbraw/zinc/20/79/02/1071207902.db2.gz RGSUNYUAXQLLFC-HXUWFJFHSA-N 1 0 457.546 3.989 20 0 JHADRO CC[N@H+](CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)C[C@H]1C)C(C)C ZINC001313802593 1071208728 /nfs/dbraw/zinc/20/87/28/1071208728.db2.gz PLVDFDIIIARWMP-IRLDBZIGSA-N 1 0 470.662 3.822 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOCC2(CCC2)C1)C(C)C ZINC001313802447 1071209069 /nfs/dbraw/zinc/20/90/69/1071209069.db2.gz GITMUEFKIVFJTG-UHFFFAOYSA-N 1 0 465.440 3.773 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001313803937 1071213553 /nfs/dbraw/zinc/21/35/53/1071213553.db2.gz YXXWKCVHZXAIDO-GASCZTMLSA-N 1 0 466.399 3.945 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)CCC(F)(F)F ZINC001313803362 1071211024 /nfs/dbraw/zinc/21/10/24/1071211024.db2.gz PQPWVLPPSJGOKD-HNNXBMFYSA-N 1 0 472.943 3.540 20 0 JHADRO CCc1ccc([C@H](CNC(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)[NH+](C)C)cc1 ZINC001310219778 1071216358 /nfs/dbraw/zinc/21/63/58/1071216358.db2.gz YJVFGDDQZXQPAU-QFIPXVFZSA-N 1 0 458.628 3.848 20 0 JHADRO C[N@H+](CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1)Cc1ccccc1 ZINC001314850533 1071216425 /nfs/dbraw/zinc/21/64/25/1071216425.db2.gz GJBNSIBCEPWKCU-UHFFFAOYSA-N 1 0 481.689 3.727 20 0 JHADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2cccc(F)c2)C1)C(C)C ZINC001313804666 1071216490 /nfs/dbraw/zinc/21/64/90/1071216490.db2.gz GUCMVLUDGYKOOR-HXUWFJFHSA-N 1 0 465.577 3.789 20 0 JHADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC001313805015 1071218020 /nfs/dbraw/zinc/21/80/20/1071218020.db2.gz HUVHPHOAVTVVAZ-MRXNPFEDSA-N 1 0 469.540 3.885 20 0 JHADRO 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C[NH+]1CCN(c2ccc(CNC(=O)Nc3cc(Br)c(F)cc3Cl)cn2)CC1 ZINC001310392942 1071364767 /nfs/dbraw/zinc/36/47/67/1071364767.db2.gz PFHVOQAZRZGINH-UHFFFAOYSA-N 1 0 456.747 3.710 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2CCCO[C@H]2CCOC2)C[C@@H]1C ZINC001313859612 1071365374 /nfs/dbraw/zinc/36/53/74/1071365374.db2.gz HCPUWXUTIMJDKT-ULQDDVLXSA-N 1 0 498.491 3.884 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC(C)C)cc2)C[C@H]1C ZINC001313859860 1071366804 /nfs/dbraw/zinc/36/68/04/1071366804.db2.gz LQFIJFCOMQBPOV-RTWAWAEBSA-N 1 0 468.646 3.516 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCOC[C@@H]2OC)C[C@H]1C ZINC001313860010 1071366865 /nfs/dbraw/zinc/36/68/65/1071366865.db2.gz IKSIYCDEWZTYGS-FYTJFPQHSA-N 1 0 475.609 3.528 20 0 JHADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccccc3Br)nnc2N2CC=C(C(C)(C)C)CC2)C1 ZINC001314924963 1071367327 /nfs/dbraw/zinc/36/73/27/1071367327.db2.gz YFPPSGKCCVLTRA-HSZRJFAPSA-N 1 0 474.447 3.957 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CC2(SC)CC2)C[C@@H]1C ZINC001313860097 1071367425 /nfs/dbraw/zinc/36/74/25/1071367425.db2.gz JANOBGZFLXDFBZ-LSDHHAIUSA-N 1 0 467.481 3.861 20 0 JHADRO CN(Cc1c(F)cccc1Cl)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314925563 1071368837 /nfs/dbraw/zinc/36/88/37/1071368837.db2.gz BLDBILUAOLJMIN-SRDOKRBCSA-N 1 0 480.028 3.692 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2Cc2ncnn2C(C)(C)C)C[C@@H]1C ZINC001313860480 1071370177 /nfs/dbraw/zinc/37/01/77/1071370177.db2.gz LFIWXPYLEIYIJN-DLBZAZTESA-N 1 0 457.026 3.912 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001313860790 1071371042 /nfs/dbraw/zinc/37/10/42/1071371042.db2.gz LKZTVEZXWJMMID-DLBZAZTESA-N 1 0 472.435 3.717 20 0 JHADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC001310409198 1071373253 /nfs/dbraw/zinc/37/32/53/1071373253.db2.gz ZAOHLEDWMDPBEX-PMACEKPBSA-N 1 0 450.649 3.883 20 0 JHADRO C[N@@H+]1CCN(CCn2c(N3CCC(C(=O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001314930612 1071373363 /nfs/dbraw/zinc/37/33/63/1071373363.db2.gz IGYANBCIPQTPLA-UHFFFAOYSA-N 1 0 484.664 3.840 20 0 JHADRO C[N@@H+]1CCN(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCSCC2)CC1(C)C ZINC001314931343 1071375737 /nfs/dbraw/zinc/37/57/37/1071375737.db2.gz QZXRNKUUHFXZDH-UHFFFAOYSA-N 1 0 469.486 3.831 20 0 JHADRO CS(=O)(=O)Cc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1F ZINC001310412729 1071376232 /nfs/dbraw/zinc/37/62/32/1071376232.db2.gz CWLGEGDPNRGUAR-FQEVSTJZSA-N 1 0 459.587 3.794 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(Cl)c(OC)c2)C[C@H]1C ZINC001313862251 1071376329 /nfs/dbraw/zinc/37/63/29/1071376329.db2.gz SIFKPABZZNXWMJ-MSOLQXFVSA-N 1 0 498.031 3.749 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC(C)(C)C)C[C@H]1C ZINC001313863322 1071381614 /nfs/dbraw/zinc/38/16/14/1071381614.db2.gz CWLWBMYAEQHTAD-MOPGFXCFSA-N 1 0 463.630 3.717 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2Cc2ncccc2C)C[C@H]1C ZINC001313863815 1071383191 /nfs/dbraw/zinc/38/31/91/1071383191.db2.gz TVOAFKRHCOCRJY-IAGOWNOFSA-N 1 0 472.435 3.717 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2c(C)noc2C)C[C@@H]1C ZINC001313863849 1071384149 /nfs/dbraw/zinc/38/41/49/1071384149.db2.gz UIGSVWWQDTYVQG-LSDHHAIUSA-N 1 0 490.450 3.813 20 0 JHADRO CN(c1ccccc1NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)S(C)(=O)=O ZINC001310426101 1071384502 /nfs/dbraw/zinc/38/45/02/1071384502.db2.gz GODOOICMLVIGES-GOSISDBHSA-N 1 0 458.506 3.526 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)C[C@H]1C ZINC001313864759 1071388631 /nfs/dbraw/zinc/38/86/31/1071388631.db2.gz VXDWBOKSFXHXMS-CEXWTWQISA-N 1 0 495.603 3.878 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)C[C@@H]1C ZINC001313864761 1071388342 /nfs/dbraw/zinc/38/83/42/1071388342.db2.gz VXDWBOKSFXHXMS-FHWLQOOXSA-N 1 0 495.603 3.878 20 0 JHADRO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001310443985 1071393811 /nfs/dbraw/zinc/39/38/11/1071393811.db2.gz KPIBLZSVALWLCN-QRGRWYIGSA-N 1 0 450.649 3.823 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2Cc2cc(Br)cs2)C[C@H]1C ZINC001313865022 1071390290 /nfs/dbraw/zinc/39/02/90/1071390290.db2.gz NOGBQNDTWDVVFU-KGLIPLIRSA-N 1 0 462.421 3.526 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCC[C@@H]2OC)C[C@H]1C ZINC001313867172 1071397269 /nfs/dbraw/zinc/39/72/69/1071397269.db2.gz IALCDNYYKTYUKS-RDCABSMISA-N 1 0 455.647 3.806 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2Cc2nccc(C(F)F)n2)C[C@@H]1C ZINC001313866989 1071397317 /nfs/dbraw/zinc/39/73/17/1071397317.db2.gz HWVVVIZQTQWAPI-ZWKOTPCHSA-N 1 0 485.583 3.767 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCCOC)C[C@@H]1C ZINC001313867124 1071397899 /nfs/dbraw/zinc/39/78/99/1071397899.db2.gz LMPKNIMFJLTFEI-HOTGVXAUSA-N 1 0 456.418 3.834 20 0 JHADRO CCOC(=O)c1cc2cc(NC(=O)NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)ccc2s1 ZINC001310453882 1071398215 /nfs/dbraw/zinc/39/82/15/1071398215.db2.gz RWURTYSXHGOENA-HXUWFJFHSA-N 1 0 453.564 3.966 20 0 JHADRO Cc1ccc(NC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(Br)n1 ZINC001310453563 1071398311 /nfs/dbraw/zinc/39/83/11/1071398311.db2.gz ISGYDSCBRCICRE-IBGZPJMESA-N 1 0 458.404 3.577 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001314946551 1071405664 /nfs/dbraw/zinc/40/56/64/1071405664.db2.gz TWSRFUFBNDUBHX-QZTJIDSGSA-N 1 0 477.053 3.547 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001313868138 1071402364 /nfs/dbraw/zinc/40/23/64/1071402364.db2.gz MKAAYVAJFQNBBX-MSOLQXFVSA-N 1 0 459.635 3.860 20 0 JHADRO CCOC(=O)Cc1nnc(NC(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)s1 ZINC001310463038 1071405796 /nfs/dbraw/zinc/40/57/96/1071405796.db2.gz KWELTYKZKQCLTP-NBGIEHNGSA-N 1 0 479.606 3.824 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCCCC1 ZINC001314945730 1071403416 /nfs/dbraw/zinc/40/34/16/1071403416.db2.gz MBUHZYWVRNWPQZ-INIZCTEOSA-N 1 0 465.017 3.820 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2Cc2conc2COC)C[C@@H]1C ZINC001313869796 1071410366 /nfs/dbraw/zinc/41/03/66/1071410366.db2.gz QNNVGKUBTLEFDJ-JKSUJKDBSA-N 1 0 489.418 3.809 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001313868773 1071406406 /nfs/dbraw/zinc/40/64/06/1071406406.db2.gz NWOKNDZBNPIXNH-BJLQDIEVSA-N 1 0 494.482 3.878 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cccnc2OCCOC)C[C@@H]1C ZINC001313869965 1071411414 /nfs/dbraw/zinc/41/14/14/1071411414.db2.gz DFFGYLUZNUDYFE-VQTJNVASSA-N 1 0 499.059 3.910 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313870043 1071411456 /nfs/dbraw/zinc/41/14/56/1071411456.db2.gz FBVAEWMMMXHWHH-PMACEKPBSA-N 1 0 478.645 3.781 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)cc2OC)C[C@@H]1C ZINC001313869423 1071408325 /nfs/dbraw/zinc/40/83/25/1071408325.db2.gz PRPDWMJEZRSAGH-ROUUACIJSA-N 1 0 454.644 3.918 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccsc3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313870109 1071411609 /nfs/dbraw/zinc/41/16/09/1071411609.db2.gz SCVPPFPQTDGABX-IAGOWNOFSA-N 1 0 458.598 3.734 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnc(C)s2)C[C@H]1C ZINC001313870574 1071413237 /nfs/dbraw/zinc/41/32/37/1071413237.db2.gz UXQFNNNOCGTWMP-QZTJIDSGSA-N 1 0 454.644 3.804 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(CC)(CC)SC)C[C@@H]1C ZINC001313870399 1071413264 /nfs/dbraw/zinc/41/32/64/1071413264.db2.gz RCFYLRGYBGSDJD-RBUKOAKNSA-N 1 0 483.690 3.762 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCOC)C[C@@H]1C ZINC001313870874 1071414948 /nfs/dbraw/zinc/41/49/48/1071414948.db2.gz ROOSLAVIIFQTHL-PMACEKPBSA-N 1 0 478.682 3.738 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2Cc2cc(Br)ccc2OC)C[C@H]1C ZINC001313871848 1071418206 /nfs/dbraw/zinc/41/82/06/1071418206.db2.gz UAGVGPCBOWSVMD-IKGGRYGDSA-N 1 0 478.435 3.520 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2cc(OC)ccc2OC(F)F)C[C@@H]1C ZINC001313872246 1071419889 /nfs/dbraw/zinc/41/98/89/1071419889.db2.gz IXZZMCTWFZSNBQ-ROUUACIJSA-N 1 0 486.567 3.841 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@](C)(O)c2ccsc2)C[C@@H]1C ZINC001313872437 1071420750 /nfs/dbraw/zinc/42/07/50/1071420750.db2.gz ANIPNLHSBOITNY-XFAGBWLFSA-N 1 0 473.618 3.884 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2CCc2ccn(C)n2)C[C@@H]1C ZINC001313872423 1071420813 /nfs/dbraw/zinc/42/08/13/1071420813.db2.gz XHFGRAYTEGYACE-HOTGVXAUSA-N 1 0 490.425 3.742 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@](C)(O)c2ccsc2)C[C@H]1C ZINC001313872440 1071420872 /nfs/dbraw/zinc/42/08/72/1071420872.db2.gz ANIPNLHSBOITNY-YTZAWJCFSA-N 1 0 473.618 3.884 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CCCC2=O)C[C@@H]1C ZINC001313872263 1071421120 /nfs/dbraw/zinc/42/11/20/1071421120.db2.gz VWDIXHMGVLWKCA-SFTDATJTSA-N 1 0 466.674 3.956 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2Cc2ccnc(C(F)(F)F)c2)C[C@H]1C ZINC001313873760 1071426313 /nfs/dbraw/zinc/42/63/13/1071426313.db2.gz MCXKUQPTBRWOKW-SJORKVTESA-N 1 0 459.520 3.645 20 0 JHADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@H](CO)Cc2ccc(O)cc2)cc1)C[C@@H]1CCCCO1 ZINC001310490330 1071428557 /nfs/dbraw/zinc/42/85/57/1071428557.db2.gz NSLSNRVICALLBJ-ZCYQVOJMSA-N 1 0 455.599 3.897 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1([NH+](C)C)CCCCC1 ZINC001314955147 1071428738 /nfs/dbraw/zinc/42/87/38/1071428738.db2.gz NTTVQVRAGRJSKK-IBGZPJMESA-N 1 0 479.629 3.683 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(F)cn2)C[C@@H]1C ZINC001313874726 1071430338 /nfs/dbraw/zinc/43/03/38/1071430338.db2.gz JUKZFYTVWITCNH-VQTJNVASSA-N 1 0 452.578 3.975 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2(COC)CCOCC2)C[C@H]1C ZINC001313875175 1071431472 /nfs/dbraw/zinc/43/14/72/1071431472.db2.gz PKDJRPYPSXYURG-RTBURBONSA-N 1 0 477.600 3.509 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313875342 1071433730 /nfs/dbraw/zinc/43/37/30/1071433730.db2.gz RTTSYFDXRWOOMV-UFYCRDLUSA-N 1 0 469.634 3.659 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2n[nH]c(C)n2)C[C@@H]1C ZINC001313875536 1071434721 /nfs/dbraw/zinc/43/47/21/1071434721.db2.gz MOQXLLBFRFRQFE-PMACEKPBSA-N 1 0 480.661 3.877 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2ccccc2OC)C[C@H]1C ZINC001313875479 1071434808 /nfs/dbraw/zinc/43/48/08/1071434808.db2.gz LVSZYUYJABNHGD-FSSWDIPSSA-N 1 0 481.645 3.535 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCCO[C@@H]2CCOC2)C[C@@H]1C ZINC001313875535 1071434827 /nfs/dbraw/zinc/43/48/27/1071434827.db2.gz MOKMIBOKRVPTJQ-WPFOTENUSA-N 1 0 471.646 3.588 20 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CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCc2ccc(OC)cc2OC)C[C@H]1C ZINC001313878832 1071446042 /nfs/dbraw/zinc/44/60/42/1071446042.db2.gz ZAFVVLMYBMGSGO-MOPGFXCFSA-N 1 0 450.587 3.519 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313878862 1071446801 /nfs/dbraw/zinc/44/68/01/1071446801.db2.gz ZHQLTBMQZDLTMI-IRXDYDNUSA-N 1 0 473.021 3.921 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccn3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001313879706 1071450644 /nfs/dbraw/zinc/45/06/44/1071450644.db2.gz ARXUVYIRPCALQE-UGKGYDQZSA-N 1 0 483.661 3.812 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C)C2)CC1 ZINC001313879587 1071450658 /nfs/dbraw/zinc/45/06/58/1071450658.db2.gz GOISCWZYLUVIQP-PZJWPPBQSA-N 1 0 476.666 3.555 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313880141 1071451942 /nfs/dbraw/zinc/45/19/42/1071451942.db2.gz PHRHEAPABQKWKI-HXUWFJFHSA-N 1 0 475.037 3.650 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001313880268 1071451866 /nfs/dbraw/zinc/45/18/66/1071451866.db2.gz HIZXTLDFEVZVAV-SFHVURJKSA-N 1 0 459.038 3.778 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001313880230 1071451870 /nfs/dbraw/zinc/45/18/70/1071451870.db2.gz RCSXZZLZNQAXHR-VXKWHMMOSA-N 1 0 490.693 3.645 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccn3C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313879855 1071451196 /nfs/dbraw/zinc/45/11/96/1071451196.db2.gz CYVNTZVNKAAGSF-LJQANCHMSA-N 1 0 468.568 3.953 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001313879730 1071451254 /nfs/dbraw/zinc/45/12/54/1071451254.db2.gz AUSJARMIOSDHKQ-HXUWFJFHSA-N 1 0 495.093 3.519 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCC2(O)CCC2)C[C@@H]1C ZINC001313878846 1071445978 /nfs/dbraw/zinc/44/59/78/1071445978.db2.gz ZCKSXSILIZCYQX-IRXDYDNUSA-N 1 0 462.436 3.932 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001314967291 1071452763 /nfs/dbraw/zinc/45/27/63/1071452763.db2.gz YIUWYJUBBAUGHP-DWXRJYCRSA-N 1 0 452.647 3.688 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc[nH]3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001313880756 1071453113 /nfs/dbraw/zinc/45/31/13/1071453113.db2.gz MLFJMXJTCILPSX-LJQANCHMSA-N 1 0 484.670 3.996 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001313881470 1071455278 /nfs/dbraw/zinc/45/52/78/1071455278.db2.gz AZJJEYPSYGBVPD-QPPBQGQZSA-N 1 0 471.646 3.528 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001314971740 1071459503 /nfs/dbraw/zinc/45/95/03/1071459503.db2.gz PFVQHTVIAYBBIA-AMGIVPHBSA-N 1 0 466.674 3.538 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314972546 1071460171 /nfs/dbraw/zinc/46/01/71/1071460171.db2.gz YWYYUFPHCVKVFG-KBMIEXCESA-N 1 0 486.636 3.784 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](c3ccc(Cl)s3)C2)C1 ZINC001313883529 1071461988 /nfs/dbraw/zinc/46/19/88/1071461988.db2.gz IOQRUZYOCMBIRI-SQNIBIBYSA-N 1 0 484.066 3.637 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccccc3OC)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001313883580 1071462149 /nfs/dbraw/zinc/46/21/49/1071462149.db2.gz UETYSZZTWYBWGO-YKSBVNFPSA-N 1 0 455.647 3.861 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001314973755 1071462819 /nfs/dbraw/zinc/46/28/19/1071462819.db2.gz MRYQUBDDVFONIH-MBSDFSHPSA-N 1 0 473.046 3.925 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314974804 1071464028 /nfs/dbraw/zinc/46/40/28/1071464028.db2.gz UDRUKUPHTKRVIJ-XHNVNVPESA-N 1 0 473.065 3.929 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3Cl)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314974802 1071464060 /nfs/dbraw/zinc/46/40/60/1071464060.db2.gz UDRUKUPHTKRVIJ-HHJKRLRDSA-N 1 0 473.065 3.929 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)O[C@H](COC)C2)C1 ZINC001313884725 1071465012 /nfs/dbraw/zinc/46/50/12/1071465012.db2.gz SCGNSSOPVGXRCT-GHDARCQNSA-N 1 0 478.037 3.653 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(=O)OCC(C)C)CC2)C1 ZINC001313885122 1071466439 /nfs/dbraw/zinc/46/64/39/1071466439.db2.gz ABWDJYLTVCYOHV-SFHVURJKSA-N 1 0 493.027 3.994 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001313885135 1071466532 /nfs/dbraw/zinc/46/65/32/1071466532.db2.gz ACNNNHHBNXZUHH-OAHLLOKOSA-N 1 0 495.441 3.539 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](OC)C(C)(C)C)C[C@@H]1C ZINC001313885399 1071466618 /nfs/dbraw/zinc/46/66/18/1071466618.db2.gz OWGFONRKOCIDQQ-IPJJNNNSSA-N 1 0 459.635 3.846 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001314976039 1071466913 /nfs/dbraw/zinc/46/69/13/1071466913.db2.gz GQYWSSDGDSAXQB-UHFFFAOYSA-N 1 0 470.021 3.720 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC001313885686 1071467120 /nfs/dbraw/zinc/46/71/20/1071467120.db2.gz GWFHOXFSRPHGCS-SFHVURJKSA-N 1 0 471.005 3.989 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2ccc(OC)cc2)C[C@@H]1C ZINC001313885843 1071468051 /nfs/dbraw/zinc/46/80/51/1071468051.db2.gz QOOCVXCZASZGKR-CIEVZJJWSA-N 1 0 485.673 3.907 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2ccc(OC)cc2)C[C@@H]1C ZINC001313885844 1071468080 /nfs/dbraw/zinc/46/80/80/1071468080.db2.gz QOOCVXCZASZGKR-XARGGIHNSA-N 1 0 485.673 3.907 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314976441 1071468952 /nfs/dbraw/zinc/46/89/52/1071468952.db2.gz GCNBVAFOOYNDFV-RXYILKCJSA-N 1 0 496.700 3.884 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001314977287 1071471052 /nfs/dbraw/zinc/47/10/52/1071471052.db2.gz MVALXUONWXKAMC-SANMLTNESA-N 1 0 470.662 3.555 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N(C)C2CCC(NC(C)=O)CC2)C1 ZINC001313886926 1071471529 /nfs/dbraw/zinc/47/15/29/1071471529.db2.gz RGFXZENNZJBKJL-XEVCZEQESA-N 1 0 459.038 3.824 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3Br)nnc2N(C)CCOCC2CC2)C1 ZINC001313888000 1071474962 /nfs/dbraw/zinc/47/49/62/1071474962.db2.gz ZNRATYLZITUEEU-SFHVURJKSA-N 1 0 462.436 3.912 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001313887240 1071473319 /nfs/dbraw/zinc/47/33/19/1071473319.db2.gz TZSHLOXAEBJBNA-GOSISDBHSA-N 1 0 459.038 3.683 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001313888112 1071475913 /nfs/dbraw/zinc/47/59/13/1071475913.db2.gz MHJCHIFXWKWAMG-FGZHOGPDSA-N 1 0 482.673 3.965 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)Cc2cnccn2)C1 ZINC001313888291 1071476918 /nfs/dbraw/zinc/47/69/18/1071476918.db2.gz BGGOBRMLKZAYFF-INIZCTEOSA-N 1 0 476.412 3.932 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(F)(F)C2)C1 ZINC001313889581 1071480836 /nfs/dbraw/zinc/48/08/36/1071480836.db2.gz AVANFCGXOOUZLL-QZTJIDSGSA-N 1 0 468.593 3.580 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314979493 1071479341 /nfs/dbraw/zinc/47/93/41/1071479341.db2.gz VZTOJLFWXZSDJT-MHZLTWQESA-N 1 0 482.673 3.558 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCC2)C1 ZINC001314980232 1071481246 /nfs/dbraw/zinc/48/12/46/1071481246.db2.gz ZUYZEOMBXWYSPI-QHCPKHFHSA-N 1 0 495.455 3.612 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N(C)Cc2cnc(C)s2)C1 ZINC001313889868 1071481552 /nfs/dbraw/zinc/48/15/52/1071481552.db2.gz JVWVVDASOVOTCQ-SFHVURJKSA-N 1 0 456.616 3.609 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CC[N@H+](CC)C2)CC1=O ZINC001313890154 1071482287 /nfs/dbraw/zinc/48/22/87/1071482287.db2.gz MMXNASLDPOAUKP-FQEVSTJZSA-N 1 0 452.647 3.643 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001313890616 1071483152 /nfs/dbraw/zinc/48/31/52/1071483152.db2.gz NJJKPKDJXMRSKH-XHSDSOJGSA-N 1 0 488.485 3.852 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001313890613 1071483217 /nfs/dbraw/zinc/48/32/17/1071483217.db2.gz NJJKPKDJXMRSKH-JYJNAYRXSA-N 1 0 488.485 3.852 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313890939 1071483981 /nfs/dbraw/zinc/48/39/81/1071483981.db2.gz QUZQVDMNYQDGKD-FCHUYYIVSA-N 1 0 498.672 3.953 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001313891846 1071485213 /nfs/dbraw/zinc/48/52/13/1071485213.db2.gz VGTDTKGDZJNACL-QGZVFWFLSA-N 1 0 491.658 3.635 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC001313892362 1071486242 /nfs/dbraw/zinc/48/62/42/1071486242.db2.gz KMMTUAHLFBZOQV-GOSISDBHSA-N 1 0 472.540 3.928 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313892598 1071487749 /nfs/dbraw/zinc/48/77/49/1071487749.db2.gz GGBXBIZRJXMKDT-PKOBYXMFSA-N 1 0 477.053 3.907 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001313893507 1071490266 /nfs/dbraw/zinc/49/02/66/1071490266.db2.gz NVEQBHOSUXMMBQ-OEMFJLHTSA-N 1 0 482.673 3.824 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313894019 1071492574 /nfs/dbraw/zinc/49/25/74/1071492574.db2.gz RVNCBQHQUYVQMC-QUCCMNQESA-N 1 0 472.609 3.523 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCCC2)C1 ZINC001314985625 1071492947 /nfs/dbraw/zinc/49/29/47/1071492947.db2.gz MWPJHQPRYZEFQZ-VXKWHMMOSA-N 1 0 482.673 3.872 20 0 JHADRO CNC(=O)c1ccn([C@H]2CCCN(c3nnc(CC(C)C)n3CC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)C2)n1 ZINC001314985687 1071492956 /nfs/dbraw/zinc/49/29/56/1071492956.db2.gz RIQJOHGDYMVURZ-BDTNDASRSA-N 1 0 498.720 3.631 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1Cc2ccc(Br)cc2C1 ZINC001313894761 1071494036 /nfs/dbraw/zinc/49/40/36/1071494036.db2.gz XGQPVAOLZZFRGM-OXJNMPFZSA-N 1 0 478.435 3.769 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313895296 1071496489 /nfs/dbraw/zinc/49/64/89/1071496489.db2.gz ZPIBMGUXVPLBMR-SRUXOGRHSA-N 1 0 488.652 3.587 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCC[C@H](COC)C2)C1 ZINC001313895555 1071497055 /nfs/dbraw/zinc/49/70/55/1071497055.db2.gz AAYNZIYDHOBIFK-FKBYEOEOSA-N 1 0 490.693 3.945 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313896167 1071499530 /nfs/dbraw/zinc/49/95/30/1071499530.db2.gz MXDJOWNHZQDWPM-MSOLQXFVSA-N 1 0 496.578 3.519 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314987590 1071499566 /nfs/dbraw/zinc/49/95/66/1071499566.db2.gz CHIPBJZVXYVOHM-XUZZJYLKSA-N 1 0 466.674 3.652 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](COC)C1 ZINC001313896641 1071500253 /nfs/dbraw/zinc/50/02/53/1071500253.db2.gz PNFZCSLWFUKPIO-DLBZAZTESA-N 1 0 498.853 3.697 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001313897420 1071502099 /nfs/dbraw/zinc/50/20/99/1071502099.db2.gz JGKKRZDZUGAXDO-SFHLNBCPSA-N 1 0 456.660 3.962 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313897589 1071502688 /nfs/dbraw/zinc/50/26/88/1071502688.db2.gz YZSBJQJACJCBPK-INIZCTEOSA-N 1 0 495.441 3.682 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001314990743 1071506083 /nfs/dbraw/zinc/50/60/83/1071506083.db2.gz UQQGIAJIVPAKOG-UYAOXDASSA-N 1 0 490.599 3.629 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001313899008 1071506581 /nfs/dbraw/zinc/50/65/81/1071506581.db2.gz UBCYBIOTXLGJFK-HKBOAZHASA-N 1 0 476.666 3.697 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[N@H+](CC)C1 ZINC001313899007 1071506648 /nfs/dbraw/zinc/50/66/48/1071506648.db2.gz UBCYBIOTXLGJFK-HBMCJLEFSA-N 1 0 476.666 3.697 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313899187 1071507296 /nfs/dbraw/zinc/50/72/96/1071507296.db2.gz GSOSBWDXEXCKMO-DSKINZAPSA-N 1 0 481.563 3.712 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC001313899101 1071507373 /nfs/dbraw/zinc/50/73/73/1071507373.db2.gz GIYSYSZNOXIPNI-OALUTQOASA-N 1 0 479.572 3.903 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001313899264 1071508140 /nfs/dbraw/zinc/50/81/40/1071508140.db2.gz IKHFSQHTODGJOB-QJWGWKRISA-N 1 0 457.669 3.789 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313902945 1071514314 /nfs/dbraw/zinc/51/43/14/1071514314.db2.gz JXGOLDHDEOZKLB-QHCPKHFHSA-N 1 0 482.673 3.698 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001313900602 1071509523 /nfs/dbraw/zinc/50/95/23/1071509523.db2.gz QKLIEKWXYMGHAY-PWRODBHTSA-N 1 0 490.693 3.943 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001313901183 1071511081 /nfs/dbraw/zinc/51/10/81/1071511081.db2.gz RAVRWJUFZXUCFT-LJQANCHMSA-N 1 0 467.511 3.840 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001313901313 1071511199 /nfs/dbraw/zinc/51/11/99/1071511199.db2.gz GGQPOLCMENNKIH-CYBMUJFWSA-N 1 0 463.430 3.541 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001313903135 1071514635 /nfs/dbraw/zinc/51/46/35/1071514635.db2.gz MGKSWCXCPCEPMI-HYBUGGRVSA-N 1 0 495.590 3.914 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001313903153 1071514743 /nfs/dbraw/zinc/51/47/43/1071514743.db2.gz CEHKLTDQLYUZAQ-JOCHJYFZSA-N 1 0 467.662 3.527 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001313902969 1071514004 /nfs/dbraw/zinc/51/40/04/1071514004.db2.gz AZPNNYLENJISDO-ZEQRLZLVSA-N 1 0 498.672 3.653 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(F)cc1 ZINC001313903021 1071514180 /nfs/dbraw/zinc/51/41/80/1071514180.db2.gz KKTQQUHRZFTTMH-IBGZPJMESA-N 1 0 456.591 3.529 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001313903239 1071515183 /nfs/dbraw/zinc/51/51/83/1071515183.db2.gz CUARGFLDCUKTIP-QGZVFWFLSA-N 1 0 450.990 3.720 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001313904727 1071520066 /nfs/dbraw/zinc/52/00/66/1071520066.db2.gz LGTXXLQDSLVDHV-RTWAWAEBSA-N 1 0 457.598 3.815 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001313905114 1071520385 /nfs/dbraw/zinc/52/03/85/1071520385.db2.gz NGCAVNLWSGMJHO-OAQYLSRUSA-N 1 0 489.462 3.687 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C)C1 ZINC001313905194 1071520438 /nfs/dbraw/zinc/52/04/38/1071520438.db2.gz NRZHCDWRIHSROM-DOTOQJQBSA-N 1 0 466.399 3.946 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313906744 1071525185 /nfs/dbraw/zinc/52/51/85/1071525185.db2.gz ZQNBKOXTHYJDCF-NRFANRHFSA-N 1 0 489.462 3.641 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313905068 1071520777 /nfs/dbraw/zinc/52/07/77/1071520777.db2.gz SQSAQHGNHXWBGI-GOTSBHOMSA-N 1 0 482.673 3.651 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001313906227 1071523581 /nfs/dbraw/zinc/52/35/81/1071523581.db2.gz VIIHABGSXASUGV-PWRODBHTSA-N 1 0 498.697 3.934 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001313906168 1071523648 /nfs/dbraw/zinc/52/36/48/1071523648.db2.gz UOVPYMZUWCSDOT-SOLBZPMBSA-N 1 0 465.440 3.534 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315002089 1071526355 /nfs/dbraw/zinc/52/63/55/1071526355.db2.gz RSCGQKJNQZDFPE-ZRZAMGCNSA-N 1 0 480.701 3.784 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C)CC1 ZINC001313907311 1071527211 /nfs/dbraw/zinc/52/72/11/1071527211.db2.gz BQBCZXQUEGZIAR-PZJWPPBQSA-N 1 0 459.660 3.849 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C)C(=O)C1 ZINC001313909209 1071531010 /nfs/dbraw/zinc/53/10/10/1071531010.db2.gz PQDODOUXDXFDDH-INIZCTEOSA-N 1 0 495.853 3.514 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001315002953 1071528193 /nfs/dbraw/zinc/52/81/93/1071528193.db2.gz JSDFEAFIEZZQFS-SFHVURJKSA-N 1 0 491.105 3.918 20 0 JHADRO CNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001315003784 1071529866 /nfs/dbraw/zinc/52/98/66/1071529866.db2.gz HZFYROBXVLQGRH-NRFANRHFSA-N 1 0 487.092 3.853 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313908378 1071530193 /nfs/dbraw/zinc/53/01/93/1071530193.db2.gz NEJZCKWEOSUXMK-ICSRJNTNSA-N 1 0 486.642 3.566 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001313909095 1071531993 /nfs/dbraw/zinc/53/19/93/1071531993.db2.gz MXWWYNIVFQIHDN-HSZRJFAPSA-N 1 0 475.641 3.830 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001313910638 1071536425 /nfs/dbraw/zinc/53/64/25/1071536425.db2.gz XUMYZPSSPXXIAW-QHCPKHFHSA-N 1 0 453.631 3.717 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001313909340 1071532577 /nfs/dbraw/zinc/53/25/77/1071532577.db2.gz OBVSPSPXMYLVTJ-QFIPXVFZSA-N 1 0 465.650 3.564 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(Cl)ccc1OC ZINC001313909957 1071534086 /nfs/dbraw/zinc/53/40/86/1071534086.db2.gz IOQUVFOSGCSNIK-IBGZPJMESA-N 1 0 455.994 3.908 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001313911033 1071537082 /nfs/dbraw/zinc/53/70/82/1071537082.db2.gz YOQWNCBVYZCCEE-FQEVSTJZSA-N 1 0 459.660 3.531 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](C)[NH+](C)C)CC1 ZINC001315021545 1071542505 /nfs/dbraw/zinc/54/25/05/1071542505.db2.gz MVMDEIGOKFJLDY-KRWDZBQOSA-N 1 0 458.676 3.578 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313911996 1071538992 /nfs/dbraw/zinc/53/89/92/1071538992.db2.gz GPUDZHHBJLUJNE-MOPGFXCFSA-N 1 0 498.569 3.943 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313912396 1071540137 /nfs/dbraw/zinc/54/01/37/1071540137.db2.gz IOQVAGVAUQGFTL-QGDZQMKYSA-N 1 0 477.694 3.835 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001315020230 1071540186 /nfs/dbraw/zinc/54/01/86/1071540186.db2.gz LSDLTZTZTSNMRU-NHCUHLMSSA-N 1 0 482.673 3.674 20 0 JHADRO CCN1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCCCC2)CC1=O ZINC001313913119 1071542289 /nfs/dbraw/zinc/54/22/89/1071542289.db2.gz IPSYVWYYGMBYDE-QHCPKHFHSA-N 1 0 482.673 3.970 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCC[N@@H+]2CC)CC1=O ZINC001313913151 1071541779 /nfs/dbraw/zinc/54/17/79/1071541779.db2.gz IZNNMSRUDOKOHM-GOSISDBHSA-N 1 0 463.001 3.671 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001313914696 1071548064 /nfs/dbraw/zinc/54/80/64/1071548064.db2.gz SYJNPTQFHARSET-RXVVDRJESA-N 1 0 482.570 3.955 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1=O ZINC001313913244 1071542895 /nfs/dbraw/zinc/54/28/95/1071542895.db2.gz LASSRRNDGXJXJV-IBGZPJMESA-N 1 0 459.038 3.922 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313914073 1071544432 /nfs/dbraw/zinc/54/44/32/1071544432.db2.gz QOKBIJYIIBTJPO-BJKOFHAPSA-N 1 0 455.647 3.682 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313913703 1071544478 /nfs/dbraw/zinc/54/44/78/1071544478.db2.gz LIUFQLACIDACRI-AZUAARDMSA-N 1 0 498.569 3.943 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC)CC1 ZINC001313915140 1071549879 /nfs/dbraw/zinc/54/98/79/1071549879.db2.gz QAMVQHXJMHCZBH-QFIPXVFZSA-N 1 0 498.672 3.917 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313915239 1071550019 /nfs/dbraw/zinc/55/00/19/1071550019.db2.gz XBIRONJWBAACBI-XMMPIXPASA-N 1 0 466.674 3.746 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@@H+]2CCC[C@@H]2C)CC1=O ZINC001313916737 1071553532 /nfs/dbraw/zinc/55/35/32/1071553532.db2.gz JRKXZMPVPGZOTC-SFHVURJKSA-N 1 0 489.462 3.559 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313916498 1071553131 /nfs/dbraw/zinc/55/31/31/1071553131.db2.gz YGJDZVCSDJBIHX-DENIHFKCSA-N 1 0 473.584 3.972 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001315027540 1071554025 /nfs/dbraw/zinc/55/40/25/1071554025.db2.gz UDPOHJOLBHNXKM-IBGZPJMESA-N 1 0 490.439 3.912 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001315027806 1071554957 /nfs/dbraw/zinc/55/49/57/1071554957.db2.gz ABEBDXRWNQXNHZ-XMMPIXPASA-N 1 0 475.641 3.756 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313919381 1071556960 /nfs/dbraw/zinc/55/69/60/1071556960.db2.gz AKFCNJMGTPOGQG-RBUKOAKNSA-N 1 0 492.510 3.699 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313919516 1071557143 /nfs/dbraw/zinc/55/71/43/1071557143.db2.gz CFVCSPWFBNRKNZ-IBGZPJMESA-N 1 0 490.494 3.619 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001315029050 1071557444 /nfs/dbraw/zinc/55/74/44/1071557444.db2.gz PCZVNLNSPVFTAD-KRWDZBQOSA-N 1 0 458.676 3.721 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(Cc2ccsc2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001315030323 1071558929 /nfs/dbraw/zinc/55/89/29/1071558929.db2.gz IZKGWEKEPLSJOZ-UHFFFAOYSA-N 1 0 480.682 3.730 20 0 JHADRO CCN1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1=O ZINC001313921145 1071560636 /nfs/dbraw/zinc/56/06/36/1071560636.db2.gz KZMKEPOBZRFGQH-HSZRJFAPSA-N 1 0 496.681 3.897 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313920997 1071560743 /nfs/dbraw/zinc/56/07/43/1071560743.db2.gz NJDFCDYTRFCBTQ-IBGZPJMESA-N 1 0 484.670 3.686 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313921868 1071562410 /nfs/dbraw/zinc/56/24/10/1071562410.db2.gz TWYKYMCHMFJLRE-UGKGYDQZSA-N 1 0 461.054 3.659 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)CCc2ccccc2F)CC1 ZINC001313922515 1071565175 /nfs/dbraw/zinc/56/51/75/1071565175.db2.gz WWEINVAHTKVGRZ-LJQANCHMSA-N 1 0 454.594 3.691 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313922622 1071565082 /nfs/dbraw/zinc/56/50/82/1071565082.db2.gz XGXONQOEFBDBEF-NRFANRHFSA-N 1 0 484.689 3.861 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC[NH+]1CCCCC1 ZINC001315037343 1071570227 /nfs/dbraw/zinc/57/02/27/1071570227.db2.gz SRWMDJWXKZSISN-SFHVURJKSA-N 1 0 458.676 3.580 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001313923472 1071566752 /nfs/dbraw/zinc/56/67/52/1071566752.db2.gz NAQLXCJKHMIWEM-ISKFKSNPSA-N 1 0 481.689 3.798 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315037415 1071570280 /nfs/dbraw/zinc/57/02/80/1071570280.db2.gz VQQPQYZABXPYFR-QGZVFWFLSA-N 1 0 478.588 3.629 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001315034705 1071566919 /nfs/dbraw/zinc/56/69/19/1071566919.db2.gz KAHSFSRTRMBAIM-MBSDFSHPSA-N 1 0 482.654 3.671 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313923882 1071568122 /nfs/dbraw/zinc/56/81/22/1071568122.db2.gz ACCDKUHUNRFMDP-FCHUYYIVSA-N 1 0 484.689 3.861 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313923924 1071568798 /nfs/dbraw/zinc/56/87/98/1071568798.db2.gz BBEMCZAZJKPIDN-CTNGQTDRSA-N 1 0 458.651 3.656 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2ccccc2Br)CC1 ZINC001313924359 1071569562 /nfs/dbraw/zinc/56/95/62/1071569562.db2.gz DHSYXURHIQKXRW-LJQANCHMSA-N 1 0 498.473 3.765 20 0 JHADRO CNC(=O)CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315038939 1071571892 /nfs/dbraw/zinc/57/18/92/1071571892.db2.gz GDGRHKNMKDTGPO-IBVKSMDESA-N 1 0 470.662 3.557 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313925206 1071572585 /nfs/dbraw/zinc/57/25/85/1071572585.db2.gz MUOASVZMIZSAMQ-RBUKOAKNSA-N 1 0 461.054 3.628 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC[C@@H](COC)C2)CC1 ZINC001313926161 1071575401 /nfs/dbraw/zinc/57/54/01/1071575401.db2.gz AGRIWZBGVZXFCF-LOSJGSFVSA-N 1 0 498.716 3.753 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N(C)C2CCCCC2)CC1 ZINC001313926452 1071576209 /nfs/dbraw/zinc/57/62/09/1071576209.db2.gz CHLKTMYJESIWTO-HXUWFJFHSA-N 1 0 458.626 3.791 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001313927091 1071578699 /nfs/dbraw/zinc/57/86/99/1071578699.db2.gz ZYXCXLOBJJTDMN-HNNXBMFYSA-N 1 0 453.418 3.772 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313928121 1071582493 /nfs/dbraw/zinc/58/24/93/1071582493.db2.gz QLWCUWBLRYIMGQ-HXUWFJFHSA-N 1 0 458.626 3.649 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001313928103 1071582673 /nfs/dbraw/zinc/58/26/73/1071582673.db2.gz QEEITJHACSWUAC-ISKFKSNPSA-N 1 0 486.730 3.766 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313929334 1071586782 /nfs/dbraw/zinc/58/67/82/1071586782.db2.gz YZXTZTPODCCSEF-VQTJNVASSA-N 1 0 491.080 3.540 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313928898 1071585313 /nfs/dbraw/zinc/58/53/13/1071585313.db2.gz QEUKBOFUSAJWEP-RZUBCFFCSA-N 1 0 478.607 3.838 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001313929056 1071585852 /nfs/dbraw/zinc/58/58/52/1071585852.db2.gz XBNIGVNNRHMBQV-DYESRHJHSA-N 1 0 465.017 3.585 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3F)C[C@@H]2C)CC1 ZINC001313930140 1071588813 /nfs/dbraw/zinc/58/88/13/1071588813.db2.gz QCUDWVNPHMAUCP-VXKWHMMOSA-N 1 0 485.696 3.747 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2cccn2)C[C@@H]1C ZINC001313930392 1071589446 /nfs/dbraw/zinc/58/94/46/1071589446.db2.gz MFLKLTAJUYYSJY-OALUTQOASA-N 1 0 458.010 3.889 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313930500 1071589989 /nfs/dbraw/zinc/58/99/89/1071589989.db2.gz DRDSJRZAQHTOFB-OAHLLOKOSA-N 1 0 495.491 3.558 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2CCc2cc(Br)ccc2F)C[C@@H]1C ZINC001313930653 1071590433 /nfs/dbraw/zinc/59/04/33/1071590433.db2.gz NSMTYNSKCUNEHL-IRXDYDNUSA-N 1 0 498.441 3.677 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001313931532 1071592694 /nfs/dbraw/zinc/59/26/94/1071592694.db2.gz USXRZRKSGSCHOY-PGRDOPGGSA-N 1 0 479.044 3.975 20 0 JHADRO COC(=O)[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001315088105 1071593073 /nfs/dbraw/zinc/59/30/73/1071593073.db2.gz LEPLMKWWJQOCTL-KSSFIOAISA-N 1 0 496.837 3.701 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313931773 1071593611 /nfs/dbraw/zinc/59/36/11/1071593611.db2.gz ZRUGUIBBBRWNIC-VSKRKVRLSA-N 1 0 456.704 3.534 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)C)nnc3N3CCC[C@H](C(C)C)C3)cn2)CC1 ZINC001313931913 1071593927 /nfs/dbraw/zinc/59/39/27/1071593927.db2.gz DLFZALVTPZVUGU-QHCPKHFHSA-N 1 0 453.679 3.934 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(C)nnc3N(C)[C@H](C)c3ccc(F)c(F)c3)cn2)CC1 ZINC001313931961 1071593948 /nfs/dbraw/zinc/59/39/48/1071593948.db2.gz DYJNZRJKEUDUKF-QGZVFWFLSA-N 1 0 455.557 3.647 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(CSC)cc2)C[C@H]1C ZINC001313932014 1071594011 /nfs/dbraw/zinc/59/40/11/1071594011.db2.gz GWSZPWWCDCZLTI-CJFMBICVSA-N 1 0 473.687 3.760 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(F)cc(OC)c2)C[C@@H]1C ZINC001313932276 1071594818 /nfs/dbraw/zinc/59/48/18/1071594818.db2.gz HUIXLMHFWSUTHB-AWEZNQCLSA-N 1 0 477.382 3.762 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(N4CC=C(C(F)(F)F)CC4)nnc3C(C)(C)C)cn2)CC1 ZINC001313932095 1071594889 /nfs/dbraw/zinc/59/48/89/1071594889.db2.gz FWPNFEJBWASHCX-UHFFFAOYSA-N 1 0 477.579 3.860 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001313932538 1071595725 /nfs/dbraw/zinc/59/57/25/1071595725.db2.gz LGQPGBQAIRAAHI-OAHLLOKOSA-N 1 0 453.418 3.697 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccccc2C)C[C@H]1C ZINC001313933637 1071598608 /nfs/dbraw/zinc/59/86/08/1071598608.db2.gz LZHQAOLCMWCIOS-QGZVFWFLSA-N 1 0 473.419 3.954 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(-c4cccc(C)n4)nnc3N(C)CC(C)(C)C)cn2)CC1 ZINC001313933867 1071599897 /nfs/dbraw/zinc/59/98/97/1071599897.db2.gz NIRVRSYOLFCDGN-UHFFFAOYSA-N 1 0 462.646 3.716 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@](C)(O)c2ccco2)C[C@@H]1C ZINC001313933934 1071600518 /nfs/dbraw/zinc/60/05/18/1071600518.db2.gz PEIXKEZQBWQDPM-NYHFZMIOSA-N 1 0 492.393 3.878 20 0 JHADRO CCN(CC(C)C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001313934110 1071600957 /nfs/dbraw/zinc/60/09/57/1071600957.db2.gz OKCFOYPDPFJSMO-UHFFFAOYSA-N 1 0 482.702 3.701 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)C)nnc3N(C)C[C@@H](C)c3nccs3)cn2)CC1 ZINC001313934432 1071602351 /nfs/dbraw/zinc/60/23/51/1071602351.db2.gz RENWDXXGHQYARV-HXUWFJFHSA-N 1 0 482.702 3.758 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC=CCO2)C[C@@H]1C ZINC001313934698 1071603015 /nfs/dbraw/zinc/60/30/15/1071603015.db2.gz VBMYPVMXYRCYST-GJZGRUSLSA-N 1 0 452.422 3.645 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CC=CCO2)C[C@@H]1C ZINC001313934701 1071603024 /nfs/dbraw/zinc/60/30/24/1071603024.db2.gz VBMYPVMXYRCYST-LSDHHAIUSA-N 1 0 452.422 3.645 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCOC[C@H]2C)C[C@H]1C ZINC001313934504 1071603110 /nfs/dbraw/zinc/60/31/10/1071603110.db2.gz ASECRUFXBYQIQB-SJBKTWHCSA-N 1 0 471.646 3.944 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCCC(C)C)C[C@@H]1C ZINC001313935984 1071607908 /nfs/dbraw/zinc/60/79/08/1071607908.db2.gz AQTHVUFKTKTDPC-VXKWHMMOSA-N 1 0 492.709 3.986 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCCC(C)C)C[C@H]1C ZINC001313935985 1071607928 /nfs/dbraw/zinc/60/79/28/1071607928.db2.gz AQTHVUFKTKTDPC-YADHBBJMSA-N 1 0 492.709 3.986 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCC(F)(F)F)C[C@@H]1C ZINC001313938939 1071612890 /nfs/dbraw/zinc/61/28/90/1071612890.db2.gz YPWONNPKPXEZIX-MAUKXSAKSA-N 1 0 471.549 3.617 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccnc2OCC(F)F)C[C@H]1C ZINC001313939289 1071613306 /nfs/dbraw/zinc/61/33/06/1071613306.db2.gz QEYXQNSDNHLYOL-QGZVFWFLSA-N 1 0 472.540 3.571 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CCNc2ncc(Cl)cc2Cl)C[C@H]1C ZINC001313939667 1071613471 /nfs/dbraw/zinc/61/34/71/1071613471.db2.gz SHPUCUJWEXQSQD-OAHLLOKOSA-N 1 0 461.401 3.684 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)c2ccc(Cl)cc2)C[C@H]1C ZINC001313941171 1071616228 /nfs/dbraw/zinc/61/62/28/1071616228.db2.gz ACJDBQNIONMFRD-KNQAVFIVSA-N 1 0 472.037 3.711 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)c2ccc(Cl)cc2)C[C@H]1C ZINC001313941170 1071616275 /nfs/dbraw/zinc/61/62/75/1071616275.db2.gz ACJDBQNIONMFRD-DENIHFKCSA-N 1 0 472.037 3.711 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCOc2ncccc2F)C[C@H]1C ZINC001313941381 1071617162 /nfs/dbraw/zinc/61/71/62/1071617162.db2.gz CBWQSIGQKSANRY-HXUWFJFHSA-N 1 0 468.577 3.617 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC001313941502 1071617407 /nfs/dbraw/zinc/61/74/07/1071617407.db2.gz VSMHOEHOBWFEJM-HNNXBMFYSA-N 1 0 461.035 3.875 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)C)n3Cc3cccc(COCC(F)(F)F)c3)C2)CC1 ZINC001313941910 1071618272 /nfs/dbraw/zinc/61/82/72/1071618272.db2.gz BDUSMOUZWUUOSP-JOCHJYFZSA-N 1 0 494.606 3.745 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC001313942047 1071618774 /nfs/dbraw/zinc/61/87/74/1071618774.db2.gz HENNUWSUJHMQNC-QFIPXVFZSA-N 1 0 482.673 3.795 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2Cc2cc(C(C)(C)C)no2)C[C@@H]1C ZINC001313942028 1071618971 /nfs/dbraw/zinc/61/89/71/1071618971.db2.gz HCEFIULUWZMILA-IBGZPJMESA-N 1 0 452.603 3.764 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[C@H](OC)C(F)(F)F)C[C@H]1C ZINC001313942351 1071619584 /nfs/dbraw/zinc/61/95/84/1071619584.db2.gz PQZFXRAEESVDQF-XLIONFOSSA-N 1 0 477.535 3.629 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2ccn(C)n2)C[C@@H]1C ZINC001313943242 1071621955 /nfs/dbraw/zinc/62/19/55/1071621955.db2.gz QQBPRLIYIUYLPG-FQEVSTJZSA-N 1 0 465.646 3.661 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Sc2ccccc2)C[C@@H]1C ZINC001313943069 1071621986 /nfs/dbraw/zinc/62/19/86/1071621986.db2.gz PDHIQQCMKYALEP-SFTDATJTSA-N 1 0 453.660 3.851 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001313943442 1071622709 /nfs/dbraw/zinc/62/27/09/1071622709.db2.gz SIARAINFYFWXHR-AVRDEDQJSA-N 1 0 469.584 3.760 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOC(C)(C)C)C2)CC1 ZINC001313944958 1071625662 /nfs/dbraw/zinc/62/56/62/1071625662.db2.gz KORBTBNCZFMSLP-LJQANCHMSA-N 1 0 479.044 3.769 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[N@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC001313946399 1071628519 /nfs/dbraw/zinc/62/85/19/1071628519.db2.gz RKGYRVBLFKSWGF-WIOPSUGQSA-N 1 0 461.658 3.877 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3sccc3Br)C2)CC1 ZINC001313946932 1071630504 /nfs/dbraw/zinc/63/05/04/1071630504.db2.gz IAHWOSBKHUKOEA-QGZVFWFLSA-N 1 0 481.508 3.565 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2CC(F)(F)Br)C[C@@H]1C ZINC001313946819 1071630583 /nfs/dbraw/zinc/63/05/83/1071630583.db2.gz CNIBCHHOYMNPJC-ZDUSSCGKSA-N 1 0 462.314 3.514 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3CCC=C(C)C)C2)CC1 ZINC001313947567 1071632317 /nfs/dbraw/zinc/63/23/17/1071632317.db2.gz BFZXCRZHOGMWPF-HXUWFJFHSA-N 1 0 458.601 3.720 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CC(C)(C)c3cccc(F)c3)C2)CC1 ZINC001313948922 1071634596 /nfs/dbraw/zinc/63/45/96/1071634596.db2.gz USZDWEVJLLPDTL-QHCPKHFHSA-N 1 0 456.654 3.810 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3cc(Br)cs3)C2)CC1 ZINC001313949202 1071635897 /nfs/dbraw/zinc/63/58/97/1071635897.db2.gz WLUWPPOHOBRBOG-GOSISDBHSA-N 1 0 481.508 3.565 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313950433 1071638058 /nfs/dbraw/zinc/63/80/58/1071638058.db2.gz VUOSXLNSZTYEDN-KKLQWCBXSA-N 1 0 471.646 3.793 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313950442 1071638115 /nfs/dbraw/zinc/63/81/15/1071638115.db2.gz PHYLZGJCAMTKJC-IEBWSBKVSA-N 1 0 468.568 3.899 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3C)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001313951580 1071642288 /nfs/dbraw/zinc/64/22/88/1071642288.db2.gz VEXYMWODMBBYPE-IBGZPJMESA-N 1 0 485.080 3.550 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCCCC2)CC1 ZINC001313952542 1071645732 /nfs/dbraw/zinc/64/57/32/1071645732.db2.gz ROSJWOZMNDWMSK-DNVJHFABSA-N 1 0 460.711 3.851 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCCO[C@H](c4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313952526 1071645918 /nfs/dbraw/zinc/64/59/18/1071645918.db2.gz RJRQOGDGHNKMQM-UPVQGACJSA-N 1 0 468.690 3.817 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313952904 1071647045 /nfs/dbraw/zinc/64/70/45/1071647045.db2.gz UVVNRCJCNSHZDK-RTWAWAEBSA-N 1 0 491.080 3.714 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(CC(C)C)C(C)C)CC1 ZINC001313954312 1071651264 /nfs/dbraw/zinc/65/12/64/1071651264.db2.gz NTXYUGFCYPPXCW-OAQYLSRUSA-N 1 0 494.688 3.738 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001313955848 1071656713 /nfs/dbraw/zinc/65/67/13/1071656713.db2.gz IVADBBOSSQYSPO-PCCBWWKXSA-N 1 0 474.644 3.903 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313954757 1071652858 /nfs/dbraw/zinc/65/28/58/1071652858.db2.gz CIVMRNASBSYPQD-OAQYLSRUSA-N 1 0 482.076 3.827 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313955050 1071654120 /nfs/dbraw/zinc/65/41/20/1071654120.db2.gz DTOWZLMPBFKJFQ-CTNGQTDRSA-N 1 0 478.607 3.763 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCOC[C@H]2C)CC1 ZINC001313955168 1071654807 /nfs/dbraw/zinc/65/48/07/1071654807.db2.gz TVVFWZUFZDIVSF-GOSISDBHSA-N 1 0 481.472 3.895 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313955396 1071655494 /nfs/dbraw/zinc/65/54/94/1071655494.db2.gz GMWBNFMIQJILHK-QHCPKHFHSA-N 1 0 452.691 3.963 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001313955598 1071656254 /nfs/dbraw/zinc/65/62/54/1071656254.db2.gz TUYZQVVSYZXYIY-NRFANRHFSA-N 1 0 465.621 3.779 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313955912 1071656597 /nfs/dbraw/zinc/65/65/97/1071656597.db2.gz VXTZBLDSUAGGER-GOSISDBHSA-N 1 0 474.028 3.976 20 0 JHADRO CCN(c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1CCN(CC)CC1)C1CC1 ZINC001313957997 1071662471 /nfs/dbraw/zinc/66/24/71/1071662471.db2.gz MGUJTWUXBJYHBA-UHFFFAOYSA-N 1 0 467.481 3.785 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313957248 1071659446 /nfs/dbraw/zinc/65/94/46/1071659446.db2.gz PYRZAQPIAZCPJO-VXKWHMMOSA-N 1 0 490.643 3.921 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313957753 1071661118 /nfs/dbraw/zinc/66/11/18/1071661118.db2.gz ZAZANRWUVYAQRS-QFIPXVFZSA-N 1 0 479.044 3.976 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313957912 1071661872 /nfs/dbraw/zinc/66/18/72/1071661872.db2.gz SALCCVMVKCKIPA-ZEQRLZLVSA-N 1 0 498.716 3.788 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313957849 1071661889 /nfs/dbraw/zinc/66/18/89/1071661889.db2.gz KXFSAFJEUMJGLF-UHFFFAOYSA-N 1 0 452.981 3.862 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313957910 1071661908 /nfs/dbraw/zinc/66/19/08/1071661908.db2.gz SALCCVMVKCKIPA-DNQXCXABSA-N 1 0 498.716 3.788 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313957938 1071661927 /nfs/dbraw/zinc/66/19/27/1071661927.db2.gz SKKQYDTUBHQTDX-XUVXKRRUSA-N 1 0 460.617 3.513 20 0 JHADRO CCn1nc(-c2nnc(N(C)CC(C)C)n2C[C@H](C)C[NH+]2CCCCC2)c2ccccc2c1=O ZINC001313958457 1071664062 /nfs/dbraw/zinc/66/40/62/1071664062.db2.gz CETHZOFLAMIQKL-HXUWFJFHSA-N 1 0 465.646 3.889 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313958757 1071664658 /nfs/dbraw/zinc/66/46/58/1071664658.db2.gz XXELOMDIZNORMD-SLFFLAALSA-N 1 0 480.673 3.932 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cc(F)ccc3Br)nnc2N2CC=CCC2)CC1 ZINC001313960060 1071668650 /nfs/dbraw/zinc/66/86/50/1071668650.db2.gz GAZDWQKRGQVJPW-UHFFFAOYSA-N 1 0 477.426 3.641 20 0 JHADRO CCn1nc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CC[NH+](C(C)C)C(C)C)c2ccccc2c1=O ZINC001313960271 1071669714 /nfs/dbraw/zinc/66/97/14/1071669714.db2.gz HZBRAFYCAQIOTH-NRFANRHFSA-N 1 0 495.672 3.657 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313960329 1071669854 /nfs/dbraw/zinc/66/98/54/1071669854.db2.gz IURYOEAQAFYHNL-RTWAWAEBSA-N 1 0 458.626 3.821 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001313960538 1071669909 /nfs/dbraw/zinc/66/99/09/1071669909.db2.gz KLYVRGDVCFNBNB-LADGPHEKSA-N 1 0 484.689 3.678 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001313963190 1071677105 /nfs/dbraw/zinc/67/71/05/1071677105.db2.gz KSEUMFGCXOSKFI-VXKWHMMOSA-N 1 0 452.647 3.657 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001313963191 1071677128 /nfs/dbraw/zinc/67/71/28/1071677128.db2.gz KSEUMFGCXOSKFI-YADHBBJMSA-N 1 0 452.647 3.657 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001313968982 1071693223 /nfs/dbraw/zinc/69/32/23/1071693223.db2.gz HAXAWJYYVNZYQA-HXUWFJFHSA-N 1 0 452.647 3.809 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313971864 1071697097 /nfs/dbraw/zinc/69/70/97/1071697097.db2.gz PVQBAZZEJZZCAT-HXUWFJFHSA-N 1 0 469.678 3.916 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313993450 1071727813 /nfs/dbraw/zinc/72/78/13/1071727813.db2.gz HLUXEQYPIOHZRR-SFHVURJKSA-N 1 0 492.043 3.854 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001313993942 1071728527 /nfs/dbraw/zinc/72/85/27/1071728527.db2.gz LBLBBPWVSTVUDG-HXUWFJFHSA-N 1 0 469.678 3.824 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313999728 1071736943 /nfs/dbraw/zinc/73/69/43/1071736943.db2.gz ANEGNCKEJGYKNK-GOTSBHOMSA-N 1 0 495.716 3.671 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001313996304 1071733083 /nfs/dbraw/zinc/73/30/83/1071733083.db2.gz LWKNKYJEWBJFDC-HXUWFJFHSA-N 1 0 459.664 3.542 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001314004225 1071740861 /nfs/dbraw/zinc/74/08/61/1071740861.db2.gz FINSXWIBVKWPCF-QFIPXVFZSA-N 1 0 499.729 3.852 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001314014252 1071753128 /nfs/dbraw/zinc/75/31/28/1071753128.db2.gz PGWKGISXJRHCRV-JOCHJYFZSA-N 1 0 469.634 3.518 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001314014896 1071755809 /nfs/dbraw/zinc/75/58/09/1071755809.db2.gz YSRQPOWHUZTZEY-UHFFFAOYSA-N 1 0 469.634 3.519 20 0 JHADRO 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CCc1ccccc1OCc1nnc(N2CC[NH+](CC(C)C)CC2)n1CCC(=O)N1CCCCC1 ZINC001305985389 1068334882 /nfs/dbraw/zinc/33/48/82/1068334882.db2.gz JBCFHSKQJGEUAD-UHFFFAOYSA-N 1 0 482.673 3.600 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1nccn1C(F)F ZINC001305985597 1068336194 /nfs/dbraw/zinc/33/61/94/1068336194.db2.gz WNCQCEOTLPLCJF-MSOLQXFVSA-N 1 0 473.572 3.978 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1Cc1c(C)coc1C ZINC001305988064 1068343163 /nfs/dbraw/zinc/34/31/63/1068343163.db2.gz JLGOTQXQRKKNMT-FQEVSTJZSA-N 1 0 467.614 3.835 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305991051 1068351514 /nfs/dbraw/zinc/35/15/14/1068351514.db2.gz VQZDDSIMAQWBLN-SJBKTWHCSA-N 1 0 473.687 3.597 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305991049 1068351707 /nfs/dbraw/zinc/35/17/07/1068351707.db2.gz VQZDDSIMAQWBLN-KCZVDYSFSA-N 1 0 473.687 3.597 20 0 JHADRO CCc1cnc(CN(C)c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N2CC[NH+](CC)CC2)s1 ZINC001305995580 1068358828 /nfs/dbraw/zinc/35/88/28/1068358828.db2.gz LOKDROHMTATOHE-LJQANCHMSA-N 1 0 483.686 3.635 20 0 JHADRO CCc1csc([C@@H]2CCCN(c3nnc(C(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)C2)n1 ZINC001305998779 1068367128 /nfs/dbraw/zinc/36/71/28/1068367128.db2.gz KBVKIDMWQGSJBU-LJQANCHMSA-N 1 0 459.708 3.830 20 0 JHADRO CCc1csc([C@H]2CCCN(c3nnc(CC(C)C)n3C[C@H](C)N3CC[NH+](CC)CC3)C2)n1 ZINC001306001121 1068373015 /nfs/dbraw/zinc/37/30/15/1068373015.db2.gz OKQCAIHWKXEZRB-SFTDATJTSA-N 1 0 473.735 3.906 20 0 JHADRO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+](C(C)C)C(C)C)s1 ZINC001306004533 1068381130 /nfs/dbraw/zinc/38/11/30/1068381130.db2.gz DYPQWXPSGOMKLN-RBUKOAKNSA-N 1 0 496.747 3.824 20 0 JHADRO CCc1nc(C)c(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[NH+](CC(C)C)CC2)o1 ZINC001306006549 1068385600 /nfs/dbraw/zinc/38/56/00/1068385600.db2.gz WZXIPMLURNVCHI-UHFFFAOYSA-N 1 0 468.602 3.647 20 0 JHADRO 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CCc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306082377 1068512142 /nfs/dbraw/zinc/51/21/42/1068512142.db2.gz VBZQVPBFVBSIIK-IRXDYDNUSA-N 1 0 455.573 3.987 20 0 JHADRO CCc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306090101 1068514471 /nfs/dbraw/zinc/51/44/71/1068514471.db2.gz HOGUMYKVGSCOAA-LADGPHEKSA-N 1 0 455.647 3.680 20 0 JHADRO CCc1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001306092649 1068516009 /nfs/dbraw/zinc/51/60/09/1068516009.db2.gz UJNDBCUGMGYSRM-IRLDBZIGSA-N 1 0 470.662 3.960 20 0 JHADRO CCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001306114246 1068523265 /nfs/dbraw/zinc/52/32/65/1068523265.db2.gz YCGNJOXMTNOSJL-FFZOFVMBSA-N 1 0 467.536 3.842 20 0 JHADRO CCc1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001306115062 1068523627 /nfs/dbraw/zinc/52/36/27/1068523627.db2.gz OBIGPBYDOBDIBA-UHFFFAOYSA-N 1 0 459.635 3.906 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001306117031 1068524207 /nfs/dbraw/zinc/52/42/07/1068524207.db2.gz AYYDBEHNNFTDMR-YADHBBJMSA-N 1 0 458.695 3.828 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001306118683 1068526144 /nfs/dbraw/zinc/52/61/44/1068526144.db2.gz UGKXCOMWTKEASK-UHFFFAOYSA-N 1 0 458.695 3.972 20 0 JHADRO CCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001306119194 1068527047 /nfs/dbraw/zinc/52/70/47/1068527047.db2.gz WILWDQSUYYVCQR-HXUWFJFHSA-N 1 0 453.635 3.519 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001306121219 1068530012 /nfs/dbraw/zinc/53/00/12/1068530012.db2.gz VYUSCOBHICTKNR-FQEVSTJZSA-N 1 0 470.637 3.602 20 0 JHADRO CCc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001306125183 1068532723 /nfs/dbraw/zinc/53/27/23/1068532723.db2.gz UKEMCKKPPQKIRM-QFIPXVFZSA-N 1 0 462.038 3.555 20 0 JHADRO CCc1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001306132264 1068535057 /nfs/dbraw/zinc/53/50/57/1068535057.db2.gz CNYSVMMIMIFHAX-PXNSSMCTSA-N 1 0 470.559 3.993 20 0 JHADRO CCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001306135496 1068538320 /nfs/dbraw/zinc/53/83/20/1068538320.db2.gz WXVQMRVBCHUEAY-LJQANCHMSA-N 1 0 453.697 3.535 20 0 JHADRO CCc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1C[C@@H](C)Oc1ccccc1C ZINC001306135036 1068538351 /nfs/dbraw/zinc/53/83/51/1068538351.db2.gz XEYLVMYFMJGITM-JOCHJYFZSA-N 1 0 455.647 3.945 20 0 JHADRO CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H](C)Oc1ccccc1F ZINC001306135669 1068538936 /nfs/dbraw/zinc/53/89/36/1068538936.db2.gz CQHNXWBCHDPPBN-ZCNNSNEGSA-N 1 0 459.610 3.773 20 0 JHADRO CCc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001306137271 1068540014 /nfs/dbraw/zinc/54/00/14/1068540014.db2.gz YISONFIGHHFHBF-OAQYLSRUSA-N 1 0 453.635 3.731 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1CCCCC[NH+]1CCCC1 ZINC001306140969 1068542384 /nfs/dbraw/zinc/54/23/84/1068542384.db2.gz AGCDHXRGLACAKJ-UHFFFAOYSA-N 1 0 458.676 3.875 20 0 JHADRO CCc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001306143431 1068545238 /nfs/dbraw/zinc/54/52/38/1068545238.db2.gz IQCOGPVUWLSMSP-SFHVURJKSA-N 1 0 485.530 3.654 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001306144872 1068547476 /nfs/dbraw/zinc/54/74/76/1068547476.db2.gz YSJJOWOYZYRDRC-IBGZPJMESA-N 1 0 466.655 3.821 20 0 JHADRO CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001306149925 1068551905 /nfs/dbraw/zinc/55/19/05/1068551905.db2.gz STPJHTNQJBTYRQ-UHFFFAOYSA-N 1 0 481.563 3.997 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001306164266 1068559487 /nfs/dbraw/zinc/55/94/87/1068559487.db2.gz GWDUGUZJWCOZQX-SFTDATJTSA-N 1 0 462.683 3.950 20 0 JHADRO CCc1nnc(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001306165798 1068561564 /nfs/dbraw/zinc/56/15/64/1068561564.db2.gz KKEOGTHXNBBYLS-LEWJYISDSA-N 1 0 455.651 3.917 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001306178687 1068567929 /nfs/dbraw/zinc/56/79/29/1068567929.db2.gz CPTPYRDLCGBRSQ-NRFANRHFSA-N 1 0 452.647 3.704 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306178967 1068568736 /nfs/dbraw/zinc/56/87/36/1068568736.db2.gz HXVQPBOERNWRLW-UXHICEINSA-N 1 0 473.065 3.967 20 0 JHADRO CCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1Cc1ccc(N(CC)CC)nc1 ZINC001306181150 1068573270 /nfs/dbraw/zinc/57/32/70/1068573270.db2.gz URQPFTZVJIXHQF-UHFFFAOYSA-N 1 0 465.621 3.981 20 0 JHADRO CCc1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001306188018 1068579767 /nfs/dbraw/zinc/57/97/67/1068579767.db2.gz WVAGMQYLJRGJAP-ISKFKSNPSA-N 1 0 481.689 3.725 20 0 JHADRO CCc1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001306193122 1068583647 /nfs/dbraw/zinc/58/36/47/1068583647.db2.gz DAMKRVSQEZTNRX-FQEVSTJZSA-N 1 0 458.626 3.827 20 0 JHADRO CCc1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306192732 1068583753 /nfs/dbraw/zinc/58/37/53/1068583753.db2.gz CTBBZOAOCHPKLY-CLOONOSVSA-N 1 0 458.626 3.825 20 0 JHADRO CCc1nnc(N2CCN(c3ccc(C(C)=O)cc3F)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001306195587 1068587218 /nfs/dbraw/zinc/58/72/18/1068587218.db2.gz FCJSEVJOESHCAK-IBGZPJMESA-N 1 0 456.610 3.773 20 0 JHADRO CCc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001306196164 1068588151 /nfs/dbraw/zinc/58/81/51/1068588151.db2.gz XQYZQORNEJHRIG-SFTDATJTSA-N 1 0 472.682 3.885 20 0 JHADRO CCc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001306196163 1068588275 /nfs/dbraw/zinc/58/82/75/1068588275.db2.gz XQYZQORNEJHRIG-RTWAWAEBSA-N 1 0 472.682 3.885 20 0 JHADRO CCc1nnc(N2CCN(c3nc(C)cs3)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001306197683 1068590093 /nfs/dbraw/zinc/59/00/93/1068590093.db2.gz BQTNQTQQZSGQOH-FQEVSTJZSA-N 1 0 453.660 3.843 20 0 JHADRO CCc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001306198051 1068590567 /nfs/dbraw/zinc/59/05/67/1068590567.db2.gz HABAXZAJJZPTOW-UHFFFAOYSA-N 1 0 452.434 3.743 20 0 JHADRO CCc1nnc(N2CCN(c3ccccc3OC)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001306198684 1068591099 /nfs/dbraw/zinc/59/10/99/1068591099.db2.gz OISQZIYXLNSNLT-UHFFFAOYSA-N 1 0 454.663 3.934 20 0 JHADRO CCc1nnc(N2CCN(Cc3ccccc3OC)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001306205091 1068594873 /nfs/dbraw/zinc/59/48/73/1068594873.db2.gz DCLVQOAHBVUKMF-JOCHJYFZSA-N 1 0 454.663 3.826 20 0 JHADRO CCc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001306207754 1068599000 /nfs/dbraw/zinc/59/90/00/1068599000.db2.gz QBJPVBNFEXUZTO-UHFFFAOYSA-N 1 0 474.597 3.734 20 0 JHADRO CCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCCOc1ccccc1C ZINC001306208732 1068599746 /nfs/dbraw/zinc/59/97/46/1068599746.db2.gz GSSPANWULWAFMJ-DHIUTWEWSA-N 1 0 454.663 3.613 20 0 JHADRO CCc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001306210872 1068601545 /nfs/dbraw/zinc/60/15/45/1068601545.db2.gz YPHYZKCSVQORBL-UHFFFAOYSA-N 1 0 494.484 3.588 20 0 JHADRO CCc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001306213888 1068601959 /nfs/dbraw/zinc/60/19/59/1068601959.db2.gz YAKMUWKOCBBGNA-UHFFFAOYSA-N 1 0 461.536 3.965 20 0 JHADRO CCc1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001306219174 1068606804 /nfs/dbraw/zinc/60/68/04/1068606804.db2.gz CIPSKYIYWXMZPH-PKOBYXMFSA-N 1 0 457.579 3.601 20 0 JHADRO CCc1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306227730 1068612496 /nfs/dbraw/zinc/61/24/96/1068612496.db2.gz MAAQJXOMKAIMQJ-XSDIEEQYSA-N 1 0 474.694 3.900 20 0 JHADRO CCc1nsc(N2CCN(c3nnc([C@H](C)CC)n3CC[C@@H](C)[NH+]3CCCCC3)CC2)n1 ZINC001306240231 1068638608 /nfs/dbraw/zinc/63/86/08/1068638608.db2.gz LEKPWPWJKUKNJI-RTBURBONSA-N 1 0 460.696 3.797 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306246134 1068653389 /nfs/dbraw/zinc/65/33/89/1068653389.db2.gz RGYZHVLPDFHLOK-GQIGUUNPSA-N 1 0 463.001 3.573 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001306246593 1068654088 /nfs/dbraw/zinc/65/40/88/1068654088.db2.gz VBGYCWNXYGYEBF-OXJNMPFZSA-N 1 0 477.028 3.963 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001306246812 1068654665 /nfs/dbraw/zinc/65/46/65/1068654665.db2.gz IUFJNPBJMWFTNN-PXNSSMCTSA-N 1 0 476.572 3.526 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[NH+]1CCCCCC1 ZINC001306247391 1068656549 /nfs/dbraw/zinc/65/65/49/1068656549.db2.gz YPKPABZJLKOZLP-WIYYLYMNSA-N 1 0 475.037 3.662 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCC[NH+]1CCC(C)CC1 ZINC001306259982 1068668793 /nfs/dbraw/zinc/66/87/93/1068668793.db2.gz JDLUZFWFPOTUEB-XMMPIXPASA-N 1 0 482.673 3.701 20 0 JHADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001306260755 1068669990 /nfs/dbraw/zinc/66/99/90/1068669990.db2.gz QIBOEMOPMBENDB-NZQKXSOJSA-N 1 0 468.646 3.564 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001306262413 1068672708 /nfs/dbraw/zinc/67/27/08/1068672708.db2.gz XIQDCTXICPOVSS-NHCUHLMSSA-N 1 0 482.654 3.553 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001306263131 1068675254 /nfs/dbraw/zinc/67/52/54/1068675254.db2.gz WFCLOKQCKJITRB-OHUMZHCVSA-N 1 0 488.702 3.659 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccccc2Br)n1CCOCC[NH+](C)C ZINC001306268865 1068682582 /nfs/dbraw/zinc/68/25/82/1068682582.db2.gz JLFOBKVQFQYXRZ-VQIMIIECSA-N 1 0 450.425 3.911 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccccc2OC)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001306279749 1068694722 /nfs/dbraw/zinc/69/47/22/1068694722.db2.gz POFXKJXULQBMPH-BHIFYINESA-N 1 0 470.662 3.517 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001306282097 1068699288 /nfs/dbraw/zinc/69/92/88/1068699288.db2.gz VWZIMLROAXWTQD-KURKYZTESA-N 1 0 456.616 3.790 20 0 JHADRO CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001306297084 1068714777 /nfs/dbraw/zinc/71/47/77/1068714777.db2.gz MSWHBNXUZJBXKR-JDRJUVJTSA-N 1 0 455.647 3.846 20 0 JHADRO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001306308175 1068726951 /nfs/dbraw/zinc/72/69/51/1068726951.db2.gz GXNSUCFTOSURHZ-QHCPKHFHSA-N 1 0 457.640 3.530 20 0 JHADRO CC[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001306310600 1068729041 /nfs/dbraw/zinc/72/90/41/1068729041.db2.gz FURQEWZWPDSORP-NHCUHLMSSA-N 1 0 456.635 3.663 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306316269 1068735707 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CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306520093 1069138807 /nfs/dbraw/zinc/13/88/07/1069138807.db2.gz SMTCGLCFGFSAHX-TZIWHRDSSA-N 1 0 456.635 3.711 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001306520651 1069141684 /nfs/dbraw/zinc/14/16/84/1069141684.db2.gz NRMUAUKJFFJUOX-YADHBBJMSA-N 1 0 467.662 3.656 20 0 JHADRO Cc1nc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)sc1Cc1cccc(Cl)c1F ZINC001310740971 1069144062 /nfs/dbraw/zinc/14/40/62/1069144062.db2.gz AMYSVKSPDGIRTD-SJORKVTESA-N 1 0 452.983 3.898 20 0 JHADRO C[C@H]1CN(C(=O)Nc2cc(N3CCOCC3)ccc2Br)CC[N@@H+](C2CCC2)C1 ZINC001310743023 1069145792 /nfs/dbraw/zinc/14/57/92/1069145792.db2.gz GRNHINQTQLOURW-MRXNPFEDSA-N 1 0 451.409 3.624 20 0 JHADRO COc1cc(I)ccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC001310788366 1069162820 /nfs/dbraw/zinc/16/28/20/1069162820.db2.gz XAHGGZNADMIESX-INIZCTEOSA-N 1 0 457.287 3.863 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001306529394 1069163876 /nfs/dbraw/zinc/16/38/76/1069163876.db2.gz JBRUFFMCISXNDP-HFZDXXHNSA-N 1 0 471.646 3.967 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001306529708 1069165698 /nfs/dbraw/zinc/16/56/98/1069165698.db2.gz KOEIDSCALDDIHW-SANMLTNESA-N 1 0 471.646 3.968 20 0 JHADRO CCC[C@@](C)(O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306530380 1069169461 /nfs/dbraw/zinc/16/94/61/1069169461.db2.gz WORJQTNQWBYPDS-AJTFRIOCSA-N 1 0 485.673 3.887 20 0 JHADRO CCC[C@@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001306531387 1069172238 /nfs/dbraw/zinc/17/22/38/1069172238.db2.gz ZMOWRLYASXPAOL-RXFWQSSRSA-N 1 0 489.636 3.657 20 0 JHADRO C[NH+](C)CCn1nccc1NC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001310816683 1069176088 /nfs/dbraw/zinc/17/60/88/1069176088.db2.gz RLRGMYFPFJWLNL-JOCHJYFZSA-N 1 0 455.946 3.780 20 0 JHADRO COc1ccc(Sc2nsc(NC(=O)NCc3ccc(OCC[NH+](C)C)cc3)n2)cc1 ZINC001310826444 1069180500 /nfs/dbraw/zinc/18/05/00/1069180500.db2.gz IZFPBXIWOKTGCZ-UHFFFAOYSA-N 1 0 459.597 3.960 20 0 JHADRO Cn1c(=O)oc2cc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)c(F)cc21 ZINC001310860651 1069197416 /nfs/dbraw/zinc/19/74/16/1069197416.db2.gz VEPUFJISOVTOMM-CQSZACIVSA-N 1 0 452.408 3.685 20 0 JHADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)C[C@H]1C ZINC001310874223 1069202073 /nfs/dbraw/zinc/20/20/73/1069202073.db2.gz FCTFKEDMCNTTQP-HUUCEWRRSA-N 1 0 457.388 3.761 20 0 JHADRO COc1cc(NC(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)ccc1OCC[NH+](C)C ZINC001310890888 1069211711 /nfs/dbraw/zinc/21/17/11/1069211711.db2.gz MHDSVTLHJVOEBS-XDHUDOTRSA-N 1 0 462.591 3.547 20 0 JHADRO CCOC(=O)c1nc2ccccn2c1NC(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC001310903806 1069217087 /nfs/dbraw/zinc/21/70/87/1069217087.db2.gz GNVPEQDQNSNCFL-LJQANCHMSA-N 1 0 453.543 3.724 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CC[NH+](C)CC1 ZINC001306555721 1069223239 /nfs/dbraw/zinc/22/32/39/1069223239.db2.gz MYTHGWKRXNNREB-SFHVURJKSA-N 1 0 459.664 3.625 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001306558945 1069228849 /nfs/dbraw/zinc/22/88/49/1069228849.db2.gz JSRBARVJGJYRHW-KNQAVFIVSA-N 1 0 451.623 3.668 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306570186 1069237565 /nfs/dbraw/zinc/23/75/65/1069237565.db2.gz RMOAEAZUXMSLBY-NJYVYQBISA-N 1 0 495.672 3.564 20 0 JHADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001306586965 1069254277 /nfs/dbraw/zinc/25/42/77/1069254277.db2.gz SYEYTYKWDCYCRW-FDFHNCONSA-N 1 0 474.694 3.915 20 0 JHADRO O=C(NCCC[NH+]1CCCC1)Nc1cc(Br)cc(I)c1 ZINC001311049400 1069257771 /nfs/dbraw/zinc/25/77/71/1069257771.db2.gz BVLXDCQWVZXDNS-UHFFFAOYSA-N 1 0 452.134 3.661 20 0 JHADRO CN(C)c1ccc(NC(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC001311141049 1069282478 /nfs/dbraw/zinc/28/24/78/1069282478.db2.gz VTILHJJCDLILPN-UHFFFAOYSA-N 1 0 451.587 3.736 20 0 JHADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2cc(Br)ccc2C(C)(C)C)CC1 ZINC001311152261 1069284946 /nfs/dbraw/zinc/28/49/46/1069284946.db2.gz OXAOBUPSYWQQOU-UHFFFAOYSA-N 1 0 453.425 3.668 20 0 JHADRO CCCc1nc(C)c(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)o1 ZINC001306609328 1069285372 /nfs/dbraw/zinc/28/53/72/1069285372.db2.gz NQYRCNRBNSAWCD-HXUWFJFHSA-N 1 0 493.656 3.814 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC001311162336 1069286489 /nfs/dbraw/zinc/28/64/89/1069286489.db2.gz CCLILSLCBCGINY-KNQAVFIVSA-N 1 0 457.619 3.740 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001306615630 1069296207 /nfs/dbraw/zinc/29/62/07/1069296207.db2.gz BNUXSKRUDPBZGJ-SFHVURJKSA-N 1 0 465.440 3.917 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001306616448 1069297785 /nfs/dbraw/zinc/29/77/85/1069297785.db2.gz GRNWCQWAEMKHDQ-NRFANRHFSA-N 1 0 492.615 3.578 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001306616789 1069298870 /nfs/dbraw/zinc/29/88/70/1069298870.db2.gz JIUVDZDCSACYGH-ZIFCJYIRSA-N 1 0 495.466 3.540 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C(C)C)n2Cc2cccc3c2OCCCO3)CC[N@@H+]1CCOC ZINC001306620361 1069306480 /nfs/dbraw/zinc/30/64/80/1069306480.db2.gz YIQOOWIVZSSJSS-OAQYLSRUSA-N 1 0 457.619 3.548 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(F)c(F)c2)CC[N@@H+]1CCOC ZINC001306620914 1069308284 /nfs/dbraw/zinc/30/82/84/1069308284.db2.gz KVIZUJSKIJSXNQ-FQEVSTJZSA-N 1 0 456.541 3.604 20 0 JHADRO O=C(c1cccnc1N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F)N1CCN(Cc2ccccc2)CC1 ZINC001164387323 718815022 /nfs/dbraw/zinc/81/50/22/718815022.db2.gz FRSFXVIFFBWIHP-XMMPIXPASA-N 1 0 487.570 3.550 20 0 JHADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H]4COC[C@H]4C3)c21 ZINC001164387195 718818505 /nfs/dbraw/zinc/81/85/05/718818505.db2.gz DZZCKMPFGKLRSL-RTBURBONSA-N 1 0 453.970 3.869 20 0 JHADRO O=S(=O)(Nc1nc2ccccc2nc1Cl)c1cccc(C(F)(F)N2CCC[C@@H]3[NH2+]C[C@@H]32)c1 ZINC001164447621 719000849 /nfs/dbraw/zinc/00/08/49/719000849.db2.gz CUYIMMBPSZJXHG-ROUUACIJSA-N 1 0 479.940 3.570 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164614941 719010107 /nfs/dbraw/zinc/01/01/07/719010107.db2.gz GXUYAUKCWSUWBN-YJYMSZOUSA-N 1 0 463.356 3.564 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164617379 719011653 /nfs/dbraw/zinc/01/16/53/719011653.db2.gz NSOPPLHNROLCFC-IERDGZPVSA-N 1 0 486.947 3.521 20 0 JHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164615194 719015458 /nfs/dbraw/zinc/01/54/58/719015458.db2.gz HKXMSNAYSNXSFQ-NFMODRRSSA-N 1 0 465.715 3.865 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4nc3N3CCCCC3)CC2)CC1 ZINC001164617803 719031472 /nfs/dbraw/zinc/03/14/72/719031472.db2.gz PCGNWGVUULYMBS-UHFFFAOYSA-N 1 0 451.615 3.864 20 0 JHADRO O=C(c1cccnc1N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC001164619282 719046924 /nfs/dbraw/zinc/04/69/24/719046924.db2.gz CHNXGWHOXJJHNS-BHBYDHKZSA-N 1 0 481.644 3.623 20 0 JHADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(CN2CCC(C)CC2)nc2scc(-c3cccs3)c21 ZINC001164631782 719136038 /nfs/dbraw/zinc/13/60/38/719136038.db2.gz ONHNRSJCDSHBIR-KRWDZBQOSA-N 1 0 471.652 3.603 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(C[C@H](CNc4ccc(C)nn4)CO3)C2)nc1 ZINC001164638261 719266538 /nfs/dbraw/zinc/26/65/38/719266538.db2.gz ODYWTLSVRXFYAT-LSCGWGKXSA-N 1 0 480.657 3.841 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)c3cnoc3C)C2)nc1 ZINC001164655298 719320986 /nfs/dbraw/zinc/32/09/86/719320986.db2.gz VXQUODJMQONMRD-ITAIVJFTSA-N 1 0 467.614 3.729 20 0 JHADRO CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164673683 719440932 /nfs/dbraw/zinc/44/09/32/719440932.db2.gz TXDGMLXPVZTACC-ROUUACIJSA-N 1 0 484.647 3.988 20 0 JHADRO C[N@@H+]1CCO[C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5cccs5)c43)C[C@H]21 ZINC001164668710 719443889 /nfs/dbraw/zinc/44/38/89/719443889.db2.gz KAGVVSWQXQGTSI-MSOLQXFVSA-N 1 0 455.653 3.925 20 0 JHADRO COC(=O)c1ccc(Cl)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684158 719656278 /nfs/dbraw/zinc/65/62/78/719656278.db2.gz WHRCZTCGRBLZKB-SFHVURJKSA-N 1 0 485.028 3.615 20 0 JHADRO COC(=O)c1cnc(Cl)cc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164679947 719656340 /nfs/dbraw/zinc/65/63/40/719656340.db2.gz BDKNZZQHRSSHIP-SFHVURJKSA-N 1 0 485.028 3.615 20 0 JHADRO CCOC(=O)/C=C\c1cccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164682943 719658285 /nfs/dbraw/zinc/65/82/85/719658285.db2.gz UEQWVGPECOWWFY-DGVDTQEHSA-N 1 0 490.648 3.751 20 0 JHADRO COC(=O)c1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1Cl ZINC001164680459 719668438 /nfs/dbraw/zinc/66/84/38/719668438.db2.gz FMHAVTBISLVYIZ-SFHVURJKSA-N 1 0 485.028 3.615 20 0 JHADRO COc1ccc2ncc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc2c1 ZINC001164682982 719668864 /nfs/dbraw/zinc/66/88/64/719668864.db2.gz QHJIGSNDIBQJBS-FQEVSTJZSA-N 1 0 473.621 3.732 20 0 JHADRO Cc1nc(Cl)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C ZINC001164680093 719669261 /nfs/dbraw/zinc/66/92/61/719669261.db2.gz BXLHDRBXSRJBOU-IBGZPJMESA-N 1 0 456.034 3.840 20 0 JHADRO COc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc2ccccc21 ZINC001164680484 719670841 /nfs/dbraw/zinc/67/08/41/719670841.db2.gz GKAWJIGHVZFKRZ-FQEVSTJZSA-N 1 0 473.621 3.732 20 0 JHADRO COc1cc2c(cc1F)ncnc2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164686978 719672963 /nfs/dbraw/zinc/67/29/63/719672963.db2.gz ZFLXHWATSCMGNK-LJQANCHMSA-N 1 0 491.611 3.871 20 0 JHADRO COc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1Cl ZINC001164686806 719674616 /nfs/dbraw/zinc/67/46/16/719674616.db2.gz WYJHPYOZRDNUFB-GOSISDBHSA-N 1 0 457.018 3.837 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4ncc(F)cc4n3)CC2)c2ccccc21 ZINC001164681566 719675119 /nfs/dbraw/zinc/67/51/19/719675119.db2.gz MVPFVVGBWQXIHD-IBGZPJMESA-N 1 0 461.585 3.862 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cnc(Cl)c(N)c3)CC2)c2ccccc21 ZINC001164681076 719676052 /nfs/dbraw/zinc/67/60/52/719676052.db2.gz JHMCZNHSABBWCB-KRWDZBQOSA-N 1 0 492.014 3.956 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cnc(Cl)c(N)c3)CC2)c2ccccc21 ZINC001164681077 719676549 /nfs/dbraw/zinc/67/65/49/719676549.db2.gz JHMCZNHSABBWCB-QGZVFWFLSA-N 1 0 492.014 3.956 20 0 JHADRO Fc1cccnc1N(c1nc(Cl)nc2c1CN(Cc1ccccc1)C2)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164690800 719759728 /nfs/dbraw/zinc/75/97/28/719759728.db2.gz ILVHZGIIYREZBA-IQGLISFBSA-N 1 0 480.975 3.839 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@H](C(=O)NCCc4ccccn4)O[C@H]3C2)nc1 ZINC001164699237 719820156 /nfs/dbraw/zinc/82/01/56/719820156.db2.gz GZPCCSICBWIUQE-MYCYEZBNSA-N 1 0 477.653 3.756 20 0 JHADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164696620 719894379 /nfs/dbraw/zinc/89/43/79/719894379.db2.gz GIYFKSQKYVIILH-UHFFFAOYSA-N 1 0 471.957 3.999 20 0 JHADRO COC(=O)c1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c2ccccc2c1OC ZINC001164705871 719899966 /nfs/dbraw/zinc/89/99/66/719899966.db2.gz DVTVNUFKENZMON-UHFFFAOYSA-N 1 0 467.591 3.963 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)C2 ZINC001164814267 720087219 /nfs/dbraw/zinc/08/72/19/720087219.db2.gz WKLBCPZLBOSFBA-ATIYNZHBSA-N 1 0 469.029 3.850 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)C2 ZINC001164805897 720091909 /nfs/dbraw/zinc/09/19/09/720091909.db2.gz AMTLWNMCRDCACG-BLVKFPJESA-N 1 0 457.793 3.565 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(C)n1)CC2 ZINC001164712494 720102014 /nfs/dbraw/zinc/10/20/14/720102014.db2.gz WDLXQKSLHSKXMZ-SFHVURJKSA-N 1 0 451.949 3.886 20 0 JHADRO CCOC(=O)c1cc2ccnc(N3CCC4(C[C@H](COC)[N@H+](Cc5ccccn5)C4)CC3)c2[nH]1 ZINC001164715541 720112112 /nfs/dbraw/zinc/11/21/12/720112112.db2.gz HOSCPBXXMHFFCT-OAQYLSRUSA-N 1 0 463.582 3.642 20 0 JHADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164715498 720123986 /nfs/dbraw/zinc/12/39/86/720123986.db2.gz GLSDJXHTWFRGIJ-KRWDZBQOSA-N 1 0 494.423 3.863 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164710867 720151323 /nfs/dbraw/zinc/15/13/23/720151323.db2.gz FFDUJIWXMDAEIW-QHCPKHFHSA-N 1 0 469.593 3.718 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(OC)nc(Cl)n1)CC2 ZINC001164713416 720157916 /nfs/dbraw/zinc/15/79/16/720157916.db2.gz JYIXNCNACQFVDK-QGZVFWFLSA-N 1 0 467.948 3.586 20 0 JHADRO Cn1nnc2c1CCN(c1ncnc3scc(-c4cccs4)c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164719631 720174094 /nfs/dbraw/zinc/17/40/94/720174094.db2.gz XFZCRPHZSYNUOE-SFHVURJKSA-N 1 0 481.651 3.765 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)C2 ZINC001164819463 720189772 /nfs/dbraw/zinc/18/97/72/720189772.db2.gz XFRCOWGPVLCWGA-OXJNMPFZSA-N 1 0 453.921 3.515 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164812582 720195184 /nfs/dbraw/zinc/19/51/84/720195184.db2.gz LGQCXCNHFLSQBB-JXFKEZNVSA-N 1 0 458.937 3.557 20 0 JHADRO Cn1nnc2c1CCN(c1c(Cl)ccc3ccc(Cl)nc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718464 720203590 /nfs/dbraw/zinc/20/35/90/720203590.db2.gz ZOMRXJSEHQUQNC-GOSISDBHSA-N 1 0 461.397 3.886 20 0 JHADRO Cn1nnc2c1CCN(c1nc(Cl)cc(C3CCCCC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718925 720205205 /nfs/dbraw/zinc/20/52/05/720205205.db2.gz PBUJTFHYGDZZAH-HXUWFJFHSA-N 1 0 460.026 3.522 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)CCC2 ZINC001164816898 720242722 /nfs/dbraw/zinc/24/27/22/720242722.db2.gz NVAZULOYPPBSMM-UHFFFAOYSA-N 1 0 487.652 3.941 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc3ncc(Cl)nc3c2)CC1 ZINC001164818925 720303294 /nfs/dbraw/zinc/30/32/94/720303294.db2.gz BSFLUOJJZJHOOT-UXHICEINSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3ncnc(Cl)c3c2)CC1 ZINC001164828304 720311190 /nfs/dbraw/zinc/31/11/90/720311190.db2.gz ZXNJKENLJUCVKF-WOJBJXKFSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3ccccc3nc2N2CCCCC2)CC1 ZINC001164830812 720335895 /nfs/dbraw/zinc/33/58/95/720335895.db2.gz QAYMOPKKFSADNY-DNQXCXABSA-N 1 0 462.642 3.532 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)CC1 ZINC001164830260 720336410 /nfs/dbraw/zinc/33/64/10/720336410.db2.gz PIKNUCYHOMXIMQ-MOPGFXCFSA-N 1 0 490.986 3.648 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(-c3ccco3)nnc2Cl)CC1 ZINC001164828314 720340733 /nfs/dbraw/zinc/34/07/33/720340733.db2.gz OCRMXAFQNHXVQL-RBUKOAKNSA-N 1 0 479.959 3.846 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cccc3c(Cl)ncnc32)CC1 ZINC001164829979 720341720 /nfs/dbraw/zinc/34/17/20/720341720.db2.gz URGZLTRIGKMNQB-RBUKOAKNSA-N 1 0 463.960 3.740 20 0 JHADRO Clc1nc2c(c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n1)CN(Cc1ccccc1)CC2 ZINC001164722685 720347555 /nfs/dbraw/zinc/34/75/55/720347555.db2.gz GLFQFSWEEWBGPY-DNQXCXABSA-N 1 0 461.013 3.937 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccnc(CSc3ccccc3)n2)CC1 ZINC001164821691 720352255 /nfs/dbraw/zinc/35/22/55/720352255.db2.gz BIQBBQFPQRHJMB-FCHUYYIVSA-N 1 0 451.640 3.680 20 0 JHADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827511 720355871 /nfs/dbraw/zinc/35/58/71/720355871.db2.gz MMEVMOCFYMRAQX-UXHICEINSA-N 1 0 460.981 3.947 20 0 JHADRO O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]21)N1CCCCC1 ZINC001164832760 720503704 /nfs/dbraw/zinc/50/37/04/720503704.db2.gz BBPWHCNQNSJUTD-CBQOVEMMSA-N 1 0 495.014 3.901 20 0 JHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4Cc5nccn5C[C@H](C[NH+](C)C)C4)c23)C1 ZINC001164732873 720524582 /nfs/dbraw/zinc/52/45/82/720524582.db2.gz GNUJIUFKUIILQD-MOPGFXCFSA-N 1 0 479.698 3.806 20 0 JHADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164733882 720529549 /nfs/dbraw/zinc/52/95/49/720529549.db2.gz MGVYBCAGFZNRBE-SFHVURJKSA-N 1 0 461.639 3.814 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3CCN(Cc3ccccc3)C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842936 720534719 /nfs/dbraw/zinc/53/47/19/720534719.db2.gz ZASNPHMKPHGPTI-ONBPZOJHSA-N 1 0 471.653 3.609 20 0 JHADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834604 720545985 /nfs/dbraw/zinc/54/59/85/720545985.db2.gz FDTFNRIUDUYROH-BBTUJRGHSA-N 1 0 468.989 3.644 20 0 JHADRO COc1cccc(Oc2nc(Cl)ncc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164738697 720596754 /nfs/dbraw/zinc/59/67/54/720596754.db2.gz CRILBFVIIPBLOA-UHFFFAOYSA-N 1 0 454.962 3.786 20 0 JHADRO COC(=O)c1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c2ccccc2c1OC ZINC001164843136 720624434 /nfs/dbraw/zinc/62/44/34/720624434.db2.gz WSYWJXXUZVZNJK-CNNODRBYSA-N 1 0 463.582 3.604 20 0 JHADRO c1ccc(-c2ncc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2-c2ccccc2)cc1 ZINC001164738937 720688967 /nfs/dbraw/zinc/68/89/67/720688967.db2.gz LPIRHZYDCUXANZ-PKTZIBPZSA-N 1 0 450.546 3.943 20 0 JHADRO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164736797 720699479 /nfs/dbraw/zinc/69/94/79/720699479.db2.gz BGRRXTXVVDSFAX-VXKWHMMOSA-N 1 0 485.979 3.991 20 0 JHADRO COc1nc(Cl)ncc1C(F)(F)N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842334 720708369 /nfs/dbraw/zinc/70/83/69/720708369.db2.gz YJCRMNISZWRKMV-KRWDZBQOSA-N 1 0 452.933 3.943 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1C ZINC001164841716 720708961 /nfs/dbraw/zinc/70/89/61/720708961.db2.gz WFAXJMSQMKOFCW-SFHVURJKSA-N 1 0 484.000 3.668 20 0 JHADRO CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164836460 720714686 /nfs/dbraw/zinc/71/46/86/720714686.db2.gz AXJZMIOPLFPWBT-QHCPKHFHSA-N 1 0 486.682 3.808 20 0 JHADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164841802 720728246 /nfs/dbraw/zinc/72/82/46/720728246.db2.gz XDWXBZWPYNZVMC-IEBWSBKVSA-N 1 0 458.990 3.666 20 0 JHADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164843426 720741341 /nfs/dbraw/zinc/74/13/41/720741341.db2.gz JMPXFJKIQNEQTQ-UHFFFAOYSA-N 1 0 453.950 3.620 20 0 JHADRO Fc1ccc(-c2nc(Cl)cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1Cl ZINC001164749982 720800063 /nfs/dbraw/zinc/80/00/63/720800063.db2.gz UYELXLCFMUHLNU-GJZGRUSLSA-N 1 0 461.328 3.721 20 0 JHADRO 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O=C(NCCSCc1ccco1)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909900 721542829 /nfs/dbraw/zinc/54/28/29/721542829.db2.gz SHWUJHVOMJGUCE-REWPJTCUSA-N 1 0 496.608 3.819 20 0 JHADRO COc1cc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2cc1OC ZINC001164810553 721545436 /nfs/dbraw/zinc/54/54/36/721545436.db2.gz XHMKQCNYEFSIKQ-CNNODRBYSA-N 1 0 469.973 3.564 20 0 JHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)CC[N@@H+]3C2)c1 ZINC001164903181 721568638 /nfs/dbraw/zinc/56/86/38/721568638.db2.gz BILKSODRZMXTCJ-UKRRQHHQSA-N 1 0 469.920 3.852 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@H]3C2)nc1 ZINC001164804344 721603202 /nfs/dbraw/zinc/60/32/02/721603202.db2.gz YCIDKOLAOVFGPE-GVAUOCQISA-N 1 0 463.626 3.586 20 0 JHADRO COCCN(C)c1nc(C2CCN(c3cc(C[NH+](C)C)ccn3)CC2)cc2c1ncn2C(C)C ZINC001165010199 721693546 /nfs/dbraw/zinc/69/35/46/721693546.db2.gz UANLFRPHARWGAU-UHFFFAOYSA-N 1 0 465.646 3.935 20 0 JHADRO CCOC(=O)c1cc2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH]c-2n1 ZINC001164904872 721715613 /nfs/dbraw/zinc/71/56/13/721715613.db2.gz DRFBQEBHMFWYDT-QHCPKHFHSA-N 1 0 455.509 3.872 20 0 JHADRO COc1cc(OC)c2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164913862 721737309 /nfs/dbraw/zinc/73/73/09/721737309.db2.gz ZADNFZIZKMXBTE-HSZRJFAPSA-N 1 0 455.509 3.780 20 0 JHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)CC1 ZINC001165011319 721745084 /nfs/dbraw/zinc/74/50/84/721745084.db2.gz VJSMKPNSTNBULO-UHFFFAOYSA-N 1 0 476.650 3.765 20 0 JHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccc(Cl)s3)nc3c2CCC3)CC1 ZINC001165012248 721748066 /nfs/dbraw/zinc/74/80/66/721748066.db2.gz DKCDTPURBLNDIN-UHFFFAOYSA-N 1 0 460.047 3.870 20 0 JHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3cc(OCc4ccccc4)ccc32)CC1 ZINC001165013268 721749295 /nfs/dbraw/zinc/74/92/95/721749295.db2.gz WFFKRUAFHUSOFJ-UHFFFAOYSA-N 1 0 459.594 3.732 20 0 JHADRO CCOC(=O)c1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2s1 ZINC001165024671 721818450 /nfs/dbraw/zinc/81/84/50/721818450.db2.gz KIPVFCUXZCYVCN-HQRMLTQVSA-N 1 0 451.596 4.000 20 0 JHADRO CC(=O)Oc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC(C)=O ZINC001165020810 721819558 /nfs/dbraw/zinc/81/95/58/721819558.db2.gz DHNGYYDURVLYHR-APTRMMRNSA-N 1 0 489.576 3.612 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1C ZINC001165026718 721821990 /nfs/dbraw/zinc/82/19/90/721821990.db2.gz PTMVXSDSAQDISI-ZYSHUDEJSA-N 1 0 468.989 3.540 20 0 JHADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165028356 721822346 /nfs/dbraw/zinc/82/23/46/721822346.db2.gz VOKAKAXNNAWPNI-JCGIZDLHSA-N 1 0 454.962 3.530 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)Nc4nncs4)cc3Cl)C[C@H]21 ZINC001165019762 721825956 /nfs/dbraw/zinc/82/59/56/721825956.db2.gz BTXKRAVFRNXCKQ-QKYXUNIQSA-N 1 0 484.029 3.971 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(S(C)(=O)=O)c3)C[C@@H]21 ZINC001165028161 721832085 /nfs/dbraw/zinc/83/20/85/721832085.db2.gz USUMUDVWRXAVFC-AYOQOUSVSA-N 1 0 485.000 3.815 20 0 JHADRO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C(=O)OCC ZINC001165027831 721832217 /nfs/dbraw/zinc/83/22/17/721832217.db2.gz UDKOUWYKGLIKGA-VLCRHTCISA-N 1 0 466.582 3.567 20 0 JHADRO CCOC(=O)c1cnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)cc1OCC ZINC001165023452 721840922 /nfs/dbraw/zinc/84/09/22/721840922.db2.gz YDYKPIJKFACLDB-UHFFFAOYSA-N 1 0 457.571 3.775 20 0 JHADRO CCOC(=O)c1ccc2ncnc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c2c1 ZINC001165022457 721841197 /nfs/dbraw/zinc/84/11/97/721841197.db2.gz SXFXTKBXDWFQPX-UHFFFAOYSA-N 1 0 464.566 3.925 20 0 JHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2c(Cl)nc(N3CCOCC3)nc2Cl)CC1 ZINC001165022601 721841719 /nfs/dbraw/zinc/84/17/19/721841719.db2.gz QEDZZLNYONWMAZ-UHFFFAOYSA-N 1 0 496.439 3.738 20 0 JHADRO CCOC(=O)c1ccnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1C(=O)OCC ZINC001165031238 721845098 /nfs/dbraw/zinc/84/50/98/721845098.db2.gz ZGYSXKLUEVJCTJ-UHFFFAOYSA-N 1 0 485.581 3.553 20 0 JHADRO COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c(Cl)nn1 ZINC001164929234 721890105 /nfs/dbraw/zinc/89/01/05/721890105.db2.gz ASNUFJLKAHDPED-MOPGFXCFSA-N 1 0 451.949 3.565 20 0 JHADRO CN1C(=O)CC[C@H]2[C@H]1CCN2c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164932057 721892980 /nfs/dbraw/zinc/89/29/80/721892980.db2.gz GCYUKNGSNUVNKI-YADHBBJMSA-N 1 0 467.013 3.956 20 0 JHADRO O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]21)NC1CCC1 ZINC001164936133 721898096 /nfs/dbraw/zinc/89/80/96/721898096.db2.gz YDTROJLDVUKEIX-LRQRDZAKSA-N 1 0 480.987 3.557 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(CO)ccc4NC(=O)C(C)(C)C)CC3)C2)cc1 ZINC001164939079 721929244 /nfs/dbraw/zinc/92/92/44/721929244.db2.gz IGRRCUGWFVMJKQ-UHFFFAOYSA-N 1 0 466.626 3.738 20 0 JHADRO COC(=O)c1nc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c(Cl)n1 ZINC001164943548 721932962 /nfs/dbraw/zinc/93/29/62/721932962.db2.gz PTTXBQLFGYCADK-UHFFFAOYSA-N 1 0 465.381 3.750 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nc1 ZINC001165050799 721981659 /nfs/dbraw/zinc/98/16/59/721981659.db2.gz WROADESGYYAVKX-XUZZJYLKSA-N 1 0 450.583 3.507 20 0 JHADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC([NH+](CC)CC)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165052888 722005089 /nfs/dbraw/zinc/00/50/89/722005089.db2.gz GKOVTDQPPGUQGZ-ZWKOTPCHSA-N 1 0 450.578 3.536 20 0 JHADRO c1ccc(CN2CCc3ncnc(N4CCC5(CC[N@H+](Cc6cccnc6)C5)CC4)c3C2)cc1 ZINC001164954124 722014176 /nfs/dbraw/zinc/01/41/76/722014176.db2.gz IOCLFZXGKFGRLC-UHFFFAOYSA-N 1 0 454.622 3.922 20 0 JHADRO c1ccc(CC[NH+]2CCN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)CC2)nc1 ZINC001165055632 722016905 /nfs/dbraw/zinc/01/69/05/722016905.db2.gz RQJDLLLUNLXWKT-UHFFFAOYSA-N 1 0 462.667 3.926 20 0 JHADRO c1ccc(N2CCN(c3ccc(N4CCC5(CC[N@@H+](Cc6cccnc6)C5)CC4)nn3)CC2)cc1 ZINC001164955677 722022549 /nfs/dbraw/zinc/02/25/49/722022549.db2.gz MUZSMXZUFNBBFZ-UHFFFAOYSA-N 1 0 469.637 3.691 20 0 JHADRO c1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(C2SCCCS2)n1 ZINC001164964654 722054552 /nfs/dbraw/zinc/05/45/52/722054552.db2.gz WKZBAPJJPWLOML-UHFFFAOYSA-N 1 0 457.669 3.859 20 0 JHADRO CCOc1cc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2cc1OCC ZINC001164964827 722056417 /nfs/dbraw/zinc/05/64/17/722056417.db2.gz YDSMTOYBKATCLG-UHFFFAOYSA-N 1 0 477.609 3.941 20 0 JHADRO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964498 722057909 /nfs/dbraw/zinc/05/79/09/722057909.db2.gz VETMHLPIJJHKDB-UHFFFAOYSA-N 1 0 474.943 3.737 20 0 JHADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC3)C2)ccn1 ZINC001164962497 722060945 /nfs/dbraw/zinc/06/09/45/722060945.db2.gz SSLCJQNMCZSUBD-UHFFFAOYSA-N 1 0 487.604 3.819 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)N3C(C)=O)C2)nc1 ZINC001164968949 722081102 /nfs/dbraw/zinc/08/11/02/722081102.db2.gz GNWQNXPTBHTJHT-ZYQDXHPFSA-N 1 0 450.631 3.731 20 0 JHADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981757 722110863 /nfs/dbraw/zinc/11/08/63/722110863.db2.gz VDCMWIVYCSKZLB-UTKZUKDTSA-N 1 0 459.928 3.950 20 0 JHADRO Clc1ncc(OCc2ccccc2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979767 722120838 /nfs/dbraw/zinc/12/08/38/722120838.db2.gz PUBNFDMCMFWXOF-JTHBVZDNSA-N 1 0 465.985 3.831 20 0 JHADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978405 722126987 /nfs/dbraw/zinc/12/69/87/722126987.db2.gz ONMRPXOCXNMTOS-NQIIRXRSSA-N 1 0 458.990 3.813 20 0 JHADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972764 722135376 /nfs/dbraw/zinc/13/53/76/722135376.db2.gz AKTUEHUDXFEOBE-JKSUJKDBSA-N 1 0 458.340 3.537 20 0 JHADRO c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164975221 722138337 /nfs/dbraw/zinc/13/83/37/722138337.db2.gz FTKBJTUUZCKLCB-WIOPSUGQSA-N 1 0 458.610 3.742 20 0 JHADRO c1cc2c(nc(-c3ccccn3)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164976054 722152063 /nfs/dbraw/zinc/15/20/63/722152063.db2.gz GVSHKURHXHPTBY-SIKLNZKXSA-N 1 0 458.591 3.876 20 0 JHADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972600 722155343 /nfs/dbraw/zinc/15/53/43/722155343.db2.gz IOUUHNLBTNJOCJ-RDJZCZTQSA-N 1 0 459.324 3.935 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2c([C@H]3COCCN3)nccc2=NCc2ccco2)nc1 ZINC001164986311 722172956 /nfs/dbraw/zinc/17/29/56/722172956.db2.gz JRBFTEPIEWEVLA-DHIUTWEWSA-N 1 0 462.598 3.559 20 0 JHADRO COc1cc2c[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)cc2cc1OC ZINC001164990860 722185573 /nfs/dbraw/zinc/18/55/73/722185573.db2.gz SCLWFJYBAMLYTL-LEWJYISDSA-N 1 0 454.596 3.887 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1 ZINC001165000736 722218806 /nfs/dbraw/zinc/21/88/06/722218806.db2.gz YGTBYEQUKWPXJO-SHQCIBLASA-N 1 0 476.625 3.845 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)c2nc(C)cs2)CC[N@@H+]1CCOC ZINC001306622562 1069312426 /nfs/dbraw/zinc/31/24/26/1069312426.db2.gz ZZYKRJQFGFUHLB-HKUYNNGSSA-N 1 0 457.648 3.779 20 0 JHADRO C[C@](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)(c1ccc(F)cc1)C(F)(F)F ZINC001311275532 1069313219 /nfs/dbraw/zinc/31/32/19/1069313219.db2.gz WVQIYONMMQAVHK-WEYGHZABSA-N 1 0 453.480 3.785 20 0 JHADRO C[NH+]1CCN(C[C@H](NC(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)c2ccccc2)CC1 ZINC001311275796 1069313826 /nfs/dbraw/zinc/31/38/26/1069313826.db2.gz ZUQMKZXOKBHGLV-UNMCSNQZSA-N 1 0 452.496 3.891 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306623380 1069314369 /nfs/dbraw/zinc/31/43/69/1069314369.db2.gz RSRALUTVROPTLA-CJFMBICVSA-N 1 0 491.080 3.872 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306623383 1069314899 /nfs/dbraw/zinc/31/48/99/1069314899.db2.gz RSRALUTVROPTLA-NLFFAJNJSA-N 1 0 491.080 3.872 20 0 JHADRO Cc1cc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)ccc1S(=O)(=O)N(C)C ZINC001311282503 1069315249 /nfs/dbraw/zinc/31/52/49/1069315249.db2.gz QRFADBZPMNBUDF-SLFFLAALSA-N 1 0 458.628 3.761 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(C)=O)cc2)CC[N@@H+]1CCOC ZINC001306623488 1069315405 /nfs/dbraw/zinc/31/54/05/1069315405.db2.gz JBEQJBVAXBYDAO-XMMPIXPASA-N 1 0 491.640 3.592 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(C)CCCS2)CC[N@@H+]1CCOC ZINC001306624447 1069317981 /nfs/dbraw/zinc/31/79/81/1069317981.db2.gz KDAHQCLDXQTXOD-TXTKFYIRSA-N 1 0 451.681 3.743 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(C)(C)O)cc2)CC[N@@H+]1CCOC ZINC001306624694 1069318725 /nfs/dbraw/zinc/31/87/25/1069318725.db2.gz LRYHSQQWHRCYGZ-BJKOFHAPSA-N 1 0 485.673 3.733 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC001306626287 1069321362 /nfs/dbraw/zinc/32/13/62/1069321362.db2.gz XRZJEZGYULRZHI-XZOQPEGZSA-N 1 0 457.619 3.514 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2cc(F)ccc2SC)CC[N@@H+]1CCOC ZINC001306628546 1069326560 /nfs/dbraw/zinc/32/65/60/1069326560.db2.gz GLWQRNPLJGWGRL-RXVVDRJESA-N 1 0 477.650 3.628 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001306630678 1069330075 /nfs/dbraw/zinc/33/00/75/1069330075.db2.gz PTTTVRLCWNPGEY-RTWAWAEBSA-N 1 0 457.648 3.509 20 0 JHADRO O=C(NCCc1cc(Cl)ccc1Br)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001311343098 1069330960 /nfs/dbraw/zinc/33/09/60/1069330960.db2.gz HFXFJCDOMHLULJ-UHFFFAOYSA-N 1 0 458.828 3.979 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC001311346069 1069332514 /nfs/dbraw/zinc/33/25/14/1069332514.db2.gz OHOGZLRYJRPZQD-XUZZJYLKSA-N 1 0 450.583 3.527 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N2CCN(c3ccc(C)c(C)c3)C[C@H]2C)[NH+](C)C)cc1OC ZINC001311346625 1069333201 /nfs/dbraw/zinc/33/32/01/1069333201.db2.gz AJSSYAXLBZEEEA-NFBKMPQASA-N 1 0 454.615 3.844 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@H](OC)C(C)(C)C)CCO1 ZINC001306632359 1069333822 /nfs/dbraw/zinc/33/38/22/1069333822.db2.gz XZYJQUYPDDUXEV-DQEYMECFSA-N 1 0 498.716 3.709 20 0 JHADRO COc1ccc([C@H](CNC(=O)NC[C@H]2CC(c3ccc(C)c(C)c3)=NO2)[NH+]2CCCC2)cc1 ZINC001311348023 1069334377 /nfs/dbraw/zinc/33/43/77/1069334377.db2.gz XUTCTNIKFFEJMY-NOZRDPDXSA-N 1 0 450.583 3.941 20 0 JHADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)[C@H]1CCCc2cccnc21 ZINC001306633193 1069335907 /nfs/dbraw/zinc/33/59/07/1069335907.db2.gz KTHCONYPNVADFO-NRFANRHFSA-N 1 0 458.400 3.924 20 0 JHADRO C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1=O ZINC001311352922 1069338638 /nfs/dbraw/zinc/33/86/38/1069338638.db2.gz DDZXNROTWIYNDZ-YADARESESA-N 1 0 452.574 3.973 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc(-c3cccnc3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001306634265 1069339069 /nfs/dbraw/zinc/33/90/69/1069339069.db2.gz GPEPQKCIBMFJLK-UHFFFAOYSA-N 1 0 467.662 3.737 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001306634409 1069339720 /nfs/dbraw/zinc/33/97/20/1069339720.db2.gz IGVJOKDWESCLPA-KAOXLYBCSA-N 1 0 477.694 3.703 20 0 JHADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001311355799 1069340086 /nfs/dbraw/zinc/34/00/86/1069340086.db2.gz JVIDMMVMVNRTFA-UHFFFAOYSA-N 1 0 458.578 3.587 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)C1 ZINC001311358484 1069342768 /nfs/dbraw/zinc/34/27/68/1069342768.db2.gz BQQJSFRIQUGVRM-LQWHRVPQSA-N 1 0 455.018 3.614 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(Cl)c2)CC[N@@H+]1CCOC ZINC001306636372 1069345404 /nfs/dbraw/zinc/34/54/04/1069345404.db2.gz YUSQGTBVPGVIGH-SIKLNZKXSA-N 1 0 478.037 3.777 20 0 JHADRO CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001311369651 1069348006 /nfs/dbraw/zinc/34/80/06/1069348006.db2.gz HEELEUONTRNQGE-WIYYLYMNSA-N 1 0 458.994 3.748 20 0 JHADRO CCCCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC001306639158 1069349795 /nfs/dbraw/zinc/34/97/95/1069349795.db2.gz PNKFIWVCJXGBCB-JOCHJYFZSA-N 1 0 488.702 3.897 20 0 JHADRO Cc1cccc([C@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)N2CCOCC2)c1 ZINC001311391579 1069358636 /nfs/dbraw/zinc/35/86/36/1069358636.db2.gz OMPVHFMNJJFGBU-NVQXNPDNSA-N 1 0 450.627 3.893 20 0 JHADRO CC[C@H](CNC(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC001311392895 1069359105 /nfs/dbraw/zinc/35/91/05/1069359105.db2.gz XEQUIJFHLSZNGD-CLJLJLNGSA-N 1 0 450.627 3.504 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21)C1CCCCC1 ZINC001311397729 1069360897 /nfs/dbraw/zinc/36/08/97/1069360897.db2.gz SSDONNYNMFJVOH-YLJYHZDGSA-N 1 0 454.537 3.879 20 0 JHADRO CN1CCO[C@H]([C@@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001311405055 1069363832 /nfs/dbraw/zinc/36/38/32/1069363832.db2.gz IBHWHUKEOOMNOD-HJOGWXRNSA-N 1 0 457.018 3.848 20 0 JHADRO CN(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1Cl ZINC001311421594 1069369423 /nfs/dbraw/zinc/36/94/23/1069369423.db2.gz CIJRIRSOALXVBA-BJKOFHAPSA-N 1 0 458.050 3.621 20 0 JHADRO CC(C)OC1CCN(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001311426228 1069374325 /nfs/dbraw/zinc/37/43/25/1069374325.db2.gz ZGUDURBMRJNOCA-UHFFFAOYSA-N 1 0 456.553 3.817 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001306660239 1069379227 /nfs/dbraw/zinc/37/92/27/1069379227.db2.gz WFFYKUXCOWWKTL-YADHBBJMSA-N 1 0 460.667 3.527 20 0 JHADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)Sc2ccc(Br)cc2)C1 ZINC001311440590 1069381103 /nfs/dbraw/zinc/38/11/03/1069381103.db2.gz GVEUPCUJRSMDCE-KRWDZBQOSA-N 1 0 458.466 3.976 20 0 JHADRO CN(Cc1nccs1)C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001311451412 1069384633 /nfs/dbraw/zinc/38/46/33/1069384633.db2.gz DCBOBLXGUFNEEB-UHFFFAOYSA-N 1 0 455.550 3.906 20 0 JHADRO CCCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001306663483 1069385906 /nfs/dbraw/zinc/38/59/06/1069385906.db2.gz ISTBQDKKOLRTDM-UHFFFAOYSA-N 1 0 475.707 3.905 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001306664835 1069389973 /nfs/dbraw/zinc/38/99/73/1069389973.db2.gz KJHPZAHDZANSBX-GOTSBHOMSA-N 1 0 474.694 3.521 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(CC)n2CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001306665197 1069391348 /nfs/dbraw/zinc/39/13/48/1069391348.db2.gz OFHPFKQNERMXNX-UHFFFAOYSA-N 1 0 467.662 3.627 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(C3CCC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001306665252 1069391636 /nfs/dbraw/zinc/39/16/36/1069391636.db2.gz MJJMIDAOWYTKIZ-NRFANRHFSA-N 1 0 474.694 3.521 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001306666550 1069394645 /nfs/dbraw/zinc/39/46/45/1069394645.db2.gz XEJAHYCOQDABMI-AIUHUKMKSA-N 1 0 488.721 3.767 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311469675 1069393427 /nfs/dbraw/zinc/39/34/27/1069393427.db2.gz NPTDESPXCIQPBW-ZEQRLZLVSA-N 1 0 452.599 3.569 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001306666091 1069393808 /nfs/dbraw/zinc/39/38/08/1069393808.db2.gz SRUBZNWATJWVNP-GGAORHGYSA-N 1 0 486.661 3.891 20 0 JHADRO O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001311480296 1069397250 /nfs/dbraw/zinc/39/72/50/1069397250.db2.gz JOEZKBIGTVNUEE-DEOSSOPVSA-N 1 0 456.631 3.926 20 0 JHADRO C[C@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311481795 1069398013 /nfs/dbraw/zinc/39/80/13/1069398013.db2.gz BEPJFFVVRVGLFV-FQEVSTJZSA-N 1 0 450.583 3.754 20 0 JHADRO C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311482852 1069398583 /nfs/dbraw/zinc/39/85/83/1069398583.db2.gz QEQFOZNWDKLOPN-IBGZPJMESA-N 1 0 450.583 3.943 20 0 JHADRO CCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)Cc1ccccc1 ZINC001306675001 1069399329 /nfs/dbraw/zinc/39/93/29/1069399329.db2.gz NVGTXEOKXOALGV-JOCHJYFZSA-N 1 0 486.661 3.955 20 0 JHADRO CC1CC[NH+](Cc2ccc(CNC(=O)NCc3ccncc3OC[C@H]3CCOC3)cc2)CC1 ZINC001311491871 1069403607 /nfs/dbraw/zinc/40/36/07/1069403607.db2.gz FOHHJJKEJCKBNA-QHCPKHFHSA-N 1 0 452.599 3.728 20 0 JHADRO CC1CC[NH+](Cc2ccc(CNC(=O)NCc3ccncc3OC[C@@H]3CCOC3)cc2)CC1 ZINC001311491870 1069403632 /nfs/dbraw/zinc/40/36/32/1069403632.db2.gz FOHHJJKEJCKBNA-HSZRJFAPSA-N 1 0 452.599 3.728 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001306679340 1069404941 /nfs/dbraw/zinc/40/49/41/1069404941.db2.gz HVVPQEXBFCTBDR-FQEVSTJZSA-N 1 0 490.096 3.663 20 0 JHADRO C[C@@H](NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C(F)F ZINC001311496279 1069406317 /nfs/dbraw/zinc/40/63/17/1069406317.db2.gz LYFOMTIHUBDGMQ-MZNJEOGPSA-N 1 0 457.525 3.771 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001306680113 1069406409 /nfs/dbraw/zinc/40/64/09/1069406409.db2.gz PITCIYSMVOGPBP-FQEVSTJZSA-N 1 0 494.619 3.512 20 0 JHADRO C[NH+](C)CCOc1ccc(CNC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001311497861 1069406979 /nfs/dbraw/zinc/40/69/79/1069406979.db2.gz QYVRVCDYLQKGQY-UHFFFAOYSA-N 1 0 453.370 3.762 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCSC2)CC1 ZINC001306681462 1069410383 /nfs/dbraw/zinc/41/03/83/1069410383.db2.gz YWUJFIDLKJKHOF-VWLOTQADSA-N 1 0 473.687 3.770 20 0 JHADRO CCN(CC)C(=O)c1ccc(CNC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC001311502123 1069411043 /nfs/dbraw/zinc/41/10/43/1069411043.db2.gz OETKFTYUOBKMRK-UHFFFAOYSA-N 1 0 452.599 3.641 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001306681855 1069411839 /nfs/dbraw/zinc/41/18/39/1069411839.db2.gz VTPCZUPTBOFAMW-HOYKHHGWSA-N 1 0 479.572 3.663 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001306682026 1069411920 /nfs/dbraw/zinc/41/19/20/1069411920.db2.gz ZZFNVIXTZMPBPE-FQEVSTJZSA-N 1 0 484.670 3.547 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(CC(N)=O)CC1 ZINC001306680805 1069408721 /nfs/dbraw/zinc/40/87/21/1069408721.db2.gz GFPNITCROKGPGS-UHFFFAOYSA-N 1 0 463.630 3.625 20 0 JHADRO COc1ccc(C2=NO[C@H](CNC(=O)NCc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)C2)cc1 ZINC001311499050 1069408697 /nfs/dbraw/zinc/40/86/97/1069408697.db2.gz UFUYEUAYUOJMRA-CYFREDJKSA-N 1 0 450.583 3.920 20 0 JHADRO CCOc1ccc([C@H](O)C2CCN(C(=O)NCc3cccc(OCC[NH+](C)C)c3)CC2)cc1 ZINC001311500118 1069408914 /nfs/dbraw/zinc/40/89/14/1069408914.db2.gz NNUYYRCFZMYSGN-VWLOTQADSA-N 1 0 455.599 3.681 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001306683301 1069416547 /nfs/dbraw/zinc/41/65/47/1069416547.db2.gz RBCNDRUIQJMREV-UHFFFAOYSA-N 1 0 451.594 3.840 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001306683514 1069417211 /nfs/dbraw/zinc/41/72/11/1069417211.db2.gz WDAXMHNVWUOGJE-UXHICEINSA-N 1 0 489.462 3.687 20 0 JHADRO C[C@H]([NH2+]C(C)(C)CNC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC001311514910 1069417723 /nfs/dbraw/zinc/41/77/23/1069417723.db2.gz NJHGPXZXWCZYGT-FQEVSTJZSA-N 1 0 451.615 3.518 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001306682420 1069413355 /nfs/dbraw/zinc/41/33/55/1069413355.db2.gz GVWLZAGEGSGOGT-UHFFFAOYSA-N 1 0 451.619 3.803 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001306682604 1069413839 /nfs/dbraw/zinc/41/38/39/1069413839.db2.gz JGPVMAUHTIGZIX-UHFFFAOYSA-N 1 0 485.702 3.689 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001306682769 1069414656 /nfs/dbraw/zinc/41/46/56/1069414656.db2.gz NMVPJVOZJDLYTE-JOCHJYFZSA-N 1 0 468.429 3.980 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001306683753 1069417985 /nfs/dbraw/zinc/41/79/85/1069417985.db2.gz CHGVPFOSBSEDJF-UHFFFAOYSA-N 1 0 464.614 3.694 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@H]1CC ZINC001306685460 1069420813 /nfs/dbraw/zinc/42/08/13/1069420813.db2.gz DZAXUSJOOBHISX-NJYVYQBISA-N 1 0 478.682 3.943 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](CC)C1 ZINC001306685867 1069421933 /nfs/dbraw/zinc/42/19/33/1069421933.db2.gz MIFALQZBVCLQNB-UXHICEINSA-N 1 0 496.722 3.650 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001306686686 1069423211 /nfs/dbraw/zinc/42/32/11/1069423211.db2.gz GPJDTYUFJDTMPF-UHFFFAOYSA-N 1 0 461.658 3.939 20 0 JHADRO CCCC[N@H+](C)CCn1c(N2CCN(C(=O)c3c(F)cccc3F)CC2)nnc1C(C)(C)C ZINC001306687048 1069424082 /nfs/dbraw/zinc/42/40/82/1069424082.db2.gz ISVMGGBMHNCUMA-UHFFFAOYSA-N 1 0 462.589 3.548 20 0 JHADRO O=C(NCCOc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001311530136 1069425186 /nfs/dbraw/zinc/42/51/86/1069425186.db2.gz VUDABGKQOAODNV-OAQYLSRUSA-N 1 0 451.489 3.675 20 0 JHADRO C[C@@H]1C[NH+](CCCNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C[C@@H](C)O1 ZINC001311533271 1069426544 /nfs/dbraw/zinc/42/65/44/1069426544.db2.gz JRJINNTUMOWWJF-CBGDNZLLSA-N 1 0 457.537 3.972 20 0 JHADRO CCC(CC)[C@H](CNC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1)[NH+]1CCCC1 ZINC001311538233 1069430225 /nfs/dbraw/zinc/43/02/25/1069430225.db2.gz UPNBQEJUIJEMMZ-VXKWHMMOSA-N 1 0 450.649 3.503 20 0 JHADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)cc1 ZINC001311538511 1069430327 /nfs/dbraw/zinc/43/03/27/1069430327.db2.gz MRLARHQLJCTJNC-VWLOTQADSA-N 1 0 451.611 3.782 20 0 JHADRO CCCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306694604 1069431438 /nfs/dbraw/zinc/43/14/38/1069431438.db2.gz JMDCHQNTFNOFDQ-VAMGGRTRSA-N 1 0 453.697 3.563 20 0 JHADRO COC(=O)c1cc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)ccc1OC ZINC001311542027 1069431922 /nfs/dbraw/zinc/43/19/22/1069431922.db2.gz UAEJWIYYUSFFPP-GOSISDBHSA-N 1 0 454.354 3.891 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc(F)c1 ZINC001311568505 1069441947 /nfs/dbraw/zinc/44/19/47/1069441947.db2.gz GPMJDEHYMQUGAE-AEFFLSMTSA-N 1 0 458.525 3.620 20 0 JHADRO COc1cc2c(c(OC)c1OC)CCN(C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC001311561261 1069438728 /nfs/dbraw/zinc/43/87/28/1069438728.db2.gz VVEUEUPFNQHZMK-UHFFFAOYSA-N 1 0 453.583 3.619 20 0 JHADRO CC1CC[NH+]([C@H](CNC(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)c2cccs2)CC1 ZINC001311568120 1069441351 /nfs/dbraw/zinc/44/13/51/1069441351.db2.gz BWTQWRIXXJRCTQ-WIYYLYMNSA-N 1 0 451.583 3.950 20 0 JHADRO CCCN(C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001311571848 1069443330 /nfs/dbraw/zinc/44/33/30/1069443330.db2.gz NAVHTRRBKKXWSB-LOSJGSFVSA-N 1 0 456.675 3.964 20 0 JHADRO COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c4ccc(Br)cc34)C2)cc(OC)c1 ZINC001306709630 1069443755 /nfs/dbraw/zinc/44/37/55/1069443755.db2.gz DYMLCYYEOZHRII-INIZCTEOSA-N 1 0 458.356 3.952 20 0 JHADRO O=C(/C=C\c1ccccc1)NCCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001311580259 1069448182 /nfs/dbraw/zinc/44/81/82/1069448182.db2.gz KIAZJTVGCSGBHF-DSTYWPJMSA-N 1 0 455.002 3.996 20 0 JHADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCN(CCOc2ccccc2)CC1 ZINC001311581550 1069448754 /nfs/dbraw/zinc/44/87/54/1069448754.db2.gz RMHWJXBGICZHHY-DEOSSOPVSA-N 1 0 457.018 3.883 20 0 JHADRO O=C(NC[C@H](CO)Cc1ccc(F)c(F)c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001311588295 1069452403 /nfs/dbraw/zinc/45/24/03/1069452403.db2.gz KOCQFFQNVOUIKQ-GOSISDBHSA-N 1 0 451.945 3.733 20 0 JHADRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC001311587417 1069451889 /nfs/dbraw/zinc/45/18/89/1069451889.db2.gz BJMODMOLNLIJBB-QGZVFWFLSA-N 1 0 455.990 3.894 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001306721960 1069458922 /nfs/dbraw/zinc/45/89/22/1069458922.db2.gz DFEBUXKNLXITAA-LVXARBLLSA-N 1 0 452.647 3.871 20 0 JHADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NCc1nnc2n1CCCCC2 ZINC001311605352 1069459038 /nfs/dbraw/zinc/45/90/38/1069459038.db2.gz PLXIZCJEWDFIPX-QHCPKHFHSA-N 1 0 452.647 3.879 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001306721959 1069459147 /nfs/dbraw/zinc/45/91/47/1069459147.db2.gz DFEBUXKNLXITAA-HFZDXXHNSA-N 1 0 452.647 3.871 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001306723313 1069462837 /nfs/dbraw/zinc/46/28/37/1069462837.db2.gz RJSHONMDASGPBP-RBBKRZOGSA-N 1 0 484.645 3.885 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001306723230 1069463008 /nfs/dbraw/zinc/46/30/08/1069463008.db2.gz PKONEJLQMGKKMP-FQRUVTKNSA-N 1 0 468.646 3.571 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001306724016 1069464705 /nfs/dbraw/zinc/46/47/05/1069464705.db2.gz XHJDPBQAOWBUBX-IPMKNSEASA-N 1 0 459.664 3.580 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001306725220 1069466357 /nfs/dbraw/zinc/46/63/57/1069466357.db2.gz BFFPVIXTHRPCAL-PWRODBHTSA-N 1 0 465.708 3.707 20 0 JHADRO C[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311616007 1069468316 /nfs/dbraw/zinc/46/83/16/1069468316.db2.gz BBALXLCVJAQRMW-IBGZPJMESA-N 1 0 456.562 3.970 20 0 JHADRO C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311619069 1069469956 /nfs/dbraw/zinc/46/99/56/1069469956.db2.gz JJQJEVQWRFDCEI-GCJKJVERSA-N 1 0 454.546 3.627 20 0 JHADRO C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311619435 1069470568 /nfs/dbraw/zinc/47/05/68/1069470568.db2.gz OGBKYBYEBDRWFK-GOSISDBHSA-N 1 0 456.562 3.921 20 0 JHADRO CCOc1ccc(Oc2cc(CNC(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)ccn2)cc1 ZINC001311619554 1069470601 /nfs/dbraw/zinc/47/06/01/1069470601.db2.gz DMCYMUADZUKQFB-FQEVSTJZSA-N 1 0 454.571 3.573 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001306727309 1069471672 /nfs/dbraw/zinc/47/16/72/1069471672.db2.gz PMAUNMRQOGMOCK-RXVVDRJESA-N 1 0 489.690 3.565 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001306727339 1069472179 /nfs/dbraw/zinc/47/21/79/1069472179.db2.gz PUDBENZMJAZEIW-VXKWHMMOSA-N 1 0 490.693 3.884 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O ZINC001306727577 1069472789 /nfs/dbraw/zinc/47/27/89/1069472789.db2.gz FCYCZAIKHANPRI-GPQLQYNLSA-N 1 0 462.683 3.551 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306727932 1069473712 /nfs/dbraw/zinc/47/37/12/1069473712.db2.gz SHRSJLXREVJMLM-HKBOAZHASA-N 1 0 476.666 3.540 20 0 JHADRO CN(C)C(=O)COc1cccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC001311623898 1069473792 /nfs/dbraw/zinc/47/37/92/1069473792.db2.gz DCMJRLJYOWUQNV-UHFFFAOYSA-N 1 0 452.599 3.529 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001306728113 1069474450 /nfs/dbraw/zinc/47/44/50/1069474450.db2.gz SRXLZQNUXJHAEG-HSZRJFAPSA-N 1 0 496.704 3.549 20 0 JHADRO CCCN(C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001311630851 1069478873 /nfs/dbraw/zinc/47/88/73/1069478873.db2.gz UUMAGQYCDMQFEK-ISJGIBHGSA-N 1 0 456.675 3.820 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1C(C)(C)C ZINC001306730075 1069480131 /nfs/dbraw/zinc/48/01/31/1069480131.db2.gz MAQIZFIAUYLCJC-FQEVSTJZSA-N 1 0 456.635 3.786 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1C(C)(C)C ZINC001306730076 1069480219 /nfs/dbraw/zinc/48/02/19/1069480219.db2.gz MAQIZFIAUYLCJC-HXUWFJFHSA-N 1 0 456.635 3.786 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001306730146 1069480674 /nfs/dbraw/zinc/48/06/74/1069480674.db2.gz MXNFEGBRNAUTPN-VWNXMTODSA-N 1 0 488.721 3.944 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1 ZINC001306729133 1069477062 /nfs/dbraw/zinc/47/70/62/1069477062.db2.gz WSPZPONCLORUNP-DEOSSOPVSA-N 1 0 482.673 3.591 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)NC)CC1 ZINC001306730643 1069482517 /nfs/dbraw/zinc/48/25/17/1069482517.db2.gz OJAVAUWRAPWYFL-HSZRJFAPSA-N 1 0 482.673 3.783 20 0 JHADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001311654290 1069490224 /nfs/dbraw/zinc/49/02/24/1069490224.db2.gz IYEDPTFSYUZLHR-JJXUHFIVSA-N 1 0 456.425 3.643 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001306731624 1069486957 /nfs/dbraw/zinc/48/69/57/1069486957.db2.gz RVAFJECFQHKHSW-MLCQCVOFSA-N 1 0 477.694 3.908 20 0 JHADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC001311646989 1069487748 /nfs/dbraw/zinc/48/77/48/1069487748.db2.gz ZHICHEJNCQNAJB-VXKWHMMOSA-N 1 0 452.599 3.825 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001306732106 1069488302 /nfs/dbraw/zinc/48/83/02/1069488302.db2.gz UZPGIAKBSADNLT-YTFSRNRJSA-N 1 0 457.667 3.798 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCSC[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001306732151 1069488754 /nfs/dbraw/zinc/48/87/54/1069488754.db2.gz VENXWIFRNPVOGP-YZUZCNPQSA-N 1 0 465.708 3.915 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306732335 1069489168 /nfs/dbraw/zinc/48/91/68/1069489168.db2.gz HJTOBTHFFGWGTC-KELBGUDLSA-N 1 0 495.716 3.906 20 0 JHADRO CCS(=O)(=O)c1ccccc1CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001311660445 1069492286 /nfs/dbraw/zinc/49/22/86/1069492286.db2.gz VEIAAANJUFIQAL-HSZRJFAPSA-N 1 0 457.640 3.795 20 0 JHADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC001311671896 1069497953 /nfs/dbraw/zinc/49/79/53/1069497953.db2.gz HSTNILUSYFXHEQ-IXDOHACOSA-N 1 0 455.430 3.827 20 0 JHADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC001311671809 1069498035 /nfs/dbraw/zinc/49/80/35/1069498035.db2.gz GNGVPFRHZCFOSX-HDAAZOAOSA-N 1 0 458.651 3.794 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCC2)C1 ZINC001306735404 1069499979 /nfs/dbraw/zinc/49/99/79/1069499979.db2.gz QTYUSIVZTIRZEG-GMAHTHKFSA-N 1 0 452.647 3.952 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc([C@H]3CCCO3)n2CC2CC[NH+](CCC)CC2)C1 ZINC001306737095 1069505283 /nfs/dbraw/zinc/50/52/83/1069505283.db2.gz VXBJYYARTCTQCV-ACIOBRDBSA-N 1 0 474.694 3.773 20 0 JHADRO 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CCCCNC(=O)C1CCN(c2nnc(C(C)C)n2CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC001306741537 1069517364 /nfs/dbraw/zinc/51/73/64/1069517364.db2.gz FGNRWOSFNWMJBA-UHFFFAOYSA-N 1 0 466.674 3.983 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001306741412 1069517574 /nfs/dbraw/zinc/51/75/74/1069517574.db2.gz BHGFOBSYTQJTOR-DHIUTWEWSA-N 1 0 481.689 3.517 20 0 JHADRO CC(C)(CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[N@@H+]1CCc2ccccc2C1 ZINC001311719933 1069519004 /nfs/dbraw/zinc/51/90/04/1069519004.db2.gz HAKAVOFVBADVKX-OAQYLSRUSA-N 1 0 458.965 3.721 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CC=CCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001306745394 1069527720 /nfs/dbraw/zinc/52/77/20/1069527720.db2.gz COFLHZKERVANKB-UHFFFAOYSA-N 1 0 482.673 3.925 20 0 JHADRO COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cc1 ZINC001311738366 1069528241 /nfs/dbraw/zinc/52/82/41/1069528241.db2.gz MRNTXJNTZSOBME-DEOSSOPVSA-N 1 0 455.574 3.872 20 0 JHADRO COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC001311737876 1069528395 /nfs/dbraw/zinc/52/83/95/1069528395.db2.gz GWWQVCSNXFQYMJ-HXUWFJFHSA-N 1 0 452.590 3.571 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001306744859 1069526447 /nfs/dbraw/zinc/52/64/47/1069526447.db2.gz DPFFBEVFOISKDS-JOCHJYFZSA-N 1 0 467.662 3.656 20 0 JHADRO Cc1ccc([C@H](CNC(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC001311744616 1069530476 /nfs/dbraw/zinc/53/04/76/1069530476.db2.gz IOHRGBCJGZKTHA-SFHVURJKSA-N 1 0 457.518 3.519 20 0 JHADRO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)NC[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001311747748 1069531653 /nfs/dbraw/zinc/53/16/53/1069531653.db2.gz LTPPGFVFCXLQQK-MCEYFSPLSA-N 1 0 456.631 3.987 20 0 JHADRO COc1ccc(Cl)cc1NC(=O)CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001311747033 1069531739 /nfs/dbraw/zinc/53/17/39/1069531739.db2.gz KSMHFKQXZRDQEP-IBGZPJMESA-N 1 0 458.990 3.889 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001306746827 1069533121 /nfs/dbraw/zinc/53/31/21/1069533121.db2.gz STYWYEIRQPKSIH-ZQIDGUAPSA-N 1 0 495.716 3.907 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)cc1OC ZINC001306748310 1069538004 /nfs/dbraw/zinc/53/80/04/1069538004.db2.gz FGSYGDFRRMVUDQ-MHZLTWQESA-N 1 0 498.672 3.531 20 0 JHADRO O=C(CNC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1)NCC[NH+]1CCCCCC1 ZINC001311759916 1069535280 /nfs/dbraw/zinc/53/52/80/1069535280.db2.gz NFPXYNZXJVJPTE-HSZRJFAPSA-N 1 0 457.018 3.915 20 0 JHADRO COc1ccc(C[NH+]2CCC(CNC(=O)N3CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C3)CC2)cc1 ZINC001311758807 1069535388 /nfs/dbraw/zinc/53/53/88/1069535388.db2.gz PUQPEURIXCSUMY-AUSIDOKSSA-N 1 0 459.631 3.917 20 0 JHADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC001311792279 1069547147 /nfs/dbraw/zinc/54/71/47/1069547147.db2.gz CAEOIFLJCAMIRJ-QHCPKHFHSA-N 1 0 451.055 3.723 20 0 JHADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC001311792277 1069547152 /nfs/dbraw/zinc/54/71/52/1069547152.db2.gz CAEOIFLJCAMIRJ-HSZRJFAPSA-N 1 0 451.055 3.723 20 0 JHADRO O=C(NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001311793762 1069547638 /nfs/dbraw/zinc/54/76/38/1069547638.db2.gz USQZOXKNYGQMBI-UHFFFAOYSA-N 1 0 450.027 3.617 20 0 JHADRO C[C@H](CNC(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)[N@@H+]1CCc2ccccc2C1 ZINC001311796157 1069549190 /nfs/dbraw/zinc/54/91/90/1069549190.db2.gz RIFXUAATTRNJQO-KCVHQNEMSA-N 1 0 456.631 3.912 20 0 JHADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001311796499 1069549817 /nfs/dbraw/zinc/54/98/17/1069549817.db2.gz BRJLRTYFLXQTDK-KRWDZBQOSA-N 1 0 451.409 3.792 20 0 JHADRO COc1ccc(CNC(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)c(C(F)(F)F)c1 ZINC001311800819 1069551785 /nfs/dbraw/zinc/55/17/85/1069551785.db2.gz ZMPSEBOFGXNWGT-UHFFFAOYSA-N 1 0 450.505 3.508 20 0 JHADRO COCCC[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2C(F)(F)F)CC1 ZINC001311805077 1069552858 /nfs/dbraw/zinc/55/28/58/1069552858.db2.gz NOJXGZUGPNYPSB-UHFFFAOYSA-N 1 0 452.315 3.768 20 0 JHADRO COc1cccc2[nH]cc(CCNC(=O)N[C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)c21 ZINC001311820882 1069560303 /nfs/dbraw/zinc/56/03/03/1069560303.db2.gz APLJEFXQESOGNB-QGZVFWFLSA-N 1 0 453.562 3.670 20 0 JHADRO CCCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001306761840 1069562385 /nfs/dbraw/zinc/56/23/85/1069562385.db2.gz JZFBJLNOZPETIF-JOCHJYFZSA-N 1 0 454.619 3.638 20 0 JHADRO CCCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001306769000 1069569134 /nfs/dbraw/zinc/56/91/34/1069569134.db2.gz PAWZODPAJJEXJR-MRXNPFEDSA-N 1 0 454.388 3.540 20 0 JHADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)C1 ZINC001311830572 1069567980 /nfs/dbraw/zinc/56/79/80/1069567980.db2.gz FIFMUAAILQTEHW-VWLOTQADSA-N 1 0 457.578 3.792 20 0 JHADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)NCc2cccc(CS(C)(=O)=O)c2)CCCCC1 ZINC001311831718 1069568827 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CCC[NH+]1CCC(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(OC)cc2OC)CC1 ZINC001307043281 1069774212 /nfs/dbraw/zinc/77/42/12/1069774212.db2.gz OJFGPYMRHQAAAR-QFIPXVFZSA-N 1 0 471.646 3.948 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001307043588 1069775284 /nfs/dbraw/zinc/77/52/84/1069775284.db2.gz ROMDQCFPGGIIGT-FGZHOGPDSA-N 1 0 490.693 3.740 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001307044929 1069779622 /nfs/dbraw/zinc/77/96/22/1069779622.db2.gz ASUNKTNUZLYZAR-HXOBKFHXSA-N 1 0 492.462 3.558 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCn2ccnn2)cc1 ZINC001314197339 1069777125 /nfs/dbraw/zinc/77/71/25/1069777125.db2.gz FHQAAMKIXPKELR-OAQYLSRUSA-N 1 0 496.660 3.809 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)NCC[C@@H]1COc2ccccc2O1 ZINC001312201801 1069777561 /nfs/dbraw/zinc/77/75/61/1069777561.db2.gz BSAXLDQJNJBSRO-HSZRJFAPSA-N 1 0 453.583 3.587 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCN([C@H](C)c3nc(C)no3)CC2)CC1 ZINC001307044600 1069778997 /nfs/dbraw/zinc/77/89/97/1069778997.db2.gz RSOWSQYVWSCOCG-LJQANCHMSA-N 1 0 472.682 3.563 20 0 JHADRO COc1cccc(CC2CCN(C(=O)NCc3ccccc3C[NH+]3CCC(O)CC3)CC2)c1 ZINC001312207511 1069782730 /nfs/dbraw/zinc/78/27/30/1069782730.db2.gz ZZBCBUXZYZXIHT-UHFFFAOYSA-N 1 0 451.611 3.816 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001307045798 1069783120 /nfs/dbraw/zinc/78/31/20/1069783120.db2.gz ORKCHRSKFHBXCA-NRFANRHFSA-N 1 0 479.572 3.697 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)c(OC)c3)n2CCC2(O)CCC2)CC1 ZINC001307045785 1069783312 /nfs/dbraw/zinc/78/33/12/1069783312.db2.gz ODSFEAYKDQVGRG-UHFFFAOYSA-N 1 0 457.619 3.578 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2CCn2cc(Cl)cn2)CC1 ZINC001307045791 1069783367 /nfs/dbraw/zinc/78/33/67/1069783367.db2.gz OHOYURUMJKGJRV-UHFFFAOYSA-N 1 0 463.417 3.854 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(OC)c3)n2CCN(C)CC(F)(F)F)CC1 ZINC001307046227 1069784512 /nfs/dbraw/zinc/78/45/12/1069784512.db2.gz TZKCLFGZTAVXPN-UHFFFAOYSA-N 1 0 468.568 3.758 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C)o3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001307045289 1069781572 /nfs/dbraw/zinc/78/15/72/1069781572.db2.gz HMGMAXJYGQIVPI-FQEVSTJZSA-N 1 0 480.604 3.513 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3nc(C)c(C)s3)CC2)C1 ZINC001307046717 1069785989 /nfs/dbraw/zinc/78/59/89/1069785989.db2.gz ZXEFPVKQRCMADQ-HXUWFJFHSA-N 1 0 459.708 3.999 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3nc(C)c(C)s3)CC2)C1 ZINC001307046716 1069786050 /nfs/dbraw/zinc/78/60/50/1069786050.db2.gz ZXEFPVKQRCMADQ-FQEVSTJZSA-N 1 0 459.708 3.999 20 0 JHADRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001312216105 1069787395 /nfs/dbraw/zinc/78/73/95/1069787395.db2.gz CXVXVHPGIBEGQC-LOSJGSFVSA-N 1 0 456.606 3.579 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N3CCC(C(N)=O)(c4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001307046958 1069787590 /nfs/dbraw/zinc/78/75/90/1069787590.db2.gz OTZVRJGZNAWCCX-UHFFFAOYSA-N 1 0 466.674 3.721 20 0 JHADRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001312216106 1069787686 /nfs/dbraw/zinc/78/76/86/1069787686.db2.gz CXVXVHPGIBEGQC-RPBOFIJWSA-N 1 0 456.606 3.579 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CCC(O)(Cc3ccccc3F)CC2)CC1 ZINC001307046924 1069787697 /nfs/dbraw/zinc/78/76/97/1069787697.db2.gz TWHOHNRIQVFYQY-UHFFFAOYSA-N 1 0 473.637 3.650 20 0 JHADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001312217569 1069788866 /nfs/dbraw/zinc/78/88/66/1069788866.db2.gz ACFUUNZRYGRDEK-FMWKFLBASA-N 1 0 462.610 3.790 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC001307047318 1069788985 /nfs/dbraw/zinc/78/89/85/1069788985.db2.gz YBKJWQINSSDQIK-CQSZACIVSA-N 1 0 457.463 3.868 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)C1 ZINC001307047398 1069789008 /nfs/dbraw/zinc/78/90/08/1069789008.db2.gz ZHVGBQURQIHRES-LVCYWYKZSA-N 1 0 497.562 3.754 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)C1 ZINC001307047696 1069790491 /nfs/dbraw/zinc/79/04/91/1069790491.db2.gz YPYBSOHSRGGXKT-BHIFYINESA-N 1 0 473.687 3.851 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CCOCC2)C1 ZINC001307047700 1069790506 /nfs/dbraw/zinc/79/05/06/1069790506.db2.gz YQPKSPHFCLNDBD-VXKWHMMOSA-N 1 0 490.693 3.945 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCCC[C@@H](SCC)C3)nnc2[C@]2(OCC)CCOC2)C1 ZINC001307047520 1069789733 /nfs/dbraw/zinc/78/97/33/1069789733.db2.gz UPABYGYSEXHUKZ-IMSXRSKXSA-N 1 0 465.708 3.774 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N3CCC(C(=O)NCC(F)(F)F)CC3)nnc2C(C)(C)C)CC1 ZINC001307047562 1069789893 /nfs/dbraw/zinc/78/98/93/1069789893.db2.gz VHJWGLZBJHQTGF-UHFFFAOYSA-N 1 0 472.600 3.593 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(N(CCOC)Cc3ccc4c(c3)OCO4)nnc2C(C)(C)C)C1 ZINC001307047754 1069791355 /nfs/dbraw/zinc/79/13/55/1069791355.db2.gz ZGXLBRIVBLUFPV-HXUWFJFHSA-N 1 0 457.619 3.689 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N(C)CC(=O)NC(C)C)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001307047757 1069791439 /nfs/dbraw/zinc/79/14/39/1069791439.db2.gz ZLNWTJKTOOEEPW-UHFFFAOYSA-N 1 0 466.674 3.831 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)cc3OC)n2CCc2ccncc2)CC1 ZINC001307048850 1069795241 /nfs/dbraw/zinc/79/52/41/1069795241.db2.gz AARKJLJHPAQAIE-UHFFFAOYSA-N 1 0 464.614 3.911 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)O)CC1 ZINC001307049958 1069798763 /nfs/dbraw/zinc/79/87/63/1069798763.db2.gz PQVHACDUEYOCHV-UHFFFAOYSA-N 1 0 468.415 3.928 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N(CC)Cc2ccc(C(=O)N(C)C)cc2)CC1 ZINC001307050006 1069798874 /nfs/dbraw/zinc/79/88/74/1069798874.db2.gz SYQCUIPGLSFUHB-XMMPIXPASA-N 1 0 482.673 3.980 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001307050190 1069799442 /nfs/dbraw/zinc/79/94/42/1069799442.db2.gz APPNAEUWZLVNMK-QFIPXVFZSA-N 1 0 468.646 3.770 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001307048857 1069795273 /nfs/dbraw/zinc/79/52/73/1069795273.db2.gz HGOMQVPLDXPLQW-ICSRJNTNSA-N 1 0 473.584 3.903 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(C)C)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 ZINC001307049162 1069796686 /nfs/dbraw/zinc/79/66/86/1069796686.db2.gz IROCJRJJESTIBU-JOCHJYFZSA-N 1 0 458.651 3.687 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccn3C)n2Cc2csc([C@@H](C)OC)n2)CC1 ZINC001307049204 1069796869 /nfs/dbraw/zinc/79/68/69/1069796869.db2.gz IWFQYWIQZZMPFY-QGZVFWFLSA-N 1 0 457.648 3.806 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001307050495 1069800678 /nfs/dbraw/zinc/80/06/78/1069800678.db2.gz XUKGIABFSQEETD-AREMUKBSSA-N 1 0 483.661 3.567 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(C)nn2C)CC1 ZINC001307051499 1069804451 /nfs/dbraw/zinc/80/44/51/1069804451.db2.gz PIGWFIQLJSPAJT-FGZHOGPDSA-N 1 0 457.667 3.598 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCCN(CC)C(=O)C3)n2C[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001314202443 1069802312 /nfs/dbraw/zinc/80/23/12/1069802312.db2.gz QHLVEKZMEKCBQW-FGZHOGPDSA-N 1 0 498.672 3.750 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccccc3OC)n2Cc2nccs2)CC1 ZINC001307051002 1069802536 /nfs/dbraw/zinc/80/25/36/1069802536.db2.gz JEDVBCLDYJHFME-UHFFFAOYSA-N 1 0 456.616 3.681 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001307051667 1069805122 /nfs/dbraw/zinc/80/51/22/1069805122.db2.gz RLDTYAXCNNZMDT-JOCHJYFZSA-N 1 0 456.610 3.989 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2ccc(F)cc2)CC1 ZINC001307051998 1069806731 /nfs/dbraw/zinc/80/67/31/1069806731.db2.gz PPLWXFWFUZWQSV-OAQYLSRUSA-N 1 0 456.610 3.657 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCOC1 ZINC001307052713 1069809136 /nfs/dbraw/zinc/80/91/36/1069809136.db2.gz DCRKBNCUQQSQCD-IRLDBZIGSA-N 1 0 489.064 3.599 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CCc3ccccc3)n2Cc2nnc(CC)s2)CC1 ZINC001307053161 1069810875 /nfs/dbraw/zinc/81/08/75/1069810875.db2.gz LEBFKNVFHCOXLI-UHFFFAOYSA-N 1 0 453.660 3.836 20 0 JHADRO COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001312253752 1069811514 /nfs/dbraw/zinc/81/15/14/1069811514.db2.gz LYJLKGKPCNCHBB-NNWRFLSQSA-N 1 0 450.583 3.718 20 0 JHADRO COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001312253750 1069811635 /nfs/dbraw/zinc/81/16/35/1069811635.db2.gz LYJLKGKPCNCHBB-FCEUIQTBSA-N 1 0 450.583 3.718 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(C)c1C ZINC001307053281 1069812026 /nfs/dbraw/zinc/81/20/26/1069812026.db2.gz CKNBWZQRUZOJEI-HXUWFJFHSA-N 1 0 457.026 3.936 20 0 JHADRO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C[N@@H+]1Cc1ccccc1 ZINC001312256535 1069815103 /nfs/dbraw/zinc/81/51/03/1069815103.db2.gz VPHBCNIODQHKIA-IDZYALCFSA-N 1 0 458.400 3.929 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001307053957 1069815383 /nfs/dbraw/zinc/81/53/83/1069815383.db2.gz GZYNUNOZIXAEEM-YLJYHZDGSA-N 1 0 491.478 3.790 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(OC)C1 ZINC001307054815 1069817374 /nfs/dbraw/zinc/81/73/74/1069817374.db2.gz MVJUNDVHXGATAH-INIZCTEOSA-N 1 0 451.413 3.525 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001307054653 1069817443 /nfs/dbraw/zinc/81/74/43/1069817443.db2.gz KRRKOGOXASOWQI-FQEVSTJZSA-N 1 0 474.053 3.563 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001307055557 1069822072 /nfs/dbraw/zinc/82/20/72/1069822072.db2.gz QCXANSRAOWTJDC-HSZRJFAPSA-N 1 0 454.663 3.757 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001307055009 1069819556 /nfs/dbraw/zinc/81/95/56/1069819556.db2.gz MWQPUBGAQZBOEU-RTWAWAEBSA-N 1 0 455.603 3.608 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001307055002 1069819737 /nfs/dbraw/zinc/81/97/37/1069819737.db2.gz MWQPUBGAQZBOEU-LEWJYISDSA-N 1 0 455.603 3.608 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001307055145 1069820696 /nfs/dbraw/zinc/82/06/96/1069820696.db2.gz OTKFSIBNBDBTAK-DENIHFKCSA-N 1 0 457.667 3.983 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](COC)C1 ZINC001307055972 1069824201 /nfs/dbraw/zinc/82/42/01/1069824201.db2.gz RUTFHEGNUZFORM-RTBURBONSA-N 1 0 492.462 3.824 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001307056114 1069825364 /nfs/dbraw/zinc/82/53/64/1069825364.db2.gz BWNIJLGONKLOFM-GMAHTHKFSA-N 1 0 468.646 3.820 20 0 JHADRO CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)[NH2+][C@@H](C)c1ccccc1 ZINC001312268620 1069825974 /nfs/dbraw/zinc/82/59/74/1069825974.db2.gz AFUZNLZMHAHDNI-BWPNAZKDSA-N 1 0 456.553 3.850 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307056351 1069826287 /nfs/dbraw/zinc/82/62/87/1069826287.db2.gz DKNMWNIUNIAILK-XZOQPEGZSA-N 1 0 491.677 3.676 20 0 JHADRO CC(C)C[C@@H](CNC(=O)N1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2)[NH2+][C@@H](C)c1ccccc1 ZINC001312269367 1069826681 /nfs/dbraw/zinc/82/66/81/1069826681.db2.gz HCAHSOJQEHTLJV-KXSJSVFLSA-N 1 0 453.631 3.710 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001307056439 1069827814 /nfs/dbraw/zinc/82/78/14/1069827814.db2.gz SWIOSIIBDSYTTP-IDISGSTGSA-N 1 0 498.672 3.579 20 0 JHADRO C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC001312275539 1069829684 /nfs/dbraw/zinc/82/96/84/1069829684.db2.gz IVUFFSSWESAIOG-CQSZACIVSA-N 1 0 450.381 3.981 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001307056833 1069830056 /nfs/dbraw/zinc/83/00/56/1069830056.db2.gz CJCAGKGTTUCJSQ-VXKWHMMOSA-N 1 0 491.677 3.676 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001307056890 1069830178 /nfs/dbraw/zinc/83/01/78/1069830178.db2.gz CUIULLQXQCEDIJ-HSZRJFAPSA-N 1 0 483.661 3.586 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307057051 1069831843 /nfs/dbraw/zinc/83/18/43/1069831843.db2.gz VCSXQRMMERAZCE-FGZHOGPDSA-N 1 0 473.687 3.922 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(C(C)C)n3Cc3cccc(C[NH+](C)C)c3)CC2)n1 ZINC001314210465 1069832461 /nfs/dbraw/zinc/83/24/61/1069832461.db2.gz CKUDURKYOWWXON-UHFFFAOYSA-N 1 0 463.630 3.632 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001307057398 1069834920 /nfs/dbraw/zinc/83/49/20/1069834920.db2.gz FGXBDZQJKALXPN-FUPPJEDESA-N 1 0 474.719 3.740 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001307058320 1069838059 /nfs/dbraw/zinc/83/80/59/1069838059.db2.gz YXUKPUDEBNGIBZ-IRLDBZIGSA-N 1 0 490.693 3.882 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307058731 1069840230 /nfs/dbraw/zinc/84/02/30/1069840230.db2.gz NFYCTNBEIWIAMD-VWLOTQADSA-N 1 0 466.674 3.823 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001307058594 1069840536 /nfs/dbraw/zinc/84/05/36/1069840536.db2.gz OBJFQXMBHPUEFK-GOSISDBHSA-N 1 0 477.028 3.860 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(C(C)C)n3C[C@H]3CCC[N@@H+](C(C)C)C3)CC2)n1 ZINC001314213804 1069841805 /nfs/dbraw/zinc/84/18/05/1069841805.db2.gz USNMSLLBGKDNII-NRFANRHFSA-N 1 0 455.651 3.642 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001307058339 1069839036 /nfs/dbraw/zinc/83/90/36/1069839036.db2.gz ZKYYBAPGKNNQMM-HMXCVIKNSA-N 1 0 474.694 3.770 20 0 JHADRO COC(=O)c1ccc(CNC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)cc1OC ZINC001312301849 1069847382 /nfs/dbraw/zinc/84/73/82/1069847382.db2.gz UOGYFFZZZVUDFE-UHFFFAOYSA-N 1 0 451.567 3.779 20 0 JHADRO CCOc1ccccc1OCc1nnc(N(C)[C@@H]2CCOC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314215044 1069845682 /nfs/dbraw/zinc/84/56/82/1069845682.db2.gz FRJBQPCDTIVOQV-LZCXECNNSA-N 1 0 471.646 3.991 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001307059559 1069846070 /nfs/dbraw/zinc/84/60/70/1069846070.db2.gz UTAPNEBGSJQRIM-QFIPXVFZSA-N 1 0 481.670 3.634 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CC[NH+]1CCCCCC1 ZINC001314215191 1069846556 /nfs/dbraw/zinc/84/65/56/1069846556.db2.gz CWKQOAASMXJQTH-NHCUHLMSSA-N 1 0 457.619 3.745 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001307059759 1069846874 /nfs/dbraw/zinc/84/68/74/1069846874.db2.gz ZYPXLPIXINSBMI-IRLDBZIGSA-N 1 0 473.065 3.879 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC001312306079 1069850745 /nfs/dbraw/zinc/85/07/45/1069850745.db2.gz RMLIUOBOFZHBCE-OTWHNJEPSA-N 1 0 454.315 3.505 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)[C@@H]1c1ccc(F)cc1 ZINC001312307283 1069851925 /nfs/dbraw/zinc/85/19/25/1069851925.db2.gz XJODLWBSKZGHCI-BZSNNMDCSA-N 1 0 456.509 3.515 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307061474 1069852995 /nfs/dbraw/zinc/85/29/95/1069852995.db2.gz GNTPGZGCTWGMEB-SJBKTWHCSA-N 1 0 483.661 3.954 20 0 JHADRO CCCN1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1=O ZINC001307062678 1069860190 /nfs/dbraw/zinc/86/01/90/1069860190.db2.gz SVQVSPFNCGXHSG-NRFANRHFSA-N 1 0 468.646 3.524 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001307063737 1069863657 /nfs/dbraw/zinc/86/36/57/1069863657.db2.gz WIMKJIGRYCYFJE-HXUWFJFHSA-N 1 0 470.643 3.578 20 0 JHADRO COc1cc[nH+]c(N2CCN(C(=O)NCCc3cc(Cl)ccc3Br)CC2)c1 ZINC001312329856 1069867485 /nfs/dbraw/zinc/86/74/85/1069867485.db2.gz ZSCHUILWCBWDQI-UHFFFAOYSA-N 1 0 453.768 3.580 20 0 JHADRO CCCN1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1=O ZINC001307065243 1069870004 /nfs/dbraw/zinc/87/00/04/1069870004.db2.gz BKUWPKDTXANLRQ-XMMPIXPASA-N 1 0 475.641 3.654 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+](C)C2CCCCC2)CC1=O ZINC001307065200 1069870320 /nfs/dbraw/zinc/87/03/20/1069870320.db2.gz ZMKOIGXKSCQSGJ-UHFFFAOYSA-N 1 0 468.646 3.667 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314222158 1069875549 /nfs/dbraw/zinc/87/55/49/1069875549.db2.gz HOBPRWJOHOEKGY-PCCBWWKXSA-N 1 0 457.619 3.601 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCO[C@H](c3noc(C(C)C)n3)C2)nnc1C(C)(C)C ZINC001307066846 1069876399 /nfs/dbraw/zinc/87/63/99/1069876399.db2.gz KTGGXKJFBSZYHR-OALUTQOASA-N 1 0 459.639 3.924 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)[C@H]2C)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001314222417 1069876494 /nfs/dbraw/zinc/87/64/94/1069876494.db2.gz KKVQOFNOFCUXGY-BDTNDASRSA-N 1 0 471.646 3.847 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+](CC)C(C)C)CC1=O ZINC001307065832 1069872589 /nfs/dbraw/zinc/87/25/89/1069872589.db2.gz RHEBOQMIUCWZRM-UHFFFAOYSA-N 1 0 461.054 3.701 20 0 JHADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001312337522 1069872436 /nfs/dbraw/zinc/87/24/36/1069872436.db2.gz SHYZUTUMAZUAPI-AOUJKTHWSA-N 1 0 457.619 3.696 20 0 JHADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001312337527 1069872490 /nfs/dbraw/zinc/87/24/90/1069872490.db2.gz SHYZUTUMAZUAPI-RQBNJVACSA-N 1 0 457.619 3.696 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N(C)CC(=O)NC(C)C)nnc1C1(c2ccccc2)CCC1 ZINC001307065949 1069873173 /nfs/dbraw/zinc/87/31/73/1069873173.db2.gz GQONYKVUGYPLCU-HSZRJFAPSA-N 1 0 466.674 3.973 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccccc2)[NH+](CC)CC)CC1=O ZINC001307066407 1069874503 /nfs/dbraw/zinc/87/45/03/1069874503.db2.gz NRDQWPJDUOGDGZ-XMMPIXPASA-N 1 0 475.641 3.872 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@@H](C(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001314222771 1069879068 /nfs/dbraw/zinc/87/90/68/1069879068.db2.gz NOXXYEVYCZGFJH-HXUWFJFHSA-N 1 0 459.660 3.787 20 0 JHADRO CC(C)(C)OCCCN1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001312358578 1069885451 /nfs/dbraw/zinc/88/54/51/1069885451.db2.gz YBDNAUPDCRMGDF-DSNGMDLFSA-N 1 0 456.675 3.820 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC001307072882 1069886778 /nfs/dbraw/zinc/88/67/78/1069886778.db2.gz NNKHSWBTAKYWML-CRAIPNDOSA-N 1 0 456.509 3.833 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001307070083 1069884642 /nfs/dbraw/zinc/88/46/42/1069884642.db2.gz WSOMQPDDQSVEKD-LJQANCHMSA-N 1 0 462.589 3.684 20 0 JHADRO CC(C)(C)OCCCN1CCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001312358579 1069885147 /nfs/dbraw/zinc/88/51/47/1069885147.db2.gz YBDNAUPDCRMGDF-ISJGIBHGSA-N 1 0 456.675 3.820 20 0 JHADRO CC(C)N1C(=O)C[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312363722 1069889482 /nfs/dbraw/zinc/88/94/82/1069889482.db2.gz DFCJWWRVNIWYJE-XUEUYAKLSA-N 1 0 450.986 3.657 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc(C(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CC2)n1 ZINC001314225516 1069890521 /nfs/dbraw/zinc/89/05/21/1069890521.db2.gz HYDTUAPDVIFIBW-HXUWFJFHSA-N 1 0 484.674 3.671 20 0 JHADRO CC(C)(COc1ncccc1C(F)(F)F)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC001312367604 1069890620 /nfs/dbraw/zinc/89/06/20/1069890620.db2.gz KNQWVNDMUDCSLQ-UHFFFAOYSA-N 1 0 451.493 3.869 20 0 JHADRO CC(C)N1C(=O)C[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312368878 1069892290 /nfs/dbraw/zinc/89/22/90/1069892290.db2.gz WSFGIOASWIIHJR-RBDMOPTHSA-N 1 0 450.986 3.799 20 0 JHADRO COc1ccc(C)cc1CN1CCN(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001312383083 1069898039 /nfs/dbraw/zinc/89/80/39/1069898039.db2.gz MIWJEZUNRHBNAM-ISKFKSNPSA-N 1 0 450.627 3.741 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCCO[C@@H](C)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314227187 1069899175 /nfs/dbraw/zinc/89/91/75/1069899175.db2.gz KHPGILCJKSQOOG-PMACEKPBSA-N 1 0 469.586 3.767 20 0 JHADRO CCOc1ccnc(N2CCN(c3nnc(-c4cccc(Cl)c4)n3C[C@H](C)[NH+](CC)CC)CC2)n1 ZINC001314227857 1069904136 /nfs/dbraw/zinc/90/41/36/1069904136.db2.gz XWZOLXODCZAKQH-IBGZPJMESA-N 1 0 499.063 3.844 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@@](C)(CC)C2)n1CC1([NH+](C)C)CCC1 ZINC001314229347 1069911260 /nfs/dbraw/zinc/91/12/60/1069911260.db2.gz SUTHYKDGNCUXEB-DEOSSOPVSA-N 1 0 457.619 3.745 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc(CC(C)C)n3CCC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC001314229265 1069911271 /nfs/dbraw/zinc/91/12/71/1069911271.db2.gz PXRIVVJSSBQMHN-QFIPXVFZSA-N 1 0 484.693 3.647 20 0 JHADRO 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CC(C)(C)OC(=O)N1CCC2(CC[N@H+](CC(=O)NCCOc3cccc(Cl)c3)C2)CC1 ZINC001307621707 1070084411 /nfs/dbraw/zinc/08/44/11/1070084411.db2.gz KVNFVKSRSKSHRT-UHFFFAOYSA-N 1 0 451.995 3.558 20 0 JHADRO CCOCc1nnc(N(C)CC(=O)Nc2c(C)cccc2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001314299758 1070083593 /nfs/dbraw/zinc/08/35/93/1070083593.db2.gz VVZRYQAYCMTYSG-OAQYLSRUSA-N 1 0 456.635 3.627 20 0 JHADRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC001307629303 1070088873 /nfs/dbraw/zinc/08/88/73/1070088873.db2.gz QEXHFKVELRHMRD-AWEZNQCLSA-N 1 0 457.017 3.771 20 0 JHADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001312698057 1070085679 /nfs/dbraw/zinc/08/56/79/1070085679.db2.gz NXTNDWMWKSMRDW-SDHSZQHLSA-N 1 0 450.627 3.549 20 0 JHADRO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@H](CC(C)C)c2ccc(Cl)cc2)C1=O ZINC001307626116 1070087230 /nfs/dbraw/zinc/08/72/30/1070087230.db2.gz WSBYHVVERWEJBR-YKSBVNFPSA-N 1 0 456.974 3.905 20 0 JHADRO COC(=O)c1sc(NC(=O)C[NH2+][C@H](C)c2ccccc2C(F)(F)F)c(C(=O)OC)c1C ZINC001307627255 1070088619 /nfs/dbraw/zinc/08/86/19/1070088619.db2.gz XLWYEKFVYIOZTL-LLVKDONJSA-N 1 0 458.458 3.938 20 0 JHADRO COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001312711243 1070089692 /nfs/dbraw/zinc/08/96/92/1070089692.db2.gz XYZJVEACNVJNCS-GFSYIJCISA-N 1 0 458.603 3.624 20 0 JHADRO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(Br)c2)cc(OC)c1OC ZINC001307629380 1070089759 /nfs/dbraw/zinc/08/97/59/1070089759.db2.gz GJYOFUDSIIWTLB-ZDUSSCGKSA-N 1 0 458.374 3.599 20 0 JHADRO C[C@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001307635986 1070093728 /nfs/dbraw/zinc/09/37/28/1070093728.db2.gz YHFXJOSTMYXMNQ-KRWDZBQOSA-N 1 0 459.575 3.953 20 0 JHADRO CC[C@@H]([NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC001307632744 1070092211 /nfs/dbraw/zinc/09/22/11/1070092211.db2.gz KYTYMRPAMFIIKN-NFBKMPQASA-N 1 0 457.621 3.732 20 0 JHADRO COc1ccc([C@@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)nc1 ZINC001312718155 1070092839 /nfs/dbraw/zinc/09/28/39/1070092839.db2.gz CBSOETXEXHPXTH-DEOSSOPVSA-N 1 0 451.571 3.560 20 0 JHADRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CC(=O)N2CC(=O)Nc3ccccc32)cc1OC ZINC001307640670 1070096197 /nfs/dbraw/zinc/09/61/97/1070096197.db2.gz UZTNYUHJTOVWTI-JOCHJYFZSA-N 1 0 459.546 3.871 20 0 JHADRO CC[C@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001307648951 1070100776 /nfs/dbraw/zinc/10/07/76/1070100776.db2.gz CVZPKKUHMXLDJC-FUHWJXTLSA-N 1 0 459.509 3.827 20 0 JHADRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)nn1 ZINC001307658766 1070107283 /nfs/dbraw/zinc/10/72/83/1070107283.db2.gz DTLNAHUPZAETFG-OAHLLOKOSA-N 1 0 451.474 3.962 20 0 JHADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)N3CCN(Cc4ccco4)CC3)s2)cc1 ZINC001307660524 1070108009 /nfs/dbraw/zinc/10/80/09/1070108009.db2.gz ZWDVUHDDOVDIEY-KRWDZBQOSA-N 1 0 454.596 3.715 20 0 JHADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)N3CCN(Cc4ccco4)CC3)s2)cc1 ZINC001307660570 1070108159 /nfs/dbraw/zinc/10/81/59/1070108159.db2.gz ZWDVUHDDOVDIEY-QGZVFWFLSA-N 1 0 454.596 3.715 20 0 JHADRO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Cl)c(Cl)c1 ZINC001312775646 1070115280 /nfs/dbraw/zinc/11/52/80/1070115280.db2.gz ZZDPMQJURQWSMM-KDOFPFPSSA-N 1 0 453.345 3.840 20 0 JHADRO C[NH+](C)C[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Cl)c(Cl)c1 ZINC001312775648 1070115308 /nfs/dbraw/zinc/11/53/08/1070115308.db2.gz ZZDPMQJURQWSMM-KSSFIOAISA-N 1 0 453.345 3.840 20 0 JHADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC001307678894 1070120541 /nfs/dbraw/zinc/12/05/41/1070120541.db2.gz KJQQEYFFLGASNN-FQEVSTJZSA-N 1 0 457.372 3.903 20 0 JHADRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)C1(C)C ZINC001307683172 1070123714 /nfs/dbraw/zinc/12/37/14/1070123714.db2.gz ISRZIRZUEUVLPA-BWKNWUBXSA-N 1 0 457.640 3.711 20 0 JHADRO OCC[N@H+](C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCOCC1 ZINC001307692407 1070130337 /nfs/dbraw/zinc/13/03/37/1070130337.db2.gz MJUUAIHABPYRLY-JOCHJYFZSA-N 1 0 454.394 3.934 20 0 JHADRO CCOCc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001314334503 1070128835 /nfs/dbraw/zinc/12/88/35/1070128835.db2.gz QAMSJXFORLTPPJ-MBSDFSHPSA-N 1 0 462.038 3.902 20 0 JHADRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)NCc2ccccc2COc2ccccc2)C1 ZINC001307693282 1070130318 /nfs/dbraw/zinc/13/03/18/1070130318.db2.gz CRSSSCZBZATLJU-RBBKRZOGSA-N 1 0 453.583 3.728 20 0 JHADRO OCC1(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)CCCC1 ZINC001307687457 1070126504 /nfs/dbraw/zinc/12/65/04/1070126504.db2.gz AORIICXACUMMKK-MAUKXSAKSA-N 1 0 450.377 3.940 20 0 JHADRO O=C(CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001307690021 1070127365 /nfs/dbraw/zinc/12/73/65/1070127365.db2.gz GCJRAGKFPYLKFJ-URXFXBBRSA-N 1 0 455.624 3.801 20 0 JHADRO C[C@H]1CN(Cc2nnc(-c3ccc4cc(Br)ccc4c3)o2)CC[N@@H+]1CC(C)(C)O ZINC001307689398 1070127426 /nfs/dbraw/zinc/12/74/26/1070127426.db2.gz RKRBLFPSYNIMMC-HNNXBMFYSA-N 1 0 459.388 3.929 20 0 JHADRO C[C@@H]1CN(Cc2nnc(-c3ccc4cc(Br)ccc4c3)o2)CC[N@@H+]1CC(C)(C)O ZINC001307689399 1070127456 /nfs/dbraw/zinc/12/74/56/1070127456.db2.gz RKRBLFPSYNIMMC-OAHLLOKOSA-N 1 0 459.388 3.929 20 0 JHADRO C[NH+]1CCC(CNC(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)(c2ccccc2)CC1 ZINC001312802688 1070131576 /nfs/dbraw/zinc/13/15/76/1070131576.db2.gz YJUQIORHVQLVOT-NRFANRHFSA-N 1 0 456.631 3.739 20 0 JHADRO CCOCc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314336803 1070131916 /nfs/dbraw/zinc/13/19/16/1070131916.db2.gz ZCPMVLFUBQUTFH-HTAPYJJXSA-N 1 0 475.600 3.855 20 0 JHADRO CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)[NH+](C)C)cc1 ZINC001312807475 1070134952 /nfs/dbraw/zinc/13/49/52/1070134952.db2.gz YYJVJDUNPVFVBE-SYYKKAFVSA-N 1 0 462.635 3.879 20 0 JHADRO O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC001307705067 1070135938 /nfs/dbraw/zinc/13/59/38/1070135938.db2.gz ILLNJPMJKKXEMQ-GGAORHGYSA-N 1 0 452.378 3.952 20 0 JHADRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)[C@H](C)C1 ZINC001307705700 1070136827 /nfs/dbraw/zinc/13/68/27/1070136827.db2.gz BECOOKMFPRURPX-YLJYHZDGSA-N 1 0 455.628 3.957 20 0 JHADRO CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[NH2+][C@@H]3CC[C@H](C)C[C@H]3C)C2=O)cc1 ZINC001307708617 1070137968 /nfs/dbraw/zinc/13/79/68/1070137968.db2.gz NDIALPSXKKWVKA-VCALYELQSA-N 1 0 459.612 3.652 20 0 JHADRO CC(C)(C)CCOc1cnccc1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001312814545 1070138085 /nfs/dbraw/zinc/13/80/85/1070138085.db2.gz SVRBPZZODVWAQW-XZOQPEGZSA-N 1 0 454.615 3.579 20 0 JHADRO CCOCc1nnc(N2CCC(c3cnn(C)c3)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314341300 1070140277 /nfs/dbraw/zinc/14/02/77/1070140277.db2.gz YTVIXTGSZQWXPK-NHCUHLMSSA-N 1 0 457.667 3.690 20 0 JHADRO CCOCc1nnc(N2CCC(CCCO)CC2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001314341453 1070141140 /nfs/dbraw/zinc/14/11/40/1070141140.db2.gz HNOCNMBZXYYJJD-REWPJTCUSA-N 1 0 461.676 3.948 20 0 JHADRO Cc1c(Cl)cccc1NC(=O)CNC(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001307716294 1070142228 /nfs/dbraw/zinc/14/22/28/1070142228.db2.gz NWIRBKHIZXWFDR-QFIPXVFZSA-N 1 0 457.018 3.593 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCc1cccc(F)c1F ZINC001314342310 1070143408 /nfs/dbraw/zinc/14/34/08/1070143408.db2.gz CKADQMOBPIHCHU-KDURUIRLSA-N 1 0 477.600 3.661 20 0 JHADRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCC(=O)Nc2ccc(OCc3ccccc3)cc2)O1 ZINC001307719916 1070145191 /nfs/dbraw/zinc/14/51/91/1070145191.db2.gz QVBSFTDWGSBXOS-QMTRIVCPSA-N 1 0 452.551 3.778 20 0 JHADRO CCO[C@@H]1C[C@@](CO)(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1(C)C ZINC001312838453 1070147965 /nfs/dbraw/zinc/14/79/65/1070147965.db2.gz FKMCQROVZIXKLX-VNAWGFGGSA-N 1 0 469.601 3.659 20 0 JHADRO COc1cccc(S(=O)(=O)CC[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1 ZINC001307728983 1070152934 /nfs/dbraw/zinc/15/29/34/1070152934.db2.gz IQDGGDMZGSYLGT-UHFFFAOYSA-N 1 0 459.486 3.663 20 0 JHADRO CC[NH+]1CCC(N2CCCN(C(=O)NCc3cccc(Br)c3Cl)CC2)CC1 ZINC001312869802 1070160893 /nfs/dbraw/zinc/16/08/93/1070160893.db2.gz BLDKZHAHPSNKKK-UHFFFAOYSA-N 1 0 457.844 3.804 20 0 JHADRO CCOCc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001314350756 1070168328 /nfs/dbraw/zinc/16/83/28/1070168328.db2.gz CMHAIEWJHCYLPY-QFIPXVFZSA-N 1 0 482.654 3.578 20 0 JHADRO NC(=O)c1ccc(NC(=O)CC[NH2+][C@H](c2cncc(Br)c2)C2CC2)cc1Cl ZINC001307766776 1070175234 /nfs/dbraw/zinc/17/52/34/1070175234.db2.gz CCYCHPGSKWBHIQ-SFHVURJKSA-N 1 0 451.752 3.666 20 0 JHADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC001307768644 1070176194 /nfs/dbraw/zinc/17/61/94/1070176194.db2.gz SYOIMMXMNYHERG-XQQFMLRXSA-N 1 0 452.304 3.513 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314354087 1070174732 /nfs/dbraw/zinc/17/47/32/1070174732.db2.gz DBKHBFONUXDOML-UHFFFAOYSA-N 1 0 459.660 3.522 20 0 JHADRO CCOCc1nnc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1CCN(C)CC(F)(F)F ZINC001314356999 1070178439 /nfs/dbraw/zinc/17/84/39/1070178439.db2.gz XBMSCVYJJJVBEK-UHFFFAOYSA-N 1 0 494.606 3.801 20 0 JHADRO COC(=O)Cc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001312922724 1070181906 /nfs/dbraw/zinc/18/19/06/1070181906.db2.gz IGEHQOKJEDPUKT-UHFFFAOYSA-N 1 0 451.489 3.694 20 0 JHADRO C[C@@H](NC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312925312 1070183541 /nfs/dbraw/zinc/18/35/41/1070183541.db2.gz ICCWDLWZIHWQSS-YSTOQKLRSA-N 1 0 451.652 3.664 20 0 JHADRO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC001307792561 1070184685 /nfs/dbraw/zinc/18/46/85/1070184685.db2.gz XXYJDKWLMXGYMG-HXUWFJFHSA-N 1 0 458.411 3.826 20 0 JHADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c(OC)c1 ZINC001307794870 1070185322 /nfs/dbraw/zinc/18/53/22/1070185322.db2.gz XFBPBEVOUGUANX-HSZRJFAPSA-N 1 0 456.558 3.888 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314363327 1070189611 /nfs/dbraw/zinc/18/96/11/1070189611.db2.gz DCLRZNIELWFBGT-LEWJYISDSA-N 1 0 478.682 3.676 20 0 JHADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)N3C[C@@H](c4ccccc4)[C@@](F)(CO)C3)ccc2c1 ZINC001307804480 1070190315 /nfs/dbraw/zinc/19/03/15/1070190315.db2.gz IZPQAAHPGUXSFP-BYGVMDBSSA-N 1 0 450.554 3.995 20 0 JHADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001307803483 1070190503 /nfs/dbraw/zinc/19/05/03/1070190503.db2.gz JOMCTQCNWGKNKP-CPNJWEJPSA-N 1 0 458.502 3.745 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1Cc1nccc(C(F)F)n1 ZINC001314365258 1070194187 /nfs/dbraw/zinc/19/41/87/1070194187.db2.gz LIPIACAQFNJHDX-MSOLQXFVSA-N 1 0 463.577 3.681 20 0 JHADRO CC[N@H+](CCCNC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)C1CCCCC1 ZINC001312963909 1070202148 /nfs/dbraw/zinc/20/21/48/1070202148.db2.gz LEBBEEHVRXETGD-UHFFFAOYSA-N 1 0 453.631 3.609 20 0 JHADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001307838345 1070206535 /nfs/dbraw/zinc/20/65/35/1070206535.db2.gz UPLZJNCXUXAOBQ-LEWJYISDSA-N 1 0 465.660 3.680 20 0 JHADRO CC(C)N(C(=O)C[NH+]1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1)C1CCCC1 ZINC001307839459 1070207261 /nfs/dbraw/zinc/20/72/61/1070207261.db2.gz HLUYOOQIMHJSBO-UNMCSNQZSA-N 1 0 451.652 3.950 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](n3nc(C)cc3C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314370372 1070207350 /nfs/dbraw/zinc/20/73/50/1070207350.db2.gz WPHQXAAOUPDACP-DHIUTWEWSA-N 1 0 469.609 3.911 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001312987321 1070207832 /nfs/dbraw/zinc/20/78/32/1070207832.db2.gz BPAORRQQKJKCSM-YPAWHYETSA-N 1 0 460.594 3.798 20 0 JHADRO COC(=O)c1ccc(C[NH+]2CCC([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)cc1F ZINC001307840602 1070207966 /nfs/dbraw/zinc/20/79/66/1070207966.db2.gz SZYSBVHWOVDNFJ-GHTZIAJQSA-N 1 0 450.551 3.897 20 0 JHADRO CC(C)c1ccc(CN(C(=O)C[NH2+]C2(CO)CCN(C(=O)OC(C)(C)C)CC2)C2CC2)cc1 ZINC001307849389 1070210420 /nfs/dbraw/zinc/21/04/20/1070210420.db2.gz MUDWBCIQEMLCJD-UHFFFAOYSA-N 1 0 459.631 3.653 20 0 JHADRO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307859015 1070213356 /nfs/dbraw/zinc/21/33/56/1070213356.db2.gz NOBZRKIDPQUJET-QRVBRYPASA-N 1 0 454.615 3.924 20 0 JHADRO CCOCc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001314377392 1070218782 /nfs/dbraw/zinc/21/87/82/1070218782.db2.gz QYXHENJNIYWAIF-OAQYLSRUSA-N 1 0 488.702 3.597 20 0 JHADRO CCOCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 ZINC001314377831 1070219403 /nfs/dbraw/zinc/21/94/03/1070219403.db2.gz HJQVVLFZSVTOSH-OAQYLSRUSA-N 1 0 482.673 3.846 20 0 JHADRO CCOCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001314378588 1070221682 /nfs/dbraw/zinc/22/16/82/1070221682.db2.gz MGLQSGWVXDOAEX-QFIPXVFZSA-N 1 0 494.606 3.726 20 0 JHADRO CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC001307873738 1070218824 /nfs/dbraw/zinc/21/88/24/1070218824.db2.gz HHBMVBIKBVKSBT-DHNSVNLKSA-N 1 0 457.596 3.502 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)C1(C)C ZINC001307888874 1070227006 /nfs/dbraw/zinc/22/70/06/1070227006.db2.gz YWVBKNADWSAGNZ-GVDBMIGSSA-N 1 0 452.393 3.836 20 0 JHADRO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001313024635 1070224680 /nfs/dbraw/zinc/22/46/80/1070224680.db2.gz NXODIJRGSNRLOH-FQEVSTJZSA-N 1 0 450.421 3.714 20 0 JHADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001313023933 1070224734 /nfs/dbraw/zinc/22/47/34/1070224734.db2.gz RXWMQDVMZIXCKE-HXUWFJFHSA-N 1 0 453.414 3.868 20 0 JHADRO C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001307897327 1070229926 /nfs/dbraw/zinc/22/99/26/1070229926.db2.gz NEORSIHNVIONIZ-DYESRHJHSA-N 1 0 458.603 3.533 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001314384812 1070230126 /nfs/dbraw/zinc/23/01/26/1070230126.db2.gz ZZSXDFQBDKREEO-QFIPXVFZSA-N 1 0 474.694 3.556 20 0 JHADRO Cc1ccccc1[C@H]([NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCC(C)CC1 ZINC001307896370 1070230197 /nfs/dbraw/zinc/23/01/97/1070230197.db2.gz CKWZRCGORPUULX-WKBCRJLYSA-N 1 0 455.624 3.689 20 0 JHADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCO[C@@H](c3c(F)cccc3Cl)C2)CC1 ZINC001307899565 1070231021 /nfs/dbraw/zinc/23/10/21/1070231021.db2.gz BHGNQRZSSQQTCC-HSZRJFAPSA-N 1 0 459.993 3.942 20 0 JHADRO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)s1 ZINC001307903463 1070232366 /nfs/dbraw/zinc/23/23/66/1070232366.db2.gz CTLFQUBBGHVYCW-BQFCYCMXSA-N 1 0 453.605 3.604 20 0 JHADRO CCOCc1nnc(N2CCN(c3cccc(C)c3C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314388118 1070237660 /nfs/dbraw/zinc/23/76/60/1070237660.db2.gz FVOLPDQXJYKWNG-IFMALSPDSA-N 1 0 454.663 3.878 20 0 JHADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC001313048164 1070235321 /nfs/dbraw/zinc/23/53/21/1070235321.db2.gz PCNPGRXCTKKKDY-FQEVSTJZSA-N 1 0 454.537 3.712 20 0 JHADRO CNC(=O)CC1(CNC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)CCCCC1 ZINC001313054839 1070237289 /nfs/dbraw/zinc/23/72/89/1070237289.db2.gz SVSQJUCQAXTSIA-UHFFFAOYSA-N 1 0 456.553 3.865 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314388810 1070240230 /nfs/dbraw/zinc/24/02/30/1070240230.db2.gz MQKOZVFZWRYCDB-YOSAUDMPSA-N 1 0 475.707 3.665 20 0 JHADRO CCS(=O)(=O)CCCCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 ZINC001307918632 1070240935 /nfs/dbraw/zinc/24/09/35/1070240935.db2.gz HJNIMHQSHBTNFT-VXKWHMMOSA-N 1 0 468.660 3.983 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2nc3ccccc3c(=O)n2C)cc1 ZINC001307919329 1070241044 /nfs/dbraw/zinc/24/10/44/1070241044.db2.gz RJLRPVIVKFLHNJ-REWPJTCUSA-N 1 0 478.593 3.825 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC001313074904 1070241617 /nfs/dbraw/zinc/24/16/17/1070241617.db2.gz MPBFAEXTKDXUIS-MRXNPFEDSA-N 1 0 451.415 3.779 20 0 JHADRO C[C@H]1CN(C(=O)C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)CC(C)(C)O1 ZINC001307919733 1070241912 /nfs/dbraw/zinc/24/19/12/1070241912.db2.gz UHYPFFSECAXIPO-IOMROCGXSA-N 1 0 463.594 3.534 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCc1ccccc1OC(F)F ZINC001314389609 1070241976 /nfs/dbraw/zinc/24/19/76/1070241976.db2.gz BPQYRTAONAZMOO-SFHVURJKSA-N 1 0 463.573 3.969 20 0 JHADRO COc1ccc(OC)c([C@@H](O)[C@H](C)NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001313089052 1070246952 /nfs/dbraw/zinc/24/69/52/1070246952.db2.gz DGGZYHQMMURYFR-DFBJGRDBSA-N 1 0 455.599 3.727 20 0 JHADRO CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001313090563 1070247734 /nfs/dbraw/zinc/24/77/34/1070247734.db2.gz OKVDVMVUBNKKAD-OAQYLSRUSA-N 1 0 456.660 3.778 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001314390792 1070244554 /nfs/dbraw/zinc/24/45/54/1070244554.db2.gz PBYWLXFVBHQGFD-UHFFFAOYSA-N 1 0 453.509 3.668 20 0 JHADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001313082943 1070244821 /nfs/dbraw/zinc/24/48/21/1070244821.db2.gz XXSIPIXUIMMNSK-XZOQPEGZSA-N 1 0 456.631 3.987 20 0 JHADRO CCOCc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314392765 1070249889 /nfs/dbraw/zinc/24/98/89/1070249889.db2.gz VBSNDBYYLOJUQV-VXKWHMMOSA-N 1 0 498.720 3.811 20 0 JHADRO COC(=O)c1cnc(C2CC[NH+](CCC(=O)Nc3cccc(Br)c3)CC2)s1 ZINC001307940485 1070251588 /nfs/dbraw/zinc/25/15/88/1070251588.db2.gz GZHSENQGFUPMBC-UHFFFAOYSA-N 1 0 452.374 3.900 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)CC(C)(C)C1 ZINC001313123167 1070258725 /nfs/dbraw/zinc/25/87/25/1070258725.db2.gz UOFOHMUAAYWJHK-OAQYLSRUSA-N 1 0 456.631 3.940 20 0 JHADRO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC001307949092 1070254587 /nfs/dbraw/zinc/25/45/87/1070254587.db2.gz OSNIMZHIACVXCR-GOBFGZNJSA-N 1 0 471.623 3.892 20 0 JHADRO CCOCc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001314396753 1070255524 /nfs/dbraw/zinc/25/55/24/1070255524.db2.gz NQONHVGQJIHCOA-UHFFFAOYSA-N 1 0 486.661 3.702 20 0 JHADRO CCOCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCc1ncc(CC)s1 ZINC001314396420 1070255822 /nfs/dbraw/zinc/25/58/22/1070255822.db2.gz LGTNFPWWXQDURB-LJQANCHMSA-N 1 0 454.644 3.787 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001313120043 1070256962 /nfs/dbraw/zinc/25/69/62/1070256962.db2.gz NCWBUFLCFWSCLN-XGAFWQRZSA-N 1 0 450.599 3.982 20 0 JHADRO CCOCc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1Cc1cnn(CC(C)C)c1C ZINC001314397895 1070257864 /nfs/dbraw/zinc/25/78/64/1070257864.db2.gz WXNLFRNVEPPECI-UHFFFAOYSA-N 1 0 465.646 3.654 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)CC(C)(C)C1 ZINC001313123166 1070258902 /nfs/dbraw/zinc/25/89/02/1070258902.db2.gz UOFOHMUAAYWJHK-NRFANRHFSA-N 1 0 456.631 3.940 20 0 JHADRO CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001314399796 1070260373 /nfs/dbraw/zinc/26/03/73/1070260373.db2.gz DRMVRYAQDLQYOB-UKILVPOCSA-N 1 0 455.647 3.896 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c2ccccc2)cc1 ZINC001307964035 1070261086 /nfs/dbraw/zinc/26/10/86/1070261086.db2.gz IGXCTOAAPYHRNF-ISKFKSNPSA-N 1 0 457.640 3.641 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@@H](O)c2cccc(OC)c2)cc1 ZINC001313131723 1070261941 /nfs/dbraw/zinc/26/19/41/1070261941.db2.gz AOJQSPJTHKYNCJ-OYUWMTPXSA-N 1 0 475.589 3.705 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)N[C@H](CCO)C2CCCC2)cc1 ZINC001313134165 1070263571 /nfs/dbraw/zinc/26/35/71/1070263571.db2.gz YYQQOSICBSWGAO-JIMJEQGWSA-N 1 0 451.611 3.904 20 0 JHADRO CCOCc1nnc(N2CCO[C@@](C)(CC)C2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001314403536 1070265848 /nfs/dbraw/zinc/26/58/48/1070265848.db2.gz VEAVVBLLYPUSEY-OFVILXPXSA-N 1 0 457.619 3.666 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccco3)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001314403820 1070266418 /nfs/dbraw/zinc/26/64/18/1070266418.db2.gz NOPBEBMWZYXTFQ-HSZRJFAPSA-N 1 0 453.587 3.874 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CCC[NH+]1CCCC1 ZINC001314406305 1070269376 /nfs/dbraw/zinc/26/93/76/1070269376.db2.gz GRFXOSDSBXTPFY-HXUWFJFHSA-N 1 0 451.974 3.671 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001314407809 1070271953 /nfs/dbraw/zinc/27/19/53/1070271953.db2.gz NEJQYTIALPXJGB-GCJKJVERSA-N 1 0 463.573 3.793 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001314413342 1070279276 /nfs/dbraw/zinc/27/92/76/1070279276.db2.gz UCSMPYOWQCCMDP-UXHICEINSA-N 1 0 488.633 3.738 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314416734 1070282603 /nfs/dbraw/zinc/28/26/03/1070282603.db2.gz ADRBCGQNVCFUTB-QPPBQGQZSA-N 1 0 471.646 3.563 20 0 JHADRO CCOCc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001314415056 1070280524 /nfs/dbraw/zinc/28/05/24/1070280524.db2.gz ZBXBDPFZOWZSSC-ACRUOGEOSA-N 1 0 476.666 3.525 20 0 JHADRO CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001313180883 1070284400 /nfs/dbraw/zinc/28/44/00/1070284400.db2.gz WXASRTUMSGHPSJ-UHFFFAOYSA-N 1 0 458.628 3.892 20 0 JHADRO C[NH+]1CCC(CNC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)(c2ccccc2)CC1 ZINC001313187012 1070286405 /nfs/dbraw/zinc/28/64/05/1070286405.db2.gz QUGHFSHATIRNSS-UHFFFAOYSA-N 1 0 450.583 3.566 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001314420763 1070291612 /nfs/dbraw/zinc/29/16/12/1070291612.db2.gz WNWDQAHGCXWOAI-FPOVZHCZSA-N 1 0 462.683 3.570 20 0 JHADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001313216085 1070295455 /nfs/dbraw/zinc/29/54/55/1070295455.db2.gz KURSZGGPNNYJNW-HSZRJFAPSA-N 1 0 458.002 3.920 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)NCCC3(O)CC[NH+](Cc4ccccc4)CC3)C2)cc1F ZINC001313216306 1070295637 /nfs/dbraw/zinc/29/56/37/1070295637.db2.gz NMYHQEADDWANDH-JOCHJYFZSA-N 1 0 455.574 3.750 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C[C@H]1C(F)(F)F ZINC001308058722 1070296472 /nfs/dbraw/zinc/29/64/72/1070296472.db2.gz DOYCXFCRBNHARO-HLLBOEOZSA-N 1 0 457.493 3.543 20 0 JHADRO COC(=O)C1CC2(C1)C[N@H+](Cc1ccccc1OCC(F)(F)F)C[C@H]2C(=O)OC(C)(C)C ZINC001308063732 1070298336 /nfs/dbraw/zinc/29/83/36/1070298336.db2.gz BXEFETSWCJQAFY-JQHMZKTJSA-N 1 0 457.489 3.971 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001314423874 1070300222 /nfs/dbraw/zinc/30/02/22/1070300222.db2.gz QNVNIYLANHTUNP-QPPBQGQZSA-N 1 0 455.647 3.923 20 0 JHADRO C[C@H](NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC001313238970 1070302337 /nfs/dbraw/zinc/30/23/37/1070302337.db2.gz BFTNACMOZKEETQ-HTAPYJJXSA-N 1 0 451.489 3.925 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCn1ccc(C(F)(F)F)n1 ZINC001313235721 1070301349 /nfs/dbraw/zinc/30/13/49/1070301349.db2.gz FAUJGWVSDLMZOW-UHFFFAOYSA-N 1 0 451.415 3.694 20 0 JHADRO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001308077306 1070304457 /nfs/dbraw/zinc/30/44/57/1070304457.db2.gz HNHMHBDSNXRMCB-HUUCEWRRSA-N 1 0 474.465 3.952 20 0 JHADRO CCOc1ccc(CN(C)C(=O)NCC2([N@H+](C)Cc3ccccc3)CCOCC2)cc1OC ZINC001313266561 1070310241 /nfs/dbraw/zinc/31/02/41/1070310241.db2.gz WDXRKZBFROFNDU-UHFFFAOYSA-N 1 0 455.599 3.917 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314429219 1070310865 /nfs/dbraw/zinc/31/08/65/1070310865.db2.gz HNFDCLAXQXUZRU-FCHUYYIVSA-N 1 0 461.676 3.540 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314428207 1070308990 /nfs/dbraw/zinc/30/89/90/1070308990.db2.gz FFBBGBGKYVZMGO-QHAWAJNXSA-N 1 0 471.646 3.704 20 0 JHADRO COC(=O)c1cnc(CNC(=O)N2CC[N@H+](CCCc3ccccc3)C[C@H]2CC(C)C)s1 ZINC001313300965 1070320647 /nfs/dbraw/zinc/32/06/47/1070320647.db2.gz XZGVLESDQQJSMF-HXUWFJFHSA-N 1 0 458.628 3.804 20 0 JHADRO CCOC(=O)C1([C@H](C)[NH2+]CC(=O)Nc2cc3oc4ccccc4c3cc2OC)CCOCC1 ZINC001308121953 1070320739 /nfs/dbraw/zinc/32/07/39/1070320739.db2.gz RYVSWHMLWYIJAY-INIZCTEOSA-N 1 0 454.523 3.871 20 0 JHADRO CCOC[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)C1 ZINC001314435750 1070322719 /nfs/dbraw/zinc/32/27/19/1070322719.db2.gz FLLJNNQMEIZFEP-FCHUYYIVSA-N 1 0 492.709 3.986 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314436744 1070323984 /nfs/dbraw/zinc/32/39/84/1070323984.db2.gz PMGOATUAWYDPBO-VWPQPMDRSA-N 1 0 476.065 3.884 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001314436742 1070324217 /nfs/dbraw/zinc/32/42/17/1070324217.db2.gz PMGOATUAWYDPBO-KCZVDYSFSA-N 1 0 476.065 3.884 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314436704 1070324528 /nfs/dbraw/zinc/32/45/28/1070324528.db2.gz OQSCXWASRHTOBP-VWPQPMDRSA-N 1 0 473.637 3.759 20 0 JHADRO Cc1cccnc1[C@@H]([NH2+]CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(C)(C)C ZINC001308145878 1070328589 /nfs/dbraw/zinc/32/85/89/1070328589.db2.gz VAKZCMFFRDXSIE-HSZRJFAPSA-N 1 0 458.628 3.880 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314438512 1070326026 /nfs/dbraw/zinc/32/60/26/1070326026.db2.gz YQJGWJKSTORAGC-HXUWFJFHSA-N 1 0 451.619 3.581 20 0 JHADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC001313320510 1070326912 /nfs/dbraw/zinc/32/69/12/1070326912.db2.gz YPKZEERSUOEHJS-FOIQADDNSA-N 1 0 450.546 3.690 20 0 JHADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c1 ZINC001308172543 1070335451 /nfs/dbraw/zinc/33/54/51/1070335451.db2.gz FZERBPOPTFAJTH-FXJWSJNKSA-N 1 0 458.603 3.989 20 0 JHADRO Fc1ccc(I)c(F)c1C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC001308190840 1070338285 /nfs/dbraw/zinc/33/82/85/1070338285.db2.gz NGNKRPLDNAHBOE-GOSISDBHSA-N 1 0 458.290 3.733 20 0 JHADRO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]Cc3ccc(S(=O)(=O)N(C)C)cc3)n2c1 ZINC001308203335 1070340408 /nfs/dbraw/zinc/34/04/08/1070340408.db2.gz VIHKPTBHFXIKKI-UHFFFAOYSA-N 1 0 452.555 3.989 20 0 JHADRO COc1cc(C[NH2+]Cc2ccccc2OCC(=O)NC[C@@H]2CCCO2)cc(C(F)(F)F)c1 ZINC001308210246 1070341032 /nfs/dbraw/zinc/34/10/32/1070341032.db2.gz FIMUZOGTRHAOFN-IBGZPJMESA-N 1 0 452.473 3.678 20 0 JHADRO O[C@@H](C[NH2+]Cc1ccc(I)s1)COc1ccc(C(F)(F)F)cc1 ZINC001308224740 1070342679 /nfs/dbraw/zinc/34/26/79/1070342679.db2.gz BXYGOWMVUUOQBW-NSHDSACASA-N 1 0 457.255 3.901 20 0 JHADRO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1Br ZINC001308248953 1070345611 /nfs/dbraw/zinc/34/56/11/1070345611.db2.gz VAEKSSLBDSSWJU-SFHVURJKSA-N 1 0 453.402 3.505 20 0 JHADRO CCOCCC1(Cn2c(N3CCC[N@@H+](C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001314450337 1070346086 /nfs/dbraw/zinc/34/60/86/1070346086.db2.gz YBDOJANCMJZFSD-AREMUKBSSA-N 1 0 477.694 3.836 20 0 JHADRO CCOCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001314451337 1070349004 /nfs/dbraw/zinc/34/90/04/1070349004.db2.gz BLADSIIHFQYGJK-OYRHEFFESA-N 1 0 459.635 3.989 20 0 JHADRO CCc1noc(-c2ccc(CC[NH2+]Cc3cn(-c4ccccc4Br)nn3)cc2)n1 ZINC001308251405 1070346188 /nfs/dbraw/zinc/34/61/88/1070346188.db2.gz JCWXICXINMNHOK-UHFFFAOYSA-N 1 0 453.344 3.975 20 0 JHADRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC001308255845 1070347031 /nfs/dbraw/zinc/34/70/31/1070347031.db2.gz VIGHTAYKARJBQJ-CQSZACIVSA-N 1 0 456.274 3.964 20 0 JHADRO CC(C)[C@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)NC(=O)OC(C)(C)C ZINC001308262650 1070347570 /nfs/dbraw/zinc/34/75/70/1070347570.db2.gz ZAXAXSWFPSPJPG-FQEVSTJZSA-N 1 0 456.027 3.690 20 0 JHADRO CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001313409114 1070350153 /nfs/dbraw/zinc/35/01/53/1070350153.db2.gz GGIVLYFJWNNNSJ-UHFFFAOYSA-N 1 0 457.619 3.872 20 0 JHADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC001308277463 1070350478 /nfs/dbraw/zinc/35/04/78/1070350478.db2.gz GWWRORRNGAUULO-UHFFFAOYSA-N 1 0 455.282 3.954 20 0 JHADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCc2ncc(Br)n2C1 ZINC001313418863 1070354053 /nfs/dbraw/zinc/35/40/53/1070354053.db2.gz MXTVWZAHDGLNPV-HNNXBMFYSA-N 1 0 454.438 3.576 20 0 JHADRO CCOc1cc(C[NH2+][C@H](CC)C2CCOCC2)cc(Br)c1OCC(=O)N(C)C ZINC001308300300 1070353434 /nfs/dbraw/zinc/35/34/34/1070353434.db2.gz NRTWTTTWECKSOO-GOSISDBHSA-N 1 0 457.409 3.610 20 0 JHADRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 ZINC001308329900 1070357780 /nfs/dbraw/zinc/35/77/80/1070357780.db2.gz DZJKYLOHZALOHE-XXBNENTESA-N 1 0 456.587 3.794 20 0 JHADRO CNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC001308371740 1070363503 /nfs/dbraw/zinc/36/35/03/1070363503.db2.gz XVIXHSLJEOVHPS-INIZCTEOSA-N 1 0 456.178 3.667 20 0 JHADRO CC1(c2cccc(Br)c2)CCC([NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001308346455 1070360079 /nfs/dbraw/zinc/36/00/79/1070360079.db2.gz HYPJPDFIMWJNNJ-KOQKOIQBSA-N 1 0 456.446 3.975 20 0 JHADRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3cccc(Br)c3OC(F)F)C2)nc1 ZINC001308366272 1070361377 /nfs/dbraw/zinc/36/13/77/1070361377.db2.gz KWBUWXVSJUDARH-UHFFFAOYSA-N 1 0 456.287 3.601 20 0 JHADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)CC1 ZINC001308364768 1070361833 /nfs/dbraw/zinc/36/18/33/1070361833.db2.gz AAUSCADLDQQMPO-UHFFFAOYSA-N 1 0 459.443 3.698 20 0 JHADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC001308378098 1070364560 /nfs/dbraw/zinc/36/45/60/1070364560.db2.gz TWMOMDXGGYFMHK-OAHLLOKOSA-N 1 0 454.386 3.871 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(Br)c1 ZINC001313447317 1070366108 /nfs/dbraw/zinc/36/61/08/1070366108.db2.gz GWBUORZOOHVTSV-IBGZPJMESA-N 1 0 477.451 3.690 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001313447242 1070366285 /nfs/dbraw/zinc/36/62/85/1070366285.db2.gz IZPXDONLCQITDU-ACRUOGEOSA-N 1 0 486.636 3.927 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCO[C@H](C)C1 ZINC001313447325 1070366995 /nfs/dbraw/zinc/36/69/95/1070366995.db2.gz HBELGTJKMWOEQC-IRLDBZIGSA-N 1 0 454.619 3.637 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313447670 1070368171 /nfs/dbraw/zinc/36/81/71/1070368171.db2.gz MOXRGDXYJDYNOU-VXKWHMMOSA-N 1 0 452.647 3.869 20 0 JHADRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1OC(F)F ZINC001308402166 1070370649 /nfs/dbraw/zinc/37/06/49/1070370649.db2.gz UDRRTTLZXKGDGW-DOMZBBRYSA-N 1 0 455.365 3.557 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001313448526 1070370979 /nfs/dbraw/zinc/37/09/79/1070370979.db2.gz BBOFPLNLAYJMQD-RBUKOAKNSA-N 1 0 475.435 3.503 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313449146 1070374067 /nfs/dbraw/zinc/37/40/67/1070374067.db2.gz VPVDVNCMHAVEHC-UFYCRDLUSA-N 1 0 488.608 3.709 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C)C1 ZINC001313449242 1070374188 /nfs/dbraw/zinc/37/41/88/1070374188.db2.gz WMVZSOMBPWCLMM-CABCVRRESA-N 1 0 454.438 3.869 20 0 JHADRO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)ccc1OCc1ccc(Br)cc1 ZINC001308434965 1070375115 /nfs/dbraw/zinc/37/51/15/1070375115.db2.gz AYNHQYBUVDQVQU-UYAOXDASSA-N 1 0 450.373 3.914 20 0 JHADRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)cc(I)c2)c1 ZINC001308443662 1070376476 /nfs/dbraw/zinc/37/64/76/1070376476.db2.gz ORALXEPSQCDKTP-UHFFFAOYSA-N 1 0 450.729 3.606 20 0 JHADRO CC(C)(C)OC(=O)NCc1cn(-c2cccc(C[NH2+]Cc3ccc(-n4cccn4)cc3)c2)nn1 ZINC001308480166 1070380437 /nfs/dbraw/zinc/38/04/37/1070380437.db2.gz SMBBDIKCAUPWAD-UHFFFAOYSA-N 1 0 459.554 3.768 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cnn(C)c1C ZINC001313450955 1070378482 /nfs/dbraw/zinc/37/84/82/1070378482.db2.gz PINATOLQTJQDLP-IBGZPJMESA-N 1 0 457.573 3.700 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1)CC(F)(F)F ZINC001308463797 1070378649 /nfs/dbraw/zinc/37/86/49/1070378649.db2.gz COHXJPZIEKALLP-NVXWUHKLSA-N 1 0 451.917 3.981 20 0 JHADRO COc1ccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c(OCc2cccnc2)c1 ZINC001308464379 1070378672 /nfs/dbraw/zinc/37/86/72/1070378672.db2.gz UMKWOFCZEQCACB-RLWLMLJZSA-N 1 0 477.609 3.881 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001313451085 1070379169 /nfs/dbraw/zinc/37/91/69/1070379169.db2.gz UMXBGNLNYYXHNA-QHAWAJNXSA-N 1 0 460.667 3.525 20 0 JHADRO Cc1nn(-c2ccc(Br)cc2)cc1CNc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001308468503 1070379430 /nfs/dbraw/zinc/37/94/30/1070379430.db2.gz OJDLXYPABNYBNH-UHFFFAOYSA-N 1 0 456.388 3.847 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001313452298 1070382624 /nfs/dbraw/zinc/38/26/24/1070382624.db2.gz KFJBQRTYIZJREV-QFIPXVFZSA-N 1 0 481.670 3.504 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313452532 1070382866 /nfs/dbraw/zinc/38/28/66/1070382866.db2.gz LINROXCSVJQIAK-IRFCIJBXSA-N 1 0 481.563 3.930 20 0 JHADRO Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001308524499 1070385578 /nfs/dbraw/zinc/38/55/78/1070385578.db2.gz YOBNYVBESBGGKS-FTGVLYPRSA-N 1 0 458.356 3.709 20 0 JHADRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)c1 ZINC001308514479 1070384051 /nfs/dbraw/zinc/38/40/51/1070384051.db2.gz VQRHFSRLMMQJOF-XCLFUZPHSA-N 1 0 452.345 3.839 20 0 JHADRO COC1(OC)CCOC[C@@H]1CC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC001308526670 1070385719 /nfs/dbraw/zinc/38/57/19/1070385719.db2.gz WCMYIRDGPNTQBS-KRWDZBQOSA-N 1 0 452.393 3.757 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001313453696 1070385928 /nfs/dbraw/zinc/38/59/28/1070385928.db2.gz TXSICDDVGYYVBL-RTWAWAEBSA-N 1 0 489.064 3.880 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001313453542 1070386336 /nfs/dbraw/zinc/38/63/36/1070386336.db2.gz YLCNZALJRLYYGY-VWNXMTODSA-N 1 0 466.674 3.745 20 0 JHADRO CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)cc1 ZINC001308527615 1070386401 /nfs/dbraw/zinc/38/64/01/1070386401.db2.gz MPCVJRHQPFRULK-RUZDIDTESA-N 1 0 453.608 3.703 20 0 JHADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001308538956 1070387021 /nfs/dbraw/zinc/38/70/21/1070387021.db2.gz DIBIVLDBSKENDT-NRFANRHFSA-N 1 0 455.386 3.949 20 0 JHADRO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]CCOCCOCC(=O)OC(C)(C)C)cc12 ZINC001308545944 1070387567 /nfs/dbraw/zinc/38/75/67/1070387567.db2.gz JUMFFNRPYNVQLH-UHFFFAOYSA-N 1 0 454.999 3.613 20 0 JHADRO Cc1ccc(-c2ncc(C[NH2+][C@H]3CC(=O)N(C4CN(C(=O)OC(C)(C)C)C4)C3)s2)cc1C ZINC001308541625 1070387766 /nfs/dbraw/zinc/38/77/66/1070387766.db2.gz CFCDTLUYGQETEZ-SFHVURJKSA-N 1 0 456.612 3.737 20 0 JHADRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC(=O)N(C4CN(C(=O)OC(C)(C)C)C4)C3)s2)cc1C ZINC001308541624 1070387921 /nfs/dbraw/zinc/38/79/21/1070387921.db2.gz CFCDTLUYGQETEZ-GOSISDBHSA-N 1 0 456.612 3.737 20 0 JHADRO COc1cc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001308546724 1070387953 /nfs/dbraw/zinc/38/79/53/1070387953.db2.gz UZAGOACTRMXFGS-XUZZJYLKSA-N 1 0 475.948 3.796 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC(F)(F)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313455264 1070391830 /nfs/dbraw/zinc/39/18/30/1070391830.db2.gz LFYICOLRFHXWGD-GOSISDBHSA-N 1 0 487.599 3.887 20 0 JHADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)cnn1C ZINC001308567246 1070392185 /nfs/dbraw/zinc/39/21/85/1070392185.db2.gz SADHOSUBVCRKCC-UPVQGACJSA-N 1 0 455.647 3.618 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC001313458003 1070400842 /nfs/dbraw/zinc/40/08/42/1070400842.db2.gz RCXWMKPHBFSQGN-NRFANRHFSA-N 1 0 467.662 3.670 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)CC)n2CC2([NH+]3CCSCC3)CCCC2)C1 ZINC001313457808 1070399623 /nfs/dbraw/zinc/39/96/23/1070399623.db2.gz HEJAVIDCVVQIBI-NHCUHLMSSA-N 1 0 476.735 3.896 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001308603064 1070400018 /nfs/dbraw/zinc/40/00/18/1070400018.db2.gz FPPSWWLUWZYTPV-UTKZUKDTSA-N 1 0 451.558 3.735 20 0 JHADRO NS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1Cl ZINC001308604403 1070400119 /nfs/dbraw/zinc/40/01/19/1070400119.db2.gz YAYGMXUTRUSSHA-XMMPIXPASA-N 1 0 456.995 3.824 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001308603065 1070400263 /nfs/dbraw/zinc/40/02/63/1070400263.db2.gz FPPSWWLUWZYTPV-UWJYYQICSA-N 1 0 451.558 3.735 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cnn1C ZINC001308620479 1070403452 /nfs/dbraw/zinc/40/34/52/1070403452.db2.gz WBJRXMMQNYNPBB-NQIIRXRSSA-N 1 0 456.587 3.978 20 0 JHADRO C[NH+](C)CCOc1ccccc1N1CCN(Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC001308625002 1070404042 /nfs/dbraw/zinc/40/40/42/1070404042.db2.gz VRRCEFATAFOYHO-UHFFFAOYSA-N 1 0 454.018 3.847 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCCCCO)c2ccccc2c1=O ZINC001313459047 1070405230 /nfs/dbraw/zinc/40/52/30/1070405230.db2.gz HUXGDXZMXIJFNA-UHFFFAOYSA-N 1 0 495.672 3.538 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@H]1CC ZINC001314492705 1070406081 /nfs/dbraw/zinc/40/60/81/1070406081.db2.gz AFAPYVRDVQYLRZ-CEXWTWQISA-N 1 0 488.599 3.647 20 0 JHADRO Cc1ccccc1C[NH+]1CCN(Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)CC1 ZINC001308649120 1070410013 /nfs/dbraw/zinc/41/00/13/1070410013.db2.gz GPLYIDIDLWITOX-UHFFFAOYSA-N 1 0 454.615 3.963 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1CC ZINC001314494591 1070410636 /nfs/dbraw/zinc/41/06/36/1070410636.db2.gz SUDUFPDTKIEADK-QFIPXVFZSA-N 1 0 490.693 3.906 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(N(C)C)nc2)C[C@H]1CC ZINC001314494775 1070411127 /nfs/dbraw/zinc/41/11/27/1070411127.db2.gz AUXKPTWEJMEPKO-OAQYLSRUSA-N 1 0 481.620 3.531 20 0 JHADRO COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC001308630292 1070406768 /nfs/dbraw/zinc/40/67/68/1070406768.db2.gz CFEYREKBQPJHFZ-UHFFFAOYSA-N 1 0 455.555 3.839 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C[C@H]21 ZINC001308638747 1070408373 /nfs/dbraw/zinc/40/83/73/1070408373.db2.gz ZZHAIFGXLFALID-WJFTUGDTSA-N 1 0 453.624 3.984 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@H]1CC ZINC001314494129 1070409305 /nfs/dbraw/zinc/40/93/05/1070409305.db2.gz NOIPPJGWWMFFIE-CJFMBICVSA-N 1 0 461.651 3.630 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)C)n2Cc2nc(C(F)(F)F)cs2)C[C@@H]1CC ZINC001314495371 1070413743 /nfs/dbraw/zinc/41/37/43/1070413743.db2.gz XGSYJMPKBWZXIQ-HNNXBMFYSA-N 1 0 460.570 3.862 20 0 JHADRO Cc1ccc(-n2c(Cl)c(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)nc2N(C)C)cc1 ZINC001308684340 1070417466 /nfs/dbraw/zinc/41/74/66/1070417466.db2.gz SJOLWVORGHKCTG-JOCHJYFZSA-N 1 0 454.018 3.757 20 0 JHADRO COC(=O)[C@H](C)Oc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC001308681470 1070417492 /nfs/dbraw/zinc/41/74/92/1070417492.db2.gz AXGQIYCURKMSKA-PXNSSMCTSA-N 1 0 454.571 3.858 20 0 JHADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001308681278 1070416710 /nfs/dbraw/zinc/41/67/10/1070416710.db2.gz YXOQXUWAXOEFTG-OAHLLOKOSA-N 1 0 453.402 3.883 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[N@H+](C)C(C)C)C1 ZINC001313462012 1070418737 /nfs/dbraw/zinc/41/87/37/1070418737.db2.gz LSSFYPSOHHYFGF-NRFANRHFSA-N 1 0 479.629 3.683 20 0 JHADRO CCOCCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001314496779 1070418940 /nfs/dbraw/zinc/41/89/40/1070418940.db2.gz UNOKCGBHCAVROY-SZPZYZBQSA-N 1 0 483.705 3.564 20 0 JHADRO CCOCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001314497049 1070419567 /nfs/dbraw/zinc/41/95/67/1070419567.db2.gz WSBMQSSAKRWLCN-FQEVSTJZSA-N 1 0 461.054 3.631 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCSC2)C[C@H]1CC ZINC001314496922 1070419699 /nfs/dbraw/zinc/41/96/99/1070419699.db2.gz NVZFGQSSRONVGD-PZJWPPBQSA-N 1 0 459.660 3.644 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cc(C)no2)C[C@@H]1CC ZINC001314498727 1070424731 /nfs/dbraw/zinc/42/47/31/1070424731.db2.gz FVKRAFSCBGZIHD-NRFANRHFSA-N 1 0 473.021 3.804 20 0 JHADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC001308717691 1070425222 /nfs/dbraw/zinc/42/52/22/1070425222.db2.gz JYHZKPBAVYNUSN-CQSZACIVSA-N 1 0 450.461 3.878 20 0 JHADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC001308732720 1070428450 /nfs/dbraw/zinc/42/84/50/1070428450.db2.gz TYWJYVJHNHKFTN-PKOBYXMFSA-N 1 0 457.434 3.541 20 0 JHADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC001308726442 1070426116 /nfs/dbraw/zinc/42/61/16/1070426116.db2.gz HMTYOBSNNCOHQN-KBPBESRZSA-N 1 0 457.461 3.956 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CSCCS2)C[C@H]1CC ZINC001314499312 1070427248 /nfs/dbraw/zinc/42/72/48/1070427248.db2.gz XPFRKSPDNAUYPN-RTWAWAEBSA-N 1 0 467.749 3.797 20 0 JHADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)s1 ZINC001308749521 1070430280 /nfs/dbraw/zinc/43/02/80/1070430280.db2.gz CHNBEVPANSBGGH-ZNMIVQPWSA-N 1 0 452.024 3.744 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2Cc2c(C)noc2C)C[C@H]1CC ZINC001314500351 1070430618 /nfs/dbraw/zinc/43/06/18/1070430618.db2.gz UJBPEMYXGFVUSX-HSZRJFAPSA-N 1 0 466.630 3.768 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC)n2Cc2c(C)nn(-c3ccccc3)c2C)C[C@H]1CC ZINC001314500360 1070430823 /nfs/dbraw/zinc/43/08/23/1070430823.db2.gz UOTIWIUMHAAKDK-JOCHJYFZSA-N 1 0 465.646 3.628 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cccc(F)c2)C[C@@H]1CC ZINC001314500461 1070431624 /nfs/dbraw/zinc/43/16/24/1070431624.db2.gz VWIWFLVTCQFSCY-QHCPKHFHSA-N 1 0 466.605 3.967 20 0 JHADRO Cn1nc(C(F)(F)F)c(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c1Cl ZINC001308769202 1070434354 /nfs/dbraw/zinc/43/43/54/1070434354.db2.gz CJZZLBGFVGXSRJ-VIFPVBQESA-N 1 0 458.681 3.935 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001313465930 1070435302 /nfs/dbraw/zinc/43/53/02/1070435302.db2.gz QJCSCPGFUPWDFH-JTHBVZDNSA-N 1 0 474.694 3.917 20 0 JHADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3C[C@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC001308809275 1070441217 /nfs/dbraw/zinc/44/12/17/1070441217.db2.gz MPUPXPZTJLGKSB-WIYYLYMNSA-N 1 0 465.978 3.736 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3C[N@@H+](C/C=C/c4cccc(F)c4)CC[C@@H]32)CC1 ZINC001308817419 1070441845 /nfs/dbraw/zinc/44/18/45/1070441845.db2.gz FMXPAHLFXYFYNC-QTTKRLLDSA-N 1 0 458.578 3.707 20 0 JHADRO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)C3(C)C)on2)C1 ZINC001308819033 1070442800 /nfs/dbraw/zinc/44/28/00/1070442800.db2.gz DJPSNDSYYYFMHX-GOSISDBHSA-N 1 0 450.580 3.887 20 0 JHADRO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001308839338 1070445171 /nfs/dbraw/zinc/44/51/71/1070445171.db2.gz CNJYXOQVMAMAMW-FUMNGEBKSA-N 1 0 481.678 3.732 20 0 JHADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC001308840671 1070445940 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CCCOc1ncccc1Cn1c([C@H](C)CC)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001313517502 1070579938 /nfs/dbraw/zinc/57/99/38/1070579938.db2.gz FWABSLZHFCWMKM-HXUWFJFHSA-N 1 0 456.635 3.572 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@@H+]2CC)n1 ZINC001314582745 1070596789 /nfs/dbraw/zinc/59/67/89/1070596789.db2.gz NUCZTCZFXPOUSJ-IAGOWNOFSA-N 1 0 458.636 3.601 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001313525060 1070597688 /nfs/dbraw/zinc/59/76/88/1070597688.db2.gz YVIREWWINUSWRI-DHIUTWEWSA-N 1 0 474.694 3.697 20 0 JHADRO CCSc1cc(Cn2c(Cc3ccncc3)nnc2N2CCC([NH2+]C(C)C)CC2)ccn1 ZINC001314585171 1070604041 /nfs/dbraw/zinc/60/40/41/1070604041.db2.gz BOGTUDAIJCDNHU-UHFFFAOYSA-N 1 0 451.644 3.786 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001313526389 1070600583 /nfs/dbraw/zinc/60/05/83/1070600583.db2.gz OQTZVTATWOJGKD-XZOQPEGZSA-N 1 0 474.694 3.999 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[NH+](C)C)n1 ZINC001314585666 1070606014 /nfs/dbraw/zinc/60/60/14/1070606014.db2.gz ZTTPUAFNAXEKPY-DODZYUBVSA-N 1 0 479.695 3.980 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001313528676 1070608213 /nfs/dbraw/zinc/60/82/13/1070608213.db2.gz QNXNFUZJYXUHIO-JTHBVZDNSA-N 1 0 471.646 3.708 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314588103 1070612245 /nfs/dbraw/zinc/61/22/45/1070612245.db2.gz IJGYRSPCALQRKA-SLFFLAALSA-N 1 0 450.697 3.791 20 0 JHADRO O=S(=O)(N[C@H](CO)c1cccc(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309214214 1070612959 /nfs/dbraw/zinc/61/29/59/1070612959.db2.gz YAEKAJIBLFVRGS-ISJGIBHGSA-N 1 0 472.557 3.586 20 0 JHADRO COC(=O)CC(C)(C)NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309214451 1070612971 /nfs/dbraw/zinc/61/29/71/1070612971.db2.gz ICNMLVJTMKKYMF-LEWJYISDSA-N 1 0 465.015 3.569 20 0 JHADRO CCS[C@H]1CC[C@H](N(C)c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314590113 1070617758 /nfs/dbraw/zinc/61/77/58/1070617758.db2.gz WOAHCIIXUNCTSU-PMACEKPBSA-N 1 0 462.708 3.747 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001314593518 1070628193 /nfs/dbraw/zinc/62/81/93/1070628193.db2.gz XMEJCHOEJNBMDE-OFVILXPXSA-N 1 0 495.734 3.542 20 0 JHADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC001309235389 1070633604 /nfs/dbraw/zinc/63/36/04/1070633604.db2.gz JCLGQBJWJFVEJN-QGZVFWFLSA-N 1 0 453.967 3.580 20 0 JHADRO CCC[C@@H]1C[C@H]1n1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001313542357 1070635804 /nfs/dbraw/zinc/63/58/04/1070635804.db2.gz GIHMFFAMNDPRPX-MXEMCNAFSA-N 1 0 476.666 3.868 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccn3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001314601433 1070652962 /nfs/dbraw/zinc/65/29/62/1070652962.db2.gz UGASLVZCTBWQGY-NJDAHSKKSA-N 1 0 460.692 3.895 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001313546868 1070656606 /nfs/dbraw/zinc/65/66/06/1070656606.db2.gz UEEACRJFOAIBSY-IRLDBZIGSA-N 1 0 483.661 3.584 20 0 JHADRO CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314603150 1070657150 /nfs/dbraw/zinc/65/71/50/1070657150.db2.gz ZKBAQHAGCWNFFC-MOPGFXCFSA-N 1 0 497.713 3.890 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314603153 1070657202 /nfs/dbraw/zinc/65/72/02/1070657202.db2.gz ZKBAQHAGCWNFFC-RTBURBONSA-N 1 0 497.713 3.890 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313548690 1070663046 /nfs/dbraw/zinc/66/30/46/1070663046.db2.gz OWNCSZYAQXFGRR-KSZLIROESA-N 1 0 458.676 3.529 20 0 JHADRO C[C@@H](CCNS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O)[N@H+](C)Cc1ccccc1 ZINC001309269174 1070659082 /nfs/dbraw/zinc/65/90/82/1070659082.db2.gz GSMTVNQQGFTKKM-HNNXBMFYSA-N 1 0 455.407 3.788 20 0 JHADRO CCN(C)C(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001313557991 1070675180 /nfs/dbraw/zinc/67/51/80/1070675180.db2.gz OOCYCWRWKJVMAP-UHFFFAOYSA-N 1 0 498.722 3.783 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC2COC(C)(C)OC2)c1 ZINC001313571789 1070686116 /nfs/dbraw/zinc/68/61/16/1070686116.db2.gz HLIIXZOIILAZGA-HSZRJFAPSA-N 1 0 471.646 3.855 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCC(O)(C(F)(F)F)CC2)c1 ZINC001313572754 1070686767 /nfs/dbraw/zinc/68/67/67/1070686767.db2.gz BCIUMIGWIPVLLA-UHFFFAOYSA-N 1 0 488.558 3.658 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CCC(O)(C(F)(F)F)CC2)c1 ZINC001313572602 1070686872 /nfs/dbraw/zinc/68/68/72/1070686872.db2.gz MYEOIBCAEJKPRC-UHFFFAOYSA-N 1 0 474.531 3.734 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(C)cs2)c1 ZINC001313574384 1070689952 /nfs/dbraw/zinc/68/99/52/1070689952.db2.gz ZTEQVADYJOXDOS-NRFANRHFSA-N 1 0 452.628 3.736 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC001313576658 1070693390 /nfs/dbraw/zinc/69/33/90/1070693390.db2.gz ZITYBYYCSANAEU-HSZRJFAPSA-N 1 0 482.673 3.714 20 0 JHADRO CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CCCCC1 ZINC001313579142 1070697806 /nfs/dbraw/zinc/69/78/06/1070697806.db2.gz WFUDWLDANAUMDP-KNQAVFIVSA-N 1 0 480.723 3.844 20 0 JHADRO CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@@H+]1C1CCCCC1)C1CCCCC1 ZINC001313579141 1070697843 /nfs/dbraw/zinc/69/78/43/1070697843.db2.gz WFUDWLDANAUMDP-DENIHFKCSA-N 1 0 480.723 3.844 20 0 JHADRO CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[N@@H+]1CCCO)C(C)C ZINC001313582405 1070703427 /nfs/dbraw/zinc/70/34/27/1070703427.db2.gz NUVPJPNICNOYGC-LJQANCHMSA-N 1 0 450.425 3.789 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001314624120 1070708005 /nfs/dbraw/zinc/70/80/05/1070708005.db2.gz MVKIPMQUYZNRFR-SFTDATJTSA-N 1 0 492.709 3.549 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001314624367 1070709146 /nfs/dbraw/zinc/70/91/46/1070709146.db2.gz FNFRJACTHABOHU-QFIPXVFZSA-N 1 0 496.656 3.607 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001314624964 1070711046 /nfs/dbraw/zinc/71/10/46/1070711046.db2.gz KEWHXDXMKFCZLA-CPJSRVTESA-N 1 0 492.734 3.894 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(C2CCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001314627596 1070721022 /nfs/dbraw/zinc/72/10/22/1070721022.db2.gz AYZWGEANVLULHU-INIZCTEOSA-N 1 0 499.607 3.600 20 0 JHADRO CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[N@@H+]1CCCO)C(C)C ZINC001313588118 1070714612 /nfs/dbraw/zinc/71/46/12/1070714612.db2.gz QZAAUAUVORIUFR-QGZVFWFLSA-N 1 0 468.415 3.928 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1[N@H+](C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313588231 1070715164 /nfs/dbraw/zinc/71/51/64/1070715164.db2.gz RWEGGQAPRQWHRA-FXAWDEMLSA-N 1 0 498.068 3.871 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313588238 1070715339 /nfs/dbraw/zinc/71/53/39/1070715339.db2.gz RWJWYJWAYQUJPE-WOJBJXKFSA-N 1 0 480.078 3.732 20 0 JHADRO CCN(c1nnc(-c2ccccc2)n1CCCCC[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313590460 1070718176 /nfs/dbraw/zinc/71/81/76/1070718176.db2.gz QOZRGQTVNOZVFW-QFIPXVFZSA-N 1 0 459.660 3.615 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(C2CCCC2)nnc1N(C)CCc1cccs1 ZINC001314628714 1070724676 /nfs/dbraw/zinc/72/46/76/1070724676.db2.gz KHXPPRHHJHFOOT-OAQYLSRUSA-N 1 0 458.676 3.619 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N(C)Cc2ccccc2Cl)nnc1C(C)(C)C ZINC001314628751 1070724996 /nfs/dbraw/zinc/72/49/96/1070724996.db2.gz KPMQDYIEXSOOLG-FQEVSTJZSA-N 1 0 461.054 3.808 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(CC(C)(C)C)nnc1N1C[C@H]2CCCCCC[C@@H]21 ZINC001314630321 1070730778 /nfs/dbraw/zinc/73/07/78/1070730778.db2.gz XCNGKMPGVXPGKM-FSSWDIPSSA-N 1 0 458.695 3.968 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N(C)[C@H]2CCc3ccccc32)nnc1C(C)(C)C ZINC001314629421 1070727372 /nfs/dbraw/zinc/72/73/72/1070727372.db2.gz PDFNGTDOWWWWSB-VXKWHMMOSA-N 1 0 452.647 3.642 20 0 JHADRO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCCCC1)C1CC1 ZINC001313609893 1070734508 /nfs/dbraw/zinc/73/45/08/1070734508.db2.gz RMJGCIUPDMZCDF-CTNGQTDRSA-N 1 0 476.666 3.697 20 0 JHADRO Cc1nnc([C@@H](C)NS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)s1 ZINC001309385996 1070738834 /nfs/dbraw/zinc/73/88/34/1070738834.db2.gz ZSPGYSHVERWQJE-GQWLDOHISA-N 1 0 460.600 3.634 20 0 JHADRO C[C@H](CCNS(=O)(=O)c1cc(Br)cc(Br)c1)[NH+]1CCCCC1 ZINC001309393451 1070742463 /nfs/dbraw/zinc/74/24/63/1070742463.db2.gz IEZFSDRNDZOWNE-GFCCVEGCSA-N 1 0 454.228 3.754 20 0 JHADRO CN(C)C(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001314638572 1070742420 /nfs/dbraw/zinc/74/24/20/1070742420.db2.gz GKCNJVXIAHEZQL-UHFFFAOYSA-N 1 0 459.038 3.779 20 0 JHADRO CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC[N@@H+]1CCC[C@@H]1CO)C(C)C ZINC001313618353 1070742594 /nfs/dbraw/zinc/74/25/94/1070742594.db2.gz CGDKOGWIDIFBEB-RTWAWAEBSA-N 1 0 478.682 3.822 20 0 JHADRO CN(C)C(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001314640461 1070743966 /nfs/dbraw/zinc/74/39/66/1070743966.db2.gz QAXGLEBWHWUOMM-QFIPXVFZSA-N 1 0 470.637 3.579 20 0 JHADRO C[C@@H]1C[C@H](CCNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CCO1 ZINC001309395463 1070744755 /nfs/dbraw/zinc/74/47/55/1070744755.db2.gz TXRKHQARAKFQLD-KYXKYNKESA-N 1 0 460.615 3.918 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(F)(F)CC1)c1cccs1 ZINC001314647314 1070749437 /nfs/dbraw/zinc/74/94/37/1070749437.db2.gz QPOBJWLOPJSSDA-OAHLLOKOSA-N 1 0 461.542 3.525 20 0 JHADRO Cn1cccc1-c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314647816 1070750830 /nfs/dbraw/zinc/75/08/30/1070750830.db2.gz FRDUVHFCEJBRDM-FQEVSTJZSA-N 1 0 499.601 3.817 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001313627546 1070757850 /nfs/dbraw/zinc/75/78/50/1070757850.db2.gz LMWVUEVDZCJRLX-IBGZPJMESA-N 1 0 467.456 3.875 20 0 JHADRO CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1)C(C)C ZINC001313623505 1070752058 /nfs/dbraw/zinc/75/20/58/1070752058.db2.gz KHHFLAKGSKRTJA-PCCBWWKXSA-N 1 0 478.682 3.784 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1cccc(F)c1 ZINC001314648723 1070753095 /nfs/dbraw/zinc/75/30/95/1070753095.db2.gz ODSVITPSGNYRGS-GGAORHGYSA-N 1 0 493.631 3.913 20 0 JHADRO Cn1cc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cn1 ZINC001314649174 1070754732 /nfs/dbraw/zinc/75/47/32/1070754732.db2.gz LHYRAPVSBWUXTR-FDDCHVKYSA-N 1 0 457.648 3.684 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC001314649459 1070756290 /nfs/dbraw/zinc/75/62/90/1070756290.db2.gz BQJKALFYOQDCNP-UXHICEINSA-N 1 0 476.666 3.744 20 0 JHADRO CCN(CC(C)C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001313628169 1070758804 /nfs/dbraw/zinc/75/88/04/1070758804.db2.gz ZTLPXXNPIZICFH-LJQANCHMSA-N 1 0 459.038 3.828 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1cccs1 ZINC001314650710 1070759415 /nfs/dbraw/zinc/75/94/15/1070759415.db2.gz LLMVBRHZZFOPOP-HSALFYBXSA-N 1 0 488.702 3.525 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)c1cccs1 ZINC001314650809 1070759565 /nfs/dbraw/zinc/75/95/65/1070759565.db2.gz UFAKNWBWJRTMRG-UWJYYQICSA-N 1 0 495.575 3.629 20 0 JHADRO CN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCSC1 ZINC001314652141 1070763061 /nfs/dbraw/zinc/76/30/61/1070763061.db2.gz DNIXOHPAYHULHW-RTBURBONSA-N 1 0 488.658 3.653 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001314652546 1070763433 /nfs/dbraw/zinc/76/34/33/1070763433.db2.gz ZUXFQOCWLSBDTM-FCHUYYIVSA-N 1 0 452.647 3.980 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(-c3ccccc3Cl)nnc2N(CCCCO)C2CC2)CCSC1 ZINC001314653113 1070764636 /nfs/dbraw/zinc/76/46/36/1070764636.db2.gz KMPZWHMGMPRECX-QFIPXVFZSA-N 1 0 450.052 3.777 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC(CCCO)CC1)c1ccsc1 ZINC001314653787 1070767008 /nfs/dbraw/zinc/76/70/08/1070767008.db2.gz FIYDWCPUXMRREO-QFIPXVFZSA-N 1 0 454.644 3.617 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001314653508 1070765974 /nfs/dbraw/zinc/76/59/74/1070765974.db2.gz ZEDPFUGZSDQXRQ-IRLDBZIGSA-N 1 0 484.645 3.578 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(CC(F)(F)F)CC2)CCSC1 ZINC001314653540 1070766028 /nfs/dbraw/zinc/76/60/28/1070766028.db2.gz PTPMDKZPDFNYET-FQEVSTJZSA-N 1 0 489.011 3.720 20 0 JHADRO Cc1cnn(-c2ccc(S(=O)(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cc2F)c1 ZINC001309435469 1070767944 /nfs/dbraw/zinc/76/79/44/1070767944.db2.gz JMDXRUNZJKLEDH-HSZRJFAPSA-N 1 0 456.587 3.899 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001314654366 1070768747 /nfs/dbraw/zinc/76/87/47/1070768747.db2.gz GJVYNBUFVJPPBL-FCHUYYIVSA-N 1 0 494.105 3.656 20 0 JHADRO Cn1cc(Nc2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)cn1 ZINC001314654475 1070769093 /nfs/dbraw/zinc/76/90/93/1070769093.db2.gz SFLOYUUOOHBSJA-DSKINZAPSA-N 1 0 498.607 3.968 20 0 JHADRO C[NH+](C)[C@H](Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001314654544 1070769171 /nfs/dbraw/zinc/76/91/71/1070769171.db2.gz UOHYXFIVMDONLW-HXUWFJFHSA-N 1 0 458.626 3.712 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001314655500 1070772870 /nfs/dbraw/zinc/77/28/70/1070772870.db2.gz LVRIAUSQTYFSQC-QFIPXVFZSA-N 1 0 487.574 3.641 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1cccc(F)c1 ZINC001314655528 1070772976 /nfs/dbraw/zinc/77/29/76/1070772976.db2.gz MGJMJDUMQAFBLV-XZOQPEGZSA-N 1 0 466.605 3.957 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2cc3ccccc3o2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313636709 1070773840 /nfs/dbraw/zinc/77/38/40/1070773840.db2.gz IZZUWUKTNCLQEH-IBGZPJMESA-N 1 0 452.603 3.870 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC2CC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)c1cccc(F)c1 ZINC001314655943 1070773990 /nfs/dbraw/zinc/77/39/90/1070773990.db2.gz UXOXLWVJUSIULY-FQEVSTJZSA-N 1 0 496.553 3.568 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cccc(C)n2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313636900 1070774491 /nfs/dbraw/zinc/77/44/91/1070774491.db2.gz JWHGKNMJWMTRMK-RUZDIDTESA-N 1 0 491.684 3.543 20 0 JHADRO C[NH+](C)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(F)(F)F)CC2)CCCCC1 ZINC001314656176 1070774515 /nfs/dbraw/zinc/77/45/15/1070774515.db2.gz HYQNECPTNCBIEP-KRWDZBQOSA-N 1 0 456.557 3.663 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccsc1 ZINC001314656537 1070774564 /nfs/dbraw/zinc/77/45/64/1070774564.db2.gz PSEMSQKIALHUCC-YADHBBJMSA-N 1 0 495.697 3.759 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccsc1 ZINC001314656528 1070775209 /nfs/dbraw/zinc/77/52/09/1070775209.db2.gz ZNOLXFQTCZANJG-SQJMNOBHSA-N 1 0 466.655 3.520 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CC3CCCC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CCSC1 ZINC001314658010 1070778298 /nfs/dbraw/zinc/77/82/98/1070778298.db2.gz NNIQKEQFZOEXJH-YADHBBJMSA-N 1 0 489.652 3.978 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CC3CCCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CCSC1 ZINC001314658009 1070778318 /nfs/dbraw/zinc/77/83/18/1070778318.db2.gz NNIQKEQFZOEXJH-VXKWHMMOSA-N 1 0 489.652 3.978 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CC3CC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCSC1 ZINC001314658139 1070778358 /nfs/dbraw/zinc/77/83/58/1070778358.db2.gz SOHDBBXFQCMMBI-MRXNPFEDSA-N 1 0 471.515 3.989 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)CCSC1 ZINC001314658172 1070779023 /nfs/dbraw/zinc/77/90/23/1070779023.db2.gz TYFSHYIMARZODA-OAQYLSRUSA-N 1 0 486.469 3.828 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccccn3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CCCC1 ZINC001314658581 1070779386 /nfs/dbraw/zinc/77/93/86/1070779386.db2.gz DMAQAAJGZRZOHZ-JOCHJYFZSA-N 1 0 480.579 3.668 20 0 JHADRO CN(CCCS(C)(=O)=O)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)C[NH+](C)C ZINC001314663328 1070791321 /nfs/dbraw/zinc/79/13/21/1070791321.db2.gz RFUPQVVXNXVPBF-UHFFFAOYSA-N 1 0 481.732 3.734 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001313641074 1070786763 /nfs/dbraw/zinc/78/67/63/1070786763.db2.gz RBSRNCAWFKMRAC-XUZZJYLKSA-N 1 0 465.646 3.669 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(N3CCC(C(=O)NCC(F)(F)F)CC3)nnc2C(C)(C)C)c1 ZINC001314667500 1070801827 /nfs/dbraw/zinc/80/18/27/1070801827.db2.gz MVPJZGMBJXTFSC-UHFFFAOYSA-N 1 0 480.579 3.580 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001314666658 1070799646 /nfs/dbraw/zinc/79/96/46/1070799646.db2.gz UJRUSNLRWWQZFY-HXUWFJFHSA-N 1 0 459.610 3.837 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001314666752 1070800544 /nfs/dbraw/zinc/80/05/44/1070800544.db2.gz ZMYVVBOUAGBJOI-UHFFFAOYSA-N 1 0 476.588 3.541 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001314667534 1070801951 /nfs/dbraw/zinc/80/19/51/1070801951.db2.gz OATUYAAIJOUYRY-FGZHOGPDSA-N 1 0 484.645 3.685 20 0 JHADRO CN(Cc1ccccc1N1CCCC1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)C[NH+](C)C ZINC001314667969 1070803353 /nfs/dbraw/zinc/80/33/53/1070803353.db2.gz MOTQVQGJSIUMSA-QFIPXVFZSA-N 1 0 454.663 3.997 20 0 JHADRO CON(CC1CCOCC1)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001309494190 1070808474 /nfs/dbraw/zinc/80/84/74/1070808474.db2.gz PAWKAFCHIBKHMB-LOSJGSFVSA-N 1 0 458.624 3.583 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(C3CCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001314670440 1070811819 /nfs/dbraw/zinc/81/18/19/1070811819.db2.gz FPJSSLKAMVUUMN-QFIPXVFZSA-N 1 0 498.672 3.832 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCCC(C)(C)C2)cc1 ZINC001314671108 1070813695 /nfs/dbraw/zinc/81/36/95/1070813695.db2.gz KXMXBAQPTDSBTC-JOCHJYFZSA-N 1 0 455.647 3.982 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)cc1 ZINC001314672873 1070818514 /nfs/dbraw/zinc/81/85/14/1070818514.db2.gz XDQHPUGOUKEMRG-OAQYLSRUSA-N 1 0 484.689 3.695 20 0 JHADRO C[NH+](C)CCOCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001314673476 1070819057 /nfs/dbraw/zinc/81/90/57/1070819057.db2.gz PSGKWDHYHDDUIZ-FQEVSTJZSA-N 1 0 450.027 3.676 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CCOc1cccc(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC001314676649 1070822013 /nfs/dbraw/zinc/82/20/13/1070822013.db2.gz KENGEBMAQDDJQW-UHFFFAOYSA-N 1 0 469.609 3.591 20 0 JHADRO CN(c1nnc(C(=O)N2CCCC2)n1CCCOC(F)(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314677922 1070825361 /nfs/dbraw/zinc/82/53/61/1070825361.db2.gz NIJNDVWDVNUGIP-FQEVSTJZSA-N 1 0 494.562 3.541 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001313651317 1070825963 /nfs/dbraw/zinc/82/59/63/1070825963.db2.gz DMPFUZKHLSQKMZ-OXJNMPFZSA-N 1 0 481.016 3.517 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCc2ccccc2F)CC1 ZINC001313652090 1070828968 /nfs/dbraw/zinc/82/89/68/1070828968.db2.gz PEFACMDBVZWULF-FQEVSTJZSA-N 1 0 486.636 3.569 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(OC)C1 ZINC001313652801 1070831433 /nfs/dbraw/zinc/83/14/33/1070831433.db2.gz YYVRALWDNOKETB-CJFMBICVSA-N 1 0 456.635 3.883 20 0 JHADRO CN(c1nnc(-c2ccccn2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314684166 1070840469 /nfs/dbraw/zinc/84/04/69/1070840469.db2.gz DNHLLXIEMKQCTH-XSJBNIOMSA-N 1 0 480.682 3.988 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001313655546 1070845341 /nfs/dbraw/zinc/84/53/41/1070845341.db2.gz ZOWSQWRMEJLPPE-HXUWFJFHSA-N 1 0 471.650 3.551 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@](C)(CC)C1 ZINC001313655838 1070847237 /nfs/dbraw/zinc/84/72/37/1070847237.db2.gz AASFCELAUMCVPK-MGPUTAFESA-N 1 0 453.429 3.771 20 0 JHADRO CN(c1nnc(-c2cnn(C)c2)n1CCSCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314688160 1070847215 /nfs/dbraw/zinc/84/72/15/1070847215.db2.gz NCPPOCLLGMYVFG-IBGZPJMESA-N 1 0 479.576 3.685 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccc(C)o1 ZINC001313657158 1070854844 /nfs/dbraw/zinc/85/48/44/1070854844.db2.gz OHYPRYQKSBXQIW-QGZVFWFLSA-N 1 0 487.674 3.815 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001313656189 1070848556 /nfs/dbraw/zinc/84/85/56/1070848556.db2.gz GOHVLJCTRDRVCS-FGSBKZAUSA-N 1 0 459.610 3.885 20 0 JHADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001309550613 1070848787 /nfs/dbraw/zinc/84/87/87/1070848787.db2.gz SGWOYHOZKWZZOX-UHFFFAOYSA-N 1 0 452.791 3.851 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001313656200 1070848834 /nfs/dbraw/zinc/84/88/34/1070848834.db2.gz GQCTZLUFYQXBBL-PXNSSMCTSA-N 1 0 456.616 3.718 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1C(C)C ZINC001313656289 1070849411 /nfs/dbraw/zinc/84/94/11/1070849411.db2.gz AQRLWPFIPAAXDS-SIKLNZKXSA-N 1 0 476.691 3.551 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC2(C1)CCOCC2 ZINC001313656235 1070849446 /nfs/dbraw/zinc/84/94/46/1070849446.db2.gz HMCDJVQWOXKWKV-KRWDZBQOSA-N 1 0 479.467 3.783 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2nccnc2C)CC1 ZINC001313657518 1070855183 /nfs/dbraw/zinc/85/51/83/1070855183.db2.gz MSRGIPJTCYCJPG-GOSISDBHSA-N 1 0 499.063 3.762 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313656618 1070850935 /nfs/dbraw/zinc/85/09/35/1070850935.db2.gz KREVGRMEQJAHSV-GBESFXJTSA-N 1 0 476.597 3.564 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001313656657 1070851125 /nfs/dbraw/zinc/85/11/25/1070851125.db2.gz DXVUISKLIDVKRA-GHTZIAJQSA-N 1 0 459.038 3.920 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001313656774 1070851591 /nfs/dbraw/zinc/85/15/91/1070851591.db2.gz LKQFTMNCMDMEMS-CBGDNZLLSA-N 1 0 487.580 3.557 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001313656684 1070852038 /nfs/dbraw/zinc/85/20/38/1070852038.db2.gz FPAQULVTBLGTPT-IKGGRYGDSA-N 1 0 456.056 3.587 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001313656799 1070852348 /nfs/dbraw/zinc/85/23/48/1070852348.db2.gz LQNLXJMJVSCEPA-FUHWJXTLSA-N 1 0 497.660 3.758 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H](C)C(=O)NC ZINC001313656884 1070853269 /nfs/dbraw/zinc/85/32/69/1070853269.db2.gz HFFLKRRIVRFYIF-LSDHHAIUSA-N 1 0 499.885 3.910 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC001313659644 1070863465 /nfs/dbraw/zinc/86/34/65/1070863465.db2.gz ITNRMSQHAFGDNX-WMZOPIPTSA-N 1 0 473.025 3.874 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001313659675 1070863560 /nfs/dbraw/zinc/86/35/60/1070863560.db2.gz KRCKJLNSCNQQBN-HXUWFJFHSA-N 1 0 476.629 3.629 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001313657651 1070856647 /nfs/dbraw/zinc/85/66/47/1070856647.db2.gz NDKIDWABYIKLND-UNMCSNQZSA-N 1 0 490.718 3.798 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(NC(C)=O)CC1 ZINC001313657754 1070857064 /nfs/dbraw/zinc/85/70/64/1070857064.db2.gz UJJICWYXCREXIV-IBGZPJMESA-N 1 0 463.630 3.637 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H]1CCOC1 ZINC001313657888 1070857765 /nfs/dbraw/zinc/85/77/65/1070857765.db2.gz PEZDIEXSFOCVJJ-SJLPKXTDSA-N 1 0 450.425 3.971 20 0 JHADRO Cc1ccc(F)c(S(=O)(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC001309560363 1070858058 /nfs/dbraw/zinc/85/80/58/1070858058.db2.gz FDJGVVFHOQUYSX-UHFFFAOYSA-N 1 0 451.995 3.763 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001313658101 1070858968 /nfs/dbraw/zinc/85/89/68/1070858968.db2.gz XIVOCLRSEJKSOI-FXAWDEMLSA-N 1 0 487.450 3.871 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001313658494 1070859503 /nfs/dbraw/zinc/85/95/03/1070859503.db2.gz ZMBMUFBJGHHTGA-SFHVURJKSA-N 1 0 471.005 3.884 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001313658567 1070859826 /nfs/dbraw/zinc/85/98/26/1070859826.db2.gz BALSYFOFBAZJMT-HXUWFJFHSA-N 1 0 481.620 3.935 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001313659112 1070862565 /nfs/dbraw/zinc/86/25/65/1070862565.db2.gz ILWTUYJWBDEZOO-NRFANRHFSA-N 1 0 477.657 3.755 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001313663188 1070871621 /nfs/dbraw/zinc/87/16/21/1070871621.db2.gz HEPAEGMCKMMXBC-GMAHTHKFSA-N 1 0 474.694 3.869 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001313660423 1070865879 /nfs/dbraw/zinc/86/58/79/1070865879.db2.gz PYHQCBLOMFUPPG-OAHLLOKOSA-N 1 0 481.519 3.752 20 0 JHADRO CN(c1nnc(COc2ccc(Br)cc2)n1C[C@@]1([NH+](C)C)CCSC1)C1CC1 ZINC001314701821 1070868845 /nfs/dbraw/zinc/86/88/45/1070868845.db2.gz RJXLJEVIDXBYLY-FQEVSTJZSA-N 1 0 466.449 3.656 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001313661726 1070868715 /nfs/dbraw/zinc/86/87/15/1070868715.db2.gz YPLYZHJXVYLMTR-OSPHWJPCSA-N 1 0 472.996 3.961 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001313661941 1070869456 /nfs/dbraw/zinc/86/94/56/1070869456.db2.gz LBOIBQFUJIPQHX-IIBYNOLFSA-N 1 0 476.000 3.779 20 0 JHADRO CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCC(O)CC1)C1CCCCC1 ZINC001314703095 1070870635 /nfs/dbraw/zinc/87/06/35/1070870635.db2.gz CGRAGFOJGFIYOQ-QFIPXVFZSA-N 1 0 490.693 3.966 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCCc2c1cnn2C)c1ccccc1 ZINC001313663798 1070874550 /nfs/dbraw/zinc/87/45/50/1070874550.db2.gz IACZHYYUWIJIFI-ISKFKSNPSA-N 1 0 492.672 3.747 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1)c1ccccc1 ZINC001313665776 1070880695 /nfs/dbraw/zinc/88/06/95/1070880695.db2.gz UJMGCEVEQCZJMO-UPVQGACJSA-N 1 0 454.663 3.643 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001313664349 1070876825 /nfs/dbraw/zinc/87/68/25/1070876825.db2.gz AZPYQSTUYDOUHQ-HFZDXXHNSA-N 1 0 471.646 3.670 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1)c1ccccc1 ZINC001313665107 1070878799 /nfs/dbraw/zinc/87/87/99/1070878799.db2.gz OLVYRJRURBAYOC-FPOVZHCZSA-N 1 0 476.691 3.598 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001313665003 1070878869 /nfs/dbraw/zinc/87/88/69/1070878869.db2.gz PFRDYRRPKFECEG-UYAOXDASSA-N 1 0 462.042 3.625 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1)c1ccco1 ZINC001313665362 1070879994 /nfs/dbraw/zinc/87/99/94/1070879994.db2.gz RHCFLZAVBUUNIQ-HXUWFJFHSA-N 1 0 460.623 3.992 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2OC)CC1 ZINC001313665844 1070881968 /nfs/dbraw/zinc/88/19/68/1070881968.db2.gz SDSCTXIEVCFBOA-ZJSXRUAMSA-N 1 0 470.662 3.581 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001313665859 1070882041 /nfs/dbraw/zinc/88/20/41/1070882041.db2.gz SHJSYKVVGZUMOY-IBGZPJMESA-N 1 0 456.610 3.654 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCCC2)C1)c1ccsc1 ZINC001313666236 1070883419 /nfs/dbraw/zinc/88/34/19/1070883419.db2.gz VBTAVSCIPRKFNV-FQEVSTJZSA-N 1 0 474.675 3.710 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314709894 1070886291 /nfs/dbraw/zinc/88/62/91/1070886291.db2.gz IXNYLTIAGIOFMQ-LJQANCHMSA-N 1 0 472.634 3.723 20 0 JHADRO CN(CC(C)(C)C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314710247 1070888300 /nfs/dbraw/zinc/88/83/00/1070888300.db2.gz QXVVZWZIUQFCJK-HXUWFJFHSA-N 1 0 469.497 3.966 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001313667284 1070888889 /nfs/dbraw/zinc/88/88/89/1070888889.db2.gz KNKVQVJNQINKST-YKSBVNFPSA-N 1 0 464.662 3.843 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001313667369 1070889112 /nfs/dbraw/zinc/88/91/12/1070889112.db2.gz WZCZRMYETPNCGZ-XUZZJYLKSA-N 1 0 482.673 3.957 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001313668041 1070890748 /nfs/dbraw/zinc/89/07/48/1070890748.db2.gz NWHFVYMPVPDMFX-ATIYNZHBSA-N 1 0 465.646 3.622 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313667908 1070890839 /nfs/dbraw/zinc/89/08/39/1070890839.db2.gz MGYWIOYUURFORW-CPJSRVTESA-N 1 0 465.683 3.833 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313667906 1070890961 /nfs/dbraw/zinc/89/09/61/1070890961.db2.gz MGYWIOYUURFORW-CJFMBICVSA-N 1 0 465.683 3.833 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313667944 1070891059 /nfs/dbraw/zinc/89/10/59/1070891059.db2.gz MQVWRYJHNLRVTH-UXHICEINSA-N 1 0 474.675 3.886 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001314711181 1070891492 /nfs/dbraw/zinc/89/14/92/1070891492.db2.gz XQLHCKQPOVZCLW-RPWUZVMVSA-N 1 0 496.700 3.825 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313668639 1070892706 /nfs/dbraw/zinc/89/27/06/1070892706.db2.gz RAJZMJZNWRROQE-IFMALSPDSA-N 1 0 470.662 3.897 20 0 JHADRO O=S(=O)(NCCC1(CO)CCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309639009 1070896324 /nfs/dbraw/zinc/89/63/24/1070896324.db2.gz LCDSZGYKICUDHE-XZOQPEGZSA-N 1 0 463.043 3.780 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@](C)(C(=O)NC)C1)c1ccccc1 ZINC001313670793 1070898033 /nfs/dbraw/zinc/89/80/33/1070898033.db2.gz BUDMMHRBCNGIKM-WNCULLNHSA-N 1 0 475.641 3.694 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCSC(C)(C)C1)c1ccccc1 ZINC001313670824 1070898346 /nfs/dbraw/zinc/89/83/46/1070898346.db2.gz CIRHRQGTDRWMEI-UXHICEINSA-N 1 0 456.660 3.644 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](Oc2ccccc2)C1 ZINC001313668014 1070890463 /nfs/dbraw/zinc/89/04/63/1070890463.db2.gz NNIGLSDZAXYVQA-ISKFKSNPSA-N 1 0 465.646 3.918 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)NC)C1)c1ccco1 ZINC001313671975 1070901783 /nfs/dbraw/zinc/90/17/83/1070901783.db2.gz DYWNIZVNTBBAPU-IFMALSPDSA-N 1 0 464.614 3.892 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001313672319 1070903487 /nfs/dbraw/zinc/90/34/87/1070903487.db2.gz VLHDHJKTEQUFMX-LPHOPBHVSA-N 1 0 475.688 3.707 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313672759 1070905030 /nfs/dbraw/zinc/90/50/30/1070905030.db2.gz AWBFCDOHHUKANF-CPJSRVTESA-N 1 0 458.651 3.553 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C)C1)c1ccco1 ZINC001313673118 1070905561 /nfs/dbraw/zinc/90/55/61/1070905561.db2.gz BZKIPOVYALAICA-ROUUACIJSA-N 1 0 488.683 3.887 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314716657 1070906940 /nfs/dbraw/zinc/90/69/40/1070906940.db2.gz DHHSGRXCAUEXCX-GOSISDBHSA-N 1 0 477.535 3.571 20 0 JHADRO CN(CC(F)(F)F)c1nnc(Cc2ccncc2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001314718456 1070910349 /nfs/dbraw/zinc/91/03/49/1070910349.db2.gz UFZYIUYMYHRWJX-NRFANRHFSA-N 1 0 474.531 3.554 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1)c1ccccc1 ZINC001313673941 1070909260 /nfs/dbraw/zinc/90/92/60/1070909260.db2.gz SWRFBUPYBWHACG-FCHUYYIVSA-N 1 0 451.619 3.623 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(C)=O)C1)c1ccco1 ZINC001313671614 1070900040 /nfs/dbraw/zinc/90/00/40/1070900040.db2.gz ATLWGIIBMZQZMC-UXHICEINSA-N 1 0 454.575 3.628 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(C(C)=O)CC1)c1ccco1 ZINC001313674130 1070910622 /nfs/dbraw/zinc/91/06/22/1070910622.db2.gz NCJBBTQCANQWHP-HSZRJFAPSA-N 1 0 480.613 3.688 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CCCN(C(C)=O)CC1)c1ccco1 ZINC001313674460 1070911691 /nfs/dbraw/zinc/91/16/91/1070911691.db2.gz JVYKDDHXNBLKAT-JOCHJYFZSA-N 1 0 456.635 3.746 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccco1 ZINC001313674488 1070911994 /nfs/dbraw/zinc/91/19/94/1070911994.db2.gz KEONDLBBZKCMOJ-IRLDBZIGSA-N 1 0 480.613 3.509 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccsc1 ZINC001313675455 1070916799 /nfs/dbraw/zinc/91/67/99/1070916799.db2.gz UJQXYELTOGSUDJ-LPHOPBHVSA-N 1 0 488.061 3.805 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccco1 ZINC001313675552 1070917223 /nfs/dbraw/zinc/91/72/23/1070917223.db2.gz POEYGJIHFXVRFL-RBBKRZOGSA-N 1 0 472.634 3.547 20 0 JHADRO CCN(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C(C)C)c1ccsc1 ZINC001313676508 1070921479 /nfs/dbraw/zinc/92/14/79/1070921479.db2.gz FIXINJMRKJQQGR-RTBURBONSA-N 1 0 453.678 3.560 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC001313676555 1070922037 /nfs/dbraw/zinc/92/20/37/1070922037.db2.gz XCUXZFDLCPTRRY-CEXWTWQISA-N 1 0 486.642 3.559 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@](C)(OC)C1)c1ccco1 ZINC001313678914 1070933112 /nfs/dbraw/zinc/93/31/12/1070933112.db2.gz PGFWMLISZCANAF-SQJMNOBHSA-N 1 0 452.603 3.945 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccsc1 ZINC001313681350 1070940576 /nfs/dbraw/zinc/94/05/76/1070940576.db2.gz VQCFTFSJWMBNSR-COPCDDAFSA-N 1 0 454.644 3.616 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc([C@H]2CCCOC2)n1CCCC[NH+]1CCOCC1 ZINC001314727298 1070937401 /nfs/dbraw/zinc/93/74/01/1070937401.db2.gz NTRWMIDTZYXWLW-FQEVSTJZSA-N 1 0 492.462 3.683 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc(-c2ccccn2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314729975 1070946014 /nfs/dbraw/zinc/94/60/14/1070946014.db2.gz NHZYQKLIZOENII-KRWDZBQOSA-N 1 0 461.035 3.928 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc([C@H]2CCCCO2)n1CC[NH+]1CCSCC1 ZINC001314728216 1070940806 /nfs/dbraw/zinc/94/08/06/1070940806.db2.gz XCADIORLTHZUTM-LJQANCHMSA-N 1 0 480.476 3.967 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@H]2CCCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314730291 1070947376 /nfs/dbraw/zinc/94/73/76/1070947376.db2.gz URYUQFTYZSMATK-QGZVFWFLSA-N 1 0 497.507 3.616 20 0 JHADRO CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001313687725 1070947439 /nfs/dbraw/zinc/94/74/39/1070947439.db2.gz XAGQJLKNWCMYEO-LJQANCHMSA-N 1 0 451.619 3.814 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001313691475 1070951322 /nfs/dbraw/zinc/95/13/22/1070951322.db2.gz NEEZPSBKJWDUIJ-OREGWCPLSA-N 1 0 485.673 3.885 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001313693581 1070954684 /nfs/dbraw/zinc/95/46/84/1070954684.db2.gz CFDXZDRDVGWHES-HXUWFJFHSA-N 1 0 464.655 3.697 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC001313693712 1070955315 /nfs/dbraw/zinc/95/53/15/1070955315.db2.gz FIFVJVJDUPRLGR-MGBGTMOVSA-N 1 0 468.671 3.521 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2CCOCC2)CC1 ZINC001313694365 1070956470 /nfs/dbraw/zinc/95/64/70/1070956470.db2.gz IVFODHWBSYUNIG-UHFFFAOYSA-N 1 0 457.619 3.700 20 0 JHADRO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CC=CCC1 ZINC001314735708 1070960481 /nfs/dbraw/zinc/96/04/81/1070960481.db2.gz WGKVCDAYYIWFAH-KRWDZBQOSA-N 1 0 453.484 3.838 20 0 JHADRO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CC=CCC1 ZINC001314735709 1070960622 /nfs/dbraw/zinc/96/06/22/1070960622.db2.gz WGKVCDAYYIWFAH-QGZVFWFLSA-N 1 0 453.484 3.838 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C3CCCC3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001313696080 1070962023 /nfs/dbraw/zinc/96/20/23/1070962023.db2.gz SZYPGTVXAPRCTR-UHFFFAOYSA-N 1 0 452.647 3.953 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C1CC1)[NH+](C)C ZINC001314736501 1070963306 /nfs/dbraw/zinc/96/33/06/1070963306.db2.gz DGTKHWDQPGFTRG-HFDLIBRUSA-N 1 0 487.714 3.911 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnccn3)n2CCCCc2nc(C)cs2)CC1 ZINC001313696620 1070963883 /nfs/dbraw/zinc/96/38/83/1070963883.db2.gz USZVHEDBFDWSKH-UHFFFAOYSA-N 1 0 454.648 3.834 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnn(C)c2C)CC1 ZINC001313696988 1070965203 /nfs/dbraw/zinc/96/52/03/1070965203.db2.gz ZBCYYOAWELBNBD-UHFFFAOYSA-N 1 0 457.573 3.548 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCNC(=O)c2occc2C)CC1 ZINC001313697191 1070965822 /nfs/dbraw/zinc/96/58/22/1070965822.db2.gz LWOPLUSBANLFBK-UHFFFAOYSA-N 1 0 468.602 3.879 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCSC)CC1 ZINC001313697405 1070966395 /nfs/dbraw/zinc/96/63/95/1070966395.db2.gz ZNODKJUMFLMMOR-UHFFFAOYSA-N 1 0 483.686 3.646 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)C(C)(C)C)CC1 ZINC001313697369 1070966443 /nfs/dbraw/zinc/96/64/43/1070966443.db2.gz NKMJRRNERBMVCU-NHCUHLMSSA-N 1 0 476.710 3.670 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCCCC2)CC1 ZINC001313697713 1070967679 /nfs/dbraw/zinc/96/76/79/1070967679.db2.gz PCIFTRCJDMZZCP-UHFFFAOYSA-N 1 0 474.053 3.707 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001313697842 1070968297 /nfs/dbraw/zinc/96/82/97/1070968297.db2.gz XFSIPARWDDCCAL-GOSISDBHSA-N 1 0 452.594 3.537 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(F)c2)CC1 ZINC001313697765 1070968388 /nfs/dbraw/zinc/96/83/88/1070968388.db2.gz UCQIPXXTASTEOK-UHFFFAOYSA-N 1 0 484.645 3.962 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313697973 1070968933 /nfs/dbraw/zinc/96/89/33/1070968933.db2.gz YKXUEKBHGDRAJQ-ACDBMABISA-N 1 0 488.702 3.784 20 0 JHADRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC001309790681 1070969393 /nfs/dbraw/zinc/96/93/93/1070969393.db2.gz PMAMGQQWQUQBTI-NDEPHWFRSA-N 1 0 455.568 3.578 20 0 JHADRO Cc1nn(-c2ccccc2)c2ncc(S(=O)(=O)N(CC(C)C)CC3CC[NH+](C)CC3)cc12 ZINC001309791468 1070969604 /nfs/dbraw/zinc/96/96/04/1070969604.db2.gz VTDRHHPWJDTUJV-UHFFFAOYSA-N 1 0 455.628 3.717 20 0 JHADRO COc1ccccc1-n1cc(S(=O)(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC001309795267 1070971490 /nfs/dbraw/zinc/97/14/90/1070971490.db2.gz SOQFEIGBFAJTIW-OAQYLSRUSA-N 1 0 454.596 3.556 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2=CCCCC2)CC1 ZINC001313698887 1070971736 /nfs/dbraw/zinc/97/17/36/1070971736.db2.gz OUDUBTDYUMHGIF-UHFFFAOYSA-N 1 0 494.684 3.965 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001313699036 1070972369 /nfs/dbraw/zinc/97/23/69/1070972369.db2.gz QYXXMDMDXVBJGI-LADGPHEKSA-N 1 0 496.700 3.901 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC3CCCC3)nnc2N2CCN(C(C)=O)CC2)cc1 ZINC001313699669 1070974711 /nfs/dbraw/zinc/97/47/11/1070974711.db2.gz GMSQKVFENLXJBK-UHFFFAOYSA-N 1 0 452.647 3.569 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 ZINC001313699634 1070974774 /nfs/dbraw/zinc/97/47/74/1070974774.db2.gz FCZGDBARYMUDIJ-MVOZIGHISA-N 1 0 496.700 3.789 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](OC)[C@@H](OC)C2)cc1 ZINC001313699739 1070975349 /nfs/dbraw/zinc/97/53/49/1070975349.db2.gz IRVDYCARARQQNE-ZKGSSEMHSA-N 1 0 499.700 3.937 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)c2nccs2)CC1 ZINC001313700337 1070976101 /nfs/dbraw/zinc/97/61/01/1070976101.db2.gz VQKHORIVKNTYEG-HXUWFJFHSA-N 1 0 481.670 3.504 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(N3CCO[C@@H](c4cnn(C)c4)C3)nnc2C(C)(C)C)cc1 ZINC001313700616 1070977501 /nfs/dbraw/zinc/97/75/01/1070977501.db2.gz VGFWCORZERCYDR-HSZRJFAPSA-N 1 0 465.646 3.777 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCCCC2)C1 ZINC001313703488 1070986749 /nfs/dbraw/zinc/98/67/49/1070986749.db2.gz XJGBKOFNFLGZSI-HXUWFJFHSA-N 1 0 471.646 3.826 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CC[C@@H](NC(=O)NC4CC4)C3)nnc2C(C)(C)C)c1 ZINC001313702004 1070982039 /nfs/dbraw/zinc/98/20/39/1070982039.db2.gz FILVOEWVRNGORC-JOCHJYFZSA-N 1 0 467.662 3.506 20 0 JHADRO CN(Cc1cccc(F)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314744787 1070986950 /nfs/dbraw/zinc/98/69/50/1070986950.db2.gz NUZJVTZAUSTEFN-HXUWFJFHSA-N 1 0 465.577 3.821 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CC2(CC)CCCC2)CC1 ZINC001313702681 1070985577 /nfs/dbraw/zinc/98/55/77/1070985577.db2.gz DUVRLDPMDDNSOR-UHFFFAOYSA-N 1 0 467.662 3.609 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313703186 1070986124 /nfs/dbraw/zinc/98/61/24/1070986124.db2.gz BKGPTDVWSNERHZ-SANMLTNESA-N 1 0 480.682 3.783 20 0 JHADRO CN(Cc1ccccc1Br)c1nnc(-c2ccc[nH]2)n1CC[NH+]1CCSCC1 ZINC001314745934 1070989769 /nfs/dbraw/zinc/98/97/69/1070989769.db2.gz ANRDATVMBSHQNK-UHFFFAOYSA-N 1 0 461.433 3.721 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2CCC(CCC(N)=O)CC2)nnc1C(C)(C)C ZINC001313704556 1070991113 /nfs/dbraw/zinc/99/11/13/1070991113.db2.gz JOVQKNGRCGEZQQ-UHFFFAOYSA-N 1 0 454.663 3.948 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC001313704915 1070992476 /nfs/dbraw/zinc/99/24/76/1070992476.db2.gz NHBFPQGSVFQROS-XMMPIXPASA-N 1 0 496.700 3.584 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2oc3ccccc3c2OC)CC1 ZINC001313705606 1070994230 /nfs/dbraw/zinc/99/42/30/1070994230.db2.gz VBZPWUYDLWJCFS-UHFFFAOYSA-N 1 0 496.656 3.660 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2C[C@H](N3CCOCC3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001313705807 1070994478 /nfs/dbraw/zinc/99/44/78/1070994478.db2.gz VFSLXJQUJUZQKT-URXFXBBRSA-N 1 0 468.690 3.623 20 0 JHADRO CN(Cc1ccccc1C(F)(F)F)c1nnc(Cc2ccccn2)n1CCC[NH+]1CCC(O)CC1 ZINC001314748749 1070998297 /nfs/dbraw/zinc/99/82/97/1070998297.db2.gz MWMIFVFLGSCHRP-UHFFFAOYSA-N 1 0 488.558 3.766 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001313706618 1070996824 /nfs/dbraw/zinc/99/68/24/1070996824.db2.gz DKVPMDHOTDPMNY-PMACEKPBSA-N 1 0 473.666 3.613 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C3CC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001313709370 1071001945 /nfs/dbraw/zinc/00/19/45/1071001945.db2.gz CZWMUCMTIJIHAX-HTAPYJJXSA-N 1 0 451.537 3.774 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2=CCCOC2)C1 ZINC001313709491 1071002408 /nfs/dbraw/zinc/00/24/08/1071002408.db2.gz MNYZCEZQMMLQAS-FCEUIQTBSA-N 1 0 488.677 3.564 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC=CCO2)C1 ZINC001313709642 1071002803 /nfs/dbraw/zinc/00/28/03/1071002803.db2.gz OVIVMVIKCSOHQT-BDTNDASRSA-N 1 0 488.677 3.863 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(COC(C)(C)C)on2)C1 ZINC001313709684 1071003069 /nfs/dbraw/zinc/00/30/69/1071003069.db2.gz PEGLFTUFQGGGDP-WIYYLYMNSA-N 1 0 460.623 3.649 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc(C)on1 ZINC001313710533 1071004519 /nfs/dbraw/zinc/00/45/19/1071004519.db2.gz GQJLHRJOTAUBGC-UHFFFAOYSA-N 1 0 450.385 3.700 20 0 JHADRO CN(Cc1ccccc1Cl)c1nnc(Cc2ccncc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314752099 1071005005 /nfs/dbraw/zinc/00/50/05/1071005005.db2.gz JYQUICHIFIZNMJ-UHFFFAOYSA-N 1 0 468.049 3.580 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001313711846 1071007364 /nfs/dbraw/zinc/00/73/64/1071007364.db2.gz IXAHCPPSVSARGT-JKSUJKDBSA-N 1 0 495.491 3.558 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001313712130 1071007890 /nfs/dbraw/zinc/00/78/90/1071007890.db2.gz SIYKOMUUWFRDRP-QGZVFWFLSA-N 1 0 489.466 3.505 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C)C1 ZINC001313712256 1071008335 /nfs/dbraw/zinc/00/83/35/1071008335.db2.gz METVXTLVGLPKQK-MRXNPFEDSA-N 1 0 466.424 3.673 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001313712640 1071008908 /nfs/dbraw/zinc/00/89/08/1071008908.db2.gz QXVPREUAQNWFQY-MSOLQXFVSA-N 1 0 458.676 3.530 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCSC2(C)C)C1 ZINC001313710406 1071004203 /nfs/dbraw/zinc/00/42/03/1071004203.db2.gz ZSKYJYGTPASBNG-MHTWAQMVSA-N 1 0 465.708 3.702 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2(C)CCOCC2)C1 ZINC001313713569 1071010590 /nfs/dbraw/zinc/01/05/90/1071010590.db2.gz QYZBFYWCUCJAEB-OAQYLSRUSA-N 1 0 455.647 3.862 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO2)C1 ZINC001313714145 1071011544 /nfs/dbraw/zinc/01/15/44/1071011544.db2.gz XCSKTPHGEZPRCY-YPAWHYETSA-N 1 0 490.693 3.740 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001313714241 1071011641 /nfs/dbraw/zinc/01/16/41/1071011641.db2.gz IYGDREASBFPWQJ-SFHVURJKSA-N 1 0 477.451 3.544 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001313714715 1071012598 /nfs/dbraw/zinc/01/25/98/1071012598.db2.gz OPTVXIKFZREKFD-UHFFFAOYSA-N 1 0 477.657 3.757 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@H]1CC=CCC1 ZINC001313715627 1071014683 /nfs/dbraw/zinc/01/46/83/1071014683.db2.gz KROMUTXYNSAQON-FQEVSTJZSA-N 1 0 463.630 3.716 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2cccnc2)C1 ZINC001313714545 1071012753 /nfs/dbraw/zinc/01/27/53/1071012753.db2.gz ZBIWQOFFBPGGLE-HXUWFJFHSA-N 1 0 454.569 3.953 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001313716755 1071016593 /nfs/dbraw/zinc/01/65/93/1071016593.db2.gz AAPROLHIXVIFBW-AVRDEDQJSA-N 1 0 463.573 3.760 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cccnc2)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001313717245 1071016836 /nfs/dbraw/zinc/01/68/36/1071016836.db2.gz CNYWDBWBQXLDOA-UHFFFAOYSA-N 1 0 455.006 3.915 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)CC1 ZINC001313717432 1071016911 /nfs/dbraw/zinc/01/69/11/1071016911.db2.gz PQCAZKKEIBAUSO-SFHVURJKSA-N 1 0 486.608 3.554 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001313717274 1071016945 /nfs/dbraw/zinc/01/69/45/1071016945.db2.gz YTLBKDLGQJTCTA-UHFFFAOYSA-N 1 0 465.577 3.705 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001313717194 1071017083 /nfs/dbraw/zinc/01/70/83/1071017083.db2.gz BCGABXKLEWVJHR-IRXDYDNUSA-N 1 0 453.990 3.710 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@H]2CCCCO2)nnc1N1CCOC2(C1)CCCCCC2 ZINC001313717645 1071017554 /nfs/dbraw/zinc/01/75/54/1071017554.db2.gz HSDSNIFJRNYTOJ-JOCHJYFZSA-N 1 0 463.667 3.808 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccccc2F)nnc1N1CCCN(c2nccs2)CC1 ZINC001313717721 1071017796 /nfs/dbraw/zinc/01/77/96/1071017796.db2.gz QOJGYPUJGBDYGG-UHFFFAOYSA-N 1 0 471.650 3.913 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cccnc2)nnc1N1CCc2c(Cl)cccc2C1 ZINC001313718646 1071019095 /nfs/dbraw/zinc/01/90/95/1071019095.db2.gz UKFHCLZXZXRLJQ-UHFFFAOYSA-N 1 0 455.006 3.915 20 0 JHADRO CC[NH+](CC)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001313719050 1071019699 /nfs/dbraw/zinc/01/96/99/1071019699.db2.gz NFYVLKAMDPGYHY-HXUWFJFHSA-N 1 0 494.610 3.963 20 0 JHADRO CC[NH+](CC)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001313719049 1071019738 /nfs/dbraw/zinc/01/97/38/1071019738.db2.gz NFYVLKAMDPGYHY-FQEVSTJZSA-N 1 0 494.610 3.963 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCSC2(CCCCC2)C1 ZINC001313720025 1071021050 /nfs/dbraw/zinc/02/10/50/1071021050.db2.gz FJMAXUYIHGDAFC-SFTDATJTSA-N 1 0 465.708 3.990 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)C1 ZINC001313720568 1071021513 /nfs/dbraw/zinc/02/15/13/1071021513.db2.gz NSKWMMXJFYUNPH-KRWDZBQOSA-N 1 0 456.582 3.927 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001313722061 1071025751 /nfs/dbraw/zinc/02/57/51/1071025751.db2.gz PXCUKOOPFHYJCH-OAQYLSRUSA-N 1 0 452.647 3.904 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCc1cnccn1 ZINC001313721707 1071025242 /nfs/dbraw/zinc/02/52/42/1071025242.db2.gz PKDMBQAPJXTGKI-OAHLLOKOSA-N 1 0 478.464 3.968 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001313725032 1071031468 /nfs/dbraw/zinc/03/14/68/1071031468.db2.gz XVURDSIVHZZTGI-VGOFRKELSA-N 1 0 468.568 3.524 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)CC1CCOCC1 ZINC001313723112 1071028245 /nfs/dbraw/zinc/02/82/45/1071028245.db2.gz GUEPWEAEBDAKCD-HXUWFJFHSA-N 1 0 495.672 3.829 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1N1CCOCC1 ZINC001313725544 1071032976 /nfs/dbraw/zinc/03/29/76/1071032976.db2.gz LLHJPBJGFRRWIU-QPPBQGQZSA-N 1 0 470.662 3.723 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001313725499 1071033119 /nfs/dbraw/zinc/03/31/19/1071033119.db2.gz KOJSETUUGVITBH-LMNJBCLMSA-N 1 0 492.462 3.853 20 0 JHADRO C[C@H](CNC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1)C[NH+]1CCCCC1 ZINC001309971779 1071033214 /nfs/dbraw/zinc/03/32/14/1071033214.db2.gz JHCPPBVZFBZZCG-LJQANCHMSA-N 1 0 450.649 3.883 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccccc2OC)nnc1N1CCOCC2(CC2)C1 ZINC001313727454 1071037165 /nfs/dbraw/zinc/03/71/65/1071037165.db2.gz SNECRSPBWVRHJB-LJQANCHMSA-N 1 0 459.660 3.926 20 0 JHADRO CN(Cc1cscn1)c1nnc(-c2cccc(OC(F)F)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001314772226 1071038764 /nfs/dbraw/zinc/03/87/64/1071038764.db2.gz ZDHGBDMKPBSBAB-UHFFFAOYSA-N 1 0 478.569 3.750 20 0 JHADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC001309993372 1071042743 /nfs/dbraw/zinc/04/27/43/1071042743.db2.gz BVDICUPBZACRCR-SFHVURJKSA-N 1 0 455.024 3.653 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001313728331 1071039814 /nfs/dbraw/zinc/03/98/14/1071039814.db2.gz QZRRJPNVSPOSLI-UYAOXDASSA-N 1 0 459.639 3.825 20 0 JHADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC001309991673 1071041675 /nfs/dbraw/zinc/04/16/75/1071041675.db2.gz XKISDFCXZKDMSB-WMZHIEFXSA-N 1 0 456.612 3.850 20 0 JHADRO O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001309993116 1071042858 /nfs/dbraw/zinc/04/28/58/1071042858.db2.gz DHOCJTJWERJQQQ-QFIPXVFZSA-N 1 0 456.612 3.793 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001313731669 1071048026 /nfs/dbraw/zinc/04/80/26/1071048026.db2.gz PCWPSHVOHQYEQB-RDJZCZTQSA-N 1 0 451.040 3.703 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+](CC)C(C)C ZINC001313731711 1071048058 /nfs/dbraw/zinc/04/80/58/1071048058.db2.gz QDWIOLJOWKJFIC-MRXNPFEDSA-N 1 0 474.096 3.652 20 0 JHADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001309996481 1071046093 /nfs/dbraw/zinc/04/60/93/1071046093.db2.gz BKNBIJKMKRWEAT-KNQAVFIVSA-N 1 0 450.649 3.835 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001313731668 1071048197 /nfs/dbraw/zinc/04/81/97/1071048197.db2.gz PCWPSHVOHQYEQB-NVXWUHKLSA-N 1 0 451.040 3.703 20 0 JHADRO CN(Cc1nccs1)c1nnc(CC(C)(C)C)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001314777814 1071051430 /nfs/dbraw/zinc/05/14/30/1071051430.db2.gz FEXJZSVBYDUWRM-FQEVSTJZSA-N 1 0 454.644 3.575 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314782760 1071058449 /nfs/dbraw/zinc/05/84/49/1071058449.db2.gz NRELJQNHACOEMB-IBGZPJMESA-N 1 0 456.994 3.912 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(CC(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314779862 1071054162 /nfs/dbraw/zinc/05/41/62/1071054162.db2.gz MVANFOCUXDCYRX-OAHLLOKOSA-N 1 0 466.606 3.724 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001313734238 1071054269 /nfs/dbraw/zinc/05/42/69/1071054269.db2.gz NWQDSOMWTVWHHQ-DENIHFKCSA-N 1 0 456.610 3.907 20 0 JHADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001313738493 1071062890 /nfs/dbraw/zinc/06/28/90/1071062890.db2.gz UKBIPUTVJODJKD-JTPXSGRQSA-N 1 0 498.672 3.783 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313740437 1071065496 /nfs/dbraw/zinc/06/54/96/1071065496.db2.gz BHRWGAMADHBGRY-IMSXRSKXSA-N 1 0 487.714 3.883 20 0 JHADRO CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC001310022313 1071066469 /nfs/dbraw/zinc/06/64/69/1071066469.db2.gz BQGZRCQXXWWBOD-RBUKOAKNSA-N 1 0 450.649 3.882 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001313741034 1071066630 /nfs/dbraw/zinc/06/66/30/1071066630.db2.gz DUJIPDQZDFZSGV-HXUWFJFHSA-N 1 0 487.446 3.909 20 0 JHADRO CN(CC1CCC1)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314791708 1071069464 /nfs/dbraw/zinc/06/94/64/1071069464.db2.gz MVHBVCXIDNFJGQ-INIZCTEOSA-N 1 0 468.465 3.852 20 0 JHADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001310022481 1071067294 /nfs/dbraw/zinc/06/72/94/1071067294.db2.gz FBJOIBOXRLMGOO-UXHICEINSA-N 1 0 459.635 3.761 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313741746 1071067859 /nfs/dbraw/zinc/06/78/59/1071067859.db2.gz SQVMZMHBAAODEN-MUUNZHRXSA-N 1 0 498.716 3.680 20 0 JHADRO CN(CC1CCC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314790477 1071068431 /nfs/dbraw/zinc/06/84/31/1071068431.db2.gz GTNYHWCLILXMQC-RTWAWAEBSA-N 1 0 490.693 3.943 20 0 JHADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC001310029641 1071072206 /nfs/dbraw/zinc/07/22/06/1071072206.db2.gz WPABDZKBWGDDRG-QFIPXVFZSA-N 1 0 450.583 3.674 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001313745730 1071074229 /nfs/dbraw/zinc/07/42/29/1071074229.db2.gz JYUSUQAGNNXMPB-FGZHOGPDSA-N 1 0 456.610 3.905 20 0 JHADRO CCN(CC)C(=O)COc1cccc(NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC001310026730 1071070533 /nfs/dbraw/zinc/07/05/33/1071070533.db2.gz AGSDWDDDHSMFRB-HSZRJFAPSA-N 1 0 452.599 3.715 20 0 JHADRO CN(CC1CCCCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCC[NH+]1CCCCC1 ZINC001314799701 1071078274 /nfs/dbraw/zinc/07/82/74/1071078274.db2.gz XVXITEFKLUOJDF-QFIPXVFZSA-N 1 0 465.708 3.853 20 0 JHADRO CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CCC[NH+]1CCC(O)CC1 ZINC001313748817 1071079298 /nfs/dbraw/zinc/07/92/98/1071079298.db2.gz WMKHKUWXRRGRIF-UHFFFAOYSA-N 1 0 457.619 3.943 20 0 JHADRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001310045301 1071081910 /nfs/dbraw/zinc/08/19/10/1071081910.db2.gz CYQMADDHQQMOHO-XUVXKRRUSA-N 1 0 457.619 3.596 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(OC)c2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001313750461 1071082942 /nfs/dbraw/zinc/08/29/42/1071082942.db2.gz JSSFSLSLMCHTCH-QHCPKHFHSA-N 1 0 451.619 3.834 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001313751294 1071085902 /nfs/dbraw/zinc/08/59/02/1071085902.db2.gz JIOBOVXOAPXNMC-NRFANRHFSA-N 1 0 467.618 3.597 20 0 JHADRO CN(C[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC2([NH+](C)C)CCC2)C1)C(=O)OC(C)(C)C ZINC001314803377 1071086911 /nfs/dbraw/zinc/08/69/11/1071086911.db2.gz IKATWZCLLIKWQI-VQTJNVASSA-N 1 0 476.666 3.697 20 0 JHADRO Cc1cc(NC(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)ccc1N1CC[NH+](C)CC1 ZINC001310060282 1071090888 /nfs/dbraw/zinc/09/08/88/1071090888.db2.gz QUQNRQLFYHPYGQ-FCHUYYIVSA-N 1 0 457.619 3.753 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccccc2Cl)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001313751822 1071087565 /nfs/dbraw/zinc/08/75/65/1071087565.db2.gz TZJUOKLZGJTLTR-QFIPXVFZSA-N 1 0 460.051 3.796 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccccn2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001313755492 1071095760 /nfs/dbraw/zinc/09/57/60/1071095760.db2.gz LYDYYWPRLANRAO-XMMPIXPASA-N 1 0 458.614 3.635 20 0 JHADRO CN(C[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCC[NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC001314811448 1071105753 /nfs/dbraw/zinc/10/57/53/1071105753.db2.gz NLQWERJVVFWJFY-NRFANRHFSA-N 1 0 485.677 3.853 20 0 JHADRO CN(CC1CCN(c2nnc(CC3CC3)n2CC[N@H+]2CC=CCC2)CC1)C(=O)OC(C)(C)C ZINC001314812099 1071107361 /nfs/dbraw/zinc/10/73/61/1071107361.db2.gz LUNPPRFMNYTJPR-UHFFFAOYSA-N 1 0 458.651 3.576 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313771646 1071122589 /nfs/dbraw/zinc/12/25/89/1071122589.db2.gz KPAWLYVAFQHYMH-SCTDSRPQSA-N 1 0 495.466 3.540 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cc(Br)cn2C)n1CC[NH+]1CCCCCC1 ZINC001313770229 1071119394 /nfs/dbraw/zinc/11/93/94/1071119394.db2.gz AHLPXBFOCCMBES-LJQANCHMSA-N 1 0 479.467 3.927 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314819224 1071131346 /nfs/dbraw/zinc/13/13/46/1071131346.db2.gz NTSRYWDJCJLVOS-SFHVURJKSA-N 1 0 474.993 3.725 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001313774577 1071130487 /nfs/dbraw/zinc/13/04/87/1071130487.db2.gz ULYWWHQAOSBBJL-UGKGYDQZSA-N 1 0 451.619 3.813 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(Cc2ccncc2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001313777903 1071137175 /nfs/dbraw/zinc/13/71/75/1071137175.db2.gz OZQMSRZYDJKURS-XZOQPEGZSA-N 1 0 452.578 3.711 20 0 JHADRO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C(C)(C)C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313777824 1071137209 /nfs/dbraw/zinc/13/72/09/1071137209.db2.gz CUXKEJPYQPSIIP-UHFFFAOYSA-N 1 0 497.732 3.949 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001313778370 1071139508 /nfs/dbraw/zinc/13/95/08/1071139508.db2.gz AJUNNJYWXNRLEA-SXWKCWPCSA-N 1 0 457.619 3.772 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001313778371 1071139522 /nfs/dbraw/zinc/13/95/22/1071139522.db2.gz AJUNNJYWXNRLEA-ZRCGQRJVSA-N 1 0 457.619 3.772 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC=CO1 ZINC001314823840 1071145550 /nfs/dbraw/zinc/14/55/50/1071145550.db2.gz JKZSAPOPQTWUDW-NRFANRHFSA-N 1 0 478.563 3.724 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC[NH+](C(C)C)C(C)C ZINC001313780473 1071144792 /nfs/dbraw/zinc/14/47/92/1071144792.db2.gz NBPULOJWLHXZBS-IBGZPJMESA-N 1 0 467.618 3.718 20 0 JHADRO Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC001310138617 1071147040 /nfs/dbraw/zinc/14/70/40/1071147040.db2.gz BIJHBAWDSCMSCM-UHFFFAOYSA-N 1 0 452.646 3.681 20 0 JHADRO CCN(CC1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+](C)C(C)C)CC1)C(=O)OC(C)(C)C ZINC001313784821 1071156080 /nfs/dbraw/zinc/15/60/80/1071156080.db2.gz HLCDFFNZPYDOIN-NRFANRHFSA-N 1 0 478.682 3.596 20 0 JHADRO CN(CCc1ccc(Br)cc1)c1nnc(Cc2cccnc2)n1CC[NH+]1CCCC1 ZINC001314828702 1071156746 /nfs/dbraw/zinc/15/67/46/1071156746.db2.gz GYQVBFDQJBZQPW-UHFFFAOYSA-N 1 0 469.431 3.801 20 0 JHADRO CCN(C[C@H]1COc2ccccc2O1)c1nnc([C@@H]2CCCCO2)n1CC[N@H+](CC)C(C)C ZINC001313784681 1071156859 /nfs/dbraw/zinc/15/68/59/1071156859.db2.gz GGEHCHPWOBGCET-REWPJTCUSA-N 1 0 457.619 3.916 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001313785228 1071158912 /nfs/dbraw/zinc/15/89/12/1071158912.db2.gz JMSFPCWDPXTBPE-UXHICEINSA-N 1 0 472.600 3.716 20 0 JHADRO CCN(C[C@@H]1COc2ccccc2O1)c1nnc(C(=O)NC(C)C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313786690 1071165632 /nfs/dbraw/zinc/16/56/32/1071165632.db2.gz VEBMDUYWPRLWHO-NHCUHLMSSA-N 1 0 498.672 3.593 20 0 JHADRO CCN(C[C@@H]1COc2ccccc2O1)c1nnc(C(C)(C)C)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001313787430 1071168550 /nfs/dbraw/zinc/16/85/50/1071168550.db2.gz XOKVHFGXGVOTOX-JOCHJYFZSA-N 1 0 484.689 3.516 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCCC2)C1)CC(F)(F)F ZINC001313787903 1071170841 /nfs/dbraw/zinc/17/08/41/1071170841.db2.gz PFQHKSGPCAGOAL-GOSISDBHSA-N 1 0 454.541 3.653 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC[N@@H+](C3CC3)C2)C1)CC(F)(F)F ZINC001313788253 1071173713 /nfs/dbraw/zinc/17/37/13/1071173713.db2.gz QTDTVUQDJRRZKG-ROUUACIJSA-N 1 0 456.601 3.770 20 0 JHADRO 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CN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314862353 1071255991 /nfs/dbraw/zinc/25/59/91/1071255991.db2.gz SKKFTDLWUROFAR-IBGZPJMESA-N 1 0 490.052 3.925 20 0 JHADRO CC[N@H+](CCn1c([C@H]2CCOC2)nnc1N1CC=C(C(F)(F)F)CC1)CCC(F)(F)F ZINC001313813931 1071256124 /nfs/dbraw/zinc/25/61/24/1071256124.db2.gz IELGHFGKFCZHCB-AWEZNQCLSA-N 1 0 455.447 3.755 20 0 JHADRO CC(C)(C)NC(=O)c1ccccc1NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001310278019 1071261230 /nfs/dbraw/zinc/26/12/30/1071261230.db2.gz OJVJBEZPKSJDGH-UHFFFAOYSA-N 1 0 451.615 3.544 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1nncn1C)CCC(F)(F)F ZINC001313816067 1071261948 /nfs/dbraw/zinc/26/19/48/1071261948.db2.gz CGGOQJZNETXVQR-QGZVFWFLSA-N 1 0 482.580 3.675 20 0 JHADRO CC[N@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)C(C)C ZINC001313816978 1071263607 /nfs/dbraw/zinc/26/36/07/1071263607.db2.gz XCKXVYXRNHTWLS-SFTDATJTSA-N 1 0 457.594 3.751 20 0 JHADRO CC[N@H+](CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccc2)CC1)CCC(F)(F)F ZINC001313816760 1071263641 /nfs/dbraw/zinc/26/36/41/1071263641.db2.gz XOLOPCVWCPDITE-UHFFFAOYSA-N 1 0 478.563 3.782 20 0 JHADRO CC[N@H+](CCn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)C1CC1 ZINC001313818007 1071267364 /nfs/dbraw/zinc/26/73/64/1071267364.db2.gz PYVVYZHRQOQMCJ-SFHVURJKSA-N 1 0 474.053 3.864 20 0 JHADRO CC[N@H+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CC(C)C)C1)C1CC1 ZINC001313818208 1071268048 /nfs/dbraw/zinc/26/80/48/1071268048.db2.gz TXHARWVEYRYGAQ-IFMALSPDSA-N 1 0 490.693 3.943 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nc(C)cs2)CC1)C(C)C ZINC001313818650 1071269479 /nfs/dbraw/zinc/26/94/79/1071269479.db2.gz OHJAMCNFECYCPN-UHFFFAOYSA-N 1 0 471.650 3.830 20 0 JHADRO CC[N@H+](CCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C1CC1 ZINC001313819192 1071272265 /nfs/dbraw/zinc/27/22/65/1071272265.db2.gz IECTUHBXWJNJMO-UHFFFAOYSA-N 1 0 466.674 3.632 20 0 JHADRO CC[N@H+](CCn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1)C1CC1 ZINC001313819200 1071272403 /nfs/dbraw/zinc/27/24/03/1071272403.db2.gz ILLLOZBQUOLLMJ-FQEVSTJZSA-N 1 0 451.537 3.705 20 0 JHADRO C[N@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CCCCC1 ZINC001314867160 1071273218 /nfs/dbraw/zinc/27/32/18/1071273218.db2.gz ZNASCNPINARXEC-FGZHOGPDSA-N 1 0 488.721 3.815 20 0 JHADRO CN(CCn1cccn1)c1nnc(-c2ccc(F)cc2Br)n1CCC[NH+]1CCCC1 ZINC001314869020 1071278171 /nfs/dbraw/zinc/27/81/71/1071278171.db2.gz YXTKRPFWGMOXJD-UHFFFAOYSA-N 1 0 476.398 3.666 20 0 JHADRO CC[N@H+](CCn1c(COc2ccccc2F)nnc1N1CCC(c2cnn(C)c2)CC1)C(C)C ZINC001313820917 1071279783 /nfs/dbraw/zinc/27/97/83/1071279783.db2.gz XMYOMKUXIUQLLV-UHFFFAOYSA-N 1 0 469.609 3.844 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001314867757 1071275427 /nfs/dbraw/zinc/27/54/27/1071275427.db2.gz SLVZNROXPFNXNH-LEWJYISDSA-N 1 0 476.666 3.840 20 0 JHADRO CN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001314868058 1071276185 /nfs/dbraw/zinc/27/61/85/1071276185.db2.gz WLVMBTFBZFSBDQ-NJDAHSKKSA-N 1 0 490.693 3.738 20 0 JHADRO CN(CCn1cccn1)c1nnc(-c2cccc(OC(F)F)c2)n1CC1([NH+](C)C)CCCC1 ZINC001314868998 1071277995 /nfs/dbraw/zinc/27/79/95/1071277995.db2.gz XYTWPWJBRQYGCZ-UHFFFAOYSA-N 1 0 459.545 3.754 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)C(C)C ZINC001313821438 1071282366 /nfs/dbraw/zinc/28/23/66/1071282366.db2.gz XAZLVCXWOCLTFT-NBGIEHNGSA-N 1 0 459.610 3.513 20 0 JHADRO CC[N@H+](CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)C(C)C ZINC001313822124 1071284505 /nfs/dbraw/zinc/28/45/05/1071284505.db2.gz MHWRNLJHEJRNBP-QHWMMSMNSA-N 1 0 485.673 3.977 20 0 JHADRO CC[N@H+](CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1)C(C)C ZINC001313822123 1071284543 /nfs/dbraw/zinc/28/45/43/1071284543.db2.gz MHWRNLJHEJRNBP-OBTVHEKISA-N 1 0 485.673 3.977 20 0 JHADRO CC[N@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C)cc2)CC1)C(C)C ZINC001313822504 1071286064 /nfs/dbraw/zinc/28/60/64/1071286064.db2.gz RKXGCIRICVISQN-UHFFFAOYSA-N 1 0 495.697 3.635 20 0 JHADRO CN(CCN1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1CC1([NH+](C)C)CCCCC1 ZINC001314872464 1071287137 /nfs/dbraw/zinc/28/71/37/1071287137.db2.gz KEMSADQKHVMKQA-UHFFFAOYSA-N 1 0 460.711 3.822 20 0 JHADRO CC[N@H+](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccn1)C1CC1 ZINC001313822903 1071287372 /nfs/dbraw/zinc/28/73/72/1071287372.db2.gz YJRCXJHWOANUST-PUZFROQSSA-N 1 0 469.634 3.565 20 0 JHADRO CN(CCN1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314872798 1071288926 /nfs/dbraw/zinc/28/89/26/1071288926.db2.gz OKMDBZKNZDDDAA-QFIPXVFZSA-N 1 0 460.711 3.678 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCOC2)C1)C(C)C ZINC001313826208 1071295608 /nfs/dbraw/zinc/29/56/08/1071295608.db2.gz JWLJWZACPYCBPQ-NBGIEHNGSA-N 1 0 476.666 3.697 20 0 JHADRO 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CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001310337613 1071319680 /nfs/dbraw/zinc/31/96/80/1071319680.db2.gz VAUTTZSMBHZLEI-OAQYLSRUSA-N 1 0 450.649 3.834 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cnn(Cc2ccccc2)c1 ZINC001310340718 1071323905 /nfs/dbraw/zinc/32/39/05/1071323905.db2.gz AZANZYIDIAONRI-UHFFFAOYSA-N 1 0 452.990 3.919 20 0 JHADRO CCn1cc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[NH+](CC(C)C)CC2)cn1 ZINC001313843193 1071331104 /nfs/dbraw/zinc/33/11/04/1071331104.db2.gz CCQLWNQIHKKLKL-UHFFFAOYSA-N 1 0 458.010 3.650 20 0 JHADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC001310346369 1071328483 /nfs/dbraw/zinc/32/84/83/1071328483.db2.gz LXAVCEZHVIQVMZ-UHFFFAOYSA-N 1 0 455.360 3.816 20 0 JHADRO Cc1ccc(NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cc1S(N)(=O)=O ZINC001310354335 1071332941 /nfs/dbraw/zinc/33/29/41/1071332941.db2.gz SFNJBVMJHMDDKD-UHFFFAOYSA-N 1 0 452.580 3.693 20 0 JHADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC001310359986 1071337880 /nfs/dbraw/zinc/33/78/80/1071337880.db2.gz NNDOPQBQUWAXEV-SFHVURJKSA-N 1 0 451.424 3.893 20 0 JHADRO Cn1cc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001314904861 1071342930 /nfs/dbraw/zinc/34/29/30/1071342930.db2.gz CLCOVUHILOBNTN-UHFFFAOYSA-N 1 0 460.051 3.926 20 0 JHADRO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC001310371093 1071347162 /nfs/dbraw/zinc/34/71/62/1071347162.db2.gz JLSYNYGONXUDNZ-GMAHTHKFSA-N 1 0 453.583 3.575 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313857871 1071357528 /nfs/dbraw/zinc/35/75/28/1071357528.db2.gz DITSUKLMWIWCQH-SJORKVTESA-N 1 0 487.530 3.911 20 0 JHADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC001310385547 1071357682 /nfs/dbraw/zinc/35/76/82/1071357682.db2.gz RKFKAJZCGAHGBW-HSZRJFAPSA-N 1 0 453.974 3.997 20 0 JHADRO 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CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313862771 1071378167 /nfs/dbraw/zinc/37/81/67/1071378167.db2.gz RJPHEXPGPHBFDW-FGTMMUONSA-N 1 0 469.552 3.988 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)N(C)C)C[C@H]1C ZINC001313862686 1071378196 /nfs/dbraw/zinc/37/81/96/1071378196.db2.gz UHTQJQWFOLQASV-QZTJIDSGSA-N 1 0 458.676 3.673 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)N(C)C)C[C@@H]1C ZINC001313862979 1071378709 /nfs/dbraw/zinc/37/87/09/1071378709.db2.gz UHTQJQWFOLQASV-ROUUACIJSA-N 1 0 458.676 3.673 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cnn(C)c2C)C[C@H]1C ZINC001313863866 1071383984 /nfs/dbraw/zinc/38/39/84/1071383984.db2.gz ULDARUGSQSMAOD-AOIWGVFYSA-N 1 0 455.582 3.566 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccn2)C[C@@H]1C ZINC001313863885 1071384183 /nfs/dbraw/zinc/38/41/83/1071384183.db2.gz UONPSQFOAFAGPQ-JKSUJKDBSA-N 1 0 458.408 3.592 20 0 JHADRO 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CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313864975 1071389503 /nfs/dbraw/zinc/38/95/03/1071389503.db2.gz NFULPGVEDTUJSV-WOJBJXKFSA-N 1 0 471.650 3.872 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cccc(COC(C)(C)C)c2)C[C@H]1C ZINC001313866345 1071395140 /nfs/dbraw/zinc/39/51/40/1071395140.db2.gz FYLJLMOVDQHXCF-NHCUHLMSSA-N 1 0 482.673 3.683 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313866277 1071395158 /nfs/dbraw/zinc/39/51/58/1071395158.db2.gz FSPITVLRUJQVFN-PKTZIBPZSA-N 1 0 466.674 3.775 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CCn2cc(Cl)cn2)C[C@@H]1C ZINC001313866249 1071395223 /nfs/dbraw/zinc/39/52/23/1071395223.db2.gz FQLWBZJHFFNPNS-VQTJNVASSA-N 1 0 456.038 3.922 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313866280 1071395248 /nfs/dbraw/zinc/39/52/48/1071395248.db2.gz FSPITVLRUJQVFN-XZOQPEGZSA-N 1 0 466.674 3.775 20 0 JHADRO Cc1c(NC(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cnn1CC(C)C ZINC001310446805 1071395554 /nfs/dbraw/zinc/39/55/54/1071395554.db2.gz PNRCUXLHLBSWHO-UHFFFAOYSA-N 1 0 450.628 3.692 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001314943280 1071395908 /nfs/dbraw/zinc/39/59/08/1071395908.db2.gz IGZSXLXFZLGFBX-GOSISDBHSA-N 1 0 477.078 3.671 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](OC)C(C)(C)C)C[C@@H]1C ZINC001313866666 1071396312 /nfs/dbraw/zinc/39/63/12/1071396312.db2.gz KSCFLVWSSVFONX-SPEDKVCISA-N 1 0 457.619 3.696 20 0 JHADRO CN1CCN(Cc2ccccc2)[C@H](CNC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)C1 ZINC001310450819 1071396816 /nfs/dbraw/zinc/39/68/16/1071396816.db2.gz CQCWHEWHDITKLJ-HXUWFJFHSA-N 1 0 456.562 3.719 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313866942 1071397487 /nfs/dbraw/zinc/39/74/87/1071397487.db2.gz RIMXMWYFOWGYOY-OALUTQOASA-N 1 0 486.665 3.738 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001314943934 1071397834 /nfs/dbraw/zinc/39/78/34/1071397834.db2.gz ZMBLENGGUVEYDV-UHFFFAOYSA-N 1 0 497.471 3.857 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001313867154 1071398894 /nfs/dbraw/zinc/39/88/94/1071398894.db2.gz LZFAWCWQUUHSGT-RTBURBONSA-N 1 0 489.686 3.793 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001314944543 1071399511 /nfs/dbraw/zinc/39/95/11/1071399511.db2.gz CHVALPWFJVFLDB-GOSISDBHSA-N 1 0 482.032 3.728 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(OC)C2CC2)C[C@H]1C ZINC001313867569 1071400926 /nfs/dbraw/zinc/40/09/26/1071400926.db2.gz KFKUUJVBNUBWSZ-BVFVYWQFSA-N 1 0 455.647 3.806 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314946602 1071405727 /nfs/dbraw/zinc/40/57/27/1071405727.db2.gz UIELTTKVTPGZPE-YJBOKZPZSA-N 1 0 491.061 3.790 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC001313868453 1071404475 /nfs/dbraw/zinc/40/44/75/1071404475.db2.gz BIQDTVMYLACKFP-WOJBJXKFSA-N 1 0 481.645 3.826 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2[C@@H]2C[C@H]2CF)C[C@@H]1C ZINC001313868766 1071406556 /nfs/dbraw/zinc/40/65/56/1071406556.db2.gz NSQMOCALAKWCGQ-KVPLUYHFSA-N 1 0 464.630 3.842 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccoc2)C[C@H]1C ZINC001313869504 1071409430 /nfs/dbraw/zinc/40/94/30/1071409430.db2.gz PIYMAAUXXHQPHM-MOPGFXCFSA-N 1 0 472.634 3.953 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001314948063 1071409479 /nfs/dbraw/zinc/40/94/79/1071409479.db2.gz JTXVSINBBIZVCA-MOPGFXCFSA-N 1 0 495.697 3.927 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313870582 1071414179 /nfs/dbraw/zinc/41/41/79/1071414179.db2.gz DNALEFPQAGYMLL-ZWKOTPCHSA-N 1 0 489.546 3.676 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCOC)C[C@H]1C ZINC001313870880 1071414974 /nfs/dbraw/zinc/41/49/74/1071414974.db2.gz ROOSLAVIIFQTHL-WOJBJXKFSA-N 1 0 478.682 3.738 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC2(O)CCCCCC2)C[C@H]1C ZINC001313871083 1071415806 /nfs/dbraw/zinc/41/58/06/1071415806.db2.gz WQZHNQAEVULOTC-FGZHOGPDSA-N 1 0 455.647 3.904 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@](C)(O)c2cccs2)C[C@H]1C ZINC001313871147 1071416714 /nfs/dbraw/zinc/41/67/14/1071416714.db2.gz XKTUPRFUDHICCF-RNHFSVANSA-N 1 0 453.656 3.951 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2C[C@](C)(O)c2ccco2)C[C@H]1C ZINC001313871206 1071416808 /nfs/dbraw/zinc/41/68/08/1071416808.db2.gz YCNROFXLABPEKS-SWYRRKHMSA-N 1 0 451.615 3.873 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCNc2ccccn2)C[C@H]1C ZINC001313872968 1071422645 /nfs/dbraw/zinc/42/26/45/1071422645.db2.gz YDPIJDLKCLLGLL-UXHICEINSA-N 1 0 479.629 3.778 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC[NH+]1CCCC1 ZINC001314950732 1071419005 /nfs/dbraw/zinc/41/90/05/1071419005.db2.gz MFWRWNOPGXGRRQ-HNNXBMFYSA-N 1 0 497.869 3.665 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCCO2)C[C@H]1C ZINC001313871944 1071419033 /nfs/dbraw/zinc/41/90/33/1071419033.db2.gz VVGUAXBEJBVVHO-SOLBZPMBSA-N 1 0 478.435 3.814 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cc(C)no2)C[C@H]1C ZINC001313871872 1071419232 /nfs/dbraw/zinc/41/92/32/1071419232.db2.gz UMGIIKBCIWOPQZ-AABGKKOBSA-N 1 0 487.649 3.656 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNC(=O)C(C)C)C[C@@H]1C ZINC001313871957 1071419772 /nfs/dbraw/zinc/41/97/72/1071419772.db2.gz VYBGSCGCTDIWOI-ZWKOTPCHSA-N 1 0 477.053 3.688 20 0 JHADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Nc2ccc(Br)c3ccccc23)CC1 ZINC001310479370 1071420802 /nfs/dbraw/zinc/42/08/02/1071420802.db2.gz ZPWVOFUOVVIXJD-UHFFFAOYSA-N 1 0 459.388 3.940 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2C[C@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001313872652 1071421778 /nfs/dbraw/zinc/42/17/78/1071421778.db2.gz JZIFPVFPJLPIAI-JTDSTZFVSA-N 1 0 489.462 3.541 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001313872687 1071423165 /nfs/dbraw/zinc/42/31/65/1071423165.db2.gz KFHPZBXXPYKPGJ-IAGOWNOFSA-N 1 0 475.519 3.643 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)N2CCCCC2)C[C@H]1C ZINC001313873283 1071424599 /nfs/dbraw/zinc/42/45/99/1071424599.db2.gz KWHQAQZJEOGUON-WOJBJXKFSA-N 1 0 473.065 3.844 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001314954030 1071426109 /nfs/dbraw/zinc/42/61/09/1071426109.db2.gz PTNHTBBGHRVUAN-PMACEKPBSA-N 1 0 465.646 3.757 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001313874312 1071427031 /nfs/dbraw/zinc/42/70/31/1071427031.db2.gz NLHPNLGCZACCSM-MSOLQXFVSA-N 1 0 461.054 3.604 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCCCCS(C)(=O)=O)C[C@@H]1C ZINC001313874081 1071427110 /nfs/dbraw/zinc/42/71/10/1071427110.db2.gz MKZRZFHAKAUSBW-OALUTQOASA-N 1 0 482.094 3.656 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(C)C)nnc2N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001313874963 1071429490 /nfs/dbraw/zinc/42/94/90/1071429490.db2.gz CFAYKMYQMXZLOS-UHFFFAOYSA-N 1 0 482.673 3.771 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(F)cn2)C[C@H]1C ZINC001313874724 1071430620 /nfs/dbraw/zinc/43/06/20/1071430620.db2.gz JUKZFYTVWITCNH-UXHICEINSA-N 1 0 452.578 3.975 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313875332 1071433020 /nfs/dbraw/zinc/43/30/20/1071433020.db2.gz RTTSYFDXRWOOMV-AABGKKOBSA-N 1 0 469.634 3.659 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001313876189 1071436884 /nfs/dbraw/zinc/43/68/84/1071436884.db2.gz HCYMKPGDRPRILU-UHFFFAOYSA-N 1 0 456.635 3.663 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3C)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001313877269 1071438988 /nfs/dbraw/zinc/43/89/88/1071438988.db2.gz VRMHETZRMBGRRM-RTBURBONSA-N 1 0 450.587 3.633 20 0 JHADRO CCN1C[C@@H](CN(C)c2nnc(-c3cccn3C)n2C[C@@H](CC(C)C)[NH+](C)C)Oc2ccccc21 ZINC001313876786 1071439355 /nfs/dbraw/zinc/43/93/55/1071439355.db2.gz OLIMUZLXJCFGIE-FGZHOGPDSA-N 1 0 479.673 3.984 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001313875906 1071436622 /nfs/dbraw/zinc/43/66/22/1071436622.db2.gz GDWFVYRAAHCSFB-IBGZPJMESA-N 1 0 488.608 3.568 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001313877995 1071443910 /nfs/dbraw/zinc/44/39/10/1071443910.db2.gz ZSWUBFIXLJOOIE-UHFFFAOYSA-N 1 0 465.017 3.820 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2CCC2(O)CCC2)C[C@H]1C ZINC001313878845 1071445936 /nfs/dbraw/zinc/44/59/36/1071445936.db2.gz ZCKSXSILIZCYQX-IAGOWNOFSA-N 1 0 462.436 3.932 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314966059 1071448386 /nfs/dbraw/zinc/44/83/86/1071448386.db2.gz YRHSATGOXJELPO-HBMCJLEFSA-N 1 0 472.703 3.818 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)C[C@H]1C ZINC001313879242 1071448430 /nfs/dbraw/zinc/44/84/30/1071448430.db2.gz ZIIAEDZRPQWZGV-HHJKRLRDSA-N 1 0 469.033 3.744 20 0 JHADRO CC[NH+]1CCC(CCn2c(CC(C)(C)C)nnc2N2CCN([C@H](C)c3nc(C)no3)CC2)CC1 ZINC001313879302 1071449487 /nfs/dbraw/zinc/44/94/87/1071449487.db2.gz AJPXNLFLFSBERC-LJQANCHMSA-N 1 0 472.682 3.563 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(OC)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001313879670 1071450597 /nfs/dbraw/zinc/45/05/97/1071450597.db2.gz ADRNMLQGWFUCQE-XMMPIXPASA-N 1 0 471.646 3.706 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001314966815 1071450780 /nfs/dbraw/zinc/45/07/80/1071450780.db2.gz VDBHNIHOCWZZAZ-QHCPKHFHSA-N 1 0 491.478 3.789 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3C)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001313879816 1071451160 /nfs/dbraw/zinc/45/11/60/1071451160.db2.gz CHOGPPBKFLPGLZ-HSZRJFAPSA-N 1 0 452.647 3.680 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccn3C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313879854 1071451233 /nfs/dbraw/zinc/45/12/33/1071451233.db2.gz CYVNTZVNKAAGSF-IBGZPJMESA-N 1 0 468.568 3.953 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccnc3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001313881042 1071453985 /nfs/dbraw/zinc/45/39/85/1071453985.db2.gz NYXHUBTVHRKFRY-SIKLNZKXSA-N 1 0 483.661 3.812 20 0 JHADRO CC[NH+]1CCC(CCn2c(N(C)CC3CC(F)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001313881184 1071454464 /nfs/dbraw/zinc/45/44/64/1071454464.db2.gz HEORREOZVLMOMP-VUNKPPBISA-N 1 0 451.631 3.625 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)c2ccc(Cl)cc2)C[C@@H]1C ZINC001313881298 1071454557 /nfs/dbraw/zinc/45/45/57/1071454557.db2.gz BULIYUKUYUMLBW-XMFZQDBWSA-N 1 0 492.064 3.962 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)CC1 ZINC001313881510 1071455287 /nfs/dbraw/zinc/45/52/87/1071455287.db2.gz RNCTVCVEFXTFLR-QHCPKHFHSA-N 1 0 482.673 3.817 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(OC)cc3OC)nnc2N2CCOC(C)(C)C2)CC1 ZINC001313882145 1071457578 /nfs/dbraw/zinc/45/75/78/1071457578.db2.gz VYLRADIZARKXGD-UHFFFAOYSA-N 1 0 457.619 3.700 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccc4cccnc43)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001313882170 1071457590 /nfs/dbraw/zinc/45/75/90/1071457590.db2.gz WOJYZPDXAYHSAX-UHFFFAOYSA-N 1 0 463.630 3.576 20 0 JHADRO CC[NH+]1CCC(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001313882122 1071457611 /nfs/dbraw/zinc/45/76/11/1071457611.db2.gz HDMUQOXCBGOZQV-UHFFFAOYSA-N 1 0 488.702 3.785 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCCO2)n1CCC1CC[NH+](CC)CC1 ZINC001313881697 1071456126 /nfs/dbraw/zinc/45/61/26/1071456126.db2.gz NFLSGSUZRIWWSV-XMMPIXPASA-N 1 0 482.673 3.980 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3OC)n2CCCCC[NH+]2CCCCC2)C1 ZINC001314974195 1071463299 /nfs/dbraw/zinc/46/32/99/1071463299.db2.gz PJHNCZPCZXGWDE-AREMUKBSSA-N 1 0 468.646 3.572 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccccc3OC)n2CCCCC[NH+]2CCCCC2)C1 ZINC001314974196 1071463343 /nfs/dbraw/zinc/46/33/43/1071463343.db2.gz PJHNCZPCZXGWDE-SANMLTNESA-N 1 0 468.646 3.572 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001313882670 1071458912 /nfs/dbraw/zinc/45/89/12/1071458912.db2.gz ZVZADEVIEQNUSM-NDEPHWFRSA-N 1 0 496.700 3.978 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H]2CSCCS2)C[C@H]1C ZINC001313882699 1071459026 /nfs/dbraw/zinc/45/90/26/1071459026.db2.gz GFRGMSLXIOSNSX-QYZOEREBSA-N 1 0 477.700 3.633 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC001313882815 1071459772 /nfs/dbraw/zinc/45/97/72/1071459772.db2.gz MWAVHQITEWDHGN-NRFANRHFSA-N 1 0 488.627 3.622 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)C1 ZINC001313882858 1071459894 /nfs/dbraw/zinc/45/98/94/1071459894.db2.gz AIZQRCFTPKAIQK-UFYCRDLUSA-N 1 0 456.660 3.819 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@H](C(=O)OC)C2)C1 ZINC001313882995 1071460599 /nfs/dbraw/zinc/46/05/99/1071460599.db2.gz CIVRKPYLSXRJRD-FHWLQOOXSA-N 1 0 476.021 3.803 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001313883190 1071461313 /nfs/dbraw/zinc/46/13/13/1071461313.db2.gz PTPFINUGOFIGAS-UHFFFAOYSA-N 1 0 484.689 3.947 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001313885078 1071465835 /nfs/dbraw/zinc/46/58/35/1071465835.db2.gz WUKAPEWBSKXDNP-GGAORHGYSA-N 1 0 482.673 3.729 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 ZINC001313885042 1071465929 /nfs/dbraw/zinc/46/59/29/1071465929.db2.gz WHNSLHXKUXONHK-HBMCJLEFSA-N 1 0 486.636 3.592 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCN(C)c2ccccc2)C1 ZINC001313885250 1071466488 /nfs/dbraw/zinc/46/64/88/1071466488.db2.gz BCDIZJSZFFUPGS-IBGZPJMESA-N 1 0 454.022 3.908 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314975943 1071466951 /nfs/dbraw/zinc/46/69/51/1071466951.db2.gz AKWODPQYEBQJSY-HHHXNRCGSA-N 1 0 484.689 3.839 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001313885599 1071467239 /nfs/dbraw/zinc/46/72/39/1071467239.db2.gz DWTLJEBEUIMLQL-AWEZNQCLSA-N 1 0 453.538 3.737 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2C[C@@H](C)[C@@H](F)C2)C1 ZINC001313885724 1071468350 /nfs/dbraw/zinc/46/83/50/1071468350.db2.gz HGGHAUPRWKOHML-LBTNJELSSA-N 1 0 454.363 3.983 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCC[C@H](COC)C2)C1 ZINC001313886691 1071470810 /nfs/dbraw/zinc/47/08/10/1071470810.db2.gz PKHNBPHYWJLSHQ-RTWAWAEBSA-N 1 0 471.646 3.946 20 0 JHADRO CNC(=O)c1cccc(CCn2c(N3CC[NH+](C4CCCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001314977086 1071471090 /nfs/dbraw/zinc/47/10/90/1071471090.db2.gz GMNXDYDIHAZNCG-UHFFFAOYSA-N 1 0 452.647 3.633 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314978152 1071474878 /nfs/dbraw/zinc/47/48/78/1071474878.db2.gz QCBMHVMQSDWTGO-WXVAWEFUSA-N 1 0 482.673 3.783 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCSC[C@H]2C)C1 ZINC001313887032 1071472379 /nfs/dbraw/zinc/47/23/79/1071472379.db2.gz SGFNVNPBYCWBIX-HZPDHXFCSA-N 1 0 450.450 3.991 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N(C)CCOCC2CC2)C1 ZINC001313887999 1071474927 /nfs/dbraw/zinc/47/49/27/1071474927.db2.gz ZNRATYLZITUEEU-GOSISDBHSA-N 1 0 462.436 3.912 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)C1 ZINC001313887834 1071474128 /nfs/dbraw/zinc/47/41/28/1071474128.db2.gz LFQKFTXFCYROLX-IRXDYDNUSA-N 1 0 486.533 3.562 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cc(Br)cs2)C1 ZINC001313887815 1071474331 /nfs/dbraw/zinc/47/43/31/1071474331.db2.gz LDMMQQNNXQNZDV-HUUCEWRRSA-N 1 0 454.438 3.584 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 ZINC001313888033 1071475122 /nfs/dbraw/zinc/47/51/22/1071475122.db2.gz FXKXLRRSESCZGF-HUUCEWRRSA-N 1 0 482.448 3.500 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001313888072 1071475846 /nfs/dbraw/zinc/47/58/46/1071475846.db2.gz GKGOOFKBAPCFQN-MRXNPFEDSA-N 1 0 495.491 3.593 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCC(C)(COC)CC2)C1 ZINC001313888078 1071475865 /nfs/dbraw/zinc/47/58/65/1071475865.db2.gz GMOBIQSTIQGFCX-LJQANCHMSA-N 1 0 487.645 3.566 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnc(C(C)C)nc2)C1 ZINC001313888124 1071475981 /nfs/dbraw/zinc/47/59/81/1071475981.db2.gz MJHAMCFKPJNALA-HXUWFJFHSA-N 1 0 451.594 3.900 20 0 JHADRO 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CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1Cc2ccc(Br)cc2C1 ZINC001313906290 1071523390 /nfs/dbraw/zinc/52/33/90/1071523390.db2.gz PJFLMOQGMNTFEU-LJQANCHMSA-N 1 0 475.435 3.573 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001315000944 1071523358 /nfs/dbraw/zinc/52/33/58/1071523358.db2.gz VORJUKQVYAWWAX-FQEVSTJZSA-N 1 0 473.046 3.925 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001313906145 1071523504 /nfs/dbraw/zinc/52/35/04/1071523504.db2.gz TYXVIPFYFCRENT-NRFANRHFSA-N 1 0 487.645 3.672 20 0 JHADRO CNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001315002747 1071528212 /nfs/dbraw/zinc/52/82/12/1071528212.db2.gz IEDZUFAKNIFRFI-UHFFFAOYSA-N 1 0 489.064 3.595 20 0 JHADRO CNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001315003152 1071529248 /nfs/dbraw/zinc/52/92/48/1071529248.db2.gz QERPPXRFQAGGEL-JOCHJYFZSA-N 1 0 482.673 3.701 20 0 JHADRO 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CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912210 1071539622 /nfs/dbraw/zinc/53/96/22/1071539622.db2.gz MXCDWDDDNVUCTO-HBMCJLEFSA-N 1 0 476.666 3.745 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC001313914149 1071546262 /nfs/dbraw/zinc/54/62/62/1071546262.db2.gz SCUDSNOPHRRXCK-FCHUYYIVSA-N 1 0 474.719 3.922 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(C3CCCC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001315021660 1071543047 /nfs/dbraw/zinc/54/30/47/1071543047.db2.gz BUHULWXSMCAQOM-JOCHJYFZSA-N 1 0 456.610 3.730 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCO1 ZINC001313915126 1071549939 /nfs/dbraw/zinc/54/99/39/1071549939.db2.gz PWHQMRIHLZTOAO-PLACYPQZSA-N 1 0 476.666 3.538 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2ccco2)[NH+](C)C)CC1=O ZINC001313915788 1071551463 /nfs/dbraw/zinc/55/14/63/1071551463.db2.gz LNVOFFNHQCVNLU-IBGZPJMESA-N 1 0 456.978 3.553 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[NH+]1CCC(C)CC1 ZINC001315026641 1071552324 /nfs/dbraw/zinc/55/23/24/1071552324.db2.gz KKZHDKUKBOGAIA-UHFFFAOYSA-N 1 0 467.445 3.946 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001315028239 1071555504 /nfs/dbraw/zinc/55/55/04/1071555504.db2.gz BFUUNUJBJMBEAT-INIZCTEOSA-N 1 0 497.507 3.852 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315028531 1071556010 /nfs/dbraw/zinc/55/60/10/1071556010.db2.gz IICXISFXGRBWPS-IBGZPJMESA-N 1 0 451.619 3.509 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313919711 1071557431 /nfs/dbraw/zinc/55/74/31/1071557431.db2.gz FMFGAIUGJWCAQY-RBUKOAKNSA-N 1 0 492.510 3.934 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313920528 1071559458 /nfs/dbraw/zinc/55/94/58/1071559458.db2.gz KBWONYMJFKLFFX-QGZVFWFLSA-N 1 0 452.981 3.860 20 0 JHADRO CCN1CCCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1=O ZINC001313920891 1071559917 /nfs/dbraw/zinc/55/99/17/1071559917.db2.gz JDDGFPHQJNUWKF-IBGZPJMESA-N 1 0 495.697 3.822 20 0 JHADRO CNC(=O)CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315031180 1071560577 /nfs/dbraw/zinc/56/05/77/1071560577.db2.gz FJHJIKWCCKXTGQ-MHPIHPPYSA-N 1 0 474.625 3.640 20 0 JHADRO CCN1CCCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313921546 1071561916 /nfs/dbraw/zinc/56/19/16/1071561916.db2.gz ORHDQZCIDNMGOD-JOCHJYFZSA-N 1 0 482.673 3.735 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1([NH+](C)C)CCCC1 ZINC001315033418 1071564292 /nfs/dbraw/zinc/56/42/92/1071564292.db2.gz RKKCERGGLRKGMJ-UHFFFAOYSA-N 1 0 497.869 3.808 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001315033806 1071565341 /nfs/dbraw/zinc/56/53/41/1071565341.db2.gz NAGUUUKXJXYUKY-MRXNPFEDSA-N 1 0 495.441 3.541 20 0 JHADRO CNC(=O)CCN(C)c1nnc(Cc2ccsc2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001315038522 1071571386 /nfs/dbraw/zinc/57/13/86/1071571386.db2.gz GLJDQKZMACMUQT-UHFFFAOYSA-N 1 0 466.655 3.537 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N(C)CCOc2ccccc2Cl)CC1 ZINC001313926111 1071575621 /nfs/dbraw/zinc/57/56/21/1071575621.db2.gz CIVNXMSALGKODA-IBGZPJMESA-N 1 0 461.054 3.740 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CC3)nnc2N(C)Cc2csc(Br)c2)CC1 ZINC001313926064 1071575660 /nfs/dbraw/zinc/57/56/60/1071575660.db2.gz BSPNPHNNQARLMV-OAHLLOKOSA-N 1 0 467.481 3.642 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313925207 1071572834 /nfs/dbraw/zinc/57/28/34/1071572834.db2.gz MUOASVZMIZSAMQ-RTBURBONSA-N 1 0 461.054 3.628 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001313925414 1071573904 /nfs/dbraw/zinc/57/39/04/1071573904.db2.gz PZOMGTAVJGBGIO-OAQYLSRUSA-N 1 0 479.673 3.771 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(Cc2cccnc2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001313925697 1071574101 /nfs/dbraw/zinc/57/41/01/1071574101.db2.gz BBKSHDFEHWJJFO-FQEVSTJZSA-N 1 0 483.611 3.595 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313926183 1071575416 /nfs/dbraw/zinc/57/54/16/1071575416.db2.gz AZXHDZPBHZQLAF-DHIUTWEWSA-N 1 0 486.730 3.832 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N(C)Cc2ccc(OC)cc2)CC1 ZINC001313926841 1071576105 /nfs/dbraw/zinc/57/61/05/1071576105.db2.gz GVKXSXXDACFYIS-NRFANRHFSA-N 1 0 454.663 3.682 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N(C)Cc2ccc(OC)cc2)CC1 ZINC001313926842 1071576149 /nfs/dbraw/zinc/57/61/49/1071576149.db2.gz GVKXSXXDACFYIS-OAQYLSRUSA-N 1 0 454.663 3.682 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313927294 1071578045 /nfs/dbraw/zinc/57/80/45/1071578045.db2.gz IJGXIJZPTHEPEP-QFIPXVFZSA-N 1 0 468.690 3.597 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313927089 1071578791 /nfs/dbraw/zinc/57/87/91/1071578791.db2.gz ZYVGBTVHKOCNRZ-KRWDZBQOSA-N 1 0 483.007 3.869 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001313927358 1071580025 /nfs/dbraw/zinc/58/00/25/1071580025.db2.gz JWMVXVZLZFFGTI-YADHBBJMSA-N 1 0 454.638 3.827 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCNC(=O)C(C)C)C[C@H]1C ZINC001313928328 1071583241 /nfs/dbraw/zinc/58/32/41/1071583241.db2.gz AMHIWONTPGZXCD-UXHICEINSA-N 1 0 491.080 3.991 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001313928165 1071583264 /nfs/dbraw/zinc/58/32/64/1071583264.db2.gz QZXFAVTZJFZDAG-FQEVSTJZSA-N 1 0 483.686 3.838 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001315074607 1071586649 /nfs/dbraw/zinc/58/66/49/1071586649.db2.gz QPLUENBFCMEPPP-QFIPXVFZSA-N 1 0 499.656 3.864 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313929006 1071585375 /nfs/dbraw/zinc/58/53/75/1071585375.db2.gz WZSSOVUIWGVIBK-GSPCLOLRSA-N 1 0 492.778 3.801 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCC=C(C)C2)CC1 ZINC001313929017 1071586012 /nfs/dbraw/zinc/58/60/12/1071586012.db2.gz XAIPLJUMMZUDJJ-HSZRJFAPSA-N 1 0 452.647 3.656 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(OCCCOC)c2)C[C@@H]1C ZINC001313930483 1071589535 /nfs/dbraw/zinc/58/95/35/1071589535.db2.gz DAKMGBUZWBXCNZ-IBGZPJMESA-N 1 0 453.587 3.841 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(CSC)c2)C[C@@H]1C ZINC001313930885 1071590236 /nfs/dbraw/zinc/59/02/36/1071590236.db2.gz CZUWPWRBOXDNEG-NBGIEHNGSA-N 1 0 473.687 3.760 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001313931534 1071592398 /nfs/dbraw/zinc/59/23/98/1071592398.db2.gz USXRZRKSGSCHOY-XMSQKQJNSA-N 1 0 479.044 3.975 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)C)cc2)C[C@H]1C ZINC001313931504 1071592556 /nfs/dbraw/zinc/59/25/56/1071592556.db2.gz FATPEZOROUPNHH-RLWLMLJZSA-N 1 0 471.646 3.685 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001315082297 1071591789 /nfs/dbraw/zinc/59/17/89/1071591789.db2.gz AWKIESNUFIOVMM-SIKLNZKXSA-N 1 0 473.593 3.506 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@H]2c2ccc(COC)o2)CC1 ZINC001313931342 1071591874 /nfs/dbraw/zinc/59/18/74/1071591874.db2.gz XYALSEZLNJEXTL-UNMCSNQZSA-N 1 0 458.651 3.584 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC2CCCC2)C[C@@H]1C ZINC001313931723 1071593316 /nfs/dbraw/zinc/59/33/16/1071593316.db2.gz HHGCBPBIVCQIRB-FQEVSTJZSA-N 1 0 488.702 3.696 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(F)cc(OC)c2)C[C@H]1C ZINC001313932277 1071594974 /nfs/dbraw/zinc/59/49/74/1071594974.db2.gz HUIXLMHFWSUTHB-CQSZACIVSA-N 1 0 477.382 3.762 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(F)c(F)c2F)C[C@@H]1C ZINC001313932547 1071595474 /nfs/dbraw/zinc/59/54/74/1071595474.db2.gz IHTBSALGUJSVKW-BXKMTCNYSA-N 1 0 481.563 3.509 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nc(C)c(C)s2)C[C@H]1C ZINC001313932709 1071596255 /nfs/dbraw/zinc/59/62/55/1071596255.db2.gz ITHBCICKSUXDQA-OAHLLOKOSA-N 1 0 456.616 3.614 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313934195 1071601091 /nfs/dbraw/zinc/60/10/91/1071601091.db2.gz QIQGCXRNLYHGEB-RTBURBONSA-N 1 0 472.634 3.740 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CC=CCO2)C[C@H]1C ZINC001313934322 1071602375 /nfs/dbraw/zinc/60/23/75/1071602375.db2.gz UCCGHAUZBOJYKM-SJLPKXTDSA-N 1 0 476.419 3.592 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCOC[C@@H]2C)C[C@@H]1C ZINC001313934503 1071602964 /nfs/dbraw/zinc/60/29/64/1071602964.db2.gz ASECRUFXBYQIQB-ONTIZHBOSA-N 1 0 471.646 3.944 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313936829 1071609643 /nfs/dbraw/zinc/60/96/43/1071609643.db2.gz IJQTZQOMSGROHU-SIKLNZKXSA-N 1 0 457.619 3.700 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccnc(C(F)(F)F)c2)C[C@H]1C ZINC001313935530 1071605918 /nfs/dbraw/zinc/60/59/18/1071605918.db2.gz XRGXFVFMUUGIAT-MRXNPFEDSA-N 1 0 460.504 3.946 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](Cc2ccccc2)OC)C[C@@H]1C ZINC001313936544 1071608558 /nfs/dbraw/zinc/60/85/58/1071608558.db2.gz PYVJIKQLBZWQKV-GHTZIAJQSA-N 1 0 455.006 3.782 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cnc(C)s2)C[C@@H]1C ZINC001313938694 1071612176 /nfs/dbraw/zinc/61/21/76/1071612176.db2.gz WQFOKUZUFSMHFP-KRWDZBQOSA-N 1 0 489.690 3.736 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313938682 1071612207 /nfs/dbraw/zinc/61/22/07/1071612207.db2.gz WHHAZLARMCEZEL-APWZRJJASA-N 1 0 464.010 3.769 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccc(F)c(Cl)c2)C[C@H]1C ZINC001313938989 1071612804 /nfs/dbraw/zinc/61/28/04/1071612804.db2.gz ZFVMEMSKXRUZIS-UZLBHIALSA-N 1 0 451.974 3.922 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccc(F)c(Cl)c2)C[C@H]1C ZINC001313940537 1071615639 /nfs/dbraw/zinc/61/56/39/1071615639.db2.gz NGONWNSLGBXMNI-QGZVFWFLSA-N 1 0 458.969 3.666 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CC[C@H](OC)C(F)(F)F)C[C@H]1C ZINC001313939415 1071613522 /nfs/dbraw/zinc/61/35/22/1071613522.db2.gz DKQJFIQXEGBWGD-BEFAXECRSA-N 1 0 450.509 3.924 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@]2(OC)CCOC2)C[C@@H]1C ZINC001313940014 1071614055 /nfs/dbraw/zinc/61/40/55/1071614055.db2.gz JQAWUGFAJZFDKG-NBGIEHNGSA-N 1 0 492.064 3.587 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)c2cccs2)C[C@@H]1C ZINC001313940110 1071614177 /nfs/dbraw/zinc/61/41/77/1071614177.db2.gz VMXMUXBYLMORPA-INIZCTEOSA-N 1 0 459.019 3.620 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313940342 1071614887 /nfs/dbraw/zinc/61/48/87/1071614887.db2.gz WCZGRACUBPUNFH-PMACEKPBSA-N 1 0 469.634 3.518 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCC(C)(C)O)C[C@@H]1C ZINC001313940522 1071615006 /nfs/dbraw/zinc/61/50/06/1071615006.db2.gz MYDRFENNPAOZRF-IBGZPJMESA-N 1 0 464.054 3.943 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313942801 1071621483 /nfs/dbraw/zinc/62/14/83/1071621483.db2.gz ODVCETRTRZBNTK-SFTDATJTSA-N 1 0 486.661 3.857 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCSC2)C[C@H]1C ZINC001313941192 1071616297 /nfs/dbraw/zinc/61/62/97/1071616297.db2.gz AHVKQQVNRTZVGT-SJORKVTESA-N 1 0 480.476 3.903 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313942070 1071618998 /nfs/dbraw/zinc/61/89/98/1071618998.db2.gz HIWLBRLGGXAYCM-ICSRJNTNSA-N 1 0 469.552 3.972 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313941959 1071619088 /nfs/dbraw/zinc/61/90/88/1071619088.db2.gz FRIPOHLGZCCAQJ-RTWAWAEBSA-N 1 0 486.661 3.918 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCCOCC(C)C)C[C@H]1C ZINC001313945302 1071626272 /nfs/dbraw/zinc/62/62/72/1071626272.db2.gz ZXVFMUJRNBATQU-OAQYLSRUSA-N 1 0 495.672 3.829 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CCC(C)C)C2)CC1 ZINC001313945895 1071627423 /nfs/dbraw/zinc/62/74/23/1071627423.db2.gz WZMCWMBNNNCQID-IRLDBZIGSA-N 1 0 458.626 3.820 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001313943443 1071622608 /nfs/dbraw/zinc/62/26/08/1071622608.db2.gz SIARAINFYFWXHR-GCJKJVERSA-N 1 0 469.584 3.760 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001313943445 1071623221 /nfs/dbraw/zinc/62/32/21/1071623221.db2.gz SIARAINFYFWXHR-XMSQKQJNSA-N 1 0 469.584 3.760 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCc2cnn(C)n2)C[C@@H]1C ZINC001313943998 1071624468 /nfs/dbraw/zinc/62/44/68/1071624468.db2.gz XVCUSTIOQJEZMC-NRFANRHFSA-N 1 0 480.661 3.581 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC)cc3C(F)(F)F)C2)CC1 ZINC001313944201 1071624552 /nfs/dbraw/zinc/62/45/52/1071624552.db2.gz YRZTXWMEGYNSHU-IBGZPJMESA-N 1 0 494.606 3.868 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001313946116 1071627922 /nfs/dbraw/zinc/62/79/22/1071627922.db2.gz NOSPKOZSBYAXFY-IBGZPJMESA-N 1 0 455.006 3.835 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313946689 1071629186 /nfs/dbraw/zinc/62/91/86/1071629186.db2.gz TYKAAXFHKLEUKT-UXHICEINSA-N 1 0 486.661 3.663 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CCCN2CCCCC2=O)C[C@H]1C ZINC001313946839 1071630375 /nfs/dbraw/zinc/63/03/75/1071630375.db2.gz CXRSKLLEZXSTBI-HXUWFJFHSA-N 1 0 486.686 3.512 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313947129 1071631060 /nfs/dbraw/zinc/63/10/60/1071631060.db2.gz FQWLIEIWGYJXGV-SFTDATJTSA-N 1 0 498.676 3.778 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccccc4OC)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313948769 1071633909 /nfs/dbraw/zinc/63/39/09/1071633909.db2.gz RONRTNTVGUDWBA-OFNKIYASSA-N 1 0 486.730 3.948 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccccc4OC)n3CC(C)(C)C(C)C)C2)CC1 ZINC001313947857 1071632837 /nfs/dbraw/zinc/63/28/37/1071632837.db2.gz CYGJKPFPLUSSOM-QHCPKHFHSA-N 1 0 468.690 3.776 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(CC(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CC2)C1=O ZINC001313947984 1071633302 /nfs/dbraw/zinc/63/33/02/1071633302.db2.gz OLJAABHVIMJIPN-OAQYLSRUSA-N 1 0 473.691 3.567 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CC(C)(C)c3cccc(F)c3)C2)CC1 ZINC001313948921 1071634543 /nfs/dbraw/zinc/63/45/43/1071634543.db2.gz USZDWEVJLLPDTL-HSZRJFAPSA-N 1 0 456.654 3.810 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001313950008 1071637656 /nfs/dbraw/zinc/63/76/56/1071637656.db2.gz SKMMPAHQSGRRQX-LJQANCHMSA-N 1 0 469.609 3.736 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(COc4cc(C)ccc4C)n3CC(C)(C)SC)C2)CC1 ZINC001313950496 1071638760 /nfs/dbraw/zinc/63/87/60/1071638760.db2.gz UGVQFBLAKXHBSD-QFIPXVFZSA-N 1 0 486.730 3.832 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2nccs2)CC1 ZINC001313951745 1071642997 /nfs/dbraw/zinc/64/29/97/1071642997.db2.gz VTYQTBYQXAXFKF-GOSISDBHSA-N 1 0 474.078 3.965 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001313952402 1071645747 /nfs/dbraw/zinc/64/57/47/1071645747.db2.gz FJYQLQBFKXIOKL-IBGZPJMESA-N 1 0 483.611 3.837 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001313952696 1071646529 /nfs/dbraw/zinc/64/65/29/1071646529.db2.gz UBUJEXVHFNAAES-ZJSXRUAMSA-N 1 0 472.653 3.895 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC=C(C)CC2)CC1 ZINC001313952953 1071647118 /nfs/dbraw/zinc/64/71/18/1071647118.db2.gz VIHUBOVCXFTNSR-YTFSRNRJSA-N 1 0 458.695 3.627 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001313953501 1071647684 /nfs/dbraw/zinc/64/76/84/1071647684.db2.gz HLSLHGCKVHJKLL-FCHUYYIVSA-N 1 0 454.663 3.996 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313953749 1071649549 /nfs/dbraw/zinc/64/95/49/1071649549.db2.gz KRASRCNWVWXCQY-IBGZPJMESA-N 1 0 492.590 3.926 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313954254 1071651250 /nfs/dbraw/zinc/65/12/50/1071651250.db2.gz MNBIMWHTIGEXQH-VWPQPMDRSA-N 1 0 490.643 3.921 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2nc3ccccc3s2)CC1 ZINC001313955931 1071656763 /nfs/dbraw/zinc/65/67/63/1071656763.db2.gz IZLSPASGEVNMNN-FQEVSTJZSA-N 1 0 469.703 3.996 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Br)cc3)nnc2N2CCSCC2)CC1 ZINC001313954646 1071652466 /nfs/dbraw/zinc/65/24/66/1071652466.db2.gz QKDRZVLWZMLPGP-UHFFFAOYSA-N 1 0 493.519 3.679 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCC3)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC001313954833 1071652942 /nfs/dbraw/zinc/65/29/42/1071652942.db2.gz QCXJQXBCQKDUGF-GDVWVFDVSA-N 1 0 486.730 3.754 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cccn3C)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313955011 1071653764 /nfs/dbraw/zinc/65/37/64/1071653764.db2.gz RQBOLYUUGQDCPA-UHFFFAOYSA-N 1 0 489.590 3.755 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001313955204 1071654785 /nfs/dbraw/zinc/65/47/85/1071654785.db2.gz QJNAHHRLOFCNST-OFNKIYASSA-N 1 0 472.653 3.609 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccn3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001313955477 1071655486 /nfs/dbraw/zinc/65/54/86/1071655486.db2.gz UUXAZASHOJWUPM-UHFFFAOYSA-N 1 0 469.584 3.672 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313958088 1071662459 /nfs/dbraw/zinc/66/24/59/1071662459.db2.gz TVWZPJATRNKEHW-KNQAVFIVSA-N 1 0 491.775 3.629 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001313956764 1071657891 /nfs/dbraw/zinc/65/78/91/1071657891.db2.gz KUMVMHCDUUCMNW-LEWJYISDSA-N 1 0 458.626 3.536 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)C)nnc2N2CCC(c3ccc(OC)cc3)CC2)CC1 ZINC001313956712 1071658025 /nfs/dbraw/zinc/65/80/25/1071658025.db2.gz KAXGTSDNWFGNME-UHFFFAOYSA-N 1 0 468.690 3.897 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccccc2Cl)CC1 ZINC001313956533 1071658166 /nfs/dbraw/zinc/65/81/66/1071658166.db2.gz HBFYOYUAQAERQK-UHFFFAOYSA-N 1 0 468.049 3.966 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001313957262 1071659987 /nfs/dbraw/zinc/65/99/87/1071659987.db2.gz QCJIZCJSYSMEKL-SIKLNZKXSA-N 1 0 484.718 3.672 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc4c(c3)OCCO4)nnc2N(CC(C)C)C(C)C)CC1 ZINC001313957394 1071660086 /nfs/dbraw/zinc/66/00/86/1071660086.db2.gz FIHWWHJEHMQULD-UHFFFAOYSA-N 1 0 470.662 3.615 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313957920 1071661819 /nfs/dbraw/zinc/66/18/19/1071661819.db2.gz SBVSDERGOUVAIU-SMIHKQSGSA-N 1 0 482.717 3.828 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001313958037 1071662993 /nfs/dbraw/zinc/66/29/93/1071662993.db2.gz NRCMNJDHYJGHNJ-UHFFFAOYSA-N 1 0 452.603 3.519 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001313958123 1071663148 /nfs/dbraw/zinc/66/31/48/1071663148.db2.gz UJKFYMMGUXXZTH-RJGXRXQPSA-N 1 0 486.730 3.769 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313958473 1071664170 /nfs/dbraw/zinc/66/41/70/1071664170.db2.gz XCIKGDCSGURNBY-NTKDMRAZSA-N 1 0 459.708 3.534 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001313958928 1071665018 /nfs/dbraw/zinc/66/50/18/1071665018.db2.gz YVKWRMLIGBOFMX-YTFSRNRJSA-N 1 0 486.730 3.769 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3C)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001313960182 1071669234 /nfs/dbraw/zinc/66/92/34/1071669234.db2.gz FQEICYLWYFODFK-FCHUYYIVSA-N 1 0 456.704 3.535 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@H](C)[C@H]2C)CC1 ZINC001313960792 1071671179 /nfs/dbraw/zinc/67/11/79/1071671179.db2.gz MPWLMDKGRNCHST-XZOQPEGZSA-N 1 0 454.663 3.736 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001313961081 1071671564 /nfs/dbraw/zinc/67/15/64/1071671564.db2.gz QBZGGNSBVXGFCI-NHCUHLMSSA-N 1 0 458.626 3.506 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)ccc3C)nnc2N2CC[C@H](C(C)C)C2)CC1 ZINC001313961946 1071673810 /nfs/dbraw/zinc/67/38/10/1071673810.db2.gz ZYFIUGKZRLTBLC-DEOSSOPVSA-N 1 0 468.690 3.984 20 0 JHADRO CCn1nc(-c2nnc(N(CC(C)C)C(C)C)n2CC[NH+]2CCSCC2)c2ccccc2c1=O ZINC001313962559 1071675533 /nfs/dbraw/zinc/67/55/33/1071675533.db2.gz LZJDRKGFKPIEAP-UHFFFAOYSA-N 1 0 483.686 3.595 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313977294 1071710307 /nfs/dbraw/zinc/71/03/07/1071710307.db2.gz LLCPLEIIVBLGEA-LJQANCHMSA-N 1 0 458.676 3.572 20 0 JHADRO CCNC(=O)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC001313982587 1071719295 /nfs/dbraw/zinc/71/92/95/1071719295.db2.gz CAUSMVLJHVUZON-DEOSSOPVSA-N 1 0 482.673 3.874 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001313993225 1071727386 /nfs/dbraw/zinc/72/73/86/1071727386.db2.gz HKVPNXJERGIEDA-UHFFFAOYSA-N 1 0 492.672 3.772 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001313993783 1071728230 /nfs/dbraw/zinc/72/82/30/1071728230.db2.gz NWGYKTFURBXTJA-DHIUTWEWSA-N 1 0 467.662 3.546 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001313994330 1071728727 /nfs/dbraw/zinc/72/87/27/1071728727.db2.gz LKXUATOXZZFUET-FQEVSTJZSA-N 1 0 488.061 3.814 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001313994478 1071730053 /nfs/dbraw/zinc/73/00/53/1071730053.db2.gz WJVUZJJMBDRHNR-LADGPHEKSA-N 1 0 481.689 3.936 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001313996110 1071732618 /nfs/dbraw/zinc/73/26/18/1071732618.db2.gz JQQLIXGENAZCEK-JOCHJYFZSA-N 1 0 497.688 3.706 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001313995412 1071731661 /nfs/dbraw/zinc/73/16/61/1071731661.db2.gz CVPQGCQDFODVQF-QFIPXVFZSA-N 1 0 497.688 3.563 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2C[NH+](CC)CC)CC1 ZINC001314000560 1071738290 /nfs/dbraw/zinc/73/82/90/1071738290.db2.gz MANUJAYJHUDOIW-UHFFFAOYSA-N 1 0 481.689 3.752 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001314016367 1071759690 /nfs/dbraw/zinc/75/96/90/1071759690.db2.gz IMDWBTPFLVVJQS-UHFFFAOYSA-N 1 0 475.037 3.999 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001314016234 1071759752 /nfs/dbraw/zinc/75/97/52/1071759752.db2.gz NLIKVUCGSPUXRJ-GOSISDBHSA-N 1 0 472.609 3.548 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001314017710 1071763599 /nfs/dbraw/zinc/76/35/99/1071763599.db2.gz WGJWEDONFIQNEV-VLCRHTCISA-N 1 0 490.693 3.737 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001314019417 1071768343 /nfs/dbraw/zinc/76/83/43/1071768343.db2.gz YABZSHRVXYRQKF-UHFFFAOYSA-N 1 0 474.675 3.862 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001314022525 1071776448 /nfs/dbraw/zinc/77/64/48/1071776448.db2.gz BSQJUYIOFSRBCQ-UHFFFAOYSA-N 1 0 484.645 3.627 20 0 JHADRO 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CCc1ccccc1NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001305975409 1068312852 /nfs/dbraw/zinc/31/28/52/1068312852.db2.gz WPKCAVUCVOKTHU-RUZDIDTESA-N 1 0 495.716 3.845 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCC(C(=O)OC)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001305979631 1068322214 /nfs/dbraw/zinc/32/22/14/1068322214.db2.gz PWRCTKGUCIFZJO-QHCPKHFHSA-N 1 0 483.657 3.929 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@]1(C)COCCO1 ZINC001305982454 1068327498 /nfs/dbraw/zinc/32/74/98/1068327498.db2.gz GWHXZDODBALWCL-HHHXNRCGSA-N 1 0 485.673 3.782 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001305985471 1068335322 /nfs/dbraw/zinc/33/53/22/1068335322.db2.gz KALLPYJHDUECGP-GMAHTHKFSA-N 1 0 455.647 3.870 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCS(=O)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001305988429 1068345587 /nfs/dbraw/zinc/34/55/87/1068345587.db2.gz AHHJOQUTYOZWFW-OAQYLSRUSA-N 1 0 473.687 3.643 20 0 JHADRO CCc1cnc(CN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC001305994737 1068356971 /nfs/dbraw/zinc/35/69/71/1068356971.db2.gz AHUIMSTYADXCLA-OALUTQOASA-N 1 0 483.686 3.807 20 0 JHADRO CCc1cnc(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)s1 ZINC001305996685 1068362338 /nfs/dbraw/zinc/36/23/38/1068362338.db2.gz HHMHAWWQBZUQDN-INIZCTEOSA-N 1 0 461.035 3.823 20 0 JHADRO CCc1csc([C@H]2CCCN(c3nnc(CC(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)C2)n1 ZINC001305999878 1068368887 /nfs/dbraw/zinc/36/88/87/1068368887.db2.gz GLNGUJMGHXLKQN-FQEVSTJZSA-N 1 0 473.735 3.906 20 0 JHADRO CCc1nc(C)c(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)o1 ZINC001306004426 1068380785 /nfs/dbraw/zinc/38/07/85/1068380785.db2.gz LOKHUNSQFAOFTB-HNNXBMFYSA-N 1 0 476.984 3.802 20 0 JHADRO CCc1nc(C)c([C@@H](C)N(C)c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCC2)s1 ZINC001306005487 1068383645 /nfs/dbraw/zinc/38/36/45/1068383645.db2.gz SFDKYWPQOBHMIG-QGZVFWFLSA-N 1 0 482.658 3.934 20 0 JHADRO CCc1nc(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC([NH+](CC)CC)CC2)no1 ZINC001306019359 1068408776 /nfs/dbraw/zinc/40/87/76/1068408776.db2.gz HQOINPJHGXPGNL-UHFFFAOYSA-N 1 0 473.572 3.646 20 0 JHADRO CCc1nc(CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)no1 ZINC001306026274 1068420948 /nfs/dbraw/zinc/42/09/48/1068420948.db2.gz SCYDLKRWQALIMB-UHFFFAOYSA-N 1 0 481.645 3.973 20 0 JHADRO CCc1nc(CN2CCN(c3nnc(CC)n3C[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC001306041523 1068456586 /nfs/dbraw/zinc/45/65/86/1068456586.db2.gz SGBSHKAUCLTAHX-HXUWFJFHSA-N 1 0 467.687 3.702 20 0 JHADRO CCc1nn(C)c(OC)c1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001306050898 1068482871 /nfs/dbraw/zinc/48/28/71/1068482871.db2.gz VSYQIWKBQHUYJR-UHFFFAOYSA-N 1 0 495.672 3.863 20 0 JHADRO CCc1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306069451 1068505160 /nfs/dbraw/zinc/50/51/60/1068505160.db2.gz VONSYOSHIMBDKW-FUPPJEDESA-N 1 0 454.663 3.834 20 0 JHADRO CCc1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306073915 1068507463 /nfs/dbraw/zinc/50/74/63/1068507463.db2.gz AXRWFDNIUDFQEP-BGYRXZFFSA-N 1 0 452.647 3.737 20 0 JHADRO CCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)Oc1ccccc1OC ZINC001306092987 1068516380 /nfs/dbraw/zinc/51/63/80/1068516380.db2.gz UUFSNDFGVGODKY-ZYLNGJIFSA-N 1 0 481.645 3.569 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001306121321 1068529984 /nfs/dbraw/zinc/52/99/84/1068529984.db2.gz XCWCEMNEQPJPFR-DEOSSOPVSA-N 1 0 466.674 3.946 20 0 JHADRO CCc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001306121385 1068530044 /nfs/dbraw/zinc/53/00/44/1068530044.db2.gz JYLOMMVAYFJBPL-NQIIRXRSSA-N 1 0 457.516 3.812 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306141368 1068542856 /nfs/dbraw/zinc/54/28/56/1068542856.db2.gz FWFPZQVPNGQHTC-FQRUVTKNSA-N 1 0 452.647 3.750 20 0 JHADRO CCc1nnc(N2CCC(Nc3ccccc3Cl)CC2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001306143336 1068545494 /nfs/dbraw/zinc/54/54/94/1068545494.db2.gz GASOBFXIOVLBBV-UHFFFAOYSA-N 1 0 474.097 3.993 20 0 JHADRO CCc1nnc(N2CC[C@H](Oc3ccccc3Cl)C2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001306148523 1068550680 /nfs/dbraw/zinc/55/06/80/1068550680.db2.gz UOVRCQFOYBRJSR-FQEVSTJZSA-N 1 0 461.054 3.569 20 0 JHADRO CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001306148878 1068551094 /nfs/dbraw/zinc/55/10/94/1068551094.db2.gz KAQUEQPSTBKYRQ-UHFFFAOYSA-N 1 0 481.563 3.911 20 0 JHADRO CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1ccccc1C(F)(F)F ZINC001306148627 1068551120 /nfs/dbraw/zinc/55/11/20/1068551120.db2.gz IXGXPNVNRSLRHN-UHFFFAOYSA-N 1 0 451.537 3.989 20 0 JHADRO CCc1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001306153441 1068552937 /nfs/dbraw/zinc/55/29/37/1068552937.db2.gz KWWYQVZEOUYNPZ-IBGZPJMESA-N 1 0 455.647 3.973 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001306155666 1068554132 /nfs/dbraw/zinc/55/41/32/1068554132.db2.gz AZPAZWKDEIBTEW-LEWJYISDSA-N 1 0 453.635 3.664 20 0 JHADRO CCc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001306160931 1068556804 /nfs/dbraw/zinc/55/68/04/1068556804.db2.gz CPYOOACEYJBUMW-HNNXBMFYSA-N 1 0 472.581 3.547 20 0 JHADRO CCc1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001306161287 1068557277 /nfs/dbraw/zinc/55/72/77/1068557277.db2.gz IFXOGSZJZIRDMB-PZJWPPBQSA-N 1 0 487.718 3.747 20 0 JHADRO CCc1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001306162483 1068558038 /nfs/dbraw/zinc/55/80/38/1068558038.db2.gz RHHXJFOVEHPIGK-HXUWFJFHSA-N 1 0 467.618 3.720 20 0 JHADRO CCc1nnc(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)n1CC[N@@H+](C)[C@H](C)CC ZINC001306165800 1068561712 /nfs/dbraw/zinc/56/17/12/1068561712.db2.gz KKEOGTHXNBBYLS-NHCUHLMSSA-N 1 0 455.651 3.917 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001306179324 1068569226 /nfs/dbraw/zinc/56/92/26/1068569226.db2.gz JQERCYMNNGXBNU-OAQYLSRUSA-N 1 0 461.054 3.823 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306180192 1068571067 /nfs/dbraw/zinc/57/10/67/1068571067.db2.gz QULGZDWQBKFXMR-UXHICEINSA-N 1 0 473.065 3.967 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001306180664 1068571826 /nfs/dbraw/zinc/57/18/26/1068571826.db2.gz WPPJTRHIMKSJBN-UHFFFAOYSA-N 1 0 458.626 3.841 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1c(C)sc(C)c1Br ZINC001306183543 1068573633 /nfs/dbraw/zinc/57/36/33/1068573633.db2.gz DJTZTPMWFWMOLY-KRWDZBQOSA-N 1 0 482.492 3.878 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3cc(C)oc3C)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001306183620 1068574295 /nfs/dbraw/zinc/57/42/95/1068574295.db2.gz HDKFHYBUWMIQQY-FQEVSTJZSA-N 1 0 478.641 3.923 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001306184353 1068574705 /nfs/dbraw/zinc/57/47/05/1068574705.db2.gz AVBZDWAUTDHKPC-HXUWFJFHSA-N 1 0 458.676 3.683 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306185922 1068576950 /nfs/dbraw/zinc/57/69/50/1068576950.db2.gz VJZNSJASUUQEPQ-SFTDATJTSA-N 1 0 470.637 3.700 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306186128 1068577498 /nfs/dbraw/zinc/57/74/98/1068577498.db2.gz PFSDWPVNBZTCMJ-CLOONOSVSA-N 1 0 473.065 3.967 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001306186314 1068577587 /nfs/dbraw/zinc/57/75/87/1068577587.db2.gz ZDRPNECXXKOPBJ-UHFFFAOYSA-N 1 0 452.647 3.623 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001306186481 1068578042 /nfs/dbraw/zinc/57/80/42/1068578042.db2.gz QRRXAXXDJKRKFD-SFHVURJKSA-N 1 0 458.676 3.683 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001306188733 1068581214 /nfs/dbraw/zinc/58/12/14/1068581214.db2.gz 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CCCC(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)C1 ZINC001306507738 1069093636 /nfs/dbraw/zinc/09/36/36/1069093636.db2.gz UQJVKIXDFHVZGT-JOCHJYFZSA-N 1 0 488.721 3.787 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001306509026 1069097669 /nfs/dbraw/zinc/09/76/69/1069097669.db2.gz KAXGPCYDAHYKLT-UHFFFAOYSA-N 1 0 450.631 3.655 20 0 JHADRO CCc1c(NC(=O)N2CC[NH+](C3CCOCC3)CC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001310680514 1069106574 /nfs/dbraw/zinc/10/65/74/1069106574.db2.gz KIGPHJBTLYZQKB-UHFFFAOYSA-N 1 0 451.493 3.782 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001306513088 1069110549 /nfs/dbraw/zinc/11/05/49/1069110549.db2.gz UDQWFEDUKZFDJK-UHFFFAOYSA-N 1 0 474.694 3.710 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(CC)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)CC1 ZINC001306513235 1069111010 /nfs/dbraw/zinc/11/10/10/1069111010.db2.gz UTBFXFFGKDLYOC-HSZRJFAPSA-N 1 0 468.646 3.571 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(CC)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)CC1 ZINC001306513237 1069111236 /nfs/dbraw/zinc/11/12/36/1069111236.db2.gz UTBFXFFGKDLYOC-QHCPKHFHSA-N 1 0 468.646 3.571 20 0 JHADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)Nc3cc([C@H]4CCCO4)nn3C)cc2)C[C@H]1C ZINC001310687007 1069111454 /nfs/dbraw/zinc/11/14/54/1069111454.db2.gz YGEYAUFFTJKICY-SELNLUPBSA-N 1 0 455.603 3.602 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001306513459 1069112497 /nfs/dbraw/zinc/11/24/97/1069112497.db2.gz XXJDCYDZIPISMM-JOCHJYFZSA-N 1 0 481.670 3.513 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001306518380 1069132561 /nfs/dbraw/zinc/13/25/61/1069132561.db2.gz RPRWQOMLQGCQDL-FQEVSTJZSA-N 1 0 455.651 3.670 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001306519134 1069136040 /nfs/dbraw/zinc/13/60/40/1069136040.db2.gz WJMIMFKUMUUXEV-FYYLOGMGSA-N 1 0 467.662 3.593 20 0 JHADRO Cc1c(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)nnn1CCOc1ccc(F)cc1 ZINC001310724998 1069136856 /nfs/dbraw/zinc/13/68/56/1069136856.db2.gz BUESQVZPJSMHNN-OAQYLSRUSA-N 1 0 452.534 3.591 20 0 JHADRO C[C@@H]1CN(C(=O)Nc2cc(N3CCOCC3)ccc2Br)CC[N@@H+](C2CCC2)C1 ZINC001310743022 1069145740 /nfs/dbraw/zinc/14/57/40/1069145740.db2.gz GRNHINQTQLOURW-INIZCTEOSA-N 1 0 451.409 3.624 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001306522393 1069147059 /nfs/dbraw/zinc/14/70/59/1069147059.db2.gz NEKOEHHMGDOIEJ-HLAWJBBLSA-N 1 0 474.675 3.627 20 0 JHADRO CCC[C@](C)(O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001306526395 1069155133 /nfs/dbraw/zinc/15/51/33/1069155133.db2.gz JUHKWUMYHDQVHJ-DXBVXKBHSA-N 1 0 468.690 3.587 20 0 JHADRO COC(=O)c1cnn(C)c1NC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001310771005 1069156002 /nfs/dbraw/zinc/15/60/02/1069156002.db2.gz CQVSNNUPBBWOGB-JOCHJYFZSA-N 1 0 453.587 3.895 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001306531691 1069172419 /nfs/dbraw/zinc/17/24/19/1069172419.db2.gz UGOYRENKYJWCGS-VWLOTQADSA-N 1 0 457.619 3.578 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001306531977 1069172921 /nfs/dbraw/zinc/17/29/21/1069172921.db2.gz KSNZIFSPBSNNNT-OBTVHEKISA-N 1 0 468.690 3.799 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001306531928 1069173002 /nfs/dbraw/zinc/17/30/02/1069173002.db2.gz VHYMHVTXBPKSPJ-RUZDIDTESA-N 1 0 457.619 3.783 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001306532999 1069175491 /nfs/dbraw/zinc/17/54/91/1069175491.db2.gz RTRPLLSKDKJJGF-VWLOTQADSA-N 1 0 486.064 3.947 20 0 JHADRO CCC[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001306534832 1069178687 /nfs/dbraw/zinc/17/86/87/1069178687.db2.gz HPDZTQMCWFKYPU-SQJMNOBHSA-N 1 0 459.610 3.575 20 0 JHADRO CC(=O)N1CCN(c2cccc(NC(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)c2C)C1=O ZINC001310853259 1069194488 /nfs/dbraw/zinc/19/44/88/1069194488.db2.gz PDLXSAXGIXELGZ-NRFANRHFSA-N 1 0 455.603 3.759 20 0 JHADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3cnn(Cc4ccc(Br)cc4Cl)c3)[C@@H]2C1 ZINC001310855004 1069195507 /nfs/dbraw/zinc/19/55/07/1069195507.db2.gz DMSXRBHHIMISBU-KBXCAEBGSA-N 1 0 452.784 3.905 20 0 JHADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(Br)c1I ZINC001310929388 1069224767 /nfs/dbraw/zinc/22/47/67/1069224767.db2.gz VWLMGDVNVSSTQK-SNVBAGLBSA-N 1 0 454.150 3.906 20 0 JHADRO COc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1S(C)(=O)=O ZINC001310879470 1069206283 /nfs/dbraw/zinc/20/62/83/1069206283.db2.gz HFYWAWXFBKFZCC-HMXCVIKNSA-N 1 0 457.596 3.521 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c1ccc(F)cc1 ZINC001310881992 1069208100 /nfs/dbraw/zinc/20/81/00/1069208100.db2.gz QVLWKGANMOEMKO-CVEARBPZSA-N 1 0 450.477 3.573 20 0 JHADRO COC(=O)[C@@H]1CCc2sc(NC(=O)NCc3cccc(C[NH+]4CCC(C)CC4)c3)nc2C1 ZINC001310901939 1069215264 /nfs/dbraw/zinc/21/52/64/1069215264.db2.gz BVRLYEYHNJBGLN-LJQANCHMSA-N 1 0 456.612 3.975 20 0 JHADRO C[C@H](NC(=O)NCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC001310909728 1069218652 /nfs/dbraw/zinc/21/86/52/1069218652.db2.gz BYCHPJUPSSTALU-INIZCTEOSA-N 1 0 458.525 3.796 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001306558895 1069228780 /nfs/dbraw/zinc/22/87/80/1069228780.db2.gz IUUFALXEQBQNOH-UNMCSNQZSA-N 1 0 471.646 3.946 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)[C@H](C)C1 ZINC001306559565 1069230160 /nfs/dbraw/zinc/23/01/60/1069230160.db2.gz CTIQRAPORYRWCW-YKSBVNFPSA-N 1 0 450.583 3.780 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306564345 1069232508 /nfs/dbraw/zinc/23/25/08/1069232508.db2.gz BTOXHGCPTFAARV-IBGZPJMESA-N 1 0 481.645 3.702 20 0 JHADRO Cc1ccccc1-n1ncc(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c1C(F)F ZINC001310954489 1069232869 /nfs/dbraw/zinc/23/28/69/1069232869.db2.gz YGVWOAOZOKQGIO-UHFFFAOYSA-N 1 0 455.513 3.587 20 0 JHADRO O=C(NCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001310963270 1069234998 /nfs/dbraw/zinc/23/49/98/1069234998.db2.gz YSUFFRUYBBQWIS-UHFFFAOYSA-N 1 0 452.580 3.682 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCOCC1 ZINC001306567761 1069235176 /nfs/dbraw/zinc/23/51/76/1069235176.db2.gz NXRDYNDOJBNXGZ-OAHLLOKOSA-N 1 0 453.429 3.771 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001306572371 1069240048 /nfs/dbraw/zinc/24/00/48/1069240048.db2.gz BVUMTSBQEPDRNW-UWJYYQICSA-N 1 0 465.631 3.910 20 0 JHADRO CC(C)CCc1nnc(NC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)s1 ZINC001310992306 1069243407 /nfs/dbraw/zinc/24/34/07/1069243407.db2.gz XVQHEXJMMIHJDM-IBGZPJMESA-N 1 0 457.648 3.588 20 0 JHADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001306584566 1069250448 /nfs/dbraw/zinc/25/04/48/1069250448.db2.gz IEBCVRMFUODXNE-FDFHNCONSA-N 1 0 474.694 3.568 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1 ZINC001311034948 1069252476 /nfs/dbraw/zinc/25/24/76/1069252476.db2.gz ADNFXDMMKWMYHE-QUCCMNQESA-N 1 0 455.603 3.850 20 0 JHADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001306587900 1069255814 /nfs/dbraw/zinc/25/58/14/1069255814.db2.gz YRYXUYAXEKJRDB-BVSLBCMMSA-N 1 0 467.662 3.654 20 0 JHADRO C[NH+](C)CC1(NC(=O)Nc2cc(Br)cc(I)c2)CCC1 ZINC001311051633 1069258754 /nfs/dbraw/zinc/25/87/54/1069258754.db2.gz UPEWZJKAPLPHGT-UHFFFAOYSA-N 1 0 452.134 3.660 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC001311107258 1069275069 /nfs/dbraw/zinc/27/50/69/1069275069.db2.gz WHZWWPHMNVWVLU-YUXAGFNASA-N 1 0 458.603 3.643 20 0 JHADRO CCCc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)o1 ZINC001306612478 1069290721 /nfs/dbraw/zinc/29/07/21/1069290721.db2.gz QZNGFWIGNVNDMV-KNQAVFIVSA-N 1 0 499.704 3.543 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001306616450 1069297435 /nfs/dbraw/zinc/29/74/35/1069297435.db2.gz GRNWCQWAEMKHDQ-OAQYLSRUSA-N 1 0 492.615 3.578 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)OC)CC[N@@H+]1CCOC ZINC001306616565 1069298378 /nfs/dbraw/zinc/29/83/78/1069298378.db2.gz IDKZXJMOKWEKMR-FUHWJXTLSA-N 1 0 498.441 3.819 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2snnc2C)CC[N@@H+]1CCOC ZINC001306617805 1069300263 /nfs/dbraw/zinc/30/02/63/1069300263.db2.gz BLRPVACRBONROF-KRWDZBQOSA-N 1 0 494.040 3.883 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCCCC2)CCO1 ZINC001306618469 1069301721 /nfs/dbraw/zinc/30/17/21/1069301721.db2.gz SHGLSHVFCXMRHF-LJQANCHMSA-N 1 0 479.467 3.927 20 0 JHADRO CCOc1nc2cc(NC(=O)NC3CC[NH+](Cc4ccc(NC(C)=O)cc4)CC3)ccc2o1 ZINC001311222957 1069301712 /nfs/dbraw/zinc/30/17/12/1069301712.db2.gz ZMCPZPBBIDGXDT-UHFFFAOYSA-N 1 0 451.527 3.971 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001306618617 1069302160 /nfs/dbraw/zinc/30/21/60/1069302160.db2.gz GFYBWFQBGPKEBC-YWEHKCAJSA-N 1 0 499.700 3.985 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001306619467 1069303685 /nfs/dbraw/zinc/30/36/85/1069303685.db2.gz BEZMDFMMCLLAOS-UGKGYDQZSA-N 1 0 467.593 3.615 20 0 JHADRO CCC[C@H]1CN(c2nnc(C(C)C)n2Cc2cccc3c2OCCCO3)CC[N@@H+]1CCOC ZINC001306620360 1069306711 /nfs/dbraw/zinc/30/67/11/1069306711.db2.gz YIQOOWIVZSSJSS-NRFANRHFSA-N 1 0 457.619 3.548 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001306621168 1069307896 /nfs/dbraw/zinc/30/78/96/1069307896.db2.gz WEYMETXRXIRRQD-HXUWFJFHSA-N 1 0 492.462 3.824 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCO2)CC[N@@H+]1CCOC ZINC001306621067 1069308033 /nfs/dbraw/zinc/30/80/33/1069308033.db2.gz VVRFZQVMKYGZGB-IAGOWNOFSA-N 1 0 498.491 3.885 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC)cc2)CC[N@@H+]1CCOC ZINC001306620858 1069308367 /nfs/dbraw/zinc/30/83/67/1069308367.db2.gz SJGIUOQSZNSXAP-NRFANRHFSA-N 1 0 453.587 3.841 20 0 JHADRO CC(C)(C)OCc1cccc(NC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)c1 ZINC001311254310 1069308831 /nfs/dbraw/zinc/30/88/31/1069308831.db2.gz BPPDDZZDECHXCE-GOTSBHOMSA-N 1 0 450.583 3.722 20 0 JHADRO c1ccc(SCc2nc3sc4c(c3c(N3CCN5CC[NH2+]C[C@H]5C3)n2)CCCC4)cc1 ZINC001164402849 718839638 /nfs/dbraw/zinc/83/96/38/718839638.db2.gz HXIVANPOABMPSH-KRWDZBQOSA-N 1 0 451.665 3.956 20 0 JHADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@H]3C2)cc1 ZINC001164406434 718863612 /nfs/dbraw/zinc/86/36/12/718863612.db2.gz GQYSIELEPQRHFZ-YJBOKZPZSA-N 1 0 451.901 3.548 20 0 JHADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164432345 718970946 /nfs/dbraw/zinc/97/09/46/718970946.db2.gz GMOVPELIMANZSZ-OALUTQOASA-N 1 0 490.860 3.863 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164615644 719008084 /nfs/dbraw/zinc/00/80/84/719008084.db2.gz JLMIEFVEGOAVKC-PGRDOPGGSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@H]3C4(CC[C@@]3(C(=O)OCC)C2)CC[NH2+]CC4)c(Cl)n1 ZINC001164618219 719009781 /nfs/dbraw/zinc/00/97/81/719009781.db2.gz REUCOTPDJBTYJH-HTAPYJJXSA-N 1 0 485.959 3.606 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164616055 719011182 /nfs/dbraw/zinc/01/11/82/719011182.db2.gz KHGNJFCGQJZOCR-IIBYNOLFSA-N 1 0 486.947 3.521 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164617378 719011429 /nfs/dbraw/zinc/01/14/29/719011429.db2.gz NSOPPLHNROLCFC-HRAATJIYSA-N 1 0 486.947 3.521 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001164618701 719011841 /nfs/dbraw/zinc/01/18/41/719011841.db2.gz SHTKRDJFCCPPKX-RBZFPXEDSA-N 1 0 485.988 3.520 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc3c1CCC3)C2 ZINC001164618894 719011955 /nfs/dbraw/zinc/01/19/55/719011955.db2.gz UMLNLRJPZUQBIS-PGRDOPGGSA-N 1 0 453.961 3.918 20 0 JHADRO CCOC(=O)[C@]12C[C@H]1CCN2c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001164619313 719040983 /nfs/dbraw/zinc/04/09/83/719040983.db2.gz CMRUVGACTGIODE-DWXRJYCRSA-N 1 0 481.980 3.929 20 0 JHADRO c1ccc([C@H]2C[NH2+]C[C@@]23CCN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164623047 719047729 /nfs/dbraw/zinc/04/77/29/719047729.db2.gz LNOADRVVQIPWHJ-JIPXPUAJSA-N 1 0 475.662 3.596 20 0 JHADRO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(N3CCN(c4ccccc4)CC3)nn2)cc1 ZINC001164629438 719098067 /nfs/dbraw/zinc/09/80/67/719098067.db2.gz SCATZNVGPKMOOQ-AHWVRZQESA-N 1 0 454.622 3.904 20 0 JHADRO Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@H]3O2)n1 ZINC001164649014 719301851 /nfs/dbraw/zinc/30/18/51/719301851.db2.gz GMXWAZJFJXUQQA-FHLIZLRMSA-N 1 0 451.905 3.705 20 0 JHADRO O=C(CC1CC1)N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@@H]12 ZINC001164652596 719324401 /nfs/dbraw/zinc/32/44/01/719324401.db2.gz CLUAJMYCKKADSQ-KSCKTEMCSA-N 1 0 460.622 3.540 20 0 JHADRO O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C[C@@H]2CCCO[C@@H]12 ZINC001164655936 719326904 /nfs/dbraw/zinc/32/69/04/719326904.db2.gz RWQWWRXLIPFPRT-UCNVEGJOSA-N 1 0 480.987 3.557 20 0 JHADRO COc1ccc2cnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc2c1 ZINC001164681436 719663975 /nfs/dbraw/zinc/66/39/75/719663975.db2.gz OUNILZKGRADDGJ-NRFANRHFSA-N 1 0 473.621 3.732 20 0 JHADRO CCOC(=O)c1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1C ZINC001164681606 719671318 /nfs/dbraw/zinc/67/13/18/719671318.db2.gz NLZFIPYTCVSGKB-OAQYLSRUSA-N 1 0 478.637 3.660 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc4nc[nH]c4cc3Cl)CC2)c2ccccc21 ZINC001164685532 719672458 /nfs/dbraw/zinc/67/24/58/719672458.db2.gz VHBYCOVUVLAZCW-QGZVFWFLSA-N 1 0 467.017 3.705 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cncc(N4CCCCC4)n3)CC2)c2ccccc21 ZINC001164680514 719674532 /nfs/dbraw/zinc/67/45/32/719674532.db2.gz GWBDVIVJKWIXDW-JOCHJYFZSA-N 1 0 476.669 3.560 20 0 JHADRO CC1CCN(c2ccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nn2)CC1 ZINC001164680882 719677574 /nfs/dbraw/zinc/67/75/74/719677574.db2.gz IKNOLFXLYBRLAQ-HSZRJFAPSA-N 1 0 490.696 3.806 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccnc(-c4nccs4)n3)CC2)c2ccccc21 ZINC001164687723 719682754 /nfs/dbraw/zinc/68/27/54/719682754.db2.gz URMYYKYLWYNKRT-LJQANCHMSA-N 1 0 476.650 3.694 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164690105 719739130 /nfs/dbraw/zinc/73/91/30/719739130.db2.gz SSPQXZXYRMLQCA-UHFFFAOYSA-N 1 0 496.725 3.737 20 0 JHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4ccsc4c(N4CCOCC4)n2)CC3)cs1 ZINC001164692242 719805471 /nfs/dbraw/zinc/80/54/71/719805471.db2.gz MDMQNSZRGRVIMB-UHFFFAOYSA-N 1 0 470.668 3.928 20 0 JHADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164696183 719896474 /nfs/dbraw/zinc/89/64/74/719896474.db2.gz ATCKSOZFTNIAJY-PLNGDYQASA-N 1 0 452.580 3.682 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)C2 ZINC001164814269 720086936 /nfs/dbraw/zinc/08/69/36/720086936.db2.gz WKLBCPZLBOSFBA-BKMJKUGQSA-N 1 0 469.029 3.850 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3cc(C(=O)OC)ccc3nc1Cl)CC2 ZINC001164712547 720097534 /nfs/dbraw/zinc/09/75/34/720097534.db2.gz WYOSYKJBOOSYLU-FQEVSTJZSA-N 1 0 496.011 3.972 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)CC2 ZINC001164716335 720109553 /nfs/dbraw/zinc/10/95/53/720109553.db2.gz KHRAQLOBFPDFHG-LJQANCHMSA-N 1 0 494.970 3.969 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc(C(=O)OC)ccc31)CC2 ZINC001164719087 720112159 /nfs/dbraw/zinc/11/21/59/720112159.db2.gz VSFNGVKFULGLES-QHCPKHFHSA-N 1 0 460.578 3.924 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2 ZINC001164718539 720113777 /nfs/dbraw/zinc/11/37/77/720113777.db2.gz RWQZUUGAPAVWPF-SANMLTNESA-N 1 0 498.675 3.937 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164712155 720134563 /nfs/dbraw/zinc/13/45/63/720134563.db2.gz KOLTUQBSPUBHNC-MRXNPFEDSA-N 1 0 469.989 3.866 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)C2 ZINC001164819040 720148793 /nfs/dbraw/zinc/14/87/93/720148793.db2.gz VQOXPSVUJWWCFL-IERDGZPVSA-N 1 0 452.933 3.893 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164818767 720160227 /nfs/dbraw/zinc/16/02/27/720160227.db2.gz UOFZTYLWOBOZBO-GCJKJVERSA-N 1 0 463.960 3.922 20 0 JHADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164717600 720189733 /nfs/dbraw/zinc/18/97/33/720189733.db2.gz VALMXYQDKAVVDP-SFHVURJKSA-N 1 0 491.423 3.895 20 0 JHADRO Cn1nnc2c1CCN(c1ncc(OCc3ccccc3)cc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164717747 720193741 /nfs/dbraw/zinc/19/37/41/720193741.db2.gz WRKBWTNUJLQMJP-QHCPKHFHSA-N 1 0 483.016 3.659 20 0 JHADRO Cn1nnc2c1CCN(c1ccc(-c3cccc4ccccc43)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713325 720200583 /nfs/dbraw/zinc/20/05/83/720200583.db2.gz BCWPUGAGBOFNGQ-VWLOTQADSA-N 1 0 469.593 3.642 20 0 JHADRO Cn1nnc2c1CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713243 720202962 /nfs/dbraw/zinc/20/29/62/720202962.db2.gz ADFFPOLQHBFKSP-GOSISDBHSA-N 1 0 477.947 3.566 20 0 JHADRO Cc1cccc(Oc2nc(Cl)ncc2N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1 ZINC001164717235 720204987 /nfs/dbraw/zinc/20/49/87/720204987.db2.gz GYKQIAHTWCQIKD-OAQYLSRUSA-N 1 0 484.004 3.575 20 0 JHADRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718402 720207459 /nfs/dbraw/zinc/20/74/59/720207459.db2.gz LBUMOIRXHUPBNC-LJQANCHMSA-N 1 0 466.964 3.502 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(C(=O)NCc3ccccc3)cc(Cl)n2)CC1 ZINC001164819654 720303427 /nfs/dbraw/zinc/30/34/27/720303427.db2.gz FLVPCYXYGKMWKH-PKTZIBPZSA-N 1 0 496.055 3.577 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)CC1 ZINC001164821600 720307157 /nfs/dbraw/zinc/30/71/57/720307157.db2.gz LBALXUYMOKKGSD-ZEQRLZLVSA-N 1 0 495.071 3.557 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3ncnc(Cl)c3c2)CC1 ZINC001164828302 720310794 /nfs/dbraw/zinc/31/07/94/720310794.db2.gz ZXNJKENLJUCVKF-VQTJNVASSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc3ncnc(Cl)c3c2)CC1 ZINC001164828301 720310931 /nfs/dbraw/zinc/31/09/31/720310931.db2.gz ZXNJKENLJUCVKF-UXHICEINSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2c[nH]c3nc(Cl)ccc23)CC1 ZINC001164827118 720319122 /nfs/dbraw/zinc/31/91/22/720319122.db2.gz GWVHQMRVIDCKPR-ZWKOTPCHSA-N 1 0 451.949 3.673 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nc3ccccc3nc2Cl)CC1 ZINC001164830046 720326361 /nfs/dbraw/zinc/32/63/61/720326361.db2.gz OLMKVBBAZIHWCT-RBUKOAKNSA-N 1 0 463.960 3.740 20 0 JHADRO Cc1cccc(Sc2cncc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164829498 720332524 /nfs/dbraw/zinc/33/25/24/720332524.db2.gz MUHVUQQVSYPQGE-YADHBBJMSA-N 1 0 451.640 3.848 20 0 JHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828720 720338157 /nfs/dbraw/zinc/33/81/57/720338157.db2.gz POADPQAMRKOJFJ-DCEDVJGZSA-N 1 0 476.669 3.920 20 0 JHADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735892 720417177 /nfs/dbraw/zinc/41/71/77/720417177.db2.gz ZBQPRDJNDXHTMN-NHCUHLMSSA-N 1 0 453.587 3.606 20 0 JHADRO O=S(=O)(c1ccccc1)n1c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc2c1ncnc2Cl ZINC001164734723 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CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C3)O2)CC1 ZINC001164883472 721411720 /nfs/dbraw/zinc/41/17/20/721411720.db2.gz ABBVTAMTSLYZLL-IERDGZPVSA-N 1 0 453.965 3.527 20 0 JHADRO CCc1nc2sc3c(c2c(N2CC[C@]4(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O4)n1)CCC3 ZINC001164890758 721433224 /nfs/dbraw/zinc/43/32/24/721433224.db2.gz FEKIXHWDAHHFSZ-CJAUYULYSA-N 1 0 455.672 3.508 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164896864 721444105 /nfs/dbraw/zinc/44/41/05/721444105.db2.gz SGUNXTXSNGZUGK-UHSQPCAPSA-N 1 0 490.696 3.899 20 0 JHADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1 ZINC001164785199 721448382 /nfs/dbraw/zinc/44/83/82/721448382.db2.gz HBXCUEVFZFFOLL-HXUWFJFHSA-N 1 0 466.022 3.646 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4F)C3)O2)CC1 ZINC001164884441 721448498 /nfs/dbraw/zinc/44/84/98/721448498.db2.gz BFKNEEUTQXMPNZ-UUOWRZLLSA-N 1 0 475.996 3.827 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4cccc(F)c4)C3)O2)CC1 ZINC001164884425 721450367 /nfs/dbraw/zinc/45/03/67/721450367.db2.gz BDVRUXUIKLBEHI-GBXCKJPGSA-N 1 0 475.996 3.827 20 0 JHADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1 ZINC001164889065 721451057 /nfs/dbraw/zinc/45/10/57/721451057.db2.gz NHCZHQABFWAFFO-PXDATVDWSA-N 1 0 488.032 3.696 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)CC2 ZINC001164787771 721454050 /nfs/dbraw/zinc/45/40/50/721454050.db2.gz QHDKVVAKINJTJQ-FQEVSTJZSA-N 1 0 475.634 3.558 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(F)c(OC)cc31)CC2 ZINC001164790084 721462990 /nfs/dbraw/zinc/46/29/90/721462990.db2.gz ZRACPHGLCHKECZ-IBGZPJMESA-N 1 0 458.578 3.511 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3nc(SC)sc31)CC2 ZINC001164784507 721463675 /nfs/dbraw/zinc/46/36/75/721463675.db2.gz INPKIYNRLWVUMC-KRWDZBQOSA-N 1 0 463.673 3.542 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(-c3ccc(N(C)C)cc3)n1)CC2 ZINC001164783611 721464067 /nfs/dbraw/zinc/46/40/67/721464067.db2.gz DTQLXDINHQSRBS-RUZDIDTESA-N 1 0 479.669 3.944 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3ccccc3OC)ncn1)CC2 ZINC001164788030 721467951 /nfs/dbraw/zinc/46/79/51/721467951.db2.gz HQIOCSDZPLAGLA-JOCHJYFZSA-N 1 0 466.626 3.886 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc(OC)cc3OC)nn1)CC2 ZINC001164790131 721469432 /nfs/dbraw/zinc/46/94/32/721469432.db2.gz ROYNSJNPIMWDPB-JOCHJYFZSA-N 1 0 496.652 3.895 20 0 JHADRO CC(=O)Oc1cc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2cc1OC(C)=O ZINC001164796695 721497646 /nfs/dbraw/zinc/49/76/46/721497646.db2.gz VLGYGTWMVHAVGY-UHFFFAOYSA-N 1 0 489.576 3.756 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cnc(-c4ccccc4)c(-c4ccccc4)n2)CC3)CC1 ZINC001164794572 721513006 /nfs/dbraw/zinc/51/30/06/721513006.db2.gz SARDBKTXXHAIDI-UHFFFAOYSA-N 1 0 465.605 3.775 20 0 JHADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1 ZINC001164799172 721514994 /nfs/dbraw/zinc/51/49/94/721514994.db2.gz XVOCGCIZKWONSP-UHFFFAOYSA-N 1 0 471.584 3.708 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4cc(-c5ccc(Cl)cc5)sc42)CC3)CC1 ZINC001164797193 721518878 /nfs/dbraw/zinc/51/88/78/721518878.db2.gz IEQSYVQMTRUQJH-UHFFFAOYSA-N 1 0 480.041 3.976 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)CC3)CC1 ZINC001164794358 721521179 /nfs/dbraw/zinc/52/11/79/721521179.db2.gz CBEFNNILTZFEDT-UHFFFAOYSA-N 1 0 488.970 3.791 20 0 JHADRO COC(=O)c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1Cl ZINC001164901450 721525272 /nfs/dbraw/zinc/52/52/72/721525272.db2.gz XJZAWBHUPLZFSU-WBVHZDCISA-N 1 0 455.864 3.548 20 0 JHADRO COC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)n1 ZINC001164906754 721531226 /nfs/dbraw/zinc/53/12/26/721531226.db2.gz LENXGPQJIUSOCV-HOCLYGCPSA-N 1 0 455.864 3.548 20 0 JHADRO CCOC(Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1)OCC ZINC001164905211 721534271 /nfs/dbraw/zinc/53/42/71/721534271.db2.gz GQGWJOKSKOERPN-PKOBYXMFSA-N 1 0 464.969 3.553 20 0 JHADRO CN(C)C(=O)c1cc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164908828 721534427 /nfs/dbraw/zinc/53/44/27/721534427.db2.gz QRZPRYBEYMGEHM-GGAORHGYSA-N 1 0 492.599 3.729 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164903903 721549761 /nfs/dbraw/zinc/54/97/61/721549761.db2.gz DIIOAISLPVEDTC-WBVHZDCISA-N 1 0 469.891 3.938 20 0 JHADRO O=C(c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164906488 721556152 /nfs/dbraw/zinc/55/61/52/721556152.db2.gz JRHRZDVSJDNWEV-CTNGQTDRSA-N 1 0 458.965 3.842 20 0 JHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[N@@H+]3C2)c1 ZINC001164905896 721558379 /nfs/dbraw/zinc/55/83/79/721558379.db2.gz HXRGBDUUSSXIGD-IFMALSPDSA-N 1 0 462.525 3.786 20 0 JHADRO Cc1cccc(CN2CCO[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)CC[C@H]3C2=O)n1 ZINC001164798764 721602416 /nfs/dbraw/zinc/60/24/16/721602416.db2.gz IEWLUPPXQPUNJA-IAPPQJPRSA-N 1 0 497.643 3.597 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@H]3C2)nc1 ZINC001164803300 721603262 /nfs/dbraw/zinc/60/32/62/721603262.db2.gz VEGPHQUSNMRLER-NXCFDTQHSA-N 1 0 477.653 3.976 20 0 JHADRO COC(=O)c1c(Cl)cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1OC ZINC001164904840 721720360 /nfs/dbraw/zinc/72/03/60/721720360.db2.gz DHKQTKNOWVPAOW-NRFANRHFSA-N 1 0 466.916 3.663 20 0 JHADRO FC(F)(COc1ccc(Cl)nn1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164911238 721724648 /nfs/dbraw/zinc/72/46/48/721724648.db2.gz JETCNOAEGJIKHG-SFHVURJKSA-N 1 0 459.875 3.730 20 0 JHADRO COc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(Cl)n1 ZINC001164913498 721736643 /nfs/dbraw/zinc/73/66/43/721736643.db2.gz WJZBMBYZNSBSQE-SFHVURJKSA-N 1 0 459.875 3.816 20 0 JHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1 ZINC001165011950 721736905 /nfs/dbraw/zinc/73/69/05/721736905.db2.gz YTVNVGXLOBUJHT-UHFFFAOYSA-N 1 0 456.594 3.729 20 0 JHADRO CCOC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C(=O)OCC ZINC001164913110 721738203 /nfs/dbraw/zinc/73/82/03/721738203.db2.gz SYUBBNIGRREQGQ-XMMPIXPASA-N 1 0 488.535 3.568 20 0 JHADRO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165009600 721744973 /nfs/dbraw/zinc/74/49/73/721744973.db2.gz GQBPBBPUDDDGPG-FQEVSTJZSA-N 1 0 450.631 3.532 20 0 JHADRO c1cnn(CCCO[C@H]2CC[C@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001165019328 721779897 /nfs/dbraw/zinc/77/98/97/721779897.db2.gz KCZYGTITVFJNDO-NSVAZKTRSA-N 1 0 473.621 3.680 20 0 JHADRO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165027278 721801305 /nfs/dbraw/zinc/80/13/05/721801305.db2.gz VIMYZIGJRIOGBP-SNRMKQJTSA-N 1 0 479.959 3.984 20 0 JHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164917558 721808337 /nfs/dbraw/zinc/80/83/37/721808337.db2.gz NEKZIFAWEOTPRP-DENIHFKCSA-N 1 0 462.928 3.868 20 0 JHADRO CCOC(=O)c1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2s1 ZINC001165024682 721818307 /nfs/dbraw/zinc/81/83/07/721818307.db2.gz KIPVFCUXZCYVCN-QRFRQXIXSA-N 1 0 451.596 4.000 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)C[C@H]21 ZINC001165025687 721824372 /nfs/dbraw/zinc/82/43/72/721824372.db2.gz NJSZNWLCLZYJGX-HUROMRQRSA-N 1 0 483.664 3.935 20 0 JHADRO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165026721 721824978 /nfs/dbraw/zinc/82/49/78/721824978.db2.gz PUQMSEDHZFTQIP-WDJPJFJCSA-N 1 0 471.671 3.680 20 0 JHADRO CN(C)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(Cl)n1 ZINC001165025063 721830298 /nfs/dbraw/zinc/83/02/98/721830298.db2.gz LINDCNRKWBYDIR-RYQLBKOJSA-N 1 0 450.965 3.873 20 0 JHADRO COC(=O)c1nc(Cl)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165019103 721831067 /nfs/dbraw/zinc/83/10/67/721831067.db2.gz AXMFDAPGKFGJQX-BPUTZDHNSA-N 1 0 450.370 3.702 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nnc(Cl)c3N3CCOCC3)C[C@H]21 ZINC001165025142 721832412 /nfs/dbraw/zinc/83/24/12/721832412.db2.gz LXCKQNIGXSHPEL-QXAKKESOSA-N 1 0 477.440 3.752 20 0 JHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c2CN(C(C)C)C3=O)CC1 ZINC001165020355 721843102 /nfs/dbraw/zinc/84/31/02/721843102.db2.gz CUBBBKIRXUWEPV-UHFFFAOYSA-N 1 0 474.005 3.612 20 0 JHADRO CCC(C)(C)NS(=O)(=O)c1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1 ZINC001165022009 721843992 /nfs/dbraw/zinc/84/39/92/721843992.db2.gz MEJSUYMMHQCNBG-UHFFFAOYSA-N 1 0 490.670 3.667 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2ncc(F)cn2)C3)nc1 ZINC001164924201 721846590 /nfs/dbraw/zinc/84/65/90/721846590.db2.gz XFEGUPJAZZWGLP-DHLKQENFSA-N 1 0 454.594 3.681 20 0 JHADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2[C@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164925364 721868638 /nfs/dbraw/zinc/86/86/38/721868638.db2.gz OALSNEXIFNRBGV-YOSAUDMPSA-N 1 0 493.458 3.632 20 0 JHADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c1ccn2COCC[Si](C)(C)C ZINC001164926255 721871555 /nfs/dbraw/zinc/87/15/55/721871555.db2.gz QZLOMVHFKCEHKB-MOPGFXCFSA-N 1 0 465.118 3.612 20 0 JHADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001164926677 721875456 /nfs/dbraw/zinc/87/54/56/721875456.db2.gz SFIVJPCKFGGVNT-VQTJNVASSA-N 1 0 478.971 3.948 20 0 JHADRO CC1CCN(Cc2nc3sc4c(c3c(N3CC[C@@H]5[C@H]3CC[N@@H+]5CCN(C)C)n2)CCC4)CC1 ZINC001164932855 721879367 /nfs/dbraw/zinc/87/93/67/721879367.db2.gz KCLCVYIOPVZUJU-NHCUHLMSSA-N 1 0 468.715 3.627 20 0 JHADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164934576 721879396 /nfs/dbraw/zinc/87/93/96/721879396.db2.gz SDKNBJQEYXDHBH-SFTDATJTSA-N 1 0 468.715 3.771 20 0 JHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@@H]5[C@@H]4CC[N@@H+]5CCN(C)C)c23)C1 ZINC001164934820 721880085 /nfs/dbraw/zinc/88/00/85/721880085.db2.gz UPSGPVXEIFTMDY-NRSPTQNISA-N 1 0 468.715 3.627 20 0 JHADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[NH+](C[C@H]5CCCO5)CC4)c23)C1 ZINC001165039189 721918598 /nfs/dbraw/zinc/91/85/98/721918598.db2.gz RCXAXGYNPWNIFZ-RBUKOAKNSA-N 1 0 455.672 3.713 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CC3)C2)cc1 ZINC001164938989 721932535 /nfs/dbraw/zinc/93/25/35/721932535.db2.gz GAVBKHCDVYLEIY-UHFFFAOYSA-N 1 0 498.675 3.983 20 0 JHADRO CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1CN1CC[C@@H](CO)C1 ZINC001165049152 721973964 /nfs/dbraw/zinc/97/39/64/721973964.db2.gz NUOCEBSNYCLZIP-YADHBBJMSA-N 1 0 471.690 3.725 20 0 JHADRO c1ccc(CC[NH+]2CCN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)CC2)nc1 ZINC001165054765 722017891 /nfs/dbraw/zinc/01/78/91/722017891.db2.gz BPXCPLXJLHTQEL-UHFFFAOYSA-N 1 0 462.667 3.926 20 0 JHADRO 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/nfs/dbraw/zinc/22/65/27/722226527.db2.gz VVGLQDSTIIPSLJ-DEOSSOPVSA-N 1 0 458.610 3.854 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001306622289 1069312075 /nfs/dbraw/zinc/31/20/75/1069312075.db2.gz JOBTZPNRGDJPCH-OAQYLSRUSA-N 1 0 455.603 3.620 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(N(C)C)c2)CC[N@@H+]1CCOC ZINC001306622402 1069312143 /nfs/dbraw/zinc/31/21/43/1069312143.db2.gz BFFWOYOZEPRUHF-DEOSSOPVSA-N 1 0 477.657 3.700 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2CCc2ccc(Cl)s2)CC[N@@H+]1CCOC ZINC001306622928 1069313212 /nfs/dbraw/zinc/31/32/12/1069313212.db2.gz GAFVPKPZUUGUNR-KRWDZBQOSA-N 1 0 476.050 3.630 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(F)cn2)CC[N@@H+]1CCOC ZINC001306624058 1069316796 /nfs/dbraw/zinc/31/67/96/1069316796.db2.gz XLTNIRIZGZZZJH-FQEVSTJZSA-N 1 0 473.984 3.513 20 0 JHADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)Nc3ccnn3[C@H]3CCCOC3)cc2)C[C@H]1C ZINC001311292652 1069318422 /nfs/dbraw/zinc/31/84/22/1069318422.db2.gz MCPWDHJFFHTHHN-VWPQPMDRSA-N 1 0 455.603 3.565 20 0 JHADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)Nc3ccnn3[C@@H]3CCCOC3)cc2)C[C@H]1C ZINC001311292645 1069318490 /nfs/dbraw/zinc/31/84/90/1069318490.db2.gz MCPWDHJFFHTHHN-RZUBCFFCSA-N 1 0 455.603 3.565 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC(C)(C)C(F)(F)F)CC[N@@H+]1CCOC ZINC001306627585 1069324509 /nfs/dbraw/zinc/32/45/09/1069324509.db2.gz FTNZKPSKSKAMQL-LJQANCHMSA-N 1 0 468.568 3.790 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2cc(F)ccc2SC)CC[N@@H+]1CCOC ZINC001306628547 1069326433 /nfs/dbraw/zinc/32/64/33/1069326433.db2.gz GLWQRNPLJGWGRL-WIYYLYMNSA-N 1 0 477.650 3.628 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001306628592 1069327120 /nfs/dbraw/zinc/32/71/20/1069327120.db2.gz FBJQXPLWOGEWLE-MZKRTTBSSA-N 1 0 471.694 3.902 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC2(O)CCCCCC2)CC[N@@H+]1CCOC ZINC001306630721 1069329888 /nfs/dbraw/zinc/32/98/88/1069329888.db2.gz XSFVISUNOMMXAN-JOCHJYFZSA-N 1 0 475.703 3.953 20 0 JHADRO CCC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H](C)[NH+]2CCCCC2)CCO1 ZINC001306630756 1069330497 /nfs/dbraw/zinc/33/04/97/1069330497.db2.gz QRJPJJXHYINXRO-UXHICEINSA-N 1 0 474.675 3.539 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N[C@H](CC(N)=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC001311343922 1069331295 /nfs/dbraw/zinc/33/12/95/1069331295.db2.gz MVMBDVVYVHBBDW-FGZHOGPDSA-N 1 0 458.990 3.792 20 0 JHADRO COC(=O)c1ccc(CNC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1OC ZINC001311345828 1069331805 /nfs/dbraw/zinc/33/18/05/1069331805.db2.gz WZGIQYJHDATKKL-JOCHJYFZSA-N 1 0 455.555 3.517 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(C)(F)F)cc2)CC[N@@H+]1CCOC ZINC001306631727 1069332262 /nfs/dbraw/zinc/33/22/62/1069332262.db2.gz ULOZGHZKEGJULA-IFMALSPDSA-N 1 0 477.600 3.879 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001306631899 1069332426 /nfs/dbraw/zinc/33/24/26/1069332426.db2.gz VXBBEJKFWJUYRT-QZTJIDSGSA-N 1 0 488.683 3.639 20 0 JHADRO CCC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CCO1 ZINC001306632081 1069333457 /nfs/dbraw/zinc/33/34/57/1069333457.db2.gz JMEMUWYIICCSGD-NOZRDPDXSA-N 1 0 484.689 3.505 20 0 JHADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)[C@@H]1CCCc2cccnc21 ZINC001306633194 1069335513 /nfs/dbraw/zinc/33/55/13/1069335513.db2.gz KTHCONYPNVADFO-OAQYLSRUSA-N 1 0 458.400 3.924 20 0 JHADRO COc1ccc([C@H](CNC(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)[NH+]2CCCCC2)cc1 ZINC001311349420 1069335920 /nfs/dbraw/zinc/33/59/20/1069335920.db2.gz PFHZUEIRPHHINN-DEOSSOPVSA-N 1 0 450.583 3.695 20 0 JHADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@@H](O)c3cc4ccccc4s3)cc2)CC1 ZINC001311358244 1069341930 /nfs/dbraw/zinc/34/19/30/1069341930.db2.gz QSTYSEVEJYTEFR-JOCHJYFZSA-N 1 0 452.624 3.572 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC001311357874 1069342213 /nfs/dbraw/zinc/34/22/13/1069342213.db2.gz NRBCLMCSVAVIEX-BKMJKUGQSA-N 1 0 450.627 3.791 20 0 JHADRO C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C(=O)NCCc1ccccc1 ZINC001311359242 1069343272 /nfs/dbraw/zinc/34/32/72/1069343272.db2.gz JODKPEFUVUDPIL-YPAWHYETSA-N 1 0 450.627 3.711 20 0 JHADRO CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001311370818 1069348664 /nfs/dbraw/zinc/34/86/64/1069348664.db2.gz VQPLJBRASZDGPA-KZNAEPCWSA-N 1 0 461.912 3.860 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCO[C@H](c4ccc(F)cc4F)C3)CC2)c1 ZINC001311379637 1069353387 /nfs/dbraw/zinc/35/33/87/1069353387.db2.gz COGVNIYMVWXHDS-DEOSSOPVSA-N 1 0 458.553 3.568 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CC2CCOCC2)CC[N@@H+]1CCOC ZINC001306642296 1069353739 /nfs/dbraw/zinc/35/37/39/1069353739.db2.gz ICPCZXNLFVJBJR-FQEVSTJZSA-N 1 0 462.038 3.962 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCn2c(CCc3ccccc3)nnc2C1)c1ccsc1 ZINC001311395210 1069360409 /nfs/dbraw/zinc/36/04/09/1069360409.db2.gz LMKNATSJGFSQCV-NRFANRHFSA-N 1 0 452.628 3.733 20 0 JHADRO CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001306646187 1069357729 /nfs/dbraw/zinc/35/77/29/1069357729.db2.gz PKMGAGKKJZLOFZ-NRFANRHFSA-N 1 0 458.626 3.506 20 0 JHADRO CC[C@@H](CNC(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC001311393971 1069359534 /nfs/dbraw/zinc/35/95/34/1069359534.db2.gz DZUSCLUAPQIPJH-NZQKXSOJSA-N 1 0 453.537 3.924 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCO1 ZINC001306649497 1069361273 /nfs/dbraw/zinc/36/12/73/1069361273.db2.gz UILXWNMQQGFKLZ-HXUWFJFHSA-N 1 0 459.610 3.979 20 0 JHADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC001311406905 1069365027 /nfs/dbraw/zinc/36/50/27/1069365027.db2.gz XITYJPKQTIPYPB-WOJBJXKFSA-N 1 0 452.521 3.685 20 0 JHADRO CCCCCn1c(COc2ccccc2F)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001306655104 1069367070 /nfs/dbraw/zinc/36/70/70/1069367070.db2.gz GDUYIGABCQMXSI-REWPJTCUSA-N 1 0 486.636 3.565 20 0 JHADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001311419267 1069367746 /nfs/dbraw/zinc/36/77/46/1069367746.db2.gz SKRMTOZMOHKVNV-NRFANRHFSA-N 1 0 451.398 3.944 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 ZINC001311418872 1069368050 /nfs/dbraw/zinc/36/80/50/1069368050.db2.gz NLPKESWERRLHCV-OAQYLSRUSA-N 1 0 450.505 3.715 20 0 JHADRO CN(C)[C@H](CNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1Cl ZINC001311421596 1069368919 /nfs/dbraw/zinc/36/89/19/1069368919.db2.gz CIJRIRSOALXVBA-DNQXCXABSA-N 1 0 458.050 3.621 20 0 JHADRO O=C(NCCC[C@@H]1CCCCO1)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001311421575 1069369328 /nfs/dbraw/zinc/36/93/28/1069369328.db2.gz CFXFZJGGDATMDJ-NRFANRHFSA-N 1 0 456.553 3.866 20 0 JHADRO CN1CC[N@H+](CCCNC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)[C@H](c2ccccc2)C1 ZINC001311422773 1069370607 /nfs/dbraw/zinc/37/06/07/1069370607.db2.gz JPVSXOMTENVNCA-VJBWXMMDSA-N 1 0 456.656 3.724 20 0 JHADRO CCCCCn1cc(Cn2c(-c3cccn3C)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)c(C)n1 ZINC001306657421 1069371275 /nfs/dbraw/zinc/37/12/75/1069371275.db2.gz ZQTMJSAURCUMMU-VQTJNVASSA-N 1 0 452.651 3.946 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001311423448 1069371529 /nfs/dbraw/zinc/37/15/29/1069371529.db2.gz PXXKHBHBLFEVKI-LJQANCHMSA-N 1 0 459.997 3.569 20 0 JHADRO CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001306657693 1069371631 /nfs/dbraw/zinc/37/16/31/1069371631.db2.gz SAYQCUDJENOMFT-VXKWHMMOSA-N 1 0 489.709 3.757 20 0 JHADRO CCOC(=O)c1csc(CC2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC001311430781 1069376309 /nfs/dbraw/zinc/37/63/09/1069376309.db2.gz SMPJFCSKBZWGDE-GOSISDBHSA-N 1 0 450.649 3.939 20 0 JHADRO COc1cccc([C@@H](NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c2cc(F)ccc2OC)c1 ZINC001311441035 1069381617 /nfs/dbraw/zinc/38/16/17/1069381617.db2.gz LGIKBEFVMAFERJ-XUZZJYLKSA-N 1 0 459.562 3.588 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(CC(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001306664321 1069388324 /nfs/dbraw/zinc/38/83/24/1069388324.db2.gz IASGVBSYBHMZNI-VXKWHMMOSA-N 1 0 490.737 3.839 20 0 JHADRO COC(=O)Nc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001311460789 1069388718 /nfs/dbraw/zinc/38/87/18/1069388718.db2.gz PTDMJAKZKTWLKX-LJQANCHMSA-N 1 0 450.461 3.957 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001306665945 1069393241 /nfs/dbraw/zinc/39/32/41/1069393241.db2.gz QXZBSOIAJSERCT-GMAHTHKFSA-N 1 0 474.694 3.727 20 0 JHADRO COc1ccc(C(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c2ccc(OC)cc2)cc1 ZINC001311477510 1069396835 /nfs/dbraw/zinc/39/68/35/1069396835.db2.gz HTCGDVPCKKDRDW-UHFFFAOYSA-N 1 0 453.583 3.690 20 0 JHADRO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001311480545 1069397540 /nfs/dbraw/zinc/39/75/40/1069397540.db2.gz OHKWLFNPVGAQSC-QHCPKHFHSA-N 1 0 458.647 3.980 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001306678746 1069403720 /nfs/dbraw/zinc/40/37/20/1069403720.db2.gz DNINYINBCXQAGD-UHFFFAOYSA-N 1 0 454.541 3.919 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001306677732 1069401878 /nfs/dbraw/zinc/40/18/78/1069401878.db2.gz BPURAIHTDGOZAM-RPWUZVMVSA-N 1 0 474.694 3.727 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCc2scnc2C)CC1 ZINC001306677886 1069402389 /nfs/dbraw/zinc/40/23/89/1069402389.db2.gz DKUMEAGGRBKDKB-UHFFFAOYSA-N 1 0 456.664 3.635 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](CCC)C1 ZINC001306680819 1069408475 /nfs/dbraw/zinc/40/84/75/1069408475.db2.gz GUIUUTBIYKLGMF-SFHVURJKSA-N 1 0 467.456 3.783 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NC[C@]3(O)CCC[C@H](C(F)(F)F)C3)cc2)C[C@@H](C)O1 ZINC001311498755 1069407686 /nfs/dbraw/zinc/40/76/86/1069407686.db2.gz WONDKCMWKXQKAL-ODHOGUPTSA-N 1 0 457.537 3.579 20 0 JHADRO CCCN(C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001311501365 1069410260 /nfs/dbraw/zinc/41/02/60/1069410260.db2.gz IHSBBDUTKSWRNY-XZOQPEGZSA-N 1 0 457.663 3.883 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C(=O)NC)CC1 ZINC001306681580 1069411084 /nfs/dbraw/zinc/41/10/84/1069411084.db2.gz OECAFSUJKYNRAD-UHFFFAOYSA-N 1 0 496.685 3.570 20 0 JHADRO C[NH+](C)CCOc1cccc(CNC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC001311499802 1069408991 /nfs/dbraw/zinc/40/89/91/1069408991.db2.gz IGRIZHDVQAIHAR-LJQANCHMSA-N 1 0 459.896 3.832 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001306683374 1069416476 /nfs/dbraw/zinc/41/64/76/1069416476.db2.gz WYTMVUVADPHEQA-HSZRJFAPSA-N 1 0 451.619 3.551 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001306683277 1069416485 /nfs/dbraw/zinc/41/64/85/1069416485.db2.gz QQFYREKZAGKSJE-UHFFFAOYSA-N 1 0 478.041 3.640 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001306683287 1069416576 /nfs/dbraw/zinc/41/65/76/1069416576.db2.gz WMJCAZQTZDACTL-UHFFFAOYSA-N 1 0 489.064 3.788 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCN(CC(F)F)CC1 ZINC001306683481 1069417156 /nfs/dbraw/zinc/41/71/56/1069417156.db2.gz VPZRLXGCLPXIEJ-UHFFFAOYSA-N 1 0 457.573 3.612 20 0 JHADRO C[C@@H]1CN(C(C)(C)CNC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)C[C@@H](C)O1 ZINC001311510833 1069415948 /nfs/dbraw/zinc/41/59/48/1069415948.db2.gz LHGJUIRKJQXCII-HUUCEWRRSA-N 1 0 455.521 3.596 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001306683126 1069416024 /nfs/dbraw/zinc/41/60/24/1069416024.db2.gz PHSPDFLBNBDOLQ-SFTDATJTSA-N 1 0 457.619 3.700 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001306684098 1069418800 /nfs/dbraw/zinc/41/88/00/1069418800.db2.gz IRMGRUXOCQQNFX-UHFFFAOYSA-N 1 0 482.677 3.673 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001306685096 1069420065 /nfs/dbraw/zinc/42/00/65/1069420065.db2.gz ZUORRGFJSXOQOP-UHFFFAOYSA-N 1 0 476.629 3.631 20 0 JHADRO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC001311526286 1069423417 /nfs/dbraw/zinc/42/34/17/1069423417.db2.gz WSWPKHJYCVZKBM-DVECYGJZSA-N 1 0 452.599 3.627 20 0 JHADRO CCC(CC)[C@@H](CNC(=O)N[C@@H](C)Cc1cc(Br)ccc1F)[NH+]1CCOCC1 ZINC001311535516 1069427830 /nfs/dbraw/zinc/42/78/30/1069427830.db2.gz TXGJUAZUOLYLDX-MGPUTAFESA-N 1 0 458.416 3.955 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001306687171 1069424095 /nfs/dbraw/zinc/42/40/95/1069424095.db2.gz ZMKDLYOVOGINLR-OAQYLSRUSA-N 1 0 496.578 3.597 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001306687795 1069424602 /nfs/dbraw/zinc/42/46/02/1069424602.db2.gz KJKGJAUPGGABSE-XLIONFOSSA-N 1 0 491.706 3.715 20 0 JHADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC001311532733 1069426425 /nfs/dbraw/zinc/42/64/25/1069426425.db2.gz KOGMJLHMVVARTR-UHFFFAOYSA-N 1 0 458.990 3.749 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001306689147 1069426494 /nfs/dbraw/zinc/42/64/94/1069426494.db2.gz ZIRRWPWXRUJHAY-HXUWFJFHSA-N 1 0 464.655 3.603 20 0 JHADRO CCCCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001306689143 1069426619 /nfs/dbraw/zinc/42/66/19/1069426619.db2.gz ZBZOEPBFNSBEHG-UHFFFAOYSA-N 1 0 460.667 3.564 20 0 JHADRO C[C@H]1C[NH+](CCCNC(=O)NCC2(c3ccc(Br)cc3Cl)CC2)C[C@H](C)O1 ZINC001311535663 1069428361 /nfs/dbraw/zinc/42/83/61/1069428361.db2.gz SKDBOODKCHALHH-GJZGRUSLSA-N 1 0 458.828 3.933 20 0 JHADRO COc1cccc([C@H](CNC(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)[NH+]2CCCC2)c1 ZINC001311582145 1069449426 /nfs/dbraw/zinc/44/94/26/1069449426.db2.gz WVRBRAPELZNCNH-WDZJFXIESA-N 1 0 472.630 3.731 20 0 JHADRO CN1C(=O)C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC001311595187 1069456813 /nfs/dbraw/zinc/45/68/13/1069456813.db2.gz OZQXKMGYARFDFR-LADGPHEKSA-N 1 0 456.537 3.722 20 0 JHADRO CCCCn1cc(Cn2c(-c3cnccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1 ZINC001306720318 1069454952 /nfs/dbraw/zinc/45/49/52/1069454952.db2.gz TUMHTCOSIPLYMU-UHFFFAOYSA-N 1 0 465.650 3.645 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306721898 1069458884 /nfs/dbraw/zinc/45/88/84/1069458884.db2.gz CMBJZBPVZOQXRX-NHCUHLMSSA-N 1 0 455.603 3.608 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306721900 1069459040 /nfs/dbraw/zinc/45/90/40/1069459040.db2.gz CMBJZBPVZOQXRX-SFTDATJTSA-N 1 0 455.603 3.608 20 0 JHADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCc2nc(-c3ccccc3)cs2)CC1 ZINC001311607627 1069460341 /nfs/dbraw/zinc/46/03/41/1069460341.db2.gz JROZSVPVLQIHJX-UHFFFAOYSA-N 1 0 457.644 3.580 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001306722413 1069460574 /nfs/dbraw/zinc/46/05/74/1069460574.db2.gz KYDZHKCYOAGISK-SJLPKXTDSA-N 1 0 494.482 3.509 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(=O)NC)CC1 ZINC001306722571 1069461029 /nfs/dbraw/zinc/46/10/29/1069461029.db2.gz JAWZWYFCECYYIU-JOCHJYFZSA-N 1 0 467.662 3.656 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001306722943 1069462255 /nfs/dbraw/zinc/46/22/55/1069462255.db2.gz PAYKEBQHWMKSPZ-DHIUTWEWSA-N 1 0 486.636 3.788 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001306723244 1069462882 /nfs/dbraw/zinc/46/28/82/1069462882.db2.gz PPURKDMMILTIDG-NHCUHLMSSA-N 1 0 455.651 3.669 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001306723418 1069463435 /nfs/dbraw/zinc/46/34/35/1069463435.db2.gz QUERUYMOEUQVJD-WIYYLYMNSA-N 1 0 474.675 3.655 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC001306723350 1069463446 /nfs/dbraw/zinc/46/34/46/1069463446.db2.gz RTGFWLFWHNMNFW-SFTDATJTSA-N 1 0 472.682 3.885 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC)(CC)C1 ZINC001306724897 1069465918 /nfs/dbraw/zinc/46/59/18/1069465918.db2.gz AADRWTDMXPYOPT-SFTDATJTSA-N 1 0 465.708 3.851 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306722795 1069461840 /nfs/dbraw/zinc/46/18/40/1069461840.db2.gz LCPJFLGIBGWXTM-PKTZIBPZSA-N 1 0 482.673 3.913 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306725775 1069467102 /nfs/dbraw/zinc/46/71/02/1069467102.db2.gz HHSYLJPGTOHVDS-DEOSSOPVSA-N 1 0 481.689 3.613 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001306726001 1069467914 /nfs/dbraw/zinc/46/79/14/1069467914.db2.gz JBUIGSCEVZUTAV-PGRDOPGGSA-N 1 0 490.599 3.790 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001306727099 1069471220 /nfs/dbraw/zinc/47/12/20/1069471220.db2.gz AAECFNOWKYTQNE-DNVJHFABSA-N 1 0 481.689 3.983 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001306726811 1069470596 /nfs/dbraw/zinc/47/05/96/1069470596.db2.gz NOAQNKFVILMBQQ-NRFANRHFSA-N 1 0 459.660 3.974 20 0 JHADRO COc1ccccc1[C@H](CNC(=O)N(C)Cc1cn(C)nc1C(F)(F)F)[NH+]1CCCCC1 ZINC001311621500 1069472293 /nfs/dbraw/zinc/47/22/93/1069472293.db2.gz CACBJRNREHZWGD-SFHVURJKSA-N 1 0 453.509 3.816 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3ccsc3)n2CC[NH+]2CCSCC2)C1 ZINC001306729733 1069479105 /nfs/dbraw/zinc/47/91/05/1069479105.db2.gz AHCZOGIJTBRCBL-PZJWPPBQSA-N 1 0 490.743 3.500 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001306730564 1069482481 /nfs/dbraw/zinc/48/24/81/1069482481.db2.gz NTKDORQBKVYGBL-NHCUHLMSSA-N 1 0 488.702 3.785 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](C)[NH+](C)C)C1 ZINC001306730868 1069483549 /nfs/dbraw/zinc/48/35/49/1069483549.db2.gz HVCZLBDPLWMAJX-PCCBWWKXSA-N 1 0 479.673 3.908 20 0 JHADRO C[C@@H](CNC(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001311638948 1069484393 /nfs/dbraw/zinc/48/43/93/1069484393.db2.gz SWHCZDJMXQTQNH-RCZSKKKRSA-N 1 0 462.610 3.950 20 0 JHADRO C[C@H](CNC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001311638765 1069484407 /nfs/dbraw/zinc/48/44/07/1069484407.db2.gz OMHKLIPUCFFFNZ-QGZVFWFLSA-N 1 0 454.537 3.731 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001306731051 1069484413 /nfs/dbraw/zinc/48/44/13/1069484413.db2.gz OJVMHWNEASWXOD-BDHVOXNPSA-N 1 0 465.708 3.987 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(F)cc1F ZINC001306731082 1069485053 /nfs/dbraw/zinc/48/50/53/1069485053.db2.gz OQRUQXYNSMSVSR-OAQYLSRUSA-N 1 0 474.600 3.970 20 0 JHADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC001311647011 1069487729 /nfs/dbraw/zinc/48/77/29/1069487729.db2.gz ZRXBCCFSPMXTOG-OZXSUGGESA-N 1 0 456.590 3.856 20 0 JHADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC001311671812 1069497945 /nfs/dbraw/zinc/49/79/45/1069497945.db2.gz GNGVPFRHZCFOSX-YOUFYPILSA-N 1 0 458.651 3.794 20 0 JHADRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC001311674922 1069499637 /nfs/dbraw/zinc/49/96/37/1069499637.db2.gz RCFKBUBTHIDRLB-UHFFFAOYSA-N 1 0 452.665 3.513 20 0 JHADRO Cc1ccc(NC(=O)COc2ccc(CCNC(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)cc2)cc1 ZINC001311691777 1069505728 /nfs/dbraw/zinc/50/57/28/1069505728.db2.gz OXWQDKWOBXHMMO-XMMPIXPASA-N 1 0 452.599 3.537 20 0 JHADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001311687484 1069503449 /nfs/dbraw/zinc/50/34/49/1069503449.db2.gz DRYJGCBMRHUEPY-RPHTVSPISA-N 1 0 462.610 3.948 20 0 JHADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC001311690090 1069504758 /nfs/dbraw/zinc/50/47/58/1069504758.db2.gz QSRPOTLALQBMSS-JXXFODFXSA-N 1 0 450.546 3.738 20 0 JHADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC001311690092 1069504771 /nfs/dbraw/zinc/50/47/71/1069504771.db2.gz QSRPOTLALQBMSS-QINHECLXSA-N 1 0 450.546 3.738 20 0 JHADRO CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC001311702976 1069510637 /nfs/dbraw/zinc/51/06/37/1069510637.db2.gz APWKLFOMHWGPFN-LJQANCHMSA-N 1 0 452.599 3.732 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001306740861 1069514738 /nfs/dbraw/zinc/51/47/38/1069514738.db2.gz WHXOJHATTVNHCM-NHCUHLMSSA-N 1 0 455.651 3.528 20 0 JHADRO NC(=O)[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)Cc1ccccc1Cl ZINC001311765340 1069538132 /nfs/dbraw/zinc/53/81/32/1069538132.db2.gz MLNCETJERXTYJS-QFIPXVFZSA-N 1 0 457.018 3.859 20 0 JHADRO CCc1cc(N2CCC(NC(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)CC2)ncn1 ZINC001311765731 1069538273 /nfs/dbraw/zinc/53/82/73/1069538273.db2.gz OOVWZVSDOKYKNW-UHFFFAOYSA-N 1 0 450.631 3.883 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2C[C@H](C)OC)cc1OC ZINC001306747461 1069534890 /nfs/dbraw/zinc/53/48/90/1069534890.db2.gz RECZSOUCIXEPCP-ZJOUEHCJSA-N 1 0 457.619 3.840 20 0 JHADRO COc1ccc(C[NH+]2CCC(CNC(=O)N3CCO[C@H](c4ccc(OC)cc4)C3)CC2)cc1 ZINC001311758414 1069534878 /nfs/dbraw/zinc/53/48/78/1069534878.db2.gz KZHMHHKXTFXTTF-VWLOTQADSA-N 1 0 453.583 3.699 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CCC[C@@H]3CC)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001306749027 1069540598 /nfs/dbraw/zinc/54/05/98/1069540598.db2.gz ONJPOIUCRRLESI-CPJSRVTESA-N 1 0 457.619 3.578 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001306749114 1069540623 /nfs/dbraw/zinc/54/06/23/1069540623.db2.gz PEABSHQBVGPXKM-WOJBJXKFSA-N 1 0 474.675 3.627 20 0 JHADRO CN(Cc1ccccc1OCc1ccccc1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001311776920 1069542516 /nfs/dbraw/zinc/54/25/16/1069542516.db2.gz HSOVBCYQVXUACL-UHFFFAOYSA-N 1 0 450.627 3.966 20 0 JHADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001311786541 1069545223 /nfs/dbraw/zinc/54/52/23/1069545223.db2.gz ZMVKXETWMBDYSJ-XTZPKPCCSA-N 1 0 458.553 3.732 20 0 JHADRO CCCCOc1ncccc1Cn1c(Cc2ccncc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001306754912 1069551286 /nfs/dbraw/zinc/55/12/86/1069551286.db2.gz KDVWMVMPXURQKT-UHFFFAOYSA-N 1 0 463.630 3.807 20 0 JHADRO CC[NH+]1CCC(CNC(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)CC1 ZINC001311810387 1069554770 /nfs/dbraw/zinc/55/47/70/1069554770.db2.gz IDRCELZBYBLYKC-UHFFFAOYSA-N 1 0 458.647 3.986 20 0 JHADRO C[C@@H](NC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819013 1069558478 /nfs/dbraw/zinc/55/84/78/1069558478.db2.gz CHQMNOMPFCAXMN-SJORKVTESA-N 1 0 452.534 3.749 20 0 JHADRO COc1cccc2c1CCC[C@@H](NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)C2 ZINC001311825128 1069562887 /nfs/dbraw/zinc/56/28/87/1069562887.db2.gz ZIVKWRQNTRJRTF-WIYYLYMNSA-N 1 0 454.590 3.894 20 0 JHADRO COc1ccccc1N1CC[C@H](CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC001311827922 1069564906 /nfs/dbraw/zinc/56/49/06/1069564906.db2.gz DYMJJCXRQKYBKR-HYBUGGRVSA-N 1 0 454.615 3.911 20 0 JHADRO CCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001306765505 1069567284 /nfs/dbraw/zinc/56/72/84/1069567284.db2.gz IKZDKRDTNPBQML-IBGZPJMESA-N 1 0 451.619 3.814 20 0 JHADRO O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001311834012 1069570163 /nfs/dbraw/zinc/57/01/63/1069570163.db2.gz AZXDQSBEJNPKSU-OAQYLSRUSA-N 1 0 456.612 3.694 20 0 JHADRO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001306776710 1069572429 /nfs/dbraw/zinc/57/24/29/1069572429.db2.gz VZXOXMQNAXUVHE-NRFANRHFSA-N 1 0 499.660 3.785 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2cccnc2)C1 ZINC001306778977 1069574309 /nfs/dbraw/zinc/57/43/09/1069574309.db2.gz CKMPXGOMXCHANH-IBGZPJMESA-N 1 0 486.462 3.852 20 0 JHADRO O=C(NCc1ccc(Oc2cccc(F)c2)nc1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001311838978 1069573335 /nfs/dbraw/zinc/57/33/35/1069573335.db2.gz SZVFIMRIEXWOLR-QFIPXVFZSA-N 1 0 450.514 3.579 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC2(O)CCC2)C1 ZINC001306778684 1069573719 /nfs/dbraw/zinc/57/37/19/1069573719.db2.gz ASPZOSHFOUDDJN-QGZVFWFLSA-N 1 0 492.462 3.799 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCC(=O)N(C)C)C1 ZINC001306778988 1069574988 /nfs/dbraw/zinc/57/49/88/1069574988.db2.gz CMJMLZITEIUCFJ-SFHVURJKSA-N 1 0 491.478 3.744 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)c2nc(C)cs2)C1 ZINC001306780612 1069577945 /nfs/dbraw/zinc/57/79/45/1069577945.db2.gz AHRNHQZCHKCYLW-MJGOQNOKSA-N 1 0 482.658 3.662 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](CC)OC)C1 ZINC001306783720 1069583731 /nfs/dbraw/zinc/58/37/31/1069583731.db2.gz OGCPJEPBFAHWCL-IRLDBZIGSA-N 1 0 492.709 3.986 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3sccc3c2)C1 ZINC001306783644 1069583107 /nfs/dbraw/zinc/58/31/07/1069583107.db2.gz NFERXKLOZVCIFG-LJQANCHMSA-N 1 0 454.644 3.847 20 0 JHADRO CCOc1cc2c(cc1CNC(=O)NC[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1OCC)O[C@@H](C)C2 ZINC001311854327 1069581352 /nfs/dbraw/zinc/58/13/52/1069581352.db2.gz BTANBIDAPWCBQY-RQADYFSKSA-N 1 0 467.610 3.745 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2ccnc(C(C)(C)C)n2)C1 ZINC001306782922 1069581835 /nfs/dbraw/zinc/58/18/35/1069581835.db2.gz HAHFAKRZFMRYJG-HXUWFJFHSA-N 1 0 479.677 3.567 20 0 JHADRO CCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306784841 1069585279 /nfs/dbraw/zinc/58/52/79/1069585279.db2.gz TZRJBRVKRJAEPH-FGYAAKKASA-N 1 0 478.682 3.783 20 0 JHADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001311860115 1069585488 /nfs/dbraw/zinc/58/54/88/1069585488.db2.gz BTDUYPUXNIOXPG-NTKDMRAZSA-N 1 0 451.590 3.536 20 0 JHADRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001311860118 1069585641 /nfs/dbraw/zinc/58/56/41/1069585641.db2.gz BTDUYPUXNIOXPG-YADARESESA-N 1 0 451.590 3.536 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2N2CCCCC2)C1 ZINC001306785191 1069586084 /nfs/dbraw/zinc/58/60/84/1069586084.db2.gz VHCVBTPANXDMEQ-JOCHJYFZSA-N 1 0 481.689 3.623 20 0 JHADRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001311869978 1069588573 /nfs/dbraw/zinc/58/85/73/1069588573.db2.gz BXEHTSCNLIMXSX-FCHUYYIVSA-N 1 0 458.965 3.938 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCCS2(=O)=O)C1 ZINC001306785733 1069587482 /nfs/dbraw/zinc/58/74/82/1069587482.db2.gz SEWSAWJQTWTZAP-OALUTQOASA-N 1 0 480.078 3.734 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC001306786625 1069590025 /nfs/dbraw/zinc/59/00/25/1069590025.db2.gz XOZKZMQJRFKHNJ-ONTIZHBOSA-N 1 0 457.667 3.688 20 0 JHADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)NCC1(c2ccccc2Cl)CCOCC1 ZINC001311873539 1069590644 /nfs/dbraw/zinc/59/06/44/1069590644.db2.gz HESDBGRUSYHIRH-UHFFFAOYSA-N 1 0 457.018 3.995 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2=CCCOC2)C1 ZINC001306787788 1069592504 /nfs/dbraw/zinc/59/25/04/1069592504.db2.gz COGMOGXLZMRVMF-JOCHJYFZSA-N 1 0 453.631 3.989 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001306789370 1069595355 /nfs/dbraw/zinc/59/53/55/1069595355.db2.gz WJXSWGLCGNCPPD-OAQYLSRUSA-N 1 0 484.664 3.967 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ccn(C)n2)C1 ZINC001306790184 1069596047 /nfs/dbraw/zinc/59/60/47/1069596047.db2.gz VKQIREYHWWWDDR-HXUWFJFHSA-N 1 0 453.660 3.829 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2sc(C)nc2C)C1 ZINC001306790209 1069596249 /nfs/dbraw/zinc/59/62/49/1069596249.db2.gz VXAXLHMXIIKDHV-SFHVURJKSA-N 1 0 487.699 3.559 20 0 JHADRO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001311885969 1069596763 /nfs/dbraw/zinc/59/67/63/1069596763.db2.gz DHLURXBBQWCNQK-DNQXCXABSA-N 1 0 453.631 3.752 20 0 JHADRO CCCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001306790957 1069597323 /nfs/dbraw/zinc/59/73/23/1069597323.db2.gz CTIAODVHMQYUJT-INIZCTEOSA-N 1 0 453.429 3.773 20 0 JHADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)NCc1ccc(Br)c(F)c1 ZINC001311886225 1069597447 /nfs/dbraw/zinc/59/74/47/1069597447.db2.gz FFLGFPWOAKKDSG-UHFFFAOYSA-N 1 0 450.352 3.544 20 0 JHADRO CCCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001306791482 1069597923 /nfs/dbraw/zinc/59/79/23/1069597923.db2.gz IKCNGYMMHZSLJX-OAQYLSRUSA-N 1 0 476.691 3.552 20 0 JHADRO CCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306795148 1069600952 /nfs/dbraw/zinc/60/09/52/1069600952.db2.gz UNCXTJXICWNYGJ-LJQANCHMSA-N 1 0 465.646 3.939 20 0 JHADRO CCC[N@H+](CC)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001306798343 1069604397 /nfs/dbraw/zinc/60/43/97/1069604397.db2.gz UUKDLHIISUMEPG-HXUWFJFHSA-N 1 0 456.635 3.883 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001306802372 1069608781 /nfs/dbraw/zinc/60/87/81/1069608781.db2.gz JSZOPHFXODLDQH-INIZCTEOSA-N 1 0 493.479 3.934 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCc1c(F)c(F)cc(F)c1F ZINC001311903667 1069606671 /nfs/dbraw/zinc/60/66/71/1069606671.db2.gz GCYXQPNIOPGRNM-UHFFFAOYSA-N 1 0 458.887 3.908 20 0 JHADRO CN(C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001311903088 1069606741 /nfs/dbraw/zinc/60/67/41/1069606741.db2.gz TXGNZYOBQQIGEH-DNQXCXABSA-N 1 0 450.631 3.747 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306801949 1069607476 /nfs/dbraw/zinc/60/74/76/1069607476.db2.gz CMMCDMLYYXDBRW-QFIPXVFZSA-N 1 0 485.677 3.832 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)=C(C)C1 ZINC001306803047 1069610986 /nfs/dbraw/zinc/61/09/86/1069610986.db2.gz VTWHIXCKVYCRNE-NRFANRHFSA-N 1 0 476.666 3.865 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001306803246 1069611447 /nfs/dbraw/zinc/61/14/47/1069611447.db2.gz VFWQCDDLTSVYEY-FQEVSTJZSA-N 1 0 487.450 3.873 20 0 JHADRO COc1ccccc1SC[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001311917584 1069612219 /nfs/dbraw/zinc/61/22/19/1069612219.db2.gz JYCPZDALPNLCPB-BAGYTPMASA-N 1 0 457.640 3.606 20 0 JHADRO CCc1ccc([C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001311920824 1069612641 /nfs/dbraw/zinc/61/26/41/1069612641.db2.gz HZQVMOGIZUTUHD-XMMPIXPASA-N 1 0 457.640 3.916 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1c1nncn1C ZINC001306805578 1069616443 /nfs/dbraw/zinc/61/64/43/1069616443.db2.gz LFABJHAOTXCSOF-IBGZPJMESA-N 1 0 487.450 3.910 20 0 JHADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N[C@H]3CCCc4ccc(Cl)cc43)c2)C1 ZINC001311928328 1069617221 /nfs/dbraw/zinc/61/72/21/1069617221.db2.gz QZACPMSXATXJDD-OFNKIYASSA-N 1 0 455.002 3.914 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001306805737 1069617261 /nfs/dbraw/zinc/61/72/61/1069617261.db2.gz XHBIPEYAYWWSLY-RTBURBONSA-N 1 0 483.686 3.737 20 0 JHADRO Cc1ccc(SC[C@@H](C)NC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC001311927704 1069617339 /nfs/dbraw/zinc/61/73/39/1069617339.db2.gz LXHVBOOJRBCHFF-DENIHFKCSA-N 1 0 454.640 3.672 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001306806486 1069618704 /nfs/dbraw/zinc/61/87/04/1069618704.db2.gz LWBFNECMWVPIGF-QHCPKHFHSA-N 1 0 469.609 3.589 20 0 JHADRO CCCN(Cc1ccc(F)cc1C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001306808559 1069624984 /nfs/dbraw/zinc/62/49/84/1069624984.db2.gz MMYRXEUDLILERP-YADHBBJMSA-N 1 0 456.610 3.968 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001306807087 1069620825 /nfs/dbraw/zinc/62/08/25/1069620825.db2.gz NZONMGCVOIHNPM-JOCHJYFZSA-N 1 0 466.634 3.735 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001306807535 1069622183 /nfs/dbraw/zinc/62/21/83/1069622183.db2.gz WHRLHFAVGIRDQX-UHFFFAOYSA-N 1 0 463.026 3.847 20 0 JHADRO CCOc1cc(C)ccc1Cn1c(Cc2ccsc2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001314157163 1069630818 /nfs/dbraw/zinc/63/08/18/1069630818.db2.gz AMTGJNJVZZFWNJ-HXUWFJFHSA-N 1 0 469.655 3.843 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC001311951192 1069631171 /nfs/dbraw/zinc/63/11/71/1069631171.db2.gz JPWNJJKKPYJDIC-QPPBQGQZSA-N 1 0 457.640 3.970 20 0 JHADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@](C)(CO)Cc2ccc(Br)cc2)C1 ZINC001311954601 1069633257 /nfs/dbraw/zinc/63/32/57/1069633257.db2.gz GRMMDFYXZCXWSP-JTSKRJEESA-N 1 0 454.453 3.942 20 0 JHADRO CCOc1c(OC)cc(Cn2c(-c3cccnc3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC001314157964 1069633968 /nfs/dbraw/zinc/63/39/68/1069633968.db2.gz UIBINDALYHSZSM-UHFFFAOYSA-N 1 0 480.613 3.725 20 0 JHADRO CCCN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCOC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001306814701 1069635659 /nfs/dbraw/zinc/63/56/59/1069635659.db2.gz SCCGNCAHCNCSEK-FQEVSTJZSA-N 1 0 476.616 3.503 20 0 JHADRO CCOc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)n1 ZINC001314158638 1069636475 /nfs/dbraw/zinc/63/64/75/1069636475.db2.gz CZJGYUXYLYWEKB-QHCPKHFHSA-N 1 0 492.672 3.837 20 0 JHADRO C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(Br)c1 ZINC001311959381 1069637378 /nfs/dbraw/zinc/63/73/78/1069637378.db2.gz MUWYIASOXNAJNG-KDOFPFPSSA-N 1 0 450.352 3.715 20 0 JHADRO CCOc1cc(C)ccc1Cn1c(N2CC[NH+](CC3CCOCC3)CC2)nnc1C(C)(C)C ZINC001314159054 1069638572 /nfs/dbraw/zinc/63/85/72/1069638572.db2.gz FISOFOXFFQQIMW-UHFFFAOYSA-N 1 0 455.647 3.880 20 0 JHADRO CCOc1cc(C)nc(N2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC001314159507 1069640304 /nfs/dbraw/zinc/64/03/04/1069640304.db2.gz JBJITNLGVNMIPH-OAQYLSRUSA-N 1 0 484.693 3.664 20 0 JHADRO CCOc1cc(NC2CCN(c3nnc(C(C)C)n3C[C@H]3CCCC[N@@H+]3CC)CC2)ncn1 ZINC001314161382 1069647635 /nfs/dbraw/zinc/64/76/35/1069647635.db2.gz CCKPLRDKZDWVBR-HXUWFJFHSA-N 1 0 456.639 3.546 20 0 JHADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)Nc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1 ZINC001306842140 1069655678 /nfs/dbraw/zinc/65/56/78/1069655678.db2.gz LPKLTUUXAWNXBR-PXDATVDWSA-N 1 0 450.539 3.598 20 0 JHADRO CCOc1cc2c(cc1OCC)CN(c1nnc(CC(C)C)n1CC1([NH+](C)C)CCOCC1)CC2 ZINC001314164670 1069659407 /nfs/dbraw/zinc/65/94/07/1069659407.db2.gz KBVTVSQGTBCUPX-UHFFFAOYSA-N 1 0 485.673 3.948 20 0 JHADRO Cc1cc(F)ccc1N1CCC[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001312003601 1069663344 /nfs/dbraw/zinc/66/33/44/1069663344.db2.gz VBSPOBFTGNIFSG-BJKOFHAPSA-N 1 0 454.590 3.693 20 0 JHADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC001312004237 1069664010 /nfs/dbraw/zinc/66/40/10/1069664010.db2.gz XESYCYUIAAZWGX-QFBILLFUSA-N 1 0 456.450 3.687 20 0 JHADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001312011472 1069668269 /nfs/dbraw/zinc/66/82/69/1069668269.db2.gz IZWCNVHHVFUCDT-HSZRJFAPSA-N 1 0 455.002 3.921 20 0 JHADRO COc1cc([C@H](C)NC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)ccc1S(C)(=O)=O ZINC001312011331 1069668321 /nfs/dbraw/zinc/66/83/21/1069668321.db2.gz HQFKKTZQUVRDAZ-RXVVDRJESA-N 1 0 459.612 3.686 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2ccc(NC3=[NH+]CCN3)c(Cl)c2)C1 ZINC001306877279 1069670335 /nfs/dbraw/zinc/67/03/35/1069670335.db2.gz NZLUPXXQVRQFIK-ZDUSSCGKSA-N 1 0 457.909 3.542 20 0 JHADRO COc1cccc([C@H](O)C2CCN(C(=O)NCC3([NH+]4CCC(OC)CC4)CCCC3)CC2)c1 ZINC001312015740 1069671489 /nfs/dbraw/zinc/67/14/89/1069671489.db2.gz LKRRQEPIARZIBX-XMMPIXPASA-N 1 0 459.631 3.574 20 0 JHADRO COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001312015502 1069671566 /nfs/dbraw/zinc/67/15/66/1069671566.db2.gz HBBTWXOERBGDBX-UHFFFAOYSA-N 1 0 454.656 3.554 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001312017425 1069673500 /nfs/dbraw/zinc/67/35/00/1069673500.db2.gz KTUQFVDALQGGHR-TZIWHRDSSA-N 1 0 450.599 3.982 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCC[NH+]2CCC(O)CC2)cc1OC ZINC001314168677 1069673800 /nfs/dbraw/zinc/67/38/00/1069673800.db2.gz HDUZKNBDQUUNGX-OALUTQOASA-N 1 0 489.686 3.529 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(CO)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC001314169499 1069676829 /nfs/dbraw/zinc/67/68/29/1069676829.db2.gz DQBIHTVHFUTNMK-HXUWFJFHSA-N 1 0 471.646 3.826 20 0 JHADRO CO[C@@H]1C[C@@H](N(C)C(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C12CCC2 ZINC001312023950 1069677031 /nfs/dbraw/zinc/67/70/31/1069677031.db2.gz FGILDUGLDJRTMX-WOJBJXKFSA-N 1 0 454.537 3.556 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC[NH+]2CCSCC2)cc1OC ZINC001314170167 1069679824 /nfs/dbraw/zinc/67/98/24/1069679824.db2.gz QPHKNFFIHZUAFQ-ROUUACIJSA-N 1 0 477.700 3.731 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)C1 ZINC001312027767 1069683079 /nfs/dbraw/zinc/68/30/79/1069683079.db2.gz WAZULZVXXBJJMI-RPBOFIJWSA-N 1 0 450.627 3.977 20 0 JHADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001312038517 1069687607 /nfs/dbraw/zinc/68/76/07/1069687607.db2.gz WQCDBWJILRHPHJ-RTBURBONSA-N 1 0 450.421 3.524 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H]4OC(=O)O[C@H]4C3)n2CC[NH+](C(C)C)C(C)C)cc1OC ZINC001314171301 1069685300 /nfs/dbraw/zinc/68/53/00/1069685300.db2.gz BMJAHFYEZUHSGF-UNMCSNQZSA-N 1 0 487.601 3.585 20 0 JHADRO CC[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)Cc1cccc(Br)c1 ZINC001312033146 1069685510 /nfs/dbraw/zinc/68/55/10/1069685510.db2.gz KNGZZARKNFZYAH-LAUBAEHRSA-N 1 0 452.437 3.960 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@@H](COCc2ccccc2)c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001312044861 1069690257 /nfs/dbraw/zinc/69/02/57/1069690257.db2.gz NFHZNZLPBQIJGB-ZSQFBXSQSA-N 1 0 450.627 3.612 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC001314173379 1069693565 /nfs/dbraw/zinc/69/35/65/1069693565.db2.gz KVIJQSCDPRMPCD-PCCBWWKXSA-N 1 0 471.646 3.803 20 0 JHADRO C[C@H](NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c1ncc(-c2ccccc2)o1 ZINC001312058456 1069698357 /nfs/dbraw/zinc/69/83/57/1069698357.db2.gz NRVZUSLJFJXSTA-SFHVURJKSA-N 1 0 455.603 3.528 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001307004337 1069698985 /nfs/dbraw/zinc/69/89/85/1069698985.db2.gz BIIXMMGFNMJAKQ-QHCPKHFHSA-N 1 0 481.689 3.969 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@@H]2CCOC2)cc1OC ZINC001314175088 1069700308 /nfs/dbraw/zinc/70/03/08/1069700308.db2.gz CKRRTTZXPHIAMA-LJQANCHMSA-N 1 0 457.619 3.746 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCC(=O)NC)cc1OC ZINC001314175308 1069701591 /nfs/dbraw/zinc/70/15/91/1069701591.db2.gz MCIMDQSKYFVULD-LEWJYISDSA-N 1 0 498.672 3.579 20 0 JHADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC001312073299 1069706189 /nfs/dbraw/zinc/70/61/89/1069706189.db2.gz DBICQOQSNUAQHC-IRLDBZIGSA-N 1 0 455.002 3.999 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2OCC[C@H]2C)cc1OC ZINC001314176910 1069708524 /nfs/dbraw/zinc/70/85/24/1069708524.db2.gz OAWAZAQWCLKOTE-AUSIDOKSSA-N 1 0 457.619 3.555 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H](OC)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC001314177084 1069709900 /nfs/dbraw/zinc/70/99/00/1069709900.db2.gz CQINHWWVUAXTBW-IFMALSPDSA-N 1 0 471.646 3.946 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H](N4CC[NH+](CC)CC4)C3)n2CCC(C)C)cc1OC ZINC001314177289 1069710440 /nfs/dbraw/zinc/71/04/40/1069710440.db2.gz PKUBDVOYXVSMFU-QFIPXVFZSA-N 1 0 470.662 3.615 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@H]3CSC)n2CC[NH+]2CCSCC2)cc1OC ZINC001314177170 1069710562 /nfs/dbraw/zinc/71/05/62/1069710562.db2.gz SQOGPLZAQWQAJS-IBGZPJMESA-N 1 0 477.700 3.733 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ncnn2C(C)(C)C)cc1OC ZINC001314177403 1069711152 /nfs/dbraw/zinc/71/11/52/1069711152.db2.gz QVRYXEPWKBIHEC-UHFFFAOYSA-N 1 0 496.660 3.668 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(=Cc3cccc(OC)c3)CC2)C1 ZINC001307028933 1069735759 /nfs/dbraw/zinc/73/57/59/1069735759.db2.gz DMJFBXDYWXHUTA-QHCPKHFHSA-N 1 0 480.657 3.841 20 0 JHADRO CCc1ccc([C@@H](NC(=O)NCC[N@@H+]2CCC(C)(C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001312131642 1069738015 /nfs/dbraw/zinc/73/80/15/1069738015.db2.gz PHUHZSXTYZZTRU-HSZRJFAPSA-N 1 0 457.640 3.773 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(CC)CC)nnc2N2CCOC[C@@H](C3CCC3)C2)CC1 ZINC001307029584 1069737046 /nfs/dbraw/zinc/73/70/46/1069737046.db2.gz NLYVNQMGEXBGHH-QFIPXVFZSA-N 1 0 474.694 3.571 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[C@H](C3CCOCC3)C2)CC1 ZINC001307029578 1069737278 /nfs/dbraw/zinc/73/72/78/1069737278.db2.gz NLFWMFLICSISLT-QFIPXVFZSA-N 1 0 474.694 3.571 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@H](C)[C@@H](OC)C2)C1 ZINC001307029440 1069737286 /nfs/dbraw/zinc/73/72/86/1069737286.db2.gz LSNJTYGJNYJCFP-RRPUWOKSSA-N 1 0 468.646 3.740 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)CC2CCOCC2)CC1 ZINC001307030760 1069739379 /nfs/dbraw/zinc/73/93/79/1069739379.db2.gz DEBOTJXVTCVIEJ-UHFFFAOYSA-N 1 0 471.646 3.947 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001307031055 1069740076 /nfs/dbraw/zinc/74/00/76/1069740076.db2.gz HQOQFLKMPAQVIY-NVXWUHKLSA-N 1 0 466.399 3.804 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)CC2CCOCC2)CC1 ZINC001307032294 1069744092 /nfs/dbraw/zinc/74/40/92/1069744092.db2.gz RQKWBZUJHMWOED-UHFFFAOYSA-N 1 0 471.646 3.947 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CCN2CCOCC2)C1 ZINC001307032517 1069744764 /nfs/dbraw/zinc/74/47/64/1069744764.db2.gz CUVIWOFSSFUPTO-JOCHJYFZSA-N 1 0 468.690 3.743 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001307032971 1069747093 /nfs/dbraw/zinc/74/70/93/1069747093.db2.gz GVVNTEFKBJXYRT-UHFFFAOYSA-N 1 0 490.599 3.773 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCC2CC[NH+](CC)CC2)cc1 ZINC001314191296 1069752456 /nfs/dbraw/zinc/75/24/56/1069752456.db2.gz KWEXUESOTBGSBZ-RTWAWAEBSA-N 1 0 498.672 3.606 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](CC)O[C@@H](C)C2)C1 ZINC001307035338 1069752590 /nfs/dbraw/zinc/75/25/90/1069752590.db2.gz SHWKSMQCFYYLHU-XYJFISCASA-N 1 0 465.440 3.771 20 0 JHADRO CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C3CCOCC3)CC2)cc1OC ZINC001314190385 1069749478 /nfs/dbraw/zinc/74/94/78/1069749478.db2.gz SNLKZBOQNGZVON-UHFFFAOYSA-N 1 0 471.646 3.623 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](COCC)C2)C1 ZINC001307035520 1069753800 /nfs/dbraw/zinc/75/38/00/1069753800.db2.gz VPJXUNHJRLTLRF-IRXDYDNUSA-N 1 0 465.440 3.630 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(C)C)nnc2N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)C1 ZINC001307037127 1069758285 /nfs/dbraw/zinc/75/82/85/1069758285.db2.gz SLKFRSLAFSFCRC-RTWAWAEBSA-N 1 0 453.635 3.692 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@H](CCOC)C2)C1 ZINC001307036208 1069756348 /nfs/dbraw/zinc/75/63/48/1069756348.db2.gz MXYZLEMBZDXYBL-FGZHOGPDSA-N 1 0 468.646 3.742 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCC[NH+]2CCCC2)cc1 ZINC001314193265 1069760221 /nfs/dbraw/zinc/76/02/21/1069760221.db2.gz ZNNXWJVEFMPUNR-NJDAHSKKSA-N 1 0 457.619 3.916 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCSC(CC)(CC)C2)C1 ZINC001307038263 1069760521 /nfs/dbraw/zinc/76/05/21/1069760521.db2.gz ZTQQVUQHAWCVOB-LJQANCHMSA-N 1 0 471.675 3.769 20 0 JHADRO CCOc1ccccc1C(=O)N1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC001312166638 1069760526 /nfs/dbraw/zinc/76/05/26/1069760526.db2.gz SUSYXXPURCVBFG-NRFANRHFSA-N 1 0 458.990 3.509 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001314193447 1069760645 /nfs/dbraw/zinc/76/06/45/1069760645.db2.gz KZFVGZLOWCMIGQ-GNMOFYLKSA-N 1 0 498.672 3.639 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC)nnc2N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)CC1 ZINC001307038477 1069761633 /nfs/dbraw/zinc/76/16/33/1069761633.db2.gz FLQWXXNBIQUXBO-OAQYLSRUSA-N 1 0 453.635 3.521 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC)nnc2N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC001307039066 1069762739 /nfs/dbraw/zinc/76/27/39/1069762739.db2.gz PCELBKCKBRJTIR-SFTDATJTSA-N 1 0 460.667 3.798 20 0 JHADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(C(N)=O)o1)[NH+](C)C ZINC001312169573 1069763118 /nfs/dbraw/zinc/76/31/18/1069763118.db2.gz MTCVJBWEDZYLJV-SFHVURJKSA-N 1 0 455.386 3.983 20 0 JHADRO CCNC(=O)COc1cccc(CNC(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC001312171149 1069764115 /nfs/dbraw/zinc/76/41/15/1069764115.db2.gz CMRJWBYTQNPZSF-NZQKXSOJSA-N 1 0 452.599 3.569 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001307041208 1069768611 /nfs/dbraw/zinc/76/86/11/1069768611.db2.gz GXJWSIYIBZNPKO-UHFFFAOYSA-N 1 0 479.677 3.812 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001307041705 1069769861 /nfs/dbraw/zinc/76/98/61/1069769861.db2.gz CTLDLOVWCGFXQP-QFIPXVFZSA-N 1 0 458.695 3.731 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001307041787 1069769871 /nfs/dbraw/zinc/76/98/71/1069769871.db2.gz LZVUNHXKAVYPQK-MRXNPFEDSA-N 1 0 482.576 3.700 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CCOCC)CC1 ZINC001307043439 1069774325 /nfs/dbraw/zinc/77/43/25/1069774325.db2.gz PHRUIGMLYPDOKW-QFIPXVFZSA-N 1 0 492.709 3.987 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001307043385 1069774570 /nfs/dbraw/zinc/77/45/70/1069774570.db2.gz JWCFFYHYMQYMPZ-MOPGFXCFSA-N 1 0 499.603 3.567 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC3CC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001307042391 1069772269 /nfs/dbraw/zinc/77/22/69/1069772269.db2.gz ZOIIXIMHAUMYPV-JOCHJYFZSA-N 1 0 457.585 3.882 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001307043585 1069775261 /nfs/dbraw/zinc/77/52/61/1069775261.db2.gz ROMDQCFPGGIIGT-FCHUYYIVSA-N 1 0 490.693 3.740 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3nn(CC)c(=O)c4ccccc43)nnc2N(C)CCC(F)(F)F)C1 ZINC001307043622 1069775372 /nfs/dbraw/zinc/77/53/72/1069775372.db2.gz RZXJWLGQXYJKQX-QGZVFWFLSA-N 1 0 491.562 3.795 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC001307043988 1069776399 /nfs/dbraw/zinc/77/63/99/1069776399.db2.gz NJTNRCZGSCMFGY-FGZHOGPDSA-N 1 0 490.693 3.645 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CCC(F)(F)F)C1 ZINC001307043869 1069776544 /nfs/dbraw/zinc/77/65/44/1069776544.db2.gz UVRMWAFQBUIQLT-HNNXBMFYSA-N 1 0 463.508 3.714 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N(CCCO)[C@@H]1CCCc2ccccc21 ZINC001312203666 1069778991 /nfs/dbraw/zinc/77/89/91/1069778991.db2.gz DRNMVGMCRXXLLS-AREMUKBSSA-N 1 0 451.611 3.615 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@H](C(=O)NC)C3)n2C[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001314198399 1069783455 /nfs/dbraw/zinc/78/34/55/1069783455.db2.gz PQKSFWQGZBFWAL-BHIFYINESA-N 1 0 498.672 3.654 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCOCC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001314198622 1069784016 /nfs/dbraw/zinc/78/40/16/1069784016.db2.gz BNOYGZRUWONAMR-HXUWFJFHSA-N 1 0 487.645 3.543 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCNC(C)=O)CC1 ZINC001307046171 1069784430 /nfs/dbraw/zinc/78/44/30/1069784430.db2.gz SGUUEAMNYGUITO-SFHVURJKSA-N 1 0 472.703 3.968 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Br)s3)n2C[C@]2(OC)CCOC2)CC1 ZINC001307044971 1069780407 /nfs/dbraw/zinc/78/04/07/1069780407.db2.gz CCBFELHUXXUCSE-OAQYLSRUSA-N 1 0 498.491 3.885 20 0 JHADRO CCc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)CC2)ncn1 ZINC001312211188 1069784498 /nfs/dbraw/zinc/78/44/98/1069784498.db2.gz BIQGZCATGCNPKY-HSZRJFAPSA-N 1 0 450.631 3.608 20 0 JHADRO CN(C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001312205744 1069781450 /nfs/dbraw/zinc/78/14/50/1069781450.db2.gz MXGHIRWUGFZPDV-NOZRDPDXSA-N 1 0 455.574 3.844 20 0 JHADRO CCOc1ccc2c(c1)CN(c1nnc(Cn3nc(C)cc3C)n1C[C@@H](C)[NH+](CC)CC)CC2 ZINC001314199077 1069786467 /nfs/dbraw/zinc/78/64/67/1069786467.db2.gz MJIJNWOEELTRHL-OAQYLSRUSA-N 1 0 465.646 3.831 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(C(=O)NC)CC2)C1 ZINC001307047219 1069788495 /nfs/dbraw/zinc/78/84/95/1069788495.db2.gz RIGICWPKWYYHTP-FQEVSTJZSA-N 1 0 470.687 3.573 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001312218639 1069788956 /nfs/dbraw/zinc/78/89/56/1069788956.db2.gz GXBNOUUGPNKFMK-ANOHMMARSA-N 1 0 456.631 3.650 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N(CCOC)Cc3ccc4c(c3)OCO4)nnc2C(C)(C)C)C1 ZINC001307047753 1069791400 /nfs/dbraw/zinc/79/14/00/1069791400.db2.gz ZGXLBRIVBLUFPV-FQEVSTJZSA-N 1 0 457.619 3.689 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001307047996 1069792047 /nfs/dbraw/zinc/79/20/47/1069792047.db2.gz JAHXRCNPXOTLGX-UHFFFAOYSA-N 1 0 470.021 3.702 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2Cc2ccc(OC)nc2)CC1 ZINC001307048177 1069793423 /nfs/dbraw/zinc/79/34/23/1069793423.db2.gz PGPLFIYMRRCRAD-UHFFFAOYSA-N 1 0 452.578 3.771 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc([C@H](C)O)cc2)CC1 ZINC001307049019 1069796068 /nfs/dbraw/zinc/79/60/68/1069796068.db2.gz GVMGKZYEMGXBQC-IDISGSTGSA-N 1 0 485.673 3.731 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)cc2C)CC1 ZINC001307049511 1069797294 /nfs/dbraw/zinc/79/72/94/1069797294.db2.gz MYOCEQUPDXTFTD-UHFFFAOYSA-N 1 0 461.614 3.901 20 0 JHADRO CO[C@H](CNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1Cl ZINC001312236841 1069798261 /nfs/dbraw/zinc/79/82/61/1069798261.db2.gz OIHKZSZKXKZFHL-ZJSXRUAMSA-N 1 0 457.018 3.629 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001307051689 1069804855 /nfs/dbraw/zinc/80/48/55/1069804855.db2.gz RYEDVNNMIZKRFM-XIFFEERXSA-N 1 0 479.666 3.854 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001307051991 1069806627 /nfs/dbraw/zinc/80/66/27/1069806627.db2.gz WDXQRMSFMBZMJQ-DHIUTWEWSA-N 1 0 484.689 3.563 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3n[nH]c(=O)c4ccccc43)n2C[C@@H](OC)[C@@H](C)CC)CC1 ZINC001307051970 1069806837 /nfs/dbraw/zinc/80/68/37/1069806837.db2.gz PJQLYTCWVCCAJB-PGRDOPGGSA-N 1 0 481.645 3.966 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCc2ccccc2OCC)CC1 ZINC001307052316 1069807531 /nfs/dbraw/zinc/80/75/31/1069807531.db2.gz XIOKOTATIDGIRZ-UHFFFAOYSA-N 1 0 451.619 3.631 20 0 JHADRO C[C@@H]1C[C@@H](NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312249718 1069808390 /nfs/dbraw/zinc/80/83/90/1069808390.db2.gz ABSNFYAZQNVSGL-NTKDMRAZSA-N 1 0 452.574 3.527 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccsc3)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001307052847 1069809485 /nfs/dbraw/zinc/80/94/85/1069809485.db2.gz GRQRUDNVCWKULZ-UHFFFAOYSA-N 1 0 480.682 3.900 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@H]3[C@@H]3CCCO3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001314204007 1069810204 /nfs/dbraw/zinc/81/02/04/1069810204.db2.gz XSJNFRKXDNFGGQ-NNLJWKLDSA-N 1 0 457.619 3.915 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@H]3[C@H]3CCCO3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001314204008 1069810369 /nfs/dbraw/zinc/81/03/69/1069810369.db2.gz XSJNFRKXDNFGGQ-TWRVUUBYSA-N 1 0 457.619 3.915 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001307052896 1069810467 /nfs/dbraw/zinc/81/04/67/1069810467.db2.gz ITHVHZCCTWYBCX-ZWKOTPCHSA-N 1 0 462.639 3.718 20 0 JHADRO Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(N2CCOCC2)c1 ZINC001312252071 1069811082 /nfs/dbraw/zinc/81/10/82/1069811082.db2.gz UEWIIGMDRRQVNM-DEOSSOPVSA-N 1 0 450.627 3.933 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001307053700 1069813632 /nfs/dbraw/zinc/81/36/32/1069813632.db2.gz JMIKQXQRCDCRFT-MJGOQNOKSA-N 1 0 474.679 3.763 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001307053698 1069813915 /nfs/dbraw/zinc/81/39/15/1069813915.db2.gz JMIKQXQRCDCRFT-HKUYNNGSSA-N 1 0 474.679 3.763 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001307054662 1069817261 /nfs/dbraw/zinc/81/72/61/1069817261.db2.gz KSNNGWLPIUIWHD-ICSRJNTNSA-N 1 0 489.462 3.674 20 0 JHADRO CCOc1ccccc1C(=O)N1CCN(c2nnc(C3CCC3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001314207883 1069822087 /nfs/dbraw/zinc/82/20/87/1069822087.db2.gz DPABWHOHPJISSZ-UHFFFAOYSA-N 1 0 468.646 3.637 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccc(F)c2)CC1 ZINC001307055710 1069822207 /nfs/dbraw/zinc/82/22/07/1069822207.db2.gz OFIGQMHVIOZIOW-IBGZPJMESA-N 1 0 491.677 3.608 20 0 JHADRO CCOc1ccccc1C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001314207888 1069822557 /nfs/dbraw/zinc/82/25/57/1069822557.db2.gz DSUHUSMXHBCTST-UHFFFAOYSA-N 1 0 493.656 3.753 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCCO3)n2Cc2c(CC)nn(C)c2CC)CC1 ZINC001307055328 1069821102 /nfs/dbraw/zinc/82/11/02/1069821102.db2.gz LHJCRCNPURGAAR-HSZRJFAPSA-N 1 0 457.667 3.737 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001307056424 1069826948 /nfs/dbraw/zinc/82/69/48/1069826948.db2.gz SSFKDIJCOPAPRY-OFNKIYASSA-N 1 0 498.672 3.674 20 0 JHADRO COc1cc(CCNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(OC)c1OCc1ccccc1 ZINC001312272692 1069828583 /nfs/dbraw/zinc/82/85/83/1069828583.db2.gz IGHGINWXOGZQKP-RXVVDRJESA-N 1 0 453.583 3.750 20 0 JHADRO CCOc1ccccc1C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001314209276 1069827291 /nfs/dbraw/zinc/82/72/91/1069827291.db2.gz TUVVIHSFKVLEHX-NRFANRHFSA-N 1 0 484.689 3.913 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307056557 1069828104 /nfs/dbraw/zinc/82/81/04/1069828104.db2.gz BDURIPDKFGALPV-NHCUHLMSSA-N 1 0 460.667 3.989 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)[C@H]1CC ZINC001307056607 1069828749 /nfs/dbraw/zinc/82/87/49/1069828749.db2.gz UTDLQBOFKLOPEB-VQTJNVASSA-N 1 0 489.462 3.687 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(NC(C)=O)CC1 ZINC001307056602 1069828936 /nfs/dbraw/zinc/82/89/36/1069828936.db2.gz USWRLJGFEVKJHA-KNQAVFIVSA-N 1 0 486.636 3.927 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2cccc(C)c2)CC1 ZINC001307056972 1069830396 /nfs/dbraw/zinc/83/03/96/1069830396.db2.gz UMBYTXRJTPIYKW-RBBKRZOGSA-N 1 0 473.687 3.603 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2SC)CC1 ZINC001307056948 1069831059 /nfs/dbraw/zinc/83/10/59/1069831059.db2.gz TZSJNRZMQVGFPL-FQEVSTJZSA-N 1 0 491.727 3.569 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307057049 1069831659 /nfs/dbraw/zinc/83/16/59/1069831659.db2.gz VCSXQRMMERAZCE-FCHUYYIVSA-N 1 0 473.687 3.922 20 0 JHADRO CCOc1ccccc1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001314210422 1069831949 /nfs/dbraw/zinc/83/19/49/1069831949.db2.gz OJXZGXQXFHUOQC-NRFANRHFSA-N 1 0 482.673 3.712 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(C(C)C)n3CC[N@H+](C)Cc3ccccc3)CC2)n1 ZINC001314210890 1069833670 /nfs/dbraw/zinc/83/36/70/1069833670.db2.gz DIRKFZNVCZVQGM-UHFFFAOYSA-N 1 0 463.630 3.654 20 0 JHADRO CCOc1ccccc1C(=O)N1CCN(c2nnc(CC)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001314210617 1069832308 /nfs/dbraw/zinc/83/23/08/1069832308.db2.gz QLVWFPFUUOSTFR-FGZHOGPDSA-N 1 0 496.700 3.958 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cscn1 ZINC001307057625 1069834680 /nfs/dbraw/zinc/83/46/80/1069834680.db2.gz XTVCPTZBEPTQOB-FQEVSTJZSA-N 1 0 488.683 3.706 20 0 JHADRO COc1ccc(CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C2CCCCC2)cc1OC ZINC001312280462 1069834701 /nfs/dbraw/zinc/83/47/01/1069834701.db2.gz FCAXXCDCABKJDM-GOTSBHOMSA-N 1 0 459.631 3.926 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001307057647 1069835811 /nfs/dbraw/zinc/83/58/11/1069835811.db2.gz WMRVBMNQXWJVTH-LJQANCHMSA-N 1 0 474.650 3.834 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001307057889 1069837243 /nfs/dbraw/zinc/83/72/43/1069837243.db2.gz KRQJXUMKHBTLKB-OYFQZXGASA-N 1 0 473.687 3.981 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001307058223 1069838306 /nfs/dbraw/zinc/83/83/06/1069838306.db2.gz YQAGZBOSSOZSLR-JOCHJYFZSA-N 1 0 489.064 3.594 20 0 JHADRO CCOc1ccccc1OCc1nnc(N(C)[C@@H]2CCOC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314215046 1069845433 /nfs/dbraw/zinc/84/54/33/1069845433.db2.gz FRJBQPCDTIVOQV-YPCDYVTLSA-N 1 0 471.646 3.991 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H](OC)C(C)(C)C ZINC001314215233 1069846688 /nfs/dbraw/zinc/84/66/88/1069846688.db2.gz DDFSJAMJRFKDPO-JTAQYXEDSA-N 1 0 471.646 3.990 20 0 JHADRO CCOc1ccccc1N1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001314215581 1069847899 /nfs/dbraw/zinc/84/78/99/1069847899.db2.gz MBJZNFJDOIMNMO-XMMPIXPASA-N 1 0 470.662 3.974 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001307061385 1069852011 /nfs/dbraw/zinc/85/20/11/1069852011.db2.gz GITWHXWCBSMQCS-NHCUHLMSSA-N 1 0 485.677 3.994 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1=O ZINC001307060583 1069850003 /nfs/dbraw/zinc/85/00/03/1069850003.db2.gz AAZYFXLTQMGOMJ-SFHVURJKSA-N 1 0 489.462 3.641 20 0 JHADRO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)[NH+](C)C)cc1 ZINC001312308867 1069852387 /nfs/dbraw/zinc/85/23/87/1069852387.db2.gz DOMSBRXMBKYJPD-FYYLOGMGSA-N 1 0 456.562 3.710 20 0 JHADRO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)[NH+](C)C)cc1 ZINC001312308870 1069853407 /nfs/dbraw/zinc/85/34/07/1069853407.db2.gz DOMSBRXMBKYJPD-JTHBVZDNSA-N 1 0 456.562 3.710 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001314218663 1069859540 /nfs/dbraw/zinc/85/95/40/1069859540.db2.gz VUGHHWDRAIDIHC-FGZHOGPDSA-N 1 0 485.673 3.973 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001307063308 1069862377 /nfs/dbraw/zinc/86/23/77/1069862377.db2.gz PRNPEZHYZIAQLA-ZRBLBEILSA-N 1 0 484.689 3.764 20 0 JHADRO Cc1cc([C@H](NC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C2CC2)ccc1F ZINC001312323677 1069863735 /nfs/dbraw/zinc/86/37/35/1069863735.db2.gz HNXLCKOWVXMUCI-XMMPIXPASA-N 1 0 452.574 3.782 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(CC)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001307064098 1069864459 /nfs/dbraw/zinc/86/44/59/1069864459.db2.gz JGUKHUZXOYQVCN-NRFANRHFSA-N 1 0 452.647 3.688 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCC(C)CC2)CC1=O ZINC001307064134 1069865190 /nfs/dbraw/zinc/86/51/90/1069865190.db2.gz KUOBYUFSLAYXKI-UHFFFAOYSA-N 1 0 474.053 3.564 20 0 JHADRO CC(C)(CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1Br ZINC001312331026 1069868534 /nfs/dbraw/zinc/86/85/34/1069868534.db2.gz NQMYZYNPXWRXCX-UHFFFAOYSA-N 1 0 452.437 3.871 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC001307065288 1069870063 /nfs/dbraw/zinc/87/00/63/1069870063.db2.gz MHXSYDLVDPUCRS-JOCHJYFZSA-N 1 0 488.627 3.716 20 0 JHADRO CCOC(=O)c1csc([C@H]2CCCN2C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)n1 ZINC001312335577 1069870964 /nfs/dbraw/zinc/87/09/64/1069870964.db2.gz DDFZFGBEXBANEC-OXJNMPFZSA-N 1 0 457.600 3.787 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001307066898 1069876301 /nfs/dbraw/zinc/87/63/01/1069876301.db2.gz KYPAJHYPQQQCJW-PMACEKPBSA-N 1 0 478.682 3.570 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314222504 1069876915 /nfs/dbraw/zinc/87/69/15/1069876915.db2.gz NPDKIGKNSYFZCB-FSSWDIPSSA-N 1 0 499.656 3.766 20 0 JHADRO CCCN1CCCN(c2nnc(-c3c[nH]c4ccccc34)n2CC[NH+](C(C)C)C(C)C)CC1=O ZINC001307068780 1069880124 /nfs/dbraw/zinc/88/01/24/1069880124.db2.gz YREDOYZDLKQMOX-UHFFFAOYSA-N 1 0 465.646 3.994 20 0 JHADRO 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CCOCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001314284789 1070055878 /nfs/dbraw/zinc/05/58/78/1070055878.db2.gz MHVPKGLHCFYGAL-UHFFFAOYSA-N 1 0 457.667 3.834 20 0 JHADRO C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)NC(=O)OC(C)(C)C ZINC001312644712 1070059710 /nfs/dbraw/zinc/05/97/10/1070059710.db2.gz PAUGNTMEWMKFIT-INIZCTEOSA-N 1 0 458.525 3.836 20 0 JHADRO CCOCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314286532 1070060157 /nfs/dbraw/zinc/06/01/57/1070060157.db2.gz MWOKCKZKOCOQOJ-XZOQPEGZSA-N 1 0 455.647 3.946 20 0 JHADRO CCOCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314286529 1070060515 /nfs/dbraw/zinc/06/05/15/1070060515.db2.gz MWOKCKZKOCOQOJ-DHIUTWEWSA-N 1 0 455.647 3.946 20 0 JHADRO Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)NC[C@@H]4[N@H+](C)CCCC4(C)C)CC3)n2)cc1 ZINC001312647847 1070061660 /nfs/dbraw/zinc/06/16/60/1070061660.db2.gz HJLBDHKQYUWWJA-FPOVZHCZSA-N 1 0 454.619 3.554 20 0 JHADRO CCOCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001314286064 1070058623 /nfs/dbraw/zinc/05/86/23/1070058623.db2.gz LSCDQACGHHZBOX-HSZRJFAPSA-N 1 0 455.647 3.947 20 0 JHADRO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)c1ccccc1 ZINC001307572432 1070059356 /nfs/dbraw/zinc/05/93/56/1070059356.db2.gz XMBYQMQXQVKKEO-JFIYKMOQSA-N 1 0 459.388 3.761 20 0 JHADRO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001307584823 1070064067 /nfs/dbraw/zinc/06/40/67/1070064067.db2.gz BGGPVCSHZLZTHL-MRXNPFEDSA-N 1 0 450.555 3.831 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC001307584865 1070064510 /nfs/dbraw/zinc/06/45/10/1070064510.db2.gz CMVMWQQXUOOQAM-XZOQPEGZSA-N 1 0 459.631 3.821 20 0 JHADRO CCO[C@H](C)c1nc(CN2CCN(C(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)CC2)cs1 ZINC001312657771 1070066422 /nfs/dbraw/zinc/06/64/22/1070066422.db2.gz NMMBAUYRILICQM-NNMXDRDESA-N 1 0 459.660 3.759 20 0 JHADRO CCOCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001314287325 1070062629 /nfs/dbraw/zinc/06/26/29/1070062629.db2.gz QOTXMHACTCHDOJ-OAQYLSRUSA-N 1 0 492.709 3.986 20 0 JHADRO CCOCC(C)(C)Cn1c(N2CC[NH+](C3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001314290069 1070069645 /nfs/dbraw/zinc/06/96/45/1070069645.db2.gz RFDHKEOJOWBEQN-AREMUKBSSA-N 1 0 477.694 3.836 20 0 JHADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C)[NH+](C)C ZINC001312659543 1070067571 /nfs/dbraw/zinc/06/75/71/1070067571.db2.gz KBLIERKHZHIWTC-JKBKZWBZSA-N 1 0 450.599 3.975 20 0 JHADRO CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1 ZINC001312671040 1070072655 /nfs/dbraw/zinc/07/26/55/1070072655.db2.gz LOLKSNNPKHDPBR-QNIAMRLHSA-N 1 0 455.624 3.705 20 0 JHADRO CCOCc1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314292076 1070072622 /nfs/dbraw/zinc/07/26/22/1070072622.db2.gz IULHZCKFKNEAOF-WOJBJXKFSA-N 1 0 491.702 3.926 20 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CCOCc1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314298009 1070081288 /nfs/dbraw/zinc/08/12/88/1070081288.db2.gz XVBUPMLSIUKRHC-STEQJIOHSA-N 1 0 482.673 3.844 20 0 JHADRO CCOCc1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314299895 1070083510 /nfs/dbraw/zinc/08/35/10/1070083510.db2.gz ZYXHEALMIPOLNI-HDICACEKSA-N 1 0 492.615 3.924 20 0 JHADRO C[C@H](Cc1cccc(O)c1)NC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001312689338 1070083621 /nfs/dbraw/zinc/08/36/21/1070083621.db2.gz CAZHBDQHCKVLEM-LJQANCHMSA-N 1 0 457.018 3.973 20 0 JHADRO CCOCc1nnc(N(C)Cc2cc3ccccc3[nH]2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314301324 1070085545 /nfs/dbraw/zinc/08/55/45/1070085545.db2.gz SLEHQXZPHVRZQK-OALUTQOASA-N 1 0 454.619 3.820 20 0 JHADRO CCOCc1nnc(N(C)Cc2cc(C)cs2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001314301697 1070086008 /nfs/dbraw/zinc/08/60/08/1070086008.db2.gz VTJSAJWGUAGYQS-UHFFFAOYSA-N 1 0 469.655 3.826 20 0 JHADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc3cccc(N4CCCC4=O)c3)ccc2NC1=O ZINC001307625924 1070086980 /nfs/dbraw/zinc/08/69/80/1070086980.db2.gz FVHSBOXUPOTYEV-ZOCZFRKYSA-N 1 0 450.539 3.601 20 0 JHADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3cccc(N4CCCC4=O)c3)ccc2NC1=O ZINC001307625922 1070087300 /nfs/dbraw/zinc/08/73/00/1070087300.db2.gz FVHSBOXUPOTYEV-QYWGDWMGSA-N 1 0 450.539 3.601 20 0 JHADRO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@@H](CC(C)C)c2ccc(Cl)cc2)C1=O ZINC001307626113 1070087324 /nfs/dbraw/zinc/08/73/24/1070087324.db2.gz WSBYHVVERWEJBR-GBXCKJPGSA-N 1 0 456.974 3.905 20 0 JHADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sccc2C(N)=O)ccc1OCc1ccncc1 ZINC001307631811 1070090296 /nfs/dbraw/zinc/09/02/96/1070090296.db2.gz MMHKQFKVLYQCIK-CABCVRRESA-N 1 0 454.552 3.507 20 0 JHADRO C[C@H]([NH2+]CC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccc(OCc2cccnc2)cc1 ZINC001307631335 1070090501 /nfs/dbraw/zinc/09/05/01/1070090501.db2.gz PYTZMSDDRCDLCK-FQEVSTJZSA-N 1 0 458.562 3.754 20 0 JHADRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](CN2CCOCC2)c2ccc(C)cc2)cc1 ZINC001307641951 1070096984 /nfs/dbraw/zinc/09/69/84/1070096984.db2.gz ZXSGMKWRNSFFPW-CLJLJLNGSA-N 1 0 451.611 3.720 20 0 JHADRO O=C(NC/C=C/c1ccc(Br)cc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001312755510 1070105048 /nfs/dbraw/zinc/10/50/48/1070105048.db2.gz OXLZNSCOBLLKIZ-HNQUOIGGSA-N 1 0 450.421 3.996 20 0 JHADRO CCOCc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001314320955 1070106311 /nfs/dbraw/zinc/10/63/11/1070106311.db2.gz ZBFXKXPKLVRAIK-MIZPHKNDSA-N 1 0 498.672 3.611 20 0 JHADRO CCOCc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001314320957 1070106562 /nfs/dbraw/zinc/10/65/62/1070106562.db2.gz ZBFXKXPKLVRAIK-SXWKCWPCSA-N 1 0 498.672 3.611 20 0 JHADRO COc1ccc(CCNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(Cl)c1OC ZINC001312757590 1070106774 /nfs/dbraw/zinc/10/67/74/1070106774.db2.gz KHAXSIXATUMFKP-UHFFFAOYSA-N 1 0 451.917 3.958 20 0 JHADRO CCOCc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314323977 1070109504 /nfs/dbraw/zinc/10/95/04/1070109504.db2.gz UHMRFMIEHBILOO-FKEBYFGASA-N 1 0 471.646 3.669 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314326972 1070114424 /nfs/dbraw/zinc/11/44/24/1070114424.db2.gz YHPZUXCALZZRFZ-JOCHJYFZSA-N 1 0 469.630 3.740 20 0 JHADRO COC(=O)c1cc(Br)c(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc1OC ZINC001307666583 1070111955 /nfs/dbraw/zinc/11/19/55/1070111955.db2.gz FQKORVBQBLJDME-INIZCTEOSA-N 1 0 457.365 3.637 20 0 JHADRO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH2+]C(C)(C)CC(N)=O)cc1 ZINC001307667884 1070113044 /nfs/dbraw/zinc/11/30/44/1070113044.db2.gz BGGYZWHPGOGVPH-XMMPIXPASA-N 1 0 458.562 3.770 20 0 JHADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n(-c2ccc(F)cc2)n1 ZINC001307669490 1070113686 /nfs/dbraw/zinc/11/36/86/1070113686.db2.gz HCQVNXWHLBWDOT-ZWKOTPCHSA-N 1 0 459.566 3.884 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001314328530 1070117556 /nfs/dbraw/zinc/11/75/56/1070117556.db2.gz NZFJGDVGOWHHDR-UHFFFAOYSA-N 1 0 482.673 3.542 20 0 JHADRO COC(=O)CC[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1cccc(Br)c1 ZINC001307680340 1070121175 /nfs/dbraw/zinc/12/11/75/1070121175.db2.gz SNONQPHHSZIEOO-UHFFFAOYSA-N 1 0 452.324 3.564 20 0 JHADRO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001307683294 1070123721 /nfs/dbraw/zinc/12/37/21/1070123721.db2.gz KWJJZKNSPFSIOI-MRXNPFEDSA-N 1 0 457.575 3.709 20 0 JHADRO CCOCc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314333609 1070128770 /nfs/dbraw/zinc/12/87/70/1070128770.db2.gz JHZQUUKVFSXSOC-SPEDKVCISA-N 1 0 475.600 3.712 20 0 JHADRO C[NH+]1CCC2(CCN(C(=O)NCc3cccc(-c4nc(CC(F)(F)F)no4)c3)CC2)CC1 ZINC001312801350 1070130623 /nfs/dbraw/zinc/13/06/23/1070130623.db2.gz QBWQMTZPZQFIAH-UHFFFAOYSA-N 1 0 451.493 3.859 20 0 JHADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001307693839 1070130740 /nfs/dbraw/zinc/13/07/40/1070130740.db2.gz YBECCLFNFMHWOP-BOFPYLFWSA-N 1 0 455.502 3.606 20 0 JHADRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307694520 1070131720 /nfs/dbraw/zinc/13/17/20/1070131720.db2.gz VEOGTRYMUXMCPO-MOPGFXCFSA-N 1 0 451.633 3.866 20 0 JHADRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001307694385 1070131882 /nfs/dbraw/zinc/13/18/82/1070131882.db2.gz QFHICHVRYRTOJL-DLBZAZTESA-N 1 0 458.584 3.786 20 0 JHADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307694522 1070131925 /nfs/dbraw/zinc/13/19/25/1070131925.db2.gz VEOGTRYMUXMCPO-RBUKOAKNSA-N 1 0 451.633 3.866 20 0 JHADRO O=C(NCc1ccncc1OC[C@@H]1CCOC1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001312817116 1070139671 /nfs/dbraw/zinc/13/96/71/1070139671.db2.gz SYIGGOBVMDMYEY-DHIUTWEWSA-N 1 0 452.599 3.598 20 0 JHADRO C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC001307720157 1070145178 /nfs/dbraw/zinc/14/51/78/1070145178.db2.gz VCNDASSCICZEGI-OXJNMPFZSA-N 1 0 459.384 3.973 20 0 JHADRO C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC001307720156 1070145242 /nfs/dbraw/zinc/14/52/42/1070145242.db2.gz VCNDASSCICZEGI-JXFKEZNVSA-N 1 0 459.384 3.973 20 0 JHADRO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)n[nH]1 ZINC001307722634 1070146910 /nfs/dbraw/zinc/14/69/10/1070146910.db2.gz VADVFPXCPYDEOJ-SFHVURJKSA-N 1 0 456.591 3.654 20 0 JHADRO CCO[C@H]1C[C@](CO)(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1(C)C ZINC001312838438 1070148001 /nfs/dbraw/zinc/14/80/01/1070148001.db2.gz FKMCQROVZIXKLX-AALWMKDKSA-N 1 0 469.601 3.659 20 0 JHADRO Cc1cccc(OC[C@@H](O)CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001312841080 1070150356 /nfs/dbraw/zinc/15/03/56/1070150356.db2.gz YZHPKDXXFLUHBX-DOEKTCAHSA-N 1 0 477.580 3.841 20 0 JHADRO COCc1cccc(CNC(=O)C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1 ZINC001307730387 1070154065 /nfs/dbraw/zinc/15/40/65/1070154065.db2.gz YAYSYTHHUIIBCU-UHFFFAOYSA-N 1 0 452.473 3.643 20 0 JHADRO CCOCc1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001314347982 1070156636 /nfs/dbraw/zinc/15/66/36/1070156636.db2.gz YLNZMBJKSCYYPM-LJQANCHMSA-N 1 0 467.536 3.869 20 0 JHADRO CCOCc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCc1ccccc1C(F)(F)F ZINC001314347469 1070155268 /nfs/dbraw/zinc/15/52/68/1070155268.db2.gz OHZDFEYYGQKCBG-NRFANRHFSA-N 1 0 494.606 3.681 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@@H](C[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)c2ccccc2)cc1 ZINC001307742336 1070161246 /nfs/dbraw/zinc/16/12/46/1070161246.db2.gz PJYFODFKFPETGA-BJKOFHAPSA-N 1 0 451.592 3.563 20 0 JHADRO CCOCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314348113 1070156887 /nfs/dbraw/zinc/15/68/87/1070156887.db2.gz CJWGIUMITZSFAD-NHCUHLMSSA-N 1 0 456.635 3.686 20 0 JHADRO CN1c2cc(Br)ccc2N(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC001307735158 1070157962 /nfs/dbraw/zinc/15/79/62/1070157962.db2.gz WMRSRVJLCKJESW-OAQYLSRUSA-N 1 0 459.432 3.903 20 0 JHADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)NC3(c4ccc(F)cc4)CCCC3)cc2)CC1 ZINC001312866680 1070159905 /nfs/dbraw/zinc/15/99/05/1070159905.db2.gz XAZQWTDZHZQFFC-UHFFFAOYSA-N 1 0 452.574 3.792 20 0 JHADRO CCOCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314349149 1070162195 /nfs/dbraw/zinc/16/21/95/1070162195.db2.gz INLSRPKOMDIVSA-UQBPGWFLSA-N 1 0 478.682 3.819 20 0 JHADRO COCC[NH+](CCOC)C1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC001307747604 1070164077 /nfs/dbraw/zinc/16/40/77/1070164077.db2.gz BZWCSCAATPMYMU-UHFFFAOYSA-N 1 0 456.612 3.623 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC001312885143 1070167247 /nfs/dbraw/zinc/16/72/47/1070167247.db2.gz KPSUUTOMMDYKFC-AVPJRLCVSA-N 1 0 451.611 3.905 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC001312884253 1070166374 /nfs/dbraw/zinc/16/63/74/1070166374.db2.gz DKCAPNQPYWESCV-DLGLWYJGSA-N 1 0 481.637 3.744 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1cccc(OC(F)(F)F)c1 ZINC001312886949 1070168179 /nfs/dbraw/zinc/16/81/79/1070168179.db2.gz YOIIFTFEFMDPAE-TZIWHRDSSA-N 1 0 451.489 3.922 20 0 JHADRO CCOCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001314350680 1070168302 /nfs/dbraw/zinc/16/83/02/1070168302.db2.gz ZFGYNUWPEHFIQZ-UHFFFAOYSA-N 1 0 498.672 3.952 20 0 JHADRO CC(C)[C@H](NCC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)c1nncn1C ZINC001307758475 1070169215 /nfs/dbraw/zinc/16/92/15/1070169215.db2.gz SFXZTDJMXVMDHB-NRFANRHFSA-N 1 0 451.596 3.912 20 0 JHADRO C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CCOCC1)c1ccccc1 ZINC001312894030 1070170268 /nfs/dbraw/zinc/17/02/68/1070170268.db2.gz JCLHABYFDNXIPP-TUNNFDKTSA-N 1 0 474.646 3.974 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCC[N@H+](CCCON3C(=O)c4ccccc4C3=O)C2)C1 ZINC001307773050 1070177192 /nfs/dbraw/zinc/17/71/92/1070177192.db2.gz JLMJYMSGFYTVMO-RTBURBONSA-N 1 0 457.571 3.573 20 0 JHADRO COc1cc(C)c([C@H](C)NC(=O)CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001307763200 1070172868 /nfs/dbraw/zinc/17/28/68/1070172868.db2.gz PHKKHDAICJKIPH-IDISGSTGSA-N 1 0 451.611 3.787 20 0 JHADRO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312924475 1070182676 /nfs/dbraw/zinc/18/26/76/1070182676.db2.gz BUMVFBRRCIOUDT-FDTGPBLFSA-N 1 0 473.658 3.835 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001314359904 1070183067 /nfs/dbraw/zinc/18/30/67/1070183067.db2.gz GKKLJRSXXQKJNM-FQEVSTJZSA-N 1 0 481.563 3.598 20 0 JHADRO CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)CC2)CC1 ZINC001312925469 1070183482 /nfs/dbraw/zinc/18/34/82/1070183482.db2.gz HXJAIKFFHSWKQE-BAGYTPMASA-N 1 0 464.695 3.579 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314360773 1070184496 /nfs/dbraw/zinc/18/44/96/1070184496.db2.gz OVQQHDLTWYNLKN-HXUWFJFHSA-N 1 0 457.594 3.927 20 0 JHADRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001307799084 1070187031 /nfs/dbraw/zinc/18/70/31/1070187031.db2.gz KKLIJFDFWYFLNB-LVXARBLLSA-N 1 0 458.599 3.609 20 0 JHADRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001307799086 1070187117 /nfs/dbraw/zinc/18/71/17/1070187117.db2.gz KKLIJFDFWYFLNB-RLWLMLJZSA-N 1 0 458.599 3.609 20 0 JHADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001312932791 1070187167 /nfs/dbraw/zinc/18/71/67/1070187167.db2.gz MTYZCJUUFIYZRO-VQTJNVASSA-N 1 0 455.521 3.681 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001314362868 1070188221 /nfs/dbraw/zinc/18/82/21/1070188221.db2.gz AHLXBHLYEAGSSN-PWRODBHTSA-N 1 0 486.627 3.790 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)NCc3noc(-c4cccs4)n3)cc2)C[C@H](C)O1 ZINC001312937712 1070189500 /nfs/dbraw/zinc/18/95/00/1070189500.db2.gz POWLLJGTDUVHBE-CALCHBBNSA-N 1 0 455.584 3.749 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001314363858 1070190300 /nfs/dbraw/zinc/19/03/00/1070190300.db2.gz DTIHAZFSZDSHNI-LEWJYISDSA-N 1 0 478.682 3.676 20 0 JHADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)N3C[C@H](c4ccccc4)[C@@](F)(CO)C3)ccc2c1 ZINC001307804482 1070190513 /nfs/dbraw/zinc/19/05/13/1070190513.db2.gz IZPQAAHPGUXSFP-UYDITSSVSA-N 1 0 450.554 3.995 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CC[C@H](OC)C(F)(F)F ZINC001314365368 1070195145 /nfs/dbraw/zinc/19/51/45/1070195145.db2.gz MFYKLSYQIWUYHF-QRVBRYPASA-N 1 0 461.573 3.873 20 0 JHADRO CCOCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001314366385 1070198232 /nfs/dbraw/zinc/19/82/32/1070198232.db2.gz JFLARERRHLSPLB-PCCBWWKXSA-N 1 0 476.666 3.525 20 0 JHADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001307831445 1070205092 /nfs/dbraw/zinc/20/50/92/1070205092.db2.gz VETZNZLDXYZVBF-JIMJEQGWSA-N 1 0 468.594 3.520 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001314372155 1070209081 /nfs/dbraw/zinc/20/90/81/1070209081.db2.gz NFNLQONADMCVSC-FQEVSTJZSA-N 1 0 460.598 3.519 20 0 JHADRO C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001307838309 1070206298 /nfs/dbraw/zinc/20/62/98/1070206298.db2.gz TXIBQBSWWIVQOU-DZFGPLHGSA-N 1 0 465.660 3.760 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001314372731 1070209742 /nfs/dbraw/zinc/20/97/42/1070209742.db2.gz ZNTAXBVPYDSHAO-RBBKRZOGSA-N 1 0 468.577 3.699 20 0 JHADRO COc1ccc([C@H](O)C[N@H+](CC(=O)N2C[C@@H](C)OC(C)(C)C2)[C@H](C)Cc2ccccc2)cc1 ZINC001307845196 1070209824 /nfs/dbraw/zinc/20/98/24/1070209824.db2.gz RFODPGURAAVRDW-DNRQZRRGSA-N 1 0 454.611 3.688 20 0 JHADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001312990114 1070212544 /nfs/dbraw/zinc/21/25/44/1070212544.db2.gz LKOFBEKZOYRXSE-ZHNGQKSSSA-N 1 0 462.610 3.900 20 0 JHADRO CCOCc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001314374202 1070212642 /nfs/dbraw/zinc/21/26/42/1070212642.db2.gz AUMVDLOCXHCTIC-NRFANRHFSA-N 1 0 486.636 3.571 20 0 JHADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCCC[C@H]1Cc1ccccc1Br ZINC001312993460 1070215431 /nfs/dbraw/zinc/21/54/31/1070215431.db2.gz BAELGVBFHKNYNP-ICSRJNTNSA-N 1 0 453.469 3.828 20 0 JHADRO CCOCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314376190 1070216398 /nfs/dbraw/zinc/21/63/98/1070216398.db2.gz LRYGWMYSCGAZOY-RUZDIDTESA-N 1 0 496.700 3.607 20 0 JHADRO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC001307873739 1070218893 /nfs/dbraw/zinc/21/88/93/1070218893.db2.gz HHBMVBIKBVKSBT-UTFKNXJGSA-N 1 0 457.596 3.502 20 0 JHADRO CCOCc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001314377390 1070219037 /nfs/dbraw/zinc/21/90/37/1070219037.db2.gz QYXHENJNIYWAIF-NRFANRHFSA-N 1 0 488.702 3.597 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314383649 1070227496 /nfs/dbraw/zinc/22/74/96/1070227496.db2.gz BRRFIMHJSOLXQO-QFIPXVFZSA-N 1 0 474.694 3.554 20 0 JHADRO COCC[N@@H+]1CCN(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)C(C)(C)C1 ZINC001307891908 1070227604 /nfs/dbraw/zinc/22/76/04/1070227604.db2.gz GDWMYRJALXERDZ-OAQYLSRUSA-N 1 0 458.990 3.653 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001314382620 1070225737 /nfs/dbraw/zinc/22/57/37/1070225737.db2.gz UIZRQJMZAGMSJQ-LJQANCHMSA-N 1 0 481.563 3.739 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314386304 1070232907 /nfs/dbraw/zinc/23/29/07/1070232907.db2.gz YGNDHFNWQJSODH-PKOBYXMFSA-N 1 0 478.663 3.625 20 0 JHADRO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001307908959 1070235460 /nfs/dbraw/zinc/23/54/60/1070235460.db2.gz QZEMLFSDKCRTJM-NRFANRHFSA-N 1 0 450.410 3.871 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314387492 1070235693 /nfs/dbraw/zinc/23/56/93/1070235693.db2.gz SYKSUPIFJSINCB-OYRHEFFESA-N 1 0 470.662 3.603 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314388480 1070238775 /nfs/dbraw/zinc/23/87/75/1070238775.db2.gz JRVYTKHGIIAVJH-QHAWAJNXSA-N 1 0 489.734 3.911 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+][C@@H](C(N)=O)c2ccccc2)cc1F ZINC001307921503 1070243144 /nfs/dbraw/zinc/24/31/44/1070243144.db2.gz YOMVBLLBQXRFHL-RCZSKKKRSA-N 1 0 457.546 3.744 20 0 JHADRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1)N(Cc1ccccc1)C1CC1 ZINC001307916657 1070239497 /nfs/dbraw/zinc/23/94/97/1070239497.db2.gz HFARWNZAYHHGAG-PZJWPPBQSA-N 1 0 451.533 3.833 20 0 JHADRO CCOCc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314388976 1070240743 /nfs/dbraw/zinc/24/07/43/1070240743.db2.gz FFBJTJVDACLHCB-NRFANRHFSA-N 1 0 476.597 3.784 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]CCC(=O)NCC(=O)c2ccccc2)C1 ZINC001307918882 1070241032 /nfs/dbraw/zinc/24/10/32/1070241032.db2.gz LGUVVYILETYCAY-DHIUTWEWSA-N 1 0 465.594 3.758 20 0 JHADRO C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001313085178 1070244857 /nfs/dbraw/zinc/24/48/57/1070244857.db2.gz NCDNSTFPQSWINU-JOCHJYFZSA-N 1 0 459.594 3.680 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCc1nc(C(C)(C)C)cs1 ZINC001314393562 1070250831 /nfs/dbraw/zinc/25/08/31/1070250831.db2.gz ALSRQLSTLDTCDT-SFHVURJKSA-N 1 0 476.691 3.501 20 0 JHADRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001307940278 1070251704 /nfs/dbraw/zinc/25/17/04/1070251704.db2.gz ZFFZVUMMBDAXQO-QMHWCDLVSA-N 1 0 475.630 3.716 20 0 JHADRO CC[C@H](CO)[N@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)C1CCC(C(C)(C)C)CC1 ZINC001307959361 1070258507 /nfs/dbraw/zinc/25/85/07/1070258507.db2.gz ZLDAZHKZDDNHAC-SHSGKGFPSA-N 1 0 457.659 3.873 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001314398614 1070258811 /nfs/dbraw/zinc/25/88/11/1070258811.db2.gz KARAAEAOYKDUMC-UHFFFAOYSA-N 1 0 466.552 3.979 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCCn1cnc2ccccc21 ZINC001314397448 1070257537 /nfs/dbraw/zinc/25/75/37/1070257537.db2.gz CCQLKPCRFVMYKH-UHFFFAOYSA-N 1 0 453.635 3.813 20 0 JHADRO CCOCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001314399574 1070259361 /nfs/dbraw/zinc/25/93/61/1070259361.db2.gz YZUKWUDQNUISTG-VSKRKVRLSA-N 1 0 472.653 3.752 20 0 JHADRO CCOCc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001314400213 1070262125 /nfs/dbraw/zinc/26/21/25/1070262125.db2.gz ANFVSEDQZIHDCT-UHFFFAOYSA-N 1 0 483.583 3.808 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCc1ccc(OC)c(Br)c1 ZINC001314400823 1070262163 /nfs/dbraw/zinc/26/21/63/1070262163.db2.gz KQESGKGDOUBEND-SFHVURJKSA-N 1 0 478.435 3.503 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CCC[N@H+](C)C(C)C ZINC001314402793 1070264632 /nfs/dbraw/zinc/26/46/32/1070264632.db2.gz GUIWZHINFXUSGG-SFHVURJKSA-N 1 0 464.680 3.877 20 0 JHADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC001313137267 1070265588 /nfs/dbraw/zinc/26/55/88/1070265588.db2.gz QEJHMMCTEQOFFQ-RXVVDRJESA-N 1 0 458.965 3.748 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314406347 1070269312 /nfs/dbraw/zinc/26/93/12/1070269312.db2.gz HUILDGJDKYEJQH-QGZVFWFLSA-N 1 0 454.040 3.982 20 0 JHADRO COc1ccc(C([NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(OC)cc2)cc1 ZINC001307992571 1070272823 /nfs/dbraw/zinc/27/28/23/1070272823.db2.gz XVEMVSLICVMNCV-UHFFFAOYSA-N 1 0 455.599 3.936 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001314410315 1070276270 /nfs/dbraw/zinc/27/62/70/1070276270.db2.gz YJNFAJKPTHVPJD-UGKGYDQZSA-N 1 0 478.037 3.547 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c2ccccc2)cc1 ZINC001308008190 1070277221 /nfs/dbraw/zinc/27/72/21/1070277221.db2.gz ZTTSOTYGJJAMEQ-NOZRDPDXSA-N 1 0 458.624 3.675 20 0 JHADRO COc1ccc([C@@H]2CN([C@@H](C)c3nnnn3-c3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308013972 1070279748 /nfs/dbraw/zinc/27/97/48/1070279748.db2.gz GZTJLKNMJNIURB-BULFRSBZSA-N 1 0 464.570 3.725 20 0 JHADRO COC[C@@H]([NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(Br)c1 ZINC001308019820 1070282997 /nfs/dbraw/zinc/28/29/97/1070282997.db2.gz NSPHYPIPAQAILX-MOPGFXCFSA-N 1 0 457.409 3.734 20 0 JHADRO CCOC(=O)C1=C(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001308027554 1070284705 /nfs/dbraw/zinc/28/47/05/1070284705.db2.gz JMUWGHUMTNZDCT-RKVPGOIHSA-N 1 0 457.880 3.998 20 0 JHADRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H](CO)c3ccc(Br)c(F)c3)C2)cc1 ZINC001313184035 1070285127 /nfs/dbraw/zinc/28/51/27/1070285127.db2.gz CULBVEZZJMGJKZ-PXNSSMCTSA-N 1 0 450.352 3.504 20 0 JHADRO COC(=O)c1cc(C[N@H+](Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)ccc1C ZINC001308048881 1070292554 /nfs/dbraw/zinc/29/25/54/1070292554.db2.gz XOWONNCHJZGWIP-UHFFFAOYSA-N 1 0 454.567 3.766 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CC=CCC2)C1 ZINC001314421173 1070293728 /nfs/dbraw/zinc/29/37/28/1070293728.db2.gz YPYIUJWXEQPCSF-QFIPXVFZSA-N 1 0 466.630 3.662 20 0 JHADRO C[C@H](NC(=O)NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC001313217834 1070296036 /nfs/dbraw/zinc/29/60/36/1070296036.db2.gz DMTWRVWCRAAHHB-VBKZILBWSA-N 1 0 452.933 3.844 20 0 JHADRO C[C@H](NC(=O)NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001313217838 1070296388 /nfs/dbraw/zinc/29/63/88/1070296388.db2.gz DMTWRVWCRAAHHB-XOBRGWDASA-N 1 0 452.933 3.844 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314425514 1070302075 /nfs/dbraw/zinc/30/20/75/1070302075.db2.gz OXSFXGKZARRGED-ILBGXUMGSA-N 1 0 469.674 3.787 20 0 JHADRO NC(=O)c1ccc(NC(=O)CC[NH2+][C@@H]2CCOc3ccc(Br)cc32)cc1Cl ZINC001308069825 1070302229 /nfs/dbraw/zinc/30/22/29/1070302229.db2.gz ZIAOWRHBRIUXFH-MRXNPFEDSA-N 1 0 452.736 3.643 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](C)[NH+](CC)CC)C1 ZINC001314424558 1070301901 /nfs/dbraw/zinc/30/19/01/1070301901.db2.gz DZBMISHLJPQWOA-VIZSFHNOSA-N 1 0 457.619 3.774 20 0 JHADRO OC[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1C(F)(F)F ZINC001308096602 1070309768 /nfs/dbraw/zinc/30/97/68/1070309768.db2.gz FYIZUPQPWFRSKV-SUMWQHHRSA-N 1 0 452.242 3.670 20 0 JHADRO C[C@@H]1CN(CC[N@@H+]2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C[C@@H](C)O1 ZINC001308106922 1070313840 /nfs/dbraw/zinc/31/38/40/1070313840.db2.gz IGNNFYRIIWFZFS-NHCUHLMSSA-N 1 0 459.631 3.760 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001314432135 1070316127 /nfs/dbraw/zinc/31/61/27/1070316127.db2.gz BWTAOJULBPHXSV-OAQYLSRUSA-N 1 0 475.081 3.735 20 0 JHADRO O=C(NCc1cc(Br)ccc1Cl)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001313303624 1070320397 /nfs/dbraw/zinc/32/03/97/1070320397.db2.gz ZHBRVZFQFRUTFZ-HXUWFJFHSA-N 1 0 452.780 3.539 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001314434962 1070320645 /nfs/dbraw/zinc/32/06/45/1070320645.db2.gz COSCTPGRGUNYGW-SFHVURJKSA-N 1 0 479.641 3.837 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001314436701 1070324031 /nfs/dbraw/zinc/32/40/31/1070324031.db2.gz OQSCXWASRHTOBP-JAXLGGSGSA-N 1 0 473.637 3.759 20 0 JHADRO C[C@H]([NH2+]CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1csc2ccccc21 ZINC001308142041 1070326577 /nfs/dbraw/zinc/32/65/77/1070326577.db2.gz OQAMNLTVWBHNMA-UPCLLVRISA-N 1 0 450.564 3.526 20 0 JHADRO Cc1cc(I)ccc1NC(=O)CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001308152107 1070329057 /nfs/dbraw/zinc/32/90/57/1070329057.db2.gz UPXCFHRZJMBKSE-HKUYNNGSSA-N 1 0 455.384 3.733 20 0 JHADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC001308148449 1070329489 /nfs/dbraw/zinc/32/94/89/1070329489.db2.gz NAJKWMZDSXLFEE-PMERELPUSA-N 1 0 452.068 3.988 20 0 JHADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)[C@@H](C)C1 ZINC001313335101 1070330029 /nfs/dbraw/zinc/33/00/29/1070330029.db2.gz BNNZIPFMCVGRIM-YRWQMTPXSA-N 1 0 458.647 3.983 20 0 JHADRO COc1ccc(OCc2nc(C[NH2+]C[C@@H](c3cccs3)N3CCN(C)CC3)cs2)cc1 ZINC001308182675 1070338570 /nfs/dbraw/zinc/33/85/70/1070338570.db2.gz RQUPCZQIQJGUPD-NRFANRHFSA-N 1 0 458.653 3.871 20 0 JHADRO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1C ZINC001308172524 1070335609 /nfs/dbraw/zinc/33/56/09/1070335609.db2.gz FKZNOIPWHLTDAR-DFBJGRDBSA-N 1 0 458.603 3.968 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNCc3ncc(I)s3)cc2)C[C@H](C)O1 ZINC001308196131 1070339052 /nfs/dbraw/zinc/33/90/52/1070339052.db2.gz CEXWETRULXNIOQ-OKILXGFUSA-N 1 0 457.381 3.647 20 0 JHADRO CCOC[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001314444084 1070336797 /nfs/dbraw/zinc/33/67/97/1070336797.db2.gz XBLINMQUOZFZLT-ACRUOGEOSA-N 1 0 476.666 3.555 20 0 JHADRO C[N@@H+]1C[C@@H](CNC(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)[C@H](c2ccccc2)C1 ZINC001313370925 1070338835 /nfs/dbraw/zinc/33/88/35/1070338835.db2.gz GJVDRQJQKMCEKD-ZVDOUQERSA-N 1 0 474.527 3.714 20 0 JHADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCN1CCN(c2cccc(C)c2)CC1 ZINC001308188397 1070338834 /nfs/dbraw/zinc/33/88/34/1070338834.db2.gz HMLOHLCYUMCKSZ-UHFFFAOYSA-N 1 0 450.048 3.744 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCSc2ccc(Cl)cc2)CC1 ZINC001308178079 1070337648 /nfs/dbraw/zinc/33/76/48/1070337648.db2.gz UEYUSVBJPGPWHF-IBGZPJMESA-N 1 0 454.036 3.976 20 0 JHADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@@H]3CCN(c4ccccc4C(N)=O)C3)cc2C1 ZINC001308258828 1070346902 /nfs/dbraw/zinc/34/69/02/1070346902.db2.gz RMERANMGIJNYEF-QGZVFWFLSA-N 1 0 456.612 3.509 20 0 JHADRO CC[C@@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)NCc1cccs1 ZINC001313403593 1070349146 /nfs/dbraw/zinc/34/91/46/1070349146.db2.gz LGKKIQHJUWHKMP-ADYITMSISA-N 1 0 454.640 3.743 20 0 JHADRO COc1ccc2[nH]cc(CC[NH2+]Cc3cnnn3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2c1 ZINC001308261198 1070347505 /nfs/dbraw/zinc/34/75/05/1070347505.db2.gz PCQUCTSMEXMSDC-SFHVURJKSA-N 1 0 454.575 3.672 20 0 JHADRO OC[C@@]1([NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)CCCN(Cc2ccccc2)C1 ZINC001308263663 1070347612 /nfs/dbraw/zinc/34/76/12/1070347612.db2.gz GCUYGLSTYNODEM-RUZDIDTESA-N 1 0 455.002 3.732 20 0 JHADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC001308266047 1070348576 /nfs/dbraw/zinc/34/85/76/1070348576.db2.gz IYIQHEHJRLFDSG-IRXDYDNUSA-N 1 0 454.453 3.953 20 0 JHADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)CC1 ZINC001308273618 1070350097 /nfs/dbraw/zinc/35/00/97/1070350097.db2.gz BQVILHXHVAXGRO-QFBILLFUSA-N 1 0 450.421 3.599 20 0 JHADRO COc1ccc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(Br)c1 ZINC001308279711 1070350665 /nfs/dbraw/zinc/35/06/65/1070350665.db2.gz QSZRSYBOPVCZQX-UHFFFAOYSA-N 1 0 453.402 3.542 20 0 JHADRO Cn1c(C[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC001308281282 1070351793 /nfs/dbraw/zinc/35/17/93/1070351793.db2.gz OJWQWLJDKKBDFV-UHFFFAOYSA-N 1 0 459.516 3.811 20 0 JHADRO COc1cc(CN2CC[C@H]([NH2+]Cc3ccccc3I)C2)cc(OC)c1 ZINC001308308256 1070354466 /nfs/dbraw/zinc/35/44/66/1070354466.db2.gz IYIBCMMPRIIMOG-KRWDZBQOSA-N 1 0 452.336 3.673 20 0 JHADRO CC[NH+](CC)CC[C@H](NC(=O)N1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1)c1ccccc1 ZINC001313416048 1070352802 /nfs/dbraw/zinc/35/28/02/1070352802.db2.gz QBBCZWHDUKOTQL-SGNDLWITSA-N 1 0 451.615 3.674 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C)s1 ZINC001313446521 1070363280 /nfs/dbraw/zinc/36/32/80/1070363280.db2.gz AKJMMBSLFFQTST-SFHVURJKSA-N 1 0 453.616 3.806 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001313446695 1070363319 /nfs/dbraw/zinc/36/33/19/1070363319.db2.gz DWMSWAZDSOTHFM-FQEVSTJZSA-N 1 0 468.005 3.603 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313446578 1070363614 /nfs/dbraw/zinc/36/36/14/1070363614.db2.gz COZIUTDNGGHBEU-UWJYYQICSA-N 1 0 489.462 3.639 20 0 JHADRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1ccc(Br)c3cccnc13)CC2 ZINC001308375067 1070363957 /nfs/dbraw/zinc/36/39/57/1070363957.db2.gz VIXFQEDVILPVSI-OAHLLOKOSA-N 1 0 456.388 3.684 20 0 JHADRO CC1(c2cccc(Br)c2)CCC([NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001308346457 1070360161 /nfs/dbraw/zinc/36/01/61/1070360161.db2.gz HYPJPDFIMWJNNJ-MAHYXTOZSA-N 1 0 456.446 3.975 20 0 JHADRO COc1cc(C[NH2+]CC2(Cc3ccccc3)CCCC2)ccc1OCC(=O)N1CCOCC1 ZINC001308350723 1070360209 /nfs/dbraw/zinc/36/02/09/1070360209.db2.gz OKNPJOBBWIGGBL-UHFFFAOYSA-N 1 0 452.595 3.826 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)CC(=O)NC(C)C ZINC001313447178 1070366041 /nfs/dbraw/zinc/36/60/41/1070366041.db2.gz INGKNSARQIMJED-FQEVSTJZSA-N 1 0 463.630 3.637 20 0 JHADRO COc1cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)ccc1OCc1ccc(Br)cc1 ZINC001308386302 1070366355 /nfs/dbraw/zinc/36/63/55/1070366355.db2.gz YGWGRWWKUJARMB-RTBURBONSA-N 1 0 450.373 3.771 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCOC1 ZINC001313447387 1070366498 /nfs/dbraw/zinc/36/64/98/1070366498.db2.gz JECSYBLRGOGMGC-LSDHHAIUSA-N 1 0 454.438 3.869 20 0 JHADRO CCOc1cccc(C[NH2+]C[C@H]2CCCN2Cc2ccc(I)cc2)n1 ZINC001308386424 1070366442 /nfs/dbraw/zinc/36/64/42/1070366442.db2.gz WEIMRCFVDKFSFP-LJQANCHMSA-N 1 0 451.352 3.839 20 0 JHADRO O=C([C@H](C[NH2+]Cc1cc(F)ccc1Br)Cc1cccc(F)c1)N1CCOCC1 ZINC001308394081 1070367206 /nfs/dbraw/zinc/36/72/06/1070367206.db2.gz CJNLRILFGIDQQE-KRWDZBQOSA-N 1 0 453.327 3.535 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313447674 1070368241 /nfs/dbraw/zinc/36/82/41/1070368241.db2.gz MOXRGDXYJDYNOU-YADHBBJMSA-N 1 0 452.647 3.869 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1csc(Br)c1 ZINC001313447720 1070368378 /nfs/dbraw/zinc/36/83/78/1070368378.db2.gz JMAFSYOJDOCUGK-KRWDZBQOSA-N 1 0 495.491 3.849 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313448126 1070370118 /nfs/dbraw/zinc/37/01/18/1070370118.db2.gz PFMLKISGAYTJDI-ZEQRLZLVSA-N 1 0 452.647 3.753 20 0 JHADRO COc1ccc(C[C@@H](CO)C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)cc1Br ZINC001308406591 1070371524 /nfs/dbraw/zinc/37/15/24/1070371524.db2.gz DYQKCRZBHVIXDK-QGZVFWFLSA-N 1 0 455.437 3.626 20 0 JHADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1Br ZINC001308406153 1070371923 /nfs/dbraw/zinc/37/19/23/1070371923.db2.gz AKOUNDSTGRSUDW-LBPRGKRZSA-N 1 0 453.324 3.960 20 0 JHADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC001308415657 1070372073 /nfs/dbraw/zinc/37/20/73/1070372073.db2.gz YUDCXPBSRQTVDW-INIZCTEOSA-N 1 0 454.386 3.525 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 ZINC001313448754 1070372079 /nfs/dbraw/zinc/37/20/79/1070372079.db2.gz ARXQZMPDDUCMTO-NRFANRHFSA-N 1 0 484.693 3.647 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314464811 1070374972 /nfs/dbraw/zinc/37/49/72/1070374972.db2.gz PHFNZABTZOXTKW-QGZVFWFLSA-N 1 0 481.464 3.883 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC001313449233 1070374032 /nfs/dbraw/zinc/37/40/32/1070374032.db2.gz WHFMNTBLEBHCGN-BVSLBCMMSA-N 1 0 488.702 3.695 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001313449798 1070375510 /nfs/dbraw/zinc/37/55/10/1070375510.db2.gz ZTOLWYKGWRJAOF-LMNJBCLMSA-N 1 0 496.077 3.569 20 0 JHADRO COc1cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)ccc1OCc1ccc(Br)cc1 ZINC001308434964 1070375331 /nfs/dbraw/zinc/37/53/31/1070375331.db2.gz AYNHQYBUVDQVQU-QUCCMNQESA-N 1 0 450.373 3.914 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC001313450288 1070377268 /nfs/dbraw/zinc/37/72/68/1070377268.db2.gz WAMMBTMSKXQYRZ-QHCPKHFHSA-N 1 0 481.689 3.653 20 0 JHADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1)CC(F)(F)F ZINC001308465252 1070378965 /nfs/dbraw/zinc/37/89/65/1070378965.db2.gz FLJFGFPIBJJFIL-SFHVURJKSA-N 1 0 456.553 3.777 20 0 JHADRO COc1cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c(F)cc1Br ZINC001308465353 1070379226 /nfs/dbraw/zinc/37/92/26/1070379226.db2.gz VNTPNQVSJPDQBO-VLIAUNLRSA-N 1 0 467.383 3.808 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[NH2+]CCc2ccc([Si](C)(C)C)cc2)C1 ZINC001308468947 1070379245 /nfs/dbraw/zinc/37/92/45/1070379245.db2.gz VXIBTRZOLCGZDH-FQEVSTJZSA-N 1 0 457.695 3.728 20 0 JHADRO CCOCCN(C)c1nnc(-c2c[nH]c3ccccc32)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314469119 1070379954 /nfs/dbraw/zinc/37/99/54/1070379954.db2.gz TVLGGSBJCYHHBE-RTBURBONSA-N 1 0 454.619 3.787 20 0 JHADRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)cc(Cl)c3OCCN3CCOCC3)O2)CO1 ZINC001308525439 1070385477 /nfs/dbraw/zinc/38/54/77/1070385477.db2.gz JVJJQRCQTDIVNS-GTCCEBARSA-N 1 0 459.414 3.521 20 0 JHADRO CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](C[NH2+]Cc1cnc3ccc(Br)cn13)O2 ZINC001308512538 1070383500 /nfs/dbraw/zinc/38/35/00/1070383500.db2.gz DHMYNLHBXMUZLZ-XZSJUEPFSA-N 1 0 450.377 3.856 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCSC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313452833 1070384411 /nfs/dbraw/zinc/38/44/11/1070384411.db2.gz MYYXDKMHVSIGJG-WMZHIEFXSA-N 1 0 451.681 3.525 20 0 JHADRO COCOc1ccc(OC)cc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001308518369 1070384968 /nfs/dbraw/zinc/38/49/68/1070384968.db2.gz DMKPLYGYJWROCP-IBGZPJMESA-N 1 0 450.576 3.574 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001313453498 1070386030 /nfs/dbraw/zinc/38/60/30/1070386030.db2.gz XHRSDNJFELNUCX-IBGZPJMESA-N 1 0 498.619 3.700 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001313453625 1070386269 /nfs/dbraw/zinc/38/62/69/1070386269.db2.gz UDVKERWXWRNNFZ-YTFSRNRJSA-N 1 0 482.673 3.806 20 0 JHADRO COc1ccc(C[NH2+]Cc2cc(I)c(OC)c(OC)c2)c(C)c1OC ZINC001308529693 1070386355 /nfs/dbraw/zinc/38/63/55/1070386355.db2.gz GQCFNVUOUJBRHY-UHFFFAOYSA-N 1 0 457.308 3.924 20 0 JHADRO CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)cc1 ZINC001308527616 1070386444 /nfs/dbraw/zinc/38/64/44/1070386444.db2.gz MPCVJRHQPFRULK-VWLOTQADSA-N 1 0 453.608 3.703 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001313453903 1070387442 /nfs/dbraw/zinc/38/74/42/1070387442.db2.gz WYKJUCSBWIJSAG-FDDCHVKYSA-N 1 0 477.078 3.800 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC001308540266 1070387606 /nfs/dbraw/zinc/38/76/06/1070387606.db2.gz QVHVGFVMIMLHOH-QGZVFWFLSA-N 1 0 453.299 3.929 20 0 JHADRO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1OCc1ccc(C(=O)OC)o1 ZINC001308560566 1070389312 /nfs/dbraw/zinc/38/93/12/1070389312.db2.gz HOYOATPUNILEBL-OXQOHEQNSA-N 1 0 457.445 3.932 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313455244 1070391802 /nfs/dbraw/zinc/39/18/02/1070391802.db2.gz KWTLFEHDCPTXBY-MHZLTWQESA-N 1 0 495.672 3.801 20 0 JHADRO COc1cccc(OCCN2CC[NH+](Cc3cccc(CNC(=O)OC(C)(C)C)c3)CC2)c1 ZINC001308567204 1070391846 /nfs/dbraw/zinc/39/18/46/1070391846.db2.gz QENKELCIJRBFTA-UHFFFAOYSA-N 1 0 455.599 3.917 20 0 JHADRO C[C@@H]1C[C@@H](C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001308586586 1070395640 /nfs/dbraw/zinc/39/56/40/1070395640.db2.gz OEXGLAYDSULQQM-UXHICEINSA-N 1 0 454.656 3.507 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC[C@@H](C)CC3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001313456424 1070395815 /nfs/dbraw/zinc/39/58/15/1070395815.db2.gz XFHNNEVQNZNBJF-MOPGFXCFSA-N 1 0 451.619 3.642 20 0 JHADRO CCOCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001314484716 1070397685 /nfs/dbraw/zinc/39/76/85/1070397685.db2.gz ZOQXEBCJQAZPNE-NRFANRHFSA-N 1 0 457.619 3.842 20 0 JHADRO CCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001314489622 1070399914 /nfs/dbraw/zinc/39/99/14/1070399914.db2.gz YQZKOUXSLRBNSL-BGYRXZFFSA-N 1 0 476.065 3.884 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001313458071 1070401670 /nfs/dbraw/zinc/40/16/70/1070401670.db2.gz IBPPERUNOOQIKV-GUDVDZBRSA-N 1 0 477.053 3.764 20 0 JHADRO CCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001314492046 1070405214 /nfs/dbraw/zinc/40/52/14/1070405214.db2.gz XLUGCEKFHWUNJY-UHFFFAOYSA-N 1 0 498.455 3.749 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001313459172 1070405194 /nfs/dbraw/zinc/40/51/94/1070405194.db2.gz FQMVBRSDNOYEKB-FYYLOGMGSA-N 1 0 482.673 3.961 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1CC ZINC001314495166 1070412638 /nfs/dbraw/zinc/41/26/38/1070412638.db2.gz FSPMHUQZBPCHIG-HSZRJFAPSA-N 1 0 482.673 3.673 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1CC ZINC001314495167 1070412796 /nfs/dbraw/zinc/41/27/96/1070412796.db2.gz FSPMHUQZBPCHIG-QHCPKHFHSA-N 1 0 482.673 3.673 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)c(Cl)c2)C[C@H]1CC ZINC001314495280 1070412843 /nfs/dbraw/zinc/41/28/43/1070412843.db2.gz GJIWIVJEVQRFIE-OAQYLSRUSA-N 1 0 485.032 3.988 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)SC)C[C@H]1CC ZINC001314495247 1070412898 /nfs/dbraw/zinc/41/28/98/1070412898.db2.gz GNRLSMDPXZNIKB-HXUWFJFHSA-N 1 0 489.686 3.795 20 0 JHADRO CN(Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308663717 1070413291 /nfs/dbraw/zinc/41/32/91/1070413291.db2.gz STYQGIPFDDHSDZ-YADHBBJMSA-N 1 0 454.619 3.556 20 0 JHADRO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1N1CCO[C@H](C)C1 ZINC001308661678 1070413430 /nfs/dbraw/zinc/41/34/30/1070413430.db2.gz CIZBLWTYBPJJGP-WZONZLPQSA-N 1 0 454.567 3.591 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(OCCN4CCOCC4)cc3)C2)C1 ZINC001308716409 1070424479 /nfs/dbraw/zinc/42/44/79/1070424479.db2.gz OOPXBSYJVDFSER-SANMLTNESA-N 1 0 459.631 3.621 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C3CC3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001313463776 1070425964 /nfs/dbraw/zinc/42/59/64/1070425964.db2.gz QRLWUVVDUVLLJZ-QHCPKHFHSA-N 1 0 452.647 3.787 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001313463904 1070427492 /nfs/dbraw/zinc/42/74/92/1070427492.db2.gz HSAKMBFIUFTNNL-FQEVSTJZSA-N 1 0 472.703 3.729 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001313462835 1070423019 /nfs/dbraw/zinc/42/30/19/1070423019.db2.gz NSHXVECCXNXIFR-OAQYLSRUSA-N 1 0 467.662 3.513 20 0 JHADRO COC(=O)[C@H]1[C@@H](C[NH+]2CCC(c3nc(-c4ccccc4Br)no3)CC2)C1(F)F ZINC001308737102 1070429150 /nfs/dbraw/zinc/42/91/50/1070429150.db2.gz XXHDUFGAGOIIQZ-UKRRQHHQSA-N 1 0 456.287 3.733 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC=CO2)C[C@H]1CC ZINC001314500106 1070429581 /nfs/dbraw/zinc/42/95/81/1070429581.db2.gz QPQYOCBFUTZESQ-DHIUTWEWSA-N 1 0 457.594 3.638 20 0 JHADRO CN(C(=O)c1ccc(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001308760095 1070432773 /nfs/dbraw/zinc/43/27/73/1070432773.db2.gz GCYSCRZVROYHLQ-HXUWFJFHSA-N 1 0 456.953 3.838 20 0 JHADRO CN(C(=O)c1ccc(NCc2nc3ccccn3c2Br)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001308761231 1070432792 /nfs/dbraw/zinc/43/27/92/1070432792.db2.gz RAUMVABWARGUMG-SFHVURJKSA-N 1 0 456.388 3.875 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001313465952 1070435830 /nfs/dbraw/zinc/43/58/30/1070435830.db2.gz QOTWHEWLSCSLAR-YTFSRNRJSA-N 1 0 474.694 3.569 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCC(F)(F)C2)C[C@@H]1CC ZINC001314501905 1070435928 /nfs/dbraw/zinc/43/59/28/1070435928.db2.gz SUCMBBSBSQPOBD-NJYVYQBISA-N 1 0 469.621 3.935 20 0 JHADRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccc(N2CCOC2=O)cc1 ZINC001308775986 1070436690 /nfs/dbraw/zinc/43/66/90/1070436690.db2.gz CIVJWVOUKWLERE-SFYKDHMMSA-N 1 0 453.539 3.720 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001313466175 1070437280 /nfs/dbraw/zinc/43/72/80/1070437280.db2.gz KVCXUVMYMDNBKS-OALUTQOASA-N 1 0 459.038 3.825 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001313466299 1070437876 /nfs/dbraw/zinc/43/78/76/1070437876.db2.gz QFWZJGLWRVBTIY-FCHUYYIVSA-N 1 0 470.637 3.625 20 0 JHADRO CCOCCOc1cc(C)ccc1Cn1c(Cc2ccncc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001314502770 1070438738 /nfs/dbraw/zinc/43/87/38/1070438738.db2.gz IDIPBJUCBXSMMF-UHFFFAOYSA-N 1 0 492.668 3.956 20 0 JHADRO COC(=O)COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)cc1 ZINC001308792031 1070438798 /nfs/dbraw/zinc/43/87/98/1070438798.db2.gz GYQNQMZSRGGZNX-ZEQRLZLVSA-N 1 0 452.551 3.765 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001313466756 1070439870 /nfs/dbraw/zinc/43/98/70/1070439870.db2.gz WICOBHJMQBVQSQ-NHCUHLMSSA-N 1 0 460.667 3.527 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001313467040 1070441891 /nfs/dbraw/zinc/44/18/91/1070441891.db2.gz VFNVYUIEQYHZJT-QHCPKHFHSA-N 1 0 496.700 3.885 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001313467208 1070441937 /nfs/dbraw/zinc/44/19/37/1070441937.db2.gz ZRCLNHALOKXDRX-ZRBLBEILSA-N 1 0 474.694 3.630 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C[C@H]1c1ccc(Br)cc1 ZINC001308828576 1070444234 /nfs/dbraw/zinc/44/42/34/1070444234.db2.gz SLGUSFSMZBPSMN-DLBZAZTESA-N 1 0 461.381 3.751 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001313467771 1070444518 /nfs/dbraw/zinc/44/45/18/1070444518.db2.gz SOFVKCLEGXMGTD-HSZRJFAPSA-N 1 0 452.647 3.810 20 0 JHADRO CNC(=O)[C@H](C[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)Cc1ccc(OC)c(F)c1 ZINC001308835537 1070445287 /nfs/dbraw/zinc/44/52/87/1070445287.db2.gz HHXYJSLQXXBNCA-YTQUADARSA-N 1 0 451.583 3.507 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001314505554 1070448832 /nfs/dbraw/zinc/44/88/32/1070448832.db2.gz XAXXDIXIBQSHCG-UHFFFAOYSA-N 1 0 475.703 3.986 20 0 JHADRO C[C@@H](C[N@H+](C)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1)NC(=O)OC(C)(C)C ZINC001308885923 1070454272 /nfs/dbraw/zinc/45/42/72/1070454272.db2.gz LQEYHBHGYKRSJH-KRWDZBQOSA-N 1 0 452.596 3.682 20 0 JHADRO CC(C)(C)OC(=O)CN1CCC([NH2+][C@@H]2CC[C@@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001308904757 1070457591 /nfs/dbraw/zinc/45/75/91/1070457591.db2.gz SJRBMQVCVAAHBN-CEWLAPEOSA-N 1 0 451.652 3.950 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313470713 1070457793 /nfs/dbraw/zinc/45/77/93/1070457793.db2.gz ZNXXFFJANZZQQF-WOJBJXKFSA-N 1 0 469.678 3.772 20 0 JHADRO COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)c1C ZINC001308913396 1070459066 /nfs/dbraw/zinc/45/90/66/1070459066.db2.gz PBEZGTFZVLFKNZ-DEOSSOPVSA-N 1 0 450.624 3.826 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001313471158 1070460154 /nfs/dbraw/zinc/46/01/54/1070460154.db2.gz DDJKCUPGMAGXGE-NRFANRHFSA-N 1 0 450.587 3.584 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001314508762 1070460202 /nfs/dbraw/zinc/46/02/02/1070460202.db2.gz GCHIMDLDDCSGHK-UHFFFAOYSA-N 1 0 465.639 3.607 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCC[NH+]2CCCCC2)CC1 ZINC001314510232 1070465008 /nfs/dbraw/zinc/46/50/08/1070465008.db2.gz SXEGWMDVQWCUOW-UHFFFAOYSA-N 1 0 459.660 3.533 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cnn1C ZINC001308952848 1070465287 /nfs/dbraw/zinc/46/52/87/1070465287.db2.gz NOFFICFHVFTEQB-IRFCIJBXSA-N 1 0 479.666 3.695 20 0 JHADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001308934498 1070461270 /nfs/dbraw/zinc/46/12/70/1070461270.db2.gz CMTSUMISSGEPFE-AZUAARDMSA-N 1 0 454.656 3.601 20 0 JHADRO CC(C)(C)OC(=O)NC1(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CCOCC1 ZINC001308932095 1070461421 /nfs/dbraw/zinc/46/14/21/1070461421.db2.gz XBQHODZCZUTQJA-OTWHNJEPSA-N 1 0 453.624 3.828 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001314508996 1070461603 /nfs/dbraw/zinc/46/16/03/1070461603.db2.gz CITDCCLNHGAROV-UHFFFAOYSA-N 1 0 494.105 3.802 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001313471361 1070461633 /nfs/dbraw/zinc/46/16/33/1070461633.db2.gz IVQIRWCRMCTKPW-UHFFFAOYSA-N 1 0 468.646 3.571 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001313471543 1070462760 /nfs/dbraw/zinc/46/27/60/1070462760.db2.gz PBGQNXLRNCXALV-JOCHJYFZSA-N 1 0 454.663 3.972 20 0 JHADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[C@@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)CCC1 ZINC001308939062 1070463167 /nfs/dbraw/zinc/46/31/67/1070463167.db2.gz SMCFJWXKTVMFHM-IPMKNSEASA-N 1 0 457.681 3.785 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001308963578 1070467505 /nfs/dbraw/zinc/46/75/05/1070467505.db2.gz NRTADOYSZYFZHX-SJLPKXTDSA-N 1 0 468.436 3.878 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001313472586 1070467831 /nfs/dbraw/zinc/46/78/31/1070467831.db2.gz OFQRENCKAYKEGR-SFTDATJTSA-N 1 0 488.721 3.641 20 0 JHADRO C[C@@H]([NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001308970221 1070468579 /nfs/dbraw/zinc/46/85/79/1070468579.db2.gz FKFAZPZGCJXRNB-OFJUKXEISA-N 1 0 458.521 3.626 20 0 JHADRO C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001308988545 1070471716 /nfs/dbraw/zinc/47/17/16/1070471716.db2.gz VRBGKAPDPNWIFJ-VNTMZGSJSA-N 1 0 455.640 3.762 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001314511835 1070471771 /nfs/dbraw/zinc/47/17/71/1070471771.db2.gz CBQKCCSVWHSBFM-HUUCEWRRSA-N 1 0 488.485 3.994 20 0 JHADRO COc1ccc(Br)c(S(=O)(=O)N(CCC[NH+](C)C)Cc2ccccc2)c1F ZINC001308993237 1070473227 /nfs/dbraw/zinc/47/32/27/1070473227.db2.gz NJZRAMVYGYXQET-UHFFFAOYSA-N 1 0 459.381 3.739 20 0 JHADRO CCCNC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001313477021 1070483144 /nfs/dbraw/zinc/48/31/44/1070483144.db2.gz QANAVZRIYQHWAW-UHFFFAOYSA-N 1 0 494.482 3.509 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001314514392 1070483403 /nfs/dbraw/zinc/48/34/03/1070483403.db2.gz ZJYLECVRMDGSKV-SIKLNZKXSA-N 1 0 485.654 3.771 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314519878 1070503076 /nfs/dbraw/zinc/50/30/76/1070503076.db2.gz BZNPREHXPZVQBS-MOPGFXCFSA-N 1 0 497.656 3.527 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001314522206 1070510052 /nfs/dbraw/zinc/51/00/52/1070510052.db2.gz FTAMXEKMZSSQSH-FQEVSTJZSA-N 1 0 495.093 3.662 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001313490121 1070510564 /nfs/dbraw/zinc/51/05/64/1070510564.db2.gz RBZRCVURUQIDHK-FQEVSTJZSA-N 1 0 454.663 3.937 20 0 JHADRO COc1ccccc1-n1cc(S(=O)(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cn1 ZINC001309058741 1070513762 /nfs/dbraw/zinc/51/37/62/1070513762.db2.gz SSAPNUKKZVBUEK-LJQANCHMSA-N 1 0 454.596 3.734 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314526695 1070517828 /nfs/dbraw/zinc/51/78/28/1070517828.db2.gz GXLXSWLLWZHNQU-DVECYGJZSA-N 1 0 496.121 3.904 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001313493247 1070514230 /nfs/dbraw/zinc/51/42/30/1070514230.db2.gz WZIZUKKCIIGANW-SFTDATJTSA-N 1 0 468.646 3.571 20 0 JHADRO CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314528513 1070520842 /nfs/dbraw/zinc/52/08/42/1070520842.db2.gz MHBFCTDKEOOSRY-SFHVURJKSA-N 1 0 498.093 3.817 20 0 JHADRO CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001314533598 1070528197 /nfs/dbraw/zinc/52/81/97/1070528197.db2.gz LWUWEBTYPGJLQB-IRLDBZIGSA-N 1 0 491.677 3.534 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CCC)cc1OC ZINC001313503856 1070535273 /nfs/dbraw/zinc/53/52/73/1070535273.db2.gz CGLCXFVFMNTEFQ-HXUWFJFHSA-N 1 0 457.619 3.701 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001313503876 1070535488 /nfs/dbraw/zinc/53/54/88/1070535488.db2.gz UNECGEKREIXPOX-OYRHEFFESA-N 1 0 484.689 3.861 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCOCC3)n2C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC001313504960 1070541055 /nfs/dbraw/zinc/54/10/55/1070541055.db2.gz IQWIXFSHWQIUIO-HXUWFJFHSA-N 1 0 457.619 3.701 20 0 JHADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001309102268 1070541072 /nfs/dbraw/zinc/54/10/72/1070541072.db2.gz CAXXHNBJNTWMOC-ZDUSSCGKSA-N 1 0 458.428 3.809 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCC(=O)NC(C)(C)C)cc1OC ZINC001313505142 1070541334 /nfs/dbraw/zinc/54/13/34/1070541334.db2.gz XIFDNMBHURXPKO-CTNGQTDRSA-N 1 0 498.672 3.720 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC001313505681 1070545042 /nfs/dbraw/zinc/54/50/42/1070545042.db2.gz LQKQTOARQRRVHF-DFBJGRDBSA-N 1 0 489.686 3.795 20 0 JHADRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1c(F)cc(Br)cc1F ZINC001309128505 1070554600 /nfs/dbraw/zinc/55/46/00/1070554600.db2.gz ZWFDVNSBPVFKCP-UHFFFAOYSA-N 1 0 451.308 3.619 20 0 JHADRO CC[S@](=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001314559817 1070561296 /nfs/dbraw/zinc/56/12/96/1070561296.db2.gz OMTBNDYQIYWSJZ-ASPBEGMCSA-N 1 0 477.650 3.781 20 0 JHADRO CC[S@](=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001314560752 1070562329 /nfs/dbraw/zinc/56/23/29/1070562329.db2.gz UUWUJGMORAGNPC-CVCYQNGTSA-N 1 0 480.078 3.905 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001313514397 1070570917 /nfs/dbraw/zinc/57/09/17/1070570917.db2.gz UBFDWFRTCURLIP-NXMSCROESA-N 1 0 493.599 3.537 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@H](OC)C3)n2CC2([NH+](C)C)CCCC2)cc1OC ZINC001313513474 1070567782 /nfs/dbraw/zinc/56/77/82/1070567782.db2.gz KFVXFIBENZHWTP-FQEVSTJZSA-N 1 0 457.619 3.842 20 0 JHADRO CCCOc1ncccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001313519992 1070585263 /nfs/dbraw/zinc/58/52/63/1070585263.db2.gz NVUFXQVIFFOQHN-XMMPIXPASA-N 1 0 492.668 3.954 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001314577348 1070586565 /nfs/dbraw/zinc/58/65/65/1070586565.db2.gz PDDHSHQDNUWNTC-KGLIPLIRSA-N 1 0 465.027 3.777 20 0 JHADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cc(Br)cc(Br)c1)C(C)(C)C ZINC001309180022 1070588121 /nfs/dbraw/zinc/58/81/21/1070588121.db2.gz YHMVWPHGQQUMKR-CQSZACIVSA-N 1 0 456.244 3.856 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001313522427 1070591876 /nfs/dbraw/zinc/59/18/76/1070591876.db2.gz IKDPKJVHRZODNS-XMMPIXPASA-N 1 0 469.674 3.960 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CC[N@H+](CC)C2)n1 ZINC001314583044 1070597910 /nfs/dbraw/zinc/59/79/10/1070597910.db2.gz OENBFZUUPAMONW-IAGOWNOFSA-N 1 0 456.620 3.515 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[N@@H+]2CC)n1 ZINC001314583076 1070598031 /nfs/dbraw/zinc/59/80/31/1070598031.db2.gz OODFVDAXZYFIQN-ZWKOTPCHSA-N 1 0 470.647 3.966 20 0 JHADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNS(=O)(=O)c2cccc3ccoc32)CC1 ZINC001309199207 1070599789 /nfs/dbraw/zinc/59/97/89/1070599789.db2.gz OPBPIOZHJLQUAU-UHFFFAOYSA-N 1 0 453.486 3.682 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc([C@H]3CCCCO3)n2CC2([NH+](C)C)CCC2)n1 ZINC001314584515 1070601827 /nfs/dbraw/zinc/60/18/27/1070601827.db2.gz UQQNFJQERISCQA-DLBZAZTESA-N 1 0 463.652 3.838 20 0 JHADRO CCCOCc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313528901 1070608085 /nfs/dbraw/zinc/60/80/85/1070608085.db2.gz FUZRZWBVAFSZFY-UHFFFAOYSA-N 1 0 491.640 3.821 20 0 JHADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1Cl ZINC001309217035 1070615071 /nfs/dbraw/zinc/61/50/71/1070615071.db2.gz BWATXXKRURXFAR-FZKQIMNGSA-N 1 0 458.005 3.941 20 0 JHADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1Cl ZINC001309217037 1070615136 /nfs/dbraw/zinc/61/51/36/1070615136.db2.gz BWATXXKRURXFAR-UGSOOPFHSA-N 1 0 458.005 3.941 20 0 JHADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC001309219086 1070618099 /nfs/dbraw/zinc/61/80/99/1070618099.db2.gz MIAIIKMZLNMJDU-KUHUBIRLSA-N 1 0 457.017 3.940 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313543152 1070639728 /nfs/dbraw/zinc/63/97/28/1070639728.db2.gz DXANSWYJKWMHNO-SFTDATJTSA-N 1 0 490.693 3.740 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313543146 1070639765 /nfs/dbraw/zinc/63/97/65/1070639765.db2.gz DXANSWYJKWMHNO-LEWJYISDSA-N 1 0 490.693 3.740 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001313543302 1070641205 /nfs/dbraw/zinc/64/12/05/1070641205.db2.gz HVHIMUOLBMBKCI-HXUWFJFHSA-N 1 0 490.693 3.882 20 0 JHADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)nc1F ZINC001309246656 1070641664 /nfs/dbraw/zinc/64/16/64/1070641664.db2.gz MCAHVSGAVOVCLE-MRXNPFEDSA-N 1 0 456.381 3.516 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001313543623 1070641937 /nfs/dbraw/zinc/64/19/37/1070641937.db2.gz INVHLROEUJZHEF-LJQANCHMSA-N 1 0 488.681 3.635 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2ccccc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001313544173 1070643302 /nfs/dbraw/zinc/64/33/02/1070643302.db2.gz SETKYYCSAQYWJG-OAQYLSRUSA-N 1 0 498.672 3.892 20 0 JHADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC001309258128 1070650291 /nfs/dbraw/zinc/65/02/91/1070650291.db2.gz POTCMQUJIIARBS-OAQYLSRUSA-N 1 0 458.632 3.518 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001314601073 1070650074 /nfs/dbraw/zinc/65/00/74/1070650074.db2.gz QBPSSPDEGGLKDH-YADHBBJMSA-N 1 0 470.687 3.929 20 0 JHADRO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001309261853 1070653115 /nfs/dbraw/zinc/65/31/15/1070653115.db2.gz NXNDRSFSFSHFAP-IRLDBZIGSA-N 1 0 457.640 3.890 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001313545960 1070653326 /nfs/dbraw/zinc/65/33/26/1070653326.db2.gz NAYIYAATOOKWOI-GGAORHGYSA-N 1 0 497.688 3.974 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001314603950 1070659177 /nfs/dbraw/zinc/65/91/77/1070659177.db2.gz OBKNIHDIYREQLA-VSKRKVRLSA-N 1 0 464.724 3.658 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001314604987 1070661186 /nfs/dbraw/zinc/66/11/86/1070661186.db2.gz VPCKKXPBAWXTEP-NZQKXSOJSA-N 1 0 460.717 3.813 20 0 JHADRO Cc1ccc(S(=O)(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1C(=O)OC(C)C ZINC001309283816 1070668390 /nfs/dbraw/zinc/66/83/90/1070668390.db2.gz WCJLOUOUZUKEJD-PMACEKPBSA-N 1 0 458.624 3.995 20 0 JHADRO CCSCC[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001314610210 1070672962 /nfs/dbraw/zinc/67/29/62/1070672962.db2.gz PEOQJTJKSHSXNV-RBUKOAKNSA-N 1 0 480.748 3.559 20 0 JHADRO CCSCC[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001314610209 1070673061 /nfs/dbraw/zinc/67/30/61/1070673061.db2.gz PEOQJTJKSHSXNV-OALUTQOASA-N 1 0 480.748 3.559 20 0 JHADRO CCSCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001314612097 1070677638 /nfs/dbraw/zinc/67/76/38/1070677638.db2.gz WWFCFYMTLJSUHI-MSOLQXFVSA-N 1 0 462.664 3.848 20 0 JHADRO CCSCC[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314615302 1070685124 /nfs/dbraw/zinc/68/51/24/1070685124.db2.gz QQRNTJJDPHMKHK-LWYYNNOASA-N 1 0 453.697 3.985 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CCCC[C@@H](SC)C2)c1 ZINC001313571617 1070686064 /nfs/dbraw/zinc/68/60/64/1070686064.db2.gz ASLRYSWVQLCZCN-OAQYLSRUSA-N 1 0 451.644 3.957 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)[C@H](OC)C2)c1 ZINC001313573201 1070687527 /nfs/dbraw/zinc/68/75/27/1070687527.db2.gz CXRHGHYBSVNUCC-SIKLNZKXSA-N 1 0 496.681 3.631 20 0 JHADRO CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C)C1CCCC1 ZINC001313573493 1070688066 /nfs/dbraw/zinc/68/80/66/1070688066.db2.gz SUGSQVSQEFZXCV-QFIPXVFZSA-N 1 0 454.619 3.595 20 0 JHADRO CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1(OC)CCC(C)CC1 ZINC001313566105 1070681279 /nfs/dbraw/zinc/68/12/79/1070681279.db2.gz ZNRFAWCMGBEAHD-UHFFFAOYSA-N 1 0 454.663 3.694 20 0 JHADRO CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCC[NH+]1CCCCC1 ZINC001313568814 1070682443 /nfs/dbraw/zinc/68/24/43/1070682443.db2.gz MYGFBRVBLYJPEQ-FQEVSTJZSA-N 1 0 464.655 3.699 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C)s2)c1 ZINC001313575544 1070691121 /nfs/dbraw/zinc/69/11/21/1070691121.db2.gz QKJICXJCBPAXNO-NRFANRHFSA-N 1 0 487.695 3.687 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C(C)C)C2)c1 ZINC001313575830 1070691303 /nfs/dbraw/zinc/69/13/03/1070691303.db2.gz SQLFIGWMAUUBKI-JOCHJYFZSA-N 1 0 496.681 3.631 20 0 JHADRO CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(SC)CC[NH+](C)CC1)C1CC1 ZINC001313575917 1070691907 /nfs/dbraw/zinc/69/19/07/1070691907.db2.gz ATUOATFDXZHBPO-UHFFFAOYSA-N 1 0 477.078 3.678 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001314620157 1070697687 /nfs/dbraw/zinc/69/76/87/1070697687.db2.gz JZVGTEFJPCQYKQ-QFIPXVFZSA-N 1 0 498.672 3.628 20 0 JHADRO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC001313580989 1070701043 /nfs/dbraw/zinc/70/10/43/1070701043.db2.gz AMRUZURPOSNYAW-HXUWFJFHSA-N 1 0 488.702 3.696 20 0 JHADRO CCN(c1nnc(-c2cccc(Cl)c2)n1CCC[NH+]1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001313582860 1070704570 /nfs/dbraw/zinc/70/45/70/1070704570.db2.gz AWAFMYLTSHQJND-NRFANRHFSA-N 1 0 480.078 3.734 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCC2)C1 ZINC001314623518 1070705622 /nfs/dbraw/zinc/70/56/22/1070705622.db2.gz DYCVCBJUFVSWAF-OAQYLSRUSA-N 1 0 454.619 3.877 20 0 JHADRO CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001313583583 1070706693 /nfs/dbraw/zinc/70/66/93/1070706693.db2.gz UIRKTORVJRMYRU-NQIIRXRSSA-N 1 0 480.078 3.732 20 0 JHADRO CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C[NH+](C)C)[C@H](C)C1CCC1 ZINC001313585259 1070710107 /nfs/dbraw/zinc/71/01/07/1070710107.db2.gz VIXNMCJBEPKRKN-GOSISDBHSA-N 1 0 461.676 3.951 20 0 JHADRO CN(C)C(=O)C1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCCC1 ZINC001314625486 1070713077 /nfs/dbraw/zinc/71/30/77/1070713077.db2.gz FUNDSDUBLFVOCK-UHFFFAOYSA-N 1 0 484.664 3.967 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)[NH+]1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001313588005 1070714838 /nfs/dbraw/zinc/71/48/38/1070714838.db2.gz OUCYLXWIPJFHPM-MJGOQNOKSA-N 1 0 498.068 3.871 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[N@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313588566 1070716024 /nfs/dbraw/zinc/71/60/24/1070716024.db2.gz WJDFVQLVWRREBF-QGZVFWFLSA-N 1 0 488.485 3.996 20 0 JHADRO COc1ccc(S(=O)(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc12 ZINC001309354768 1070717164 /nfs/dbraw/zinc/71/71/64/1070717164.db2.gz PRGXWTBGDUKOLB-UHFFFAOYSA-N 1 0 454.592 3.844 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2cccn2C)nnc1N(C)CCc1ccc(Cl)cc1 ZINC001314627881 1070722243 /nfs/dbraw/zinc/72/22/43/1070722243.db2.gz DFGJFKCUOMUZFZ-QHCPKHFHSA-N 1 0 498.075 3.559 20 0 JHADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc(Br)cc(Br)c1 ZINC001309363973 1070725444 /nfs/dbraw/zinc/72/54/44/1070725444.db2.gz ZRHQFQYDIMMESH-NSHDSACASA-N 1 0 454.228 3.562 20 0 JHADRO CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1)C(C)C ZINC001313603510 1070726280 /nfs/dbraw/zinc/72/62/80/1070726280.db2.gz COGCVLQQCXMKAQ-UHFFFAOYSA-N 1 0 454.667 3.809 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001314629234 1070726866 /nfs/dbraw/zinc/72/68/66/1070726866.db2.gz YQZKHEDJLNIBSO-WOJBJXKFSA-N 1 0 476.666 3.840 20 0 JHADRO CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313608541 1070732899 /nfs/dbraw/zinc/73/28/99/1070732899.db2.gz CFGVYGSVMZPQHF-DENIHFKCSA-N 1 0 494.105 3.800 20 0 JHADRO CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCc1ccccc1Br ZINC001309376385 1070733155 /nfs/dbraw/zinc/73/31/55/1070733155.db2.gz CNZGLHQMSZXGKD-FQEVSTJZSA-N 1 0 451.430 3.918 20 0 JHADRO CN(C)C(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001314635716 1070740158 /nfs/dbraw/zinc/74/01/58/1070740158.db2.gz FSXZENMSTCKLAW-UHFFFAOYSA-N 1 0 463.001 3.671 20 0 JHADRO CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCCCC1)C1CC1 ZINC001313609896 1070734822 /nfs/dbraw/zinc/73/48/22/1070734822.db2.gz RMJGCIUPDMZCDF-TZIWHRDSSA-N 1 0 476.666 3.697 20 0 JHADRO CN(C)C(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001314643925 1070745454 /nfs/dbraw/zinc/74/54/54/1070745454.db2.gz SCKUXNBXIKOEED-UHFFFAOYSA-N 1 0 477.078 3.767 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(C)(C)C)C1)c1ccc(F)cc1 ZINC001314646753 1070747131 /nfs/dbraw/zinc/74/71/31/1070747131.db2.gz CNYQNBJQJVPUAF-CTNGQTDRSA-N 1 0 456.610 3.829 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(C)(C)C)C1)c1ccc(F)cc1 ZINC001314646754 1070747159 /nfs/dbraw/zinc/74/71/59/1070747159.db2.gz CNYQNBJQJVPUAF-FPOVZHCZSA-N 1 0 456.610 3.829 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(N)=O)C1)c1ccsc1 ZINC001314647895 1070751162 /nfs/dbraw/zinc/75/11/62/1070751162.db2.gz FZBUNFZHWLYASI-GHTZIAJQSA-N 1 0 466.655 3.919 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(N)=O)C1)c1ccsc1 ZINC001314647900 1070751385 /nfs/dbraw/zinc/75/13/85/1070751385.db2.gz FZBUNFZHWLYASI-RXVVDRJESA-N 1 0 466.655 3.919 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)C1)C1CCCCC1 ZINC001314648765 1070753055 /nfs/dbraw/zinc/75/30/55/1070753055.db2.gz PAXBULCOHIGMRG-LJQANCHMSA-N 1 0 465.429 3.699 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccsc1 ZINC001314649060 1070754143 /nfs/dbraw/zinc/75/41/43/1070754143.db2.gz LCBMQGCHWCQZMN-IRXDYDNUSA-N 1 0 470.565 3.762 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314649142 1070754895 /nfs/dbraw/zinc/75/48/95/1070754895.db2.gz SLPPYHPCKUIESI-HKUYNNGSSA-N 1 0 483.642 3.808 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[N@@H+]1CC ZINC001313627075 1070756106 /nfs/dbraw/zinc/75/61/06/1070756106.db2.gz ICHWNMPMDHDXHR-IBGZPJMESA-N 1 0 461.680 3.513 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1)c1ccc(F)cc1 ZINC001314649720 1070756732 /nfs/dbraw/zinc/75/67/32/1070756732.db2.gz DJSOYCMAXUMMSL-NHCUHLMSSA-N 1 0 456.610 3.510 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001313627069 1070756730 /nfs/dbraw/zinc/75/67/30/1070756730.db2.gz QBCDOYCBAMFMSP-HXUWFJFHSA-N 1 0 451.623 3.668 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)c1ccccc1 ZINC001314650290 1070758817 /nfs/dbraw/zinc/75/88/17/1070758817.db2.gz HNHWTVCISRYMBH-OALUTQOASA-N 1 0 480.579 3.674 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CCCO)CC1)c1cccc(F)c1 ZINC001314650359 1070758920 /nfs/dbraw/zinc/75/89/20/1070758920.db2.gz HWBCIUORYDABPN-XZOQPEGZSA-N 1 0 459.610 3.951 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314650649 1070759389 /nfs/dbraw/zinc/75/93/89/1070759389.db2.gz KUXYTMGTZYSODN-GBESFXJTSA-N 1 0 490.674 3.640 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)CCSC1 ZINC001314651303 1070760701 /nfs/dbraw/zinc/76/07/01/1070760701.db2.gz BVOMXLNZQVFJHF-NRFANRHFSA-N 1 0 497.591 3.532 20 0 JHADRO CCN(CC(C)C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001313630467 1070760936 /nfs/dbraw/zinc/76/09/36/1070760936.db2.gz NQDQJFWBZVOSRS-FCHUYYIVSA-N 1 0 454.619 3.557 20 0 JHADRO CCN(CC(C)C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001313630469 1070761144 /nfs/dbraw/zinc/76/11/44/1070761144.db2.gz NQDQJFWBZVOSRS-VXKWHMMOSA-N 1 0 454.619 3.557 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCCCCCC1)c1ccco1 ZINC001314651373 1070761406 /nfs/dbraw/zinc/76/14/06/1070761406.db2.gz AWMZNONFJSOBFH-GOSISDBHSA-N 1 0 456.616 3.936 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC(F)(F)F)CC2CC2)CCSC1 ZINC001314651884 1070761868 /nfs/dbraw/zinc/76/18/68/1070761868.db2.gz FCPWMXODDAJCGB-NRFANRHFSA-N 1 0 497.591 3.532 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3Br)nnc2N2CCC(CO)CC2)CCCC1 ZINC001314651794 1070761973 /nfs/dbraw/zinc/76/19/73/1070761973.db2.gz ATNUXPLBCIPAEC-UHFFFAOYSA-N 1 0 462.436 3.791 20 0 JHADRO Cn1cc(-c2nnc(N3CCC=C(Br)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cn1 ZINC001314652378 1070763010 /nfs/dbraw/zinc/76/30/10/1070763010.db2.gz YMKQWCKEEBTLAG-LJQANCHMSA-N 1 0 462.440 3.678 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)C1CC1 ZINC001314652631 1070763532 /nfs/dbraw/zinc/76/35/32/1070763532.db2.gz AAQROMBYNMQDNA-LJQANCHMSA-N 1 0 467.511 3.696 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(CCCO)CC2)CCSC1 ZINC001314652810 1070764149 /nfs/dbraw/zinc/76/41/49/1070764149.db2.gz JMRXXNGGBNUBQB-DEOSSOPVSA-N 1 0 495.640 3.973 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001314652865 1070764201 /nfs/dbraw/zinc/76/42/01/1070764201.db2.gz IXQKYGAYLRCSTG-YPAWHYETSA-N 1 0 484.645 3.926 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3Br)nnc2N2CCN(CC(F)F)CC2)CCC1 ZINC001314654341 1070768147 /nfs/dbraw/zinc/76/81/47/1070768147.db2.gz YZUJRQKXLGDEHN-UHFFFAOYSA-N 1 0 483.405 3.579 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1)c1cccs1 ZINC001314656560 1070775645 /nfs/dbraw/zinc/77/56/45/1070775645.db2.gz PXLGJMJMQMWMJX-PMACEKPBSA-N 1 0 472.703 3.974 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314656786 1070775666 /nfs/dbraw/zinc/77/56/66/1070775666.db2.gz SMHJDKPFIIMBGF-UYAOXDASSA-N 1 0 474.675 3.622 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001314654368 1070769119 /nfs/dbraw/zinc/76/91/19/1070769119.db2.gz GJVYNBUFVJPPBL-FGZHOGPDSA-N 1 0 494.105 3.656 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC2CC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC001314655376 1070772178 /nfs/dbraw/zinc/77/21/78/1070772178.db2.gz POSYHBWLZATCDM-ICSRJNTNSA-N 1 0 474.675 3.946 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(C3CCCC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CCSC1 ZINC001314657242 1070776399 /nfs/dbraw/zinc/77/63/99/1070776399.db2.gz VJVLLBHMAVLNGG-XMMPIXPASA-N 1 0 478.707 3.867 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)c1ccco1 ZINC001314656394 1070775257 /nfs/dbraw/zinc/77/52/57/1070775257.db2.gz YCRLPYMHSAQFHI-HXUWFJFHSA-N 1 0 471.650 3.537 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccn3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CCC1 ZINC001314657543 1070776748 /nfs/dbraw/zinc/77/67/48/1070776748.db2.gz YJDZOLDFLGWWGG-LJQANCHMSA-N 1 0 469.634 3.566 20 0 JHADRO C[NH+](C)C1(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CCCC1 ZINC001314657885 1070777760 /nfs/dbraw/zinc/77/77/60/1070777760.db2.gz JCJLMNRGBBKMAU-SFHVURJKSA-N 1 0 471.499 3.638 20 0 JHADRO C[NH+](C)C1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCCC1 ZINC001314658296 1070778761 /nfs/dbraw/zinc/77/87/61/1070778761.db2.gz XGJRROOJVCWRFE-LJQANCHMSA-N 1 0 498.118 3.722 20 0 JHADRO C[NH+](C)C1(Cn2c(CC3CC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)CCCC1 ZINC001314658181 1070779011 /nfs/dbraw/zinc/77/90/11/1070779011.db2.gz UEAVPYPEKQZXTM-UHFFFAOYSA-N 1 0 460.667 3.846 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCCC1 ZINC001313638362 1070779177 /nfs/dbraw/zinc/77/91/77/1070779177.db2.gz HMFREKWZJMYTFC-NRFANRHFSA-N 1 0 487.446 4.000 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(N3CCN(c4cc(F)ccc4F)CC3)nnc2C(C)(C)C)CCSC1 ZINC001314659257 1070781242 /nfs/dbraw/zinc/78/12/42/1070781242.db2.gz CCBAHLHKTLIPSX-HSZRJFAPSA-N 1 0 464.630 3.618 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001313640164 1070784491 /nfs/dbraw/zinc/78/44/91/1070784491.db2.gz LXCZGMZXVHEYGW-OYRHQHFDSA-N 1 0 496.700 3.750 20 0 JHADRO Cn1cnnc1[C@H]1CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)C[NH+](C)C ZINC001314663310 1070791140 /nfs/dbraw/zinc/79/11/40/1070791140.db2.gz QYKLIXWVNASIDK-GOSISDBHSA-N 1 0 474.560 3.604 20 0 JHADRO Cn1cnnc1[C@@H]1CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)C[NH+](C)C ZINC001314663312 1070791220 /nfs/dbraw/zinc/79/12/20/1070791220.db2.gz QYKLIXWVNASIDK-SFHVURJKSA-N 1 0 474.560 3.604 20 0 JHADRO C[NH+](C)C1(Cn2c(N3CCC[C@@H](S(=O)(=O)NC4CCCC4)C3)nnc2C(C)(C)C)CCCCC1 ZINC001314661313 1070786286 /nfs/dbraw/zinc/78/62/86/1070786286.db2.gz VKTGQHAFSXNIGX-OAQYLSRUSA-N 1 0 494.750 3.671 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nnc2C(C)(C)C)CCSC1 ZINC001314661633 1070786537 /nfs/dbraw/zinc/78/65/37/1070786537.db2.gz ZFXJMIOQLIAWGP-DEOSSOPVSA-N 1 0 491.105 3.629 20 0 JHADRO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001313643901 1070794579 /nfs/dbraw/zinc/79/45/79/1070794579.db2.gz DEWJMLMFQXQYRB-NHCUHLMSSA-N 1 0 472.703 3.747 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)C[NH+](C)C ZINC001314665064 1070796099 /nfs/dbraw/zinc/79/60/99/1070796099.db2.gz AABXSIHBHOJHAJ-UHFFFAOYSA-N 1 0 465.980 3.758 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001314665330 1070796642 /nfs/dbraw/zinc/79/66/42/1070796642.db2.gz AGITVOMKCKMFEA-NRFANRHFSA-N 1 0 495.697 3.938 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC(c2ccccc2CO)CC1 ZINC001314665477 1070797123 /nfs/dbraw/zinc/79/71/23/1070797123.db2.gz HTGIXXBNRJBXFR-UHFFFAOYSA-N 1 0 462.642 3.728 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001314665339 1070797301 /nfs/dbraw/zinc/79/73/01/1070797301.db2.gz GWGPKBZBFZOXNC-LJQANCHMSA-N 1 0 493.578 3.652 20 0 JHADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC001309486522 1070801314 /nfs/dbraw/zinc/80/13/14/1070801314.db2.gz RZZVAMGTLJYRHQ-NRFANRHFSA-N 1 0 450.004 3.828 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001314666031 1070798286 /nfs/dbraw/zinc/79/82/86/1070798286.db2.gz PKVOICNCYGEUIS-RUZDIDTESA-N 1 0 477.600 3.509 20 0 JHADRO CN(Cc1cscn1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001314666813 1070800298 /nfs/dbraw/zinc/80/02/98/1070800298.db2.gz XRCSZFLHAGKYSR-CALCHBBNSA-N 1 0 477.679 3.730 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667488 1070801661 /nfs/dbraw/zinc/80/16/61/1070801661.db2.gz MKDBNBZXSBZUSB-UHFFFAOYSA-N 1 0 490.559 3.900 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667580 1070802668 /nfs/dbraw/zinc/80/26/68/1070802668.db2.gz PSXQJNUJBQTNIW-QHCPKHFHSA-N 1 0 491.684 3.772 20 0 JHADRO C[NH+](C)CCCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C(C)(C)C)C2)cc1 ZINC001314668049 1070803330 /nfs/dbraw/zinc/80/33/30/1070803330.db2.gz YXBPTCWYXRHGQS-DEOSSOPVSA-N 1 0 478.641 3.970 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001314668643 1070805585 /nfs/dbraw/zinc/80/55/85/1070805585.db2.gz UEAZQYYOPAHIFC-IBGZPJMESA-N 1 0 476.620 3.521 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001314668873 1070806120 /nfs/dbraw/zinc/80/61/20/1070806120.db2.gz RRLVTSFKUOCMTP-GOTSBHOMSA-N 1 0 471.646 3.760 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOCC[NH+](C)C ZINC001314669584 1070808547 /nfs/dbraw/zinc/80/85/47/1070808547.db2.gz CIKVIOZOIFDFPC-UHFFFAOYSA-N 1 0 474.053 3.844 20 0 JHADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001313646938 1070810086 /nfs/dbraw/zinc/81/00/86/1070810086.db2.gz XQYNDRWGSOMTFH-UHFFFAOYSA-N 1 0 489.753 3.512 20 0 JHADRO CC[C@@H]1CN(CC)CCN1S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309495551 1070810452 /nfs/dbraw/zinc/81/04/52/1070810452.db2.gz OSSFBGOFWSVVLF-DSNGMDLFSA-N 1 0 459.631 3.540 20 0 JHADRO CN(CC1CCC1)c1nnc(-c2ccc(F)cc2Br)n1CCOCC[NH+](C)C ZINC001314670263 1070811150 /nfs/dbraw/zinc/81/11/50/1070811150.db2.gz JBFQMELFKAPSKK-UHFFFAOYSA-N 1 0 454.388 3.661 20 0 JHADRO C[NH+](C)CCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001314670562 1070811496 /nfs/dbraw/zinc/81/14/96/1070811496.db2.gz CJKNIOWEVFJHMQ-DEOSSOPVSA-N 1 0 480.053 3.730 20 0 JHADRO Cn1cc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC001314670434 1070811547 /nfs/dbraw/zinc/81/15/47/1070811547.db2.gz FMPGZLLWZKXZOY-MHZLTWQESA-N 1 0 495.672 3.503 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(C3CCC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001314670438 1070811845 /nfs/dbraw/zinc/81/18/45/1070811845.db2.gz FPJSSLKAMVUUMN-JOCHJYFZSA-N 1 0 498.672 3.832 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(C)(C)C)C2)cc1 ZINC001314672841 1070818267 /nfs/dbraw/zinc/81/82/67/1070818267.db2.gz VXVCMVOGKJITAU-QFIPXVFZSA-N 1 0 482.673 3.570 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001314672045 1070816438 /nfs/dbraw/zinc/81/64/38/1070816438.db2.gz WLICIRBXTFAUII-LJQANCHMSA-N 1 0 477.535 3.580 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c([C@H]3CCOC3)nnc2N2CC[C@@H](C(C)(C)C)C2)cc1 ZINC001314672086 1070816912 /nfs/dbraw/zinc/81/69/12/1070816912.db2.gz POMRNYSMUWNXIA-FCHUYYIVSA-N 1 0 455.647 3.838 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(N3CCC(n4cc(Cl)cn4)CC3)nnc2C(C)(C)C)CC1 ZINC001314672976 1070818739 /nfs/dbraw/zinc/81/87/39/1070818739.db2.gz ZIZALIPQXJNDNT-UHFFFAOYSA-N 1 0 477.101 3.541 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCC[NH+](C)C ZINC001314672944 1070818958 /nfs/dbraw/zinc/81/89/58/1070818958.db2.gz HLJMKXWMAOCJKH-IBGZPJMESA-N 1 0 478.018 3.720 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC001313651725 1070827278 /nfs/dbraw/zinc/82/72/78/1070827278.db2.gz JYLKQAKOFQRLBF-OAQYLSRUSA-N 1 0 467.662 3.634 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001313652229 1070829122 /nfs/dbraw/zinc/82/91/22/1070829122.db2.gz QVCNBGGNIFYBQI-RXVVDRJESA-N 1 0 491.080 3.843 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001313652385 1070829609 /nfs/dbraw/zinc/82/96/09/1070829609.db2.gz HQTOQULMWHBRBM-NRFANRHFSA-N 1 0 485.652 3.790 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001313653313 1070832529 /nfs/dbraw/zinc/83/25/29/1070832529.db2.gz AACDBADEDFPLSF-CJFMBICVSA-N 1 0 461.699 3.670 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001313655832 1070847073 /nfs/dbraw/zinc/84/70/73/1070847073.db2.gz ZTDGCIVLVVDRNO-OAQYLSRUSA-N 1 0 487.718 3.779 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001313655570 1070845465 /nfs/dbraw/zinc/84/54/65/1070845465.db2.gz PMNMBOAWPAJCES-DEOSSOPVSA-N 1 0 495.716 3.768 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001313655606 1070845852 /nfs/dbraw/zinc/84/58/52/1070845852.db2.gz QRWSHTXHPMQLEL-QFIPXVFZSA-N 1 0 497.688 3.540 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001313655987 1070847940 /nfs/dbraw/zinc/84/79/40/1070847940.db2.gz CDOQVSABQKBNRP-XMSQKQJNSA-N 1 0 489.661 3.953 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cnccn2)CC1 ZINC001313656028 1070847968 /nfs/dbraw/zinc/84/79/68/1070847968.db2.gz CVPVHIQPWWFDIH-VQTJNVASSA-N 1 0 499.063 3.918 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001313656191 1070848883 /nfs/dbraw/zinc/84/88/83/1070848883.db2.gz GOHVLJCTRDRVCS-OTOOWKAJSA-N 1 0 459.610 3.885 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC2(C1)CCOCC2 ZINC001313656282 1070849382 /nfs/dbraw/zinc/84/93/82/1070849382.db2.gz HMCDJVQWOXKWKV-QGZVFWFLSA-N 1 0 479.467 3.783 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001313656298 1070849833 /nfs/dbraw/zinc/84/98/33/1070849833.db2.gz AUFRNTWJPVMUDE-KURKYZTESA-N 1 0 461.632 3.679 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1C(C)C ZINC001313656287 1070849940 /nfs/dbraw/zinc/84/99/40/1070849940.db2.gz AQRLWPFIPAAXDS-KNQAVFIVSA-N 1 0 476.691 3.551 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](COC)C1 ZINC001313656438 1070850097 /nfs/dbraw/zinc/85/00/97/1070850097.db2.gz BSDBSRCAXRTFOM-MJGOQNOKSA-N 1 0 480.451 3.598 20 0 JHADRO CN(c1nnc([C@@H]2CCCCO2)n1CC[NH+]1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314690961 1070850767 /nfs/dbraw/zinc/85/07/67/1070850767.db2.gz ANKCBRZSENXXGO-NRFANRHFSA-N 1 0 476.666 3.841 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001313656659 1070851342 /nfs/dbraw/zinc/85/13/42/1070851342.db2.gz DXVUISKLIDVKRA-RXVVDRJESA-N 1 0 459.038 3.920 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001313657409 1070855451 /nfs/dbraw/zinc/85/54/51/1070855451.db2.gz RBHPWYKJOIZPMK-UNMCSNQZSA-N 1 0 497.688 3.759 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOCC2(CCC2)C1 ZINC001313656793 1070852261 /nfs/dbraw/zinc/85/22/61/1070852261.db2.gz LNQQPPPFGYDCMG-MRXNPFEDSA-N 1 0 465.440 3.773 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001313658088 1070859130 /nfs/dbraw/zinc/85/91/30/1070859130.db2.gz XCJJDSFYMYIJOH-SIBVEZHUSA-N 1 0 487.645 3.708 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C(N)=O)CC1 ZINC001313658938 1070860727 /nfs/dbraw/zinc/86/07/27/1070860727.db2.gz UWPMGTRZLLTMJI-QGZVFWFLSA-N 1 0 458.676 3.708 20 0 JHADRO COc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1F ZINC001309569475 1070864173 /nfs/dbraw/zinc/86/41/73/1070864173.db2.gz WCMQEVVJUMHFMH-JTHBVZDNSA-N 1 0 458.530 3.920 20 0 JHADRO CN(c1nnc(Cc2ccncc2)n1CC[S@@](=O)C(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314697160 1070861187 /nfs/dbraw/zinc/86/11/87/1070861187.db2.gz CNWLGWAFPYDUJI-PGUFJCEWSA-N 1 0 494.709 3.912 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC001313659034 1070861605 /nfs/dbraw/zinc/86/16/05/1070861605.db2.gz HALLKDRZFSEIIR-NFBKMPQASA-N 1 0 450.635 3.514 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001313660242 1070864946 /nfs/dbraw/zinc/86/49/46/1070864946.db2.gz PBWSTDSGMDXNCY-GOSISDBHSA-N 1 0 480.579 3.879 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@H]1CC=CCC1 ZINC001313663032 1070871714 /nfs/dbraw/zinc/87/17/14/1070871714.db2.gz ZTVFPBDYZQLBFY-PMACEKPBSA-N 1 0 463.630 3.715 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001313660710 1070866058 /nfs/dbraw/zinc/86/60/58/1070866058.db2.gz UJUCDUGPSPFFAP-FQEVSTJZSA-N 1 0 470.662 3.767 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001313660449 1070866427 /nfs/dbraw/zinc/86/64/27/1070866427.db2.gz QMGHNJFJRANMOD-TZIWHRDSSA-N 1 0 481.645 3.810 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001313661058 1070867435 /nfs/dbraw/zinc/86/74/35/1070867435.db2.gz CISKLCASCBJKQU-MRXNPFEDSA-N 1 0 466.615 3.726 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001313661585 1070868564 /nfs/dbraw/zinc/86/85/64/1070868564.db2.gz YDWXJYNVSBQLNS-TZIWHRDSSA-N 1 0 484.670 3.627 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCCC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001313662478 1070870601 /nfs/dbraw/zinc/87/06/01/1070870601.db2.gz AXCXGWDWOCJAEB-FQEVSTJZSA-N 1 0 454.667 3.906 20 0 JHADRO CCn1nc(-c2nnc(N(C)OC3CCCC3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313662726 1070870869 /nfs/dbraw/zinc/87/08/69/1070870869.db2.gz WNLIWTZZQFLMFL-GOSISDBHSA-N 1 0 467.618 3.716 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313663658 1070872963 /nfs/dbraw/zinc/87/29/63/1070872963.db2.gz KOPWKYNUSKXXGC-CTNGQTDRSA-N 1 0 456.635 3.594 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001313664489 1070876611 /nfs/dbraw/zinc/87/66/11/1070876611.db2.gz BHLLWUOIIOSMDQ-NRFANRHFSA-N 1 0 454.663 3.950 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2OC)CC1 ZINC001313665843 1070881642 /nfs/dbraw/zinc/88/16/42/1070881642.db2.gz SDSCTXIEVCFBOA-XUZZJYLKSA-N 1 0 470.662 3.581 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1)c1ccccc1 ZINC001313664560 1070877630 /nfs/dbraw/zinc/87/76/30/1070877630.db2.gz MLLBLKIMZNIAHN-RPWUZVMVSA-N 1 0 454.663 3.786 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1 ZINC001313664847 1070878196 /nfs/dbraw/zinc/87/81/96/1070878196.db2.gz ALOCMFWMUWKURL-UFYCRDLUSA-N 1 0 464.655 3.696 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001313665970 1070882717 /nfs/dbraw/zinc/88/27/17/1070882717.db2.gz FPIRCVKHEIKEGV-MEKIYTOJSA-N 1 0 462.038 3.697 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314709761 1070886650 /nfs/dbraw/zinc/88/66/50/1070886650.db2.gz IEXKXFNSRDSIKJ-RXVVDRJESA-N 1 0 498.653 3.506 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001313667027 1070887055 /nfs/dbraw/zinc/88/70/55/1070887055.db2.gz ZXELPUGXHBLDJF-IYSOMAHNSA-N 1 0 492.064 3.964 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001314710167 1070888114 /nfs/dbraw/zinc/88/81/14/1070888114.db2.gz NMGZXPSVHQQVIW-FPOVZHCZSA-N 1 0 472.634 3.691 20 0 JHADRO CN(CC(C)(C)C)c1nnc(-c2cc(Br)c[nH]2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314710289 1070888338 /nfs/dbraw/zinc/88/83/38/1070888338.db2.gz RIRPDTQCAGFGAD-QGZVFWFLSA-N 1 0 467.456 3.755 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001313667370 1070889060 /nfs/dbraw/zinc/88/90/60/1070889060.db2.gz WZCZRMYETPNCGZ-ZJSXRUAMSA-N 1 0 482.673 3.957 20 0 JHADRO CN(CC(C)(C)C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314711157 1070890713 /nfs/dbraw/zinc/89/07/13/1070890713.db2.gz MYSSSXAMPOHAGY-FQEVSTJZSA-N 1 0 465.631 3.768 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Oc2ccccc2)C1 ZINC001313668024 1070890937 /nfs/dbraw/zinc/89/09/37/1070890937.db2.gz NNIGLSDZAXYVQA-VWNXMTODSA-N 1 0 465.646 3.918 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001313668157 1070891717 /nfs/dbraw/zinc/89/17/17/1070891717.db2.gz NLMRRYRZGPVBDS-CTNGQTDRSA-N 1 0 459.610 3.858 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313668469 1070892191 /nfs/dbraw/zinc/89/21/91/1070892191.db2.gz PIUMWGUURUZTMD-FUHIMQAGSA-N 1 0 485.551 3.752 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1CC[NH+]1CCCCC1 ZINC001314713023 1070899379 /nfs/dbraw/zinc/89/93/79/1070899379.db2.gz BEOHCVXXRXPVSO-UHFFFAOYSA-N 1 0 475.081 3.879 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC2(CCCCC2)C1 ZINC001313669412 1070894870 /nfs/dbraw/zinc/89/48/70/1070894870.db2.gz WPDVJYZHVYGNJY-IBGZPJMESA-N 1 0 474.675 3.539 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc2c(c1)OCCO2 ZINC001313670481 1070896881 /nfs/dbraw/zinc/89/68/81/1070896881.db2.gz IKOYOJMUKJYTSY-KRWDZBQOSA-N 1 0 470.643 3.772 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313670713 1070897737 /nfs/dbraw/zinc/89/77/37/1070897737.db2.gz LFYZGOLKLRMCSL-RBBKRZOGSA-N 1 0 485.677 3.687 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)F)CC1)c1ccccc1 ZINC001313671645 1070900774 /nfs/dbraw/zinc/90/07/74/1070900774.db2.gz BHNQDLWNHDXMPX-JOCHJYFZSA-N 1 0 469.584 3.810 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(C)=O)CC1)c1ccsc1 ZINC001313672054 1070901629 /nfs/dbraw/zinc/90/16/29/1070901629.db2.gz MHIJIFXIWJQLBS-FGZHOGPDSA-N 1 0 474.675 3.769 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccco1 ZINC001313674039 1070910040 /nfs/dbraw/zinc/91/00/40/1070910040.db2.gz HVVDMWCHKGZLFN-IBVKSMDESA-N 1 0 486.661 3.718 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(N2CCN(c3cnn(C)c3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001313674089 1070910593 /nfs/dbraw/zinc/91/05/93/1070910593.db2.gz IFQKHNQNEQDXMS-QHCPKHFHSA-N 1 0 464.662 3.719 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C2CCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC001313674322 1070911366 /nfs/dbraw/zinc/91/13/66/1070911366.db2.gz USOKEJMEUBQTKY-OAQYLSRUSA-N 1 0 494.731 3.550 20 0 JHADRO O=S(=O)(NC/C=C\c1cccnc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309666379 1070912004 /nfs/dbraw/zinc/91/20/04/1070912004.db2.gz RBJTVAJPPWQACC-FVUWPRCLSA-N 1 0 451.567 3.822 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C)C1)c1ccsc1 ZINC001313674518 1070912796 /nfs/dbraw/zinc/91/27/96/1070912796.db2.gz KMNFBPLRBZTRFT-TZIWHRDSSA-N 1 0 457.648 3.509 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(CC)C1)c1ccco1 ZINC001313676112 1070919442 /nfs/dbraw/zinc/91/94/42/1070919442.db2.gz CGEDSKICTTZKNV-SQJMNOBHSA-N 1 0 452.603 3.945 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccco1 ZINC001313675195 1070914014 /nfs/dbraw/zinc/91/40/14/1070914014.db2.gz XWYNCSWDCOQQTA-PMACEKPBSA-N 1 0 456.635 3.963 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 ZINC001313676076 1070919486 /nfs/dbraw/zinc/91/94/86/1070919486.db2.gz UYGZOAXFEHIVDZ-HSZRJFAPSA-N 1 0 452.647 3.796 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccco1 ZINC001313675341 1070915860 /nfs/dbraw/zinc/91/58/60/1070915860.db2.gz RYNRAZNHUXAKKR-XLIONFOSSA-N 1 0 471.005 3.942 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)OC)c1ccco1 ZINC001313675477 1070916332 /nfs/dbraw/zinc/91/63/32/1070916332.db2.gz ZQSQEHAFEJYNEQ-FQEVSTJZSA-N 1 0 479.585 3.910 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccsc1 ZINC001313675456 1070916618 /nfs/dbraw/zinc/91/66/18/1070916618.db2.gz UJQXYELTOGSUDJ-QFBILLFUSA-N 1 0 488.061 3.805 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1)c1ccccc1 ZINC001313675896 1070918705 /nfs/dbraw/zinc/91/87/05/1070918705.db2.gz VXSXZKIAGIUHKX-SFTDATJTSA-N 1 0 453.591 3.754 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314722385 1070921298 /nfs/dbraw/zinc/92/12/98/1070921298.db2.gz KBIBCZZPOIBREG-IBGZPJMESA-N 1 0 461.536 3.853 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccccc1 ZINC001313676646 1070921921 /nfs/dbraw/zinc/92/19/21/1070921921.db2.gz YMXCSCOKXIHFNQ-QPTUXGOLSA-N 1 0 482.673 3.906 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314723149 1070923181 /nfs/dbraw/zinc/92/31/81/1070923181.db2.gz MUJDVQDWIARCSJ-RXVVDRJESA-N 1 0 451.040 3.642 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1)c1ccccc1 ZINC001313677812 1070926866 /nfs/dbraw/zinc/92/68/66/1070926866.db2.gz LXPMDJUGUNSTMA-QHCPKHFHSA-N 1 0 480.636 3.815 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314727043 1070936318 /nfs/dbraw/zinc/93/63/18/1070936318.db2.gz XFYBKFOIBOBMHM-HUUCEWRRSA-N 1 0 493.431 3.586 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314729388 1070944095 /nfs/dbraw/zinc/94/40/95/1070944095.db2.gz KADAAHGLEYICDV-AEFFLSMTSA-N 1 0 498.491 3.827 20 0 JHADRO CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001313683411 1070944239 /nfs/dbraw/zinc/94/42/39/1070944239.db2.gz CXBMBWIYEBLCJR-NRFANRHFSA-N 1 0 459.660 3.992 20 0 JHADRO CN(Cc1ccc(Cl)c(F)c1)c1nnc(-c2cccnc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314728105 1070940834 /nfs/dbraw/zinc/94/08/34/1070940834.db2.gz NVAIAMLUSKIRHV-UHFFFAOYSA-N 1 0 472.012 3.795 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313681622 1070941243 /nfs/dbraw/zinc/94/12/43/1070941243.db2.gz YDHUKBJCYSPVSA-VXKWHMMOSA-N 1 0 486.661 3.543 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)c(C)c2)CC1 ZINC001313691704 1070951953 /nfs/dbraw/zinc/95/19/53/1070951953.db2.gz UUECRIQLGWFWQZ-UHFFFAOYSA-N 1 0 465.577 3.732 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CC3CC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001313692867 1070953338 /nfs/dbraw/zinc/95/33/38/1070953338.db2.gz DMQABZNFRWWPLR-UHFFFAOYSA-N 1 0 466.552 3.926 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2ncccc2F)CC1 ZINC001313692814 1070953407 /nfs/dbraw/zinc/95/34/07/1070953407.db2.gz BOEDDFJWHRBRKD-UHFFFAOYSA-N 1 0 473.622 3.558 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001313692844 1070953500 /nfs/dbraw/zinc/95/35/00/1070953500.db2.gz CPFGNPUCJGCWQS-SFHVURJKSA-N 1 0 499.651 3.829 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001313693429 1070954728 /nfs/dbraw/zinc/95/47/28/1070954728.db2.gz KBYWZRPGSFGVDB-UHFFFAOYSA-N 1 0 485.677 3.832 20 0 JHADRO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc(-c2cnn(C)c2)n1CC1([NH+](C)C)CCC1 ZINC001314733944 1070956076 /nfs/dbraw/zinc/95/60/76/1070956076.db2.gz HASYCTAFKYORKB-UHFFFAOYSA-N 1 0 465.499 3.957 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 ZINC001313694273 1070956737 /nfs/dbraw/zinc/95/67/37/1070956737.db2.gz FPBQNEPAKMVEPA-RCZVLFRGSA-N 1 0 459.635 3.948 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001313691801 1070952811 /nfs/dbraw/zinc/95/28/11/1070952811.db2.gz XHARHRFONBCZIB-SKPFHBQLSA-N 1 0 451.631 3.768 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3)n2CCn2cc(Br)cn2)CC1 ZINC001313696457 1070963402 /nfs/dbraw/zinc/96/34/02/1070963402.db2.gz VVMZEDGMOGMFNI-UHFFFAOYSA-N 1 0 472.435 3.915 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccsc2Br)CC1 ZINC001313696693 1070963994 /nfs/dbraw/zinc/96/39/94/1070963994.db2.gz WHITYACQASOBJS-MRXNPFEDSA-N 1 0 468.465 3.965 20 0 JHADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCC(O)CC1 ZINC001314736971 1070965103 /nfs/dbraw/zinc/96/51/03/1070965103.db2.gz NDGLKSHMHNJSPZ-UHFFFAOYSA-N 1 0 451.562 3.660 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001313697181 1070965287 /nfs/dbraw/zinc/96/52/87/1070965287.db2.gz LSBBUXNIVXJMHC-GOSISDBHSA-N 1 0 480.078 3.734 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2ccccn2)CC1 ZINC001313697346 1070965955 /nfs/dbraw/zinc/96/59/55/1070965955.db2.gz MUBPWQYQIRSSLA-UHFFFAOYSA-N 1 0 452.578 3.945 20 0 JHADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@@H]2CCCCO2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314738663 1070970143 /nfs/dbraw/zinc/97/01/43/1070970143.db2.gz DLGDTKYSBHDYMP-QFIPXVFZSA-N 1 0 489.686 3.682 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@](C)(O)CC)CC1 ZINC001313698316 1070970374 /nfs/dbraw/zinc/97/03/74/1070970374.db2.gz XRUSQHGVTNRHFK-RUZDIDTESA-N 1 0 451.619 3.807 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(F)c(F)c2)CC1 ZINC001313698724 1070971790 /nfs/dbraw/zinc/97/17/90/1070971790.db2.gz KDBGNZXYMGARGR-UHFFFAOYSA-N 1 0 488.627 3.522 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001313698982 1070972433 /nfs/dbraw/zinc/97/24/33/1070972433.db2.gz PIEQBFWGWLUKGO-OAQYLSRUSA-N 1 0 480.648 3.827 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)c2ncc(C)s2)CC1 ZINC001313700148 1070976010 /nfs/dbraw/zinc/97/60/10/1070976010.db2.gz AJGUTMZLGQFRFL-CUWPLCDZSA-N 1 0 476.691 3.881 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC001313699982 1070975489 /nfs/dbraw/zinc/97/54/89/1070975489.db2.gz MJIZEJMFYHSXLS-UHFFFAOYSA-N 1 0 469.678 3.922 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001313701147 1070978859 /nfs/dbraw/zinc/97/88/59/1070978859.db2.gz RTCAQWOAGYZFOP-PXNSSMCTSA-N 1 0 491.706 3.510 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2(F)CCC2)CC1 ZINC001313701425 1070979920 /nfs/dbraw/zinc/97/99/20/1070979920.db2.gz VUHQXDOIYJJFHR-UHFFFAOYSA-N 1 0 477.028 3.871 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CC2CC(c3ccccc3)C2)CC1 ZINC001313701397 1070980095 /nfs/dbraw/zinc/98/00/95/1070980095.db2.gz UCRMJRSZNHZPIP-UHFFFAOYSA-N 1 0 452.647 3.586 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2c(C)noc2C)C1 ZINC001313701239 1070980144 /nfs/dbraw/zinc/98/01/44/1070980144.db2.gz CZVKPHKHNGNIRQ-IBGZPJMESA-N 1 0 468.602 3.784 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cscc2C)C1 ZINC001313701338 1070980170 /nfs/dbraw/zinc/98/01/70/1070980170.db2.gz FXYFZXOLMXVWLR-LJQANCHMSA-N 1 0 487.695 3.935 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc([C@H]2CCCO2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314740608 1070976741 /nfs/dbraw/zinc/97/67/41/1070976741.db2.gz XWDKAYJOBUAPDW-LEWJYISDSA-N 1 0 492.462 3.765 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(SC)cc2)CC1 ZINC001313700493 1070977508 /nfs/dbraw/zinc/97/75/08/1070977508.db2.gz FIGFFXLLFKSGSA-UHFFFAOYSA-N 1 0 472.703 3.531 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C(N)=O)C2)c1 ZINC001313702016 1070982036 /nfs/dbraw/zinc/98/20/36/1070982036.db2.gz FRBVCXKAYJFRCW-RBZQAINGSA-N 1 0 496.700 3.789 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(N(C)C)nc2)C1 ZINC001313702065 1070982844 /nfs/dbraw/zinc/98/28/44/1070982844.db2.gz MAFSLLHQVHMMKZ-OAQYLSRUSA-N 1 0 463.630 3.631 20 0 JHADRO CN(Cc1cccc(C(N)=O)c1)c1nnc(Cc2cccnc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314742849 1070982919 /nfs/dbraw/zinc/98/29/19/1070982919.db2.gz VIIBVXFYSRWKIT-DEOSSOPVSA-N 1 0 475.641 3.510 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC001313702420 1070984215 /nfs/dbraw/zinc/98/42/15/1070984215.db2.gz ACIQCHYTDAXFDP-UHFFFAOYSA-N 1 0 454.663 3.671 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001313702597 1070984814 /nfs/dbraw/zinc/98/48/14/1070984814.db2.gz PTGHVDMYWUJQOX-LJQANCHMSA-N 1 0 451.575 3.554 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001313702635 1070984827 /nfs/dbraw/zinc/98/48/27/1070984827.db2.gz QUPAOCKJYIUDEK-RTBURBONSA-N 1 0 480.078 3.591 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccn(C)n2)C1 ZINC001313703515 1070986638 /nfs/dbraw/zinc/98/66/38/1070986638.db2.gz XXTGRTWKZADAGF-QGZVFWFLSA-N 1 0 458.010 3.557 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC001313704073 1070989374 /nfs/dbraw/zinc/98/93/74/1070989374.db2.gz UDXSJVOZJWPPNC-XMMPIXPASA-N 1 0 466.674 3.958 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1nccs1 ZINC001313704541 1070990582 /nfs/dbraw/zinc/99/05/82/1070990582.db2.gz JGXLGJMFGNHWSD-UHFFFAOYSA-N 1 0 450.616 3.662 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CC[C@@H](N4CCCC4=O)C3)nnc2C(C)(C)C)c1 ZINC001313704671 1070991195 /nfs/dbraw/zinc/99/11/95/1070991195.db2.gz ZTEHTCZBSZZGQT-JOCHJYFZSA-N 1 0 452.647 3.667 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001313707585 1070998213 /nfs/dbraw/zinc/99/82/13/1070998213.db2.gz POJUCDMSLNDFGF-GOSISDBHSA-N 1 0 475.519 3.850 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCC(=O)NC(C)C)C1 ZINC001313707331 1070998225 /nfs/dbraw/zinc/99/82/25/1070998225.db2.gz MCYAGRLLBKQOBZ-GOSISDBHSA-N 1 0 491.478 3.790 20 0 JHADRO CN(Cc1ccccc1Br)c1nnc(-c2ccc[nH]2)n1CC1([NH+](C)C)CCOCC1 ZINC001314747243 1070995025 /nfs/dbraw/zinc/99/50/25/1070995025.db2.gz ZPKUQOYOLXVXCC-UHFFFAOYSA-N 1 0 473.419 3.783 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2CCOC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313706156 1070995652 /nfs/dbraw/zinc/99/56/52/1070995652.db2.gz YHYVVPXGYFZMDZ-MHZLTWQESA-N 1 0 485.673 3.824 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001313706126 1070995677 /nfs/dbraw/zinc/99/56/77/1070995677.db2.gz XTUFJBFTOYTOJH-SXWKCWPCSA-N 1 0 473.687 3.553 20 0 JHADRO Cn1cc(-c2nnc(N3CCC(C[N@H+](C)Cc4ccccc4)CC3)n2CC[S@](=O)C(C)(C)C)cn1 ZINC001314748416 1070997817 /nfs/dbraw/zinc/99/78/17/1070997817.db2.gz FQCAINBJHARLBU-DHUJRADRSA-N 1 0 497.713 3.574 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCS2)C1 ZINC001313708376 1071000217 /nfs/dbraw/zinc/00/02/17/1071000217.db2.gz UYPSOFUYAJRPCW-TZIWHRDSSA-N 1 0 491.105 3.925 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001313708946 1071001028 /nfs/dbraw/zinc/00/10/28/1071001028.db2.gz DUVMCAUCCYEVHA-KKLQWCBXSA-N 1 0 481.563 3.748 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccccc2F)C1 ZINC001313709487 1071002007 /nfs/dbraw/zinc/00/20/07/1071002007.db2.gz MNHLEVKIXMFSAB-NRFANRHFSA-N 1 0 453.610 3.690 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCNc2nccc(C(F)(F)F)n2)C1 ZINC001313710896 1071005393 /nfs/dbraw/zinc/00/53/93/1071005393.db2.gz CKKPGRCCDWJJJU-KRWDZBQOSA-N 1 0 482.599 3.956 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(OC)c2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001313711151 1071005929 /nfs/dbraw/zinc/00/59/29/1071005929.db2.gz MKNYLZGRBRGDQN-UHFFFAOYSA-N 1 0 481.620 3.936 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOCC2(CCC2)C1 ZINC001313711644 1071006665 /nfs/dbraw/zinc/00/66/65/1071006665.db2.gz FSMSCAODKAXSFM-UHFFFAOYSA-N 1 0 457.619 3.701 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001313712235 1071007904 /nfs/dbraw/zinc/00/79/04/1071007904.db2.gz LRKKRIUJPWJXNX-KRWDZBQOSA-N 1 0 450.425 3.912 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)NC(C)(C)C)C1 ZINC001313712414 1071008475 /nfs/dbraw/zinc/00/84/75/1071008475.db2.gz LSILXSOTCKBPBJ-FQEVSTJZSA-N 1 0 475.081 3.995 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCOc2ncccc2Cl)C1 ZINC001313712518 1071008887 /nfs/dbraw/zinc/00/88/87/1071008887.db2.gz QTXVCPKQQVKKEN-IBGZPJMESA-N 1 0 470.021 3.944 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(Br)c1 ZINC001313710305 1071004242 /nfs/dbraw/zinc/00/42/42/1071004242.db2.gz YHYPDTJFHZJJGR-UHFFFAOYSA-N 1 0 477.451 3.645 20 0 JHADRO CCn1nc(-c2nnc(N3CC[C@H](C[NH+](CC)CC)C3)n2CCC(C)C)c2ccccc2c1=O ZINC001313713459 1071010281 /nfs/dbraw/zinc/01/02/81/1071010281.db2.gz UMBBPOUHTGAQEJ-HXUWFJFHSA-N 1 0 465.646 3.889 20 0 JHADRO C[S@](=O)(=NS(=O)(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)C1CCCCC1 ZINC001309904782 1071010775 /nfs/dbraw/zinc/01/07/75/1071010775.db2.gz LGLRPGZZLBXCRT-GDLZYMKVSA-N 1 0 453.674 3.749 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Br)nnc1N1CCN(c2cnccn2)CC1 ZINC001313713934 1071011428 /nfs/dbraw/zinc/01/14/28/1071011428.db2.gz FFSPSQVXOJUCGF-UHFFFAOYSA-N 1 0 499.461 3.556 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001313714315 1071012209 /nfs/dbraw/zinc/01/22/09/1071012209.db2.gz KFJZOJURSMNHFB-MRXNPFEDSA-N 1 0 486.970 3.835 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313714989 1071013397 /nfs/dbraw/zinc/01/33/97/1071013397.db2.gz ADDADHHFRDBNKL-TZIWHRDSSA-N 1 0 471.650 3.812 20 0 JHADRO CC[NH+](CC)CCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001313715708 1071015085 /nfs/dbraw/zinc/01/50/85/1071015085.db2.gz IWFQLZAIJNPBFU-UHFFFAOYSA-N 1 0 458.695 3.972 20 0 JHADRO COc1ncc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1Cl ZINC001309914696 1071015469 /nfs/dbraw/zinc/01/54/69/1071015469.db2.gz DQZAAXSZNBUNRZ-RBBKRZOGSA-N 1 0 457.983 3.690 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001313716132 1071015457 /nfs/dbraw/zinc/01/54/57/1071015457.db2.gz OLOSXSBHVMEPFD-YADARESESA-N 1 0 478.037 3.627 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001313718070 1071018297 /nfs/dbraw/zinc/01/82/97/1071018297.db2.gz VUCGLJILCFCGOM-SFHVURJKSA-N 1 0 463.573 3.840 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001313718560 1071018606 /nfs/dbraw/zinc/01/86/06/1071018606.db2.gz RVZCMCQIULLAKB-WIYYLYMNSA-N 1 0 497.562 3.928 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001313718571 1071018645 /nfs/dbraw/zinc/01/86/45/1071018645.db2.gz ZIFFCUWTAPAPPY-UHFFFAOYSA-N 1 0 484.645 3.764 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)C1 ZINC001313718903 1071019247 /nfs/dbraw/zinc/01/92/47/1071019247.db2.gz GEBRTJJYXGXZEK-SFHVURJKSA-N 1 0 486.608 3.554 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001313715904 1071015027 /nfs/dbraw/zinc/01/50/27/1071015027.db2.gz MECOPGKUGKIMMT-UHFFFAOYSA-N 1 0 455.651 3.670 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C)C1 ZINC001313720253 1071021625 /nfs/dbraw/zinc/02/16/25/1071021625.db2.gz IWPMDLXYOORYCA-RTBURBONSA-N 1 0 461.676 3.715 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001313720382 1071021816 /nfs/dbraw/zinc/02/18/16/1071021816.db2.gz VNOXNYMQBMHDPV-INIZCTEOSA-N 1 0 454.413 3.896 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001313720861 1071021989 /nfs/dbraw/zinc/02/19/89/1071021989.db2.gz SOKUOGMKEJWXEV-UHFFFAOYSA-N 1 0 497.482 3.788 20 0 JHADRO CN(Cc1cnccn1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314763771 1071023180 /nfs/dbraw/zinc/02/31/80/1071023180.db2.gz JSMMHNFGHAHZBG-HXUWFJFHSA-N 1 0 499.392 3.904 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccn2)CC1 ZINC001313721246 1071023207 /nfs/dbraw/zinc/02/32/07/1071023207.db2.gz XLTBQUSGUYGERD-FYYLOGMGSA-N 1 0 469.678 3.650 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC001313723524 1071028831 /nfs/dbraw/zinc/02/88/31/1071028831.db2.gz RHSNNLXLZJBXPA-AUSIDOKSSA-N 1 0 450.587 3.657 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001313723923 1071029747 /nfs/dbraw/zinc/02/97/47/1071029747.db2.gz JURDXIAZZOMKCM-LJQANCHMSA-N 1 0 488.627 3.716 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOCC2(CCC2)C1 ZINC001313724352 1071030621 /nfs/dbraw/zinc/03/06/21/1071030621.db2.gz SDMDHAYSDODXGY-LJQANCHMSA-N 1 0 457.619 3.700 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC001313722454 1071026742 /nfs/dbraw/zinc/02/67/42/1071026742.db2.gz AWGIYRHDXBQZMH-IFMALSPDSA-N 1 0 478.645 3.579 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001313722925 1071027925 /nfs/dbraw/zinc/02/79/25/1071027925.db2.gz JHMCRJPWRMJKNH-VGOFRKELSA-N 1 0 458.557 3.870 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCC[C@H](COC)C1 ZINC001313724562 1071031089 /nfs/dbraw/zinc/03/10/89/1071031089.db2.gz XLRNVLFCBDXVDT-MOPGFXCFSA-N 1 0 467.618 3.577 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001313725034 1071031547 /nfs/dbraw/zinc/03/15/47/1071031547.db2.gz XVURDSIVHZZTGI-VGSWGCGISA-N 1 0 468.568 3.524 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(Cn2cccn2)CC1 ZINC001313725073 1071032019 /nfs/dbraw/zinc/03/20/19/1071032019.db2.gz YUMPYCTUDNLLNE-LJQANCHMSA-N 1 0 471.600 3.991 20 0 JHADRO CN(Cc1cscn1)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314770136 1071032474 /nfs/dbraw/zinc/03/24/74/1071032474.db2.gz AAFPVGFVXJQMLT-LJQANCHMSA-N 1 0 491.459 3.647 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](COC)C1 ZINC001313725621 1071033037 /nfs/dbraw/zinc/03/30/37/1071033037.db2.gz MRLSTUNSDKJZNU-HKBOAZHASA-N 1 0 478.682 3.596 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001313725684 1071033054 /nfs/dbraw/zinc/03/30/54/1071033054.db2.gz OBXHNKQRPJVDRR-MXEMCNAFSA-N 1 0 476.666 3.553 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001313725617 1071033082 /nfs/dbraw/zinc/03/30/82/1071033082.db2.gz MPESIGYTDJGVIX-MOPGFXCFSA-N 1 0 480.579 3.858 20 0 JHADRO CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001309973326 1071033725 /nfs/dbraw/zinc/03/37/25/1071033725.db2.gz ZMVGWCQLNIPFIW-SFHVURJKSA-N 1 0 450.649 3.882 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(C2CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314770878 1071034483 /nfs/dbraw/zinc/03/44/83/1071034483.db2.gz FGNCCKOAVUJAHL-OAHLLOKOSA-N 1 0 458.554 3.504 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 ZINC001313727248 1071036629 /nfs/dbraw/zinc/03/66/29/1071036629.db2.gz NAOXRADSBNRHPD-DHIUTWEWSA-N 1 0 467.666 3.525 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(C(=O)NC(C)C)n1CCC[NH+]1CCC(C)CC1 ZINC001313726720 1071035627 /nfs/dbraw/zinc/03/56/27/1071035627.db2.gz POYRMYQXDZLONL-UHFFFAOYSA-N 1 0 462.589 3.843 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001313727528 1071037135 /nfs/dbraw/zinc/03/71/35/1071037135.db2.gz CDHCWQGSYSYINI-QGZVFWFLSA-N 1 0 474.704 3.537 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314772247 1071038197 /nfs/dbraw/zinc/03/81/97/1071038197.db2.gz SGVWNJYDTAWCPE-CHWSQXEVSA-N 1 0 499.588 3.705 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2ccccn2)n1CC(C)(C)C[NH+](C)C ZINC001313728683 1071040233 /nfs/dbraw/zinc/04/02/33/1071040233.db2.gz NQGCRSSJMGYFJN-UHFFFAOYSA-N 1 0 463.630 3.656 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2ccc[nH]2)n1CC[NH+]1CCC(C)CC1 ZINC001313729240 1071041746 /nfs/dbraw/zinc/04/17/46/1071041746.db2.gz UETGGALOZVNBJF-UHFFFAOYSA-N 1 0 463.630 3.733 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314773849 1071042924 /nfs/dbraw/zinc/04/29/24/1071042924.db2.gz LDDZGUQFWWAYKB-KRWDZBQOSA-N 1 0 457.007 3.728 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001313730012 1071043532 /nfs/dbraw/zinc/04/35/32/1071043532.db2.gz QLHLNKCGYYGXJN-IBGZPJMESA-N 1 0 470.568 3.800 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cccc(C)n2)n1CC[NH+]1CCCCC1 ZINC001313733940 1071053133 /nfs/dbraw/zinc/05/31/33/1071053133.db2.gz NHPIZPBQFRUKIC-UHFFFAOYSA-N 1 0 475.641 3.863 20 0 JHADRO CN(CC1CC(F)C1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314782738 1071058506 /nfs/dbraw/zinc/05/85/06/1071058506.db2.gz IRABVPCDDCJCQX-YXIVMFJDSA-N 1 0 478.657 3.917 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(Cc2ccc(Cl)cc2)n1CC[NH+]1CCCCC1 ZINC001314779846 1071054150 /nfs/dbraw/zinc/05/41/50/1071054150.db2.gz MHAXWKFBYXTBQY-UHFFFAOYSA-N 1 0 478.979 3.501 20 0 JHADRO CN(Cc1ccon1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001314779723 1071054174 /nfs/dbraw/zinc/05/41/74/1071054174.db2.gz WPJWBEPVAWDHSA-FQEVSTJZSA-N 1 0 487.649 3.893 20 0 JHADRO CN(CC1CC(F)C1)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314784776 1071061720 /nfs/dbraw/zinc/06/17/20/1071061720.db2.gz POPUKMOYCFALAA-GQOXECLESA-N 1 0 480.426 3.739 20 0 JHADRO CN(CC1CC(F)C1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314785174 1071062334 /nfs/dbraw/zinc/06/23/34/1071062334.db2.gz DEWJCOYCQCXRTG-GQOXECLESA-N 1 0 488.608 3.896 20 0 JHADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2)C[C@H]1C ZINC001310019144 1071064003 /nfs/dbraw/zinc/06/40/03/1071064003.db2.gz XNQPZSBJZUJUOW-BGYRXZFFSA-N 1 0 452.599 3.719 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001313741033 1071066498 /nfs/dbraw/zinc/06/64/98/1071066498.db2.gz DUJIPDQZDFZSGV-FQEVSTJZSA-N 1 0 487.446 3.909 20 0 JHADRO CC1(C)CN(C(=O)Nc2cccc(OCC(N)=O)c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001310022091 1071066700 /nfs/dbraw/zinc/06/67/00/1071066700.db2.gz WGMQIZVNMPIJLK-DEOSSOPVSA-N 1 0 450.583 3.705 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313741938 1071068215 /nfs/dbraw/zinc/06/82/15/1071068215.db2.gz JLVDYZIKAQEDPG-NHCUHLMSSA-N 1 0 451.619 3.513 20 0 JHADRO CN(CC1CCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314792094 1071069676 /nfs/dbraw/zinc/06/96/76/1071069676.db2.gz OFUXRFAERAYYLF-UHFFFAOYSA-N 1 0 459.660 3.707 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc(CN2CCCC2=O)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001313742142 1071068962 /nfs/dbraw/zinc/06/89/62/1071068962.db2.gz WPWJLYYBAPLJPI-QHCPKHFHSA-N 1 0 452.647 3.856 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCC[NH+]1CCC(O)CC1 ZINC001313745540 1071074247 /nfs/dbraw/zinc/07/42/47/1071074247.db2.gz HCIWZKDTEMZNSC-UHFFFAOYSA-N 1 0 452.578 3.661 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](c3nccn3C)c3ccc(F)c(F)c3)cc2)CC1 ZINC001310035930 1071075398 /nfs/dbraw/zinc/07/53/98/1071075398.db2.gz GNQBVZMOZMRRFT-JOCHJYFZSA-N 1 0 454.525 3.751 20 0 JHADRO CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001313746756 1071075636 /nfs/dbraw/zinc/07/56/36/1071075636.db2.gz NUTYYROUFQJVRM-IBGZPJMESA-N 1 0 458.676 3.999 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCCC[C@H]3COC(=O)N3CCCCC3)cc2)CC1 ZINC001310036337 1071076164 /nfs/dbraw/zinc/07/61/64/1071076164.db2.gz LFBDINQGCBQUKU-QHCPKHFHSA-N 1 0 457.619 3.837 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001313748576 1071078513 /nfs/dbraw/zinc/07/85/13/1071078513.db2.gz YYYUEXDMKLIIBK-CTNGQTDRSA-N 1 0 477.650 3.610 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+](C)C(C)C ZINC001313750907 1071084016 /nfs/dbraw/zinc/08/40/16/1071084016.db2.gz ANBZBSVDVRULAD-UHFFFAOYSA-N 1 0 477.455 3.536 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(OC)cc2)n1CCC[NH+]1CCC(C)CC1 ZINC001313751511 1071086536 /nfs/dbraw/zinc/08/65/36/1071086536.db2.gz NMXSTWAKVNAPRL-UHFFFAOYSA-N 1 0 451.619 3.836 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc(CC(C)(C)C)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001314804671 1071090410 /nfs/dbraw/zinc/09/04/10/1071090410.db2.gz WIBFPHGIIUAFRW-DEOSSOPVSA-N 1 0 469.674 3.877 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001314804612 1071090459 /nfs/dbraw/zinc/09/04/59/1071090459.db2.gz MPMIXOYXCXYQQL-HBMCJLEFSA-N 1 0 476.666 3.540 20 0 JHADRO Cc1cc(NC(=O)N2CCOc3cc(Br)ccc3C2)ccc1N1CC[NH+](C)CC1 ZINC001310061086 1071091468 /nfs/dbraw/zinc/09/14/68/1071091468.db2.gz ZGGURBDXCSOIID-UHFFFAOYSA-N 1 0 459.388 3.936 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+](C)C1CCCC1 ZINC001313754914 1071093986 /nfs/dbraw/zinc/09/39/86/1071093986.db2.gz GHVHCBRJBOVRPT-UHFFFAOYSA-N 1 0 457.573 3.782 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2csc(C)n2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001313755714 1071096375 /nfs/dbraw/zinc/09/63/75/1071096375.db2.gz YUGPZUKWYJCPDF-SFHVURJKSA-N 1 0 456.664 3.658 20 0 JHADRO Cc1ccc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC001310070930 1071096700 /nfs/dbraw/zinc/09/67/00/1071096700.db2.gz IPRUVIIKCOMIKV-UHFFFAOYSA-N 1 0 450.649 3.755 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccccc2F)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313755930 1071097030 /nfs/dbraw/zinc/09/70/30/1071097030.db2.gz SSIUABCMOWZEQO-PMACEKPBSA-N 1 0 483.636 3.656 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCCC1 ZINC001314808051 1071097739 /nfs/dbraw/zinc/09/77/39/1071097739.db2.gz GSBOBNIYSYNGPB-NRFANRHFSA-N 1 0 490.693 3.741 20 0 JHADRO COc1ccc(NC(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c(OC)c1 ZINC001310074770 1071100188 /nfs/dbraw/zinc/10/01/88/1071100188.db2.gz XZLZODJPGAJJPJ-UHFFFAOYSA-N 1 0 452.477 3.796 20 0 JHADRO CN(C[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@]2([NH+](C)C)CCSC2)C1)C(=O)OC(C)(C)C ZINC001314810059 1071102015 /nfs/dbraw/zinc/10/20/15/1071102015.db2.gz IRPYNBFUJOCQDX-HOYKHHGWSA-N 1 0 480.723 3.706 20 0 JHADRO CCN(CC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313757942 1071103345 /nfs/dbraw/zinc/10/33/45/1071103345.db2.gz AIZBJUXIMYKAMS-HOTGVXAUSA-N 1 0 465.440 3.771 20 0 JHADRO CCN(CC1CC1)c1nnc(-c2cccc(Br)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313759602 1071106365 /nfs/dbraw/zinc/10/63/65/1071106365.db2.gz YARBVBSXGXJBAA-UHFFFAOYSA-N 1 0 475.479 3.970 20 0 JHADRO CN(CC1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC001314812386 1071107175 /nfs/dbraw/zinc/10/71/75/1071107175.db2.gz MBPQPDMRUHRSBX-UHFFFAOYSA-N 1 0 497.688 3.833 20 0 JHADRO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001310083522 1071107318 /nfs/dbraw/zinc/10/73/18/1071107318.db2.gz SAVVMWOGOCDWJN-FQEVSTJZSA-N 1 0 456.612 3.851 20 0 JHADRO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc([C@H]2CCCO2)n1CC[N@H+](CC)C(C)C ZINC001313760283 1071107407 /nfs/dbraw/zinc/10/74/07/1071107407.db2.gz QBCRUNXKOJUBRR-HXUWFJFHSA-N 1 0 453.591 3.535 20 0 JHADRO CCN(CC1CCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001313766454 1071114045 /nfs/dbraw/zinc/11/40/45/1071114045.db2.gz ISAYSLQCZVPMRV-LJQANCHMSA-N 1 0 459.660 3.707 20 0 JHADRO CN(C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1)C(=O)OC(C)(C)C ZINC001314813512 1071114940 /nfs/dbraw/zinc/11/49/40/1071114940.db2.gz SIUFVAQARZKWMY-RTWAWAEBSA-N 1 0 490.693 3.597 20 0 JHADRO CN(CC1CCOCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001314815528 1071121627 /nfs/dbraw/zinc/12/16/27/1071121627.db2.gz NLYZCQXMHNRIQY-UHFFFAOYSA-N 1 0 469.674 3.952 20 0 JHADRO CN(C[C@H]1CCOC1)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314815228 1071120821 /nfs/dbraw/zinc/12/08/21/1071120821.db2.gz IJVUKKJVVZMRBM-VFNWGFHPSA-N 1 0 498.466 3.757 20 0 JHADRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(-n3ncc(C(=O)OCC)c3C(F)(F)F)c2)C1 ZINC001310118892 1071131867 /nfs/dbraw/zinc/13/18/67/1071131867.db2.gz UGJPAEVTMOBVFZ-OAHLLOKOSA-N 1 0 453.465 3.674 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(Cl)cc2F)n1CCC[NH+]1CCC(O)CC1 ZINC001313775954 1071133250 /nfs/dbraw/zinc/13/32/50/1071133250.db2.gz LYJFNPKTAGVAAQ-IBGZPJMESA-N 1 0 466.001 3.590 20 0 JHADRO COC(=O)c1cccc(NC(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1 ZINC001310120580 1071133441 /nfs/dbraw/zinc/13/34/41/1071133441.db2.gz VNPCMORMNBCCRF-UHFFFAOYSA-N 1 0 450.461 3.566 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001313774575 1071129560 /nfs/dbraw/zinc/12/95/60/1071129560.db2.gz ULYWWHQAOSBBJL-KNQAVFIVSA-N 1 0 451.619 3.813 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001313778222 1071138653 /nfs/dbraw/zinc/13/86/53/1071138653.db2.gz GSBDTIACOVPSFF-XHVFSLISSA-N 1 0 463.667 3.518 20 0 JHADRO CN(CCC(F)(F)F)c1nnc([C@@H]2CCOC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001314821663 1071139104 /nfs/dbraw/zinc/13/91/04/1071139104.db2.gz QXQBQKNMOWLBAD-QGZVFWFLSA-N 1 0 461.598 3.922 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001313778368 1071139624 /nfs/dbraw/zinc/13/96/24/1071139624.db2.gz AJUNNJYWXNRLEA-JTAQYXEDSA-N 1 0 457.619 3.772 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314823167 1071143592 /nfs/dbraw/zinc/14/35/92/1071143592.db2.gz AHTWTTYQBBUZIO-NRFANRHFSA-N 1 0 479.576 3.957 20 0 JHADRO CCN(C[C@H]1COc2ccccc2O1)c1nnc(-c2cccn2C)n1CC(C)(C)C[NH+](C)C ZINC001313783611 1071151221 /nfs/dbraw/zinc/15/12/21/1071151221.db2.gz DHTXYGMVNBILFN-IBGZPJMESA-N 1 0 452.603 3.538 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(-c2cnccn2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001314823943 1071146202 /nfs/dbraw/zinc/14/62/02/1071146202.db2.gz HZTYJMUWZJIBFA-IBGZPJMESA-N 1 0 459.520 3.688 20 0 JHADRO CN(CCC(F)F)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCSCC1 ZINC001314827637 1071153413 /nfs/dbraw/zinc/15/34/13/1071153413.db2.gz ODJDFNGSFSUXRI-UHFFFAOYSA-N 1 0 488.649 3.533 20 0 JHADRO 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CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 ZINC001310386859 1071358912 /nfs/dbraw/zinc/35/89/12/1071358912.db2.gz QWZODKCAJFWXBA-UHFFFAOYSA-N 1 0 457.663 3.513 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CC(F)(F)CO2)C[C@H]1C ZINC001313858529 1071359562 /nfs/dbraw/zinc/35/95/62/1071359562.db2.gz BKLSNTLGTWEBRP-VKJFTORMSA-N 1 0 471.499 3.890 20 0 JHADRO CCn1cnnc1Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313856158 1071355662 /nfs/dbraw/zinc/35/56/62/1071355662.db2.gz UAKQAFOVMCRERU-UHFFFAOYSA-N 1 0 464.662 3.671 20 0 JHADRO O=C(Nc1ccn(CC(F)F)n1)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001310389374 1071361889 /nfs/dbraw/zinc/36/18/89/1071361889.db2.gz SGMQAHZXSMRRRG-UHFFFAOYSA-N 1 0 452.937 3.620 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001314923357 1071365979 /nfs/dbraw/zinc/36/59/79/1071365979.db2.gz CGZOQKRSOZRMJW-SJLPKXTDSA-N 1 0 480.629 3.872 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1C(C)(C)C ZINC001314923060 1071366075 /nfs/dbraw/zinc/36/60/75/1071366075.db2.gz AZDQAZXSIXNMQF-QGZVFWFLSA-N 1 0 472.600 3.591 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCCO[C@@H]2CCOC2)C[C@H]1C ZINC001313859496 1071364604 /nfs/dbraw/zinc/36/46/04/1071364604.db2.gz GVJPSGMULORWBD-LVCYWYKZSA-N 1 0 492.462 3.822 20 0 JHADRO Cc1ccc(NC(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C(=O)N(C)C ZINC001310393176 1071364871 /nfs/dbraw/zinc/36/48/71/1071364871.db2.gz RRSYDMGYMSCZQA-BGYRXZFFSA-N 1 0 452.599 3.970 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2CCc2ccc(F)c(F)c2F)C[C@H]1C ZINC001313860769 1071371261 /nfs/dbraw/zinc/37/12/61/1071371261.db2.gz LITSATBDUIYSJJ-IKGGRYGDSA-N 1 0 469.552 3.581 20 0 JHADRO Cn1cc(Nc2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC001314923674 1071366590 /nfs/dbraw/zinc/36/65/90/1071366590.db2.gz GFLLMYNAVSIFNP-SCTDSRPQSA-N 1 0 472.638 3.646 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC(F)(F)C2)C[C@H]1C ZINC001313860091 1071367861 /nfs/dbraw/zinc/36/78/61/1071367861.db2.gz IZPUGAWUMJGNJS-OLZOCXBDSA-N 1 0 457.367 4.000 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2Cc2ncnn2C(C)(C)C)C[C@H]1C ZINC001313860481 1071369919 /nfs/dbraw/zinc/36/99/19/1071369919.db2.gz LFIWXPYLEIYIJN-IAGOWNOFSA-N 1 0 457.026 3.912 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001314926820 1071370049 /nfs/dbraw/zinc/37/00/49/1071370049.db2.gz FMEHUVLCCYXOJT-FCHUYYIVSA-N 1 0 497.688 3.878 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001314926807 1071370152 /nfs/dbraw/zinc/37/01/52/1071370152.db2.gz FINVRBYQBYBIIX-GOSISDBHSA-N 1 0 464.536 3.808 20 0 JHADRO C[N@@H+]1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC001314929150 1071372722 /nfs/dbraw/zinc/37/27/22/1071372722.db2.gz VMKMNBUDVACITE-WMZHIEFXSA-N 1 0 481.563 3.530 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCSC)C[C@@H]1C ZINC001313861266 1071372839 /nfs/dbraw/zinc/37/28/39/1071372839.db2.gz PSRQLTMYYCZMQL-DLBZAZTESA-N 1 0 465.067 3.534 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(C)nc4ccccc43)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001313861550 1071374493 /nfs/dbraw/zinc/37/44/93/1071374493.db2.gz NQZLWFIZNWSCIJ-PMACEKPBSA-N 1 0 477.657 3.883 20 0 JHADRO CS(=O)(=O)Cc1cc(F)ccc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001310412631 1071376390 /nfs/dbraw/zinc/37/63/90/1071376390.db2.gz ZXFWKUYKOFKJFU-UHFFFAOYSA-N 1 0 453.967 3.810 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(F)(F)Br)C[C@H]1C ZINC001313863361 1071382657 /nfs/dbraw/zinc/38/26/57/1071382657.db2.gz DICFTCDPNGRKOC-ZIAGYGMSSA-N 1 0 488.377 3.869 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313862663 1071378564 /nfs/dbraw/zinc/37/85/64/1071378564.db2.gz IMDNTCRGWWRGER-RTBURBONSA-N 1 0 494.644 3.993 20 0 JHADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC001310424620 1071383458 /nfs/dbraw/zinc/38/34/58/1071383458.db2.gz XNGPJCUDYBKXEL-IRLDBZIGSA-N 1 0 459.612 3.969 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001314938116 1071388978 /nfs/dbraw/zinc/38/89/78/1071388978.db2.gz VMYFVWAKUSPIDH-OFNKIYASSA-N 1 0 475.641 3.602 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314941685 1071394327 /nfs/dbraw/zinc/39/43/27/1071394327.db2.gz FSNJZDRDWGBWAK-NRFANRHFSA-N 1 0 452.647 3.666 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(C)COCCO2)C[C@H]1C ZINC001313865270 1071391831 /nfs/dbraw/zinc/39/18/31/1071391831.db2.gz IEMPTFAXFSFYDL-ZMPRRUGASA-N 1 0 496.425 3.571 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3COc4ccccc4O3)n2CC(F)(F)Br)C[C@H]1C ZINC001313865505 1071393362 /nfs/dbraw/zinc/39/33/62/1071393362.db2.gz DWDCDUAARJWEGW-KEYYUXOJSA-N 1 0 486.361 3.697 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2COCCO2)C[C@H]1C ZINC001313865681 1071393466 /nfs/dbraw/zinc/39/34/66/1071393466.db2.gz CPMCABYZJFFLLQ-URVUXULASA-N 1 0 492.064 3.586 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nc(C)c(C)s2)C[C@@H]1C ZINC001313865826 1071393917 /nfs/dbraw/zinc/39/39/17/1071393917.db2.gz YHOCHHGORWTULS-LLJLJFOGSA-N 1 0 476.691 3.554 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001313865877 1071393975 /nfs/dbraw/zinc/39/39/75/1071393975.db2.gz YMKHPCPGYZMECW-HSALFYBXSA-N 1 0 482.604 3.532 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)c(COC)c2)C[C@H]1C ZINC001313865038 1071390445 /nfs/dbraw/zinc/39/04/45/1071390445.db2.gz NOONWIVBOBINFK-RTBURBONSA-N 1 0 452.578 3.901 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2ccc3ncccc3c2)C[C@H]1C ZINC001313866394 1071396005 /nfs/dbraw/zinc/39/60/05/1071396005.db2.gz ZGWXKWHBRKPKPC-AABGKKOBSA-N 1 0 452.603 3.518 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313867102 1071397962 /nfs/dbraw/zinc/39/79/62/1071397962.db2.gz LFMPDCWYKIXUIY-ZACQAIPSSA-N 1 0 478.041 3.826 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c(C)noc2C)C[C@H]1C ZINC001313867583 1071398985 /nfs/dbraw/zinc/39/89/85/1071398985.db2.gz MHYIXIIVNACSSR-CVEARBPZSA-N 1 0 454.575 3.534 20 0 JHADRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(Br)c(Cl)c3)cn2)CC1 ZINC001310454693 1071399220 /nfs/dbraw/zinc/39/92/20/1071399220.db2.gz HTHFFDIYNXPLJI-UHFFFAOYSA-N 1 0 452.784 3.961 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3)n2CCNc2nccc(C(F)(F)F)n2)C[C@H]1C ZINC001313867166 1071399198 /nfs/dbraw/zinc/39/91/98/1071399198.db2.gz MEZSNJJBAQDXRK-SJORKVTESA-N 1 0 474.535 3.785 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCOC2)C[C@@H]1C ZINC001313867629 1071400676 /nfs/dbraw/zinc/40/06/76/1071400676.db2.gz MSCCYATYUCSXDD-SLFFLAALSA-N 1 0 457.619 3.696 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCSCCCO)C[C@H]1C ZINC001313868552 1071405667 /nfs/dbraw/zinc/40/56/67/1071405667.db2.gz BSPSDWCPMUIJSP-SJORKVTESA-N 1 0 482.492 3.742 20 0 JHADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)c1C ZINC001310458749 1071402052 /nfs/dbraw/zinc/40/20/52/1071402052.db2.gz ITGBCVJZWFSAHZ-UHFFFAOYSA-N 1 0 454.497 3.594 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCOc2ccc(Cl)cc2)C[C@H]1C ZINC001313868147 1071402503 /nfs/dbraw/zinc/40/25/03/1071402503.db2.gz AUTYXNVFJYUMJK-MOPGFXCFSA-N 1 0 455.006 3.915 20 0 JHADRO Cc1c(C(=O)N2CCOCC2)c(NC(=O)N2CCC([NH+](C)C)CC2)sc1-c1ccccc1 ZINC001310460632 1071403483 /nfs/dbraw/zinc/40/34/83/1071403483.db2.gz CXOFQJCSAZFXRR-UHFFFAOYSA-N 1 0 456.612 3.754 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)c2ccc(OC)cc2)C[C@@H]1C ZINC001313868420 1071404465 /nfs/dbraw/zinc/40/44/65/1071404465.db2.gz NDAROFLRBCJNKZ-HKBOAZHASA-N 1 0 468.646 3.522 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)C[NH+](C)C ZINC001314946165 1071404905 /nfs/dbraw/zinc/40/49/05/1071404905.db2.gz PBUJFJOVDNTHMW-CQSZACIVSA-N 1 0 455.434 3.658 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)C[NH+](C)C ZINC001314946163 1071404929 /nfs/dbraw/zinc/40/49/29/1071404929.db2.gz PBUJFJOVDNTHMW-AWEZNQCLSA-N 1 0 455.434 3.658 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2Cc2conc2COC)C[C@H]1C ZINC001313869787 1071410273 /nfs/dbraw/zinc/41/02/73/1071410273.db2.gz QNNVGKUBTLEFDJ-CVEARBPZSA-N 1 0 489.418 3.809 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314948360 1071410951 /nfs/dbraw/zinc/41/09/51/1071410951.db2.gz NGDSZDXIEUOVRX-SBUREZEXSA-N 1 0 491.665 3.984 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCc2ccccn2)C[C@H]1C ZINC001313869502 1071407280 /nfs/dbraw/zinc/40/72/80/1071407280.db2.gz PVPSWONELRMYRY-MOPGFXCFSA-N 1 0 450.587 3.519 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCOC(C)C)C[C@H]1C ZINC001313869279 1071408471 /nfs/dbraw/zinc/40/84/71/1071408471.db2.gz PBGPQRYMOUOBCQ-YADHBBJMSA-N 1 0 484.693 3.576 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[NH+](C(C)C)C(C)C ZINC001314947862 1071408582 /nfs/dbraw/zinc/40/85/82/1071408582.db2.gz FPIMHVBLAMXTNH-MRXNPFEDSA-N 1 0 497.457 3.784 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313870604 1071414105 /nfs/dbraw/zinc/41/41/05/1071414105.db2.gz FBSNDDFCZIBDIC-UXHICEINSA-N 1 0 466.596 3.980 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCc2nccs2)C[C@@H]1C ZINC001313870634 1071414278 /nfs/dbraw/zinc/41/42/78/1071414278.db2.gz VEMCLPKJFTXSRX-RBUKOAKNSA-N 1 0 454.644 3.690 20 0 JHADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC001310472459 1071414544 /nfs/dbraw/zinc/41/45/44/1071414544.db2.gz OKQKTBFKXCRUDB-UHFFFAOYSA-N 1 0 452.527 3.732 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001314949398 1071414655 /nfs/dbraw/zinc/41/46/55/1071414655.db2.gz TXPPAXLNMGKMPR-NQIIRXRSSA-N 1 0 482.654 3.671 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@](C)(O)c2cccs2)C[C@@H]1C ZINC001313871146 1071416612 /nfs/dbraw/zinc/41/66/12/1071416612.db2.gz XKTUPRFUDHICCF-RLSLOFABSA-N 1 0 453.656 3.951 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001314950154 1071417564 /nfs/dbraw/zinc/41/75/64/1071417564.db2.gz GACNMBUMAIEDEG-QZTJIDSGSA-N 1 0 491.478 3.648 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2nnc(C)s2)C[C@@H]1C ZINC001313871579 1071417623 /nfs/dbraw/zinc/41/76/23/1071417623.db2.gz URSKZIZWGRVZSL-IRXDYDNUSA-N 1 0 485.658 3.674 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2cc(Br)ccc2OC)C[C@H]1C ZINC001313871849 1071418279 /nfs/dbraw/zinc/41/82/79/1071418279.db2.gz UAGVGPCBOWSVMD-IXDOHACOSA-N 1 0 478.435 3.520 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC001313871947 1071419251 /nfs/dbraw/zinc/41/92/51/1071419251.db2.gz VWURENBFKSKMDG-IAGOWNOFSA-N 1 0 468.005 3.919 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C)o2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001314950864 1071419678 /nfs/dbraw/zinc/41/96/78/1071419678.db2.gz NQPRFLLZVMRTPP-LJQANCHMSA-N 1 0 464.614 3.577 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccn3C)n2Cc2cccc(C(OC)OC)c2)C[C@H]1C ZINC001313872605 1071419801 /nfs/dbraw/zinc/41/98/01/1071419801.db2.gz JKZIPXOWNXKTDY-RTBURBONSA-N 1 0 452.603 3.542 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CCCC2=O)C[C@H]1C ZINC001313872262 1071421022 /nfs/dbraw/zinc/42/10/22/1071421022.db2.gz VWDIXHMGVLWKCA-RTWAWAEBSA-N 1 0 466.674 3.956 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C ZINC001313873044 1071423987 /nfs/dbraw/zinc/42/39/87/1071423987.db2.gz YKNPRIXHANGMMF-TUNNFDKTSA-N 1 0 468.646 3.568 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001313874168 1071428004 /nfs/dbraw/zinc/42/80/04/1071428004.db2.gz GJXGYJSSPYDBMC-MSOLQXFVSA-N 1 0 458.010 3.520 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001313874169 1071428020 /nfs/dbraw/zinc/42/80/20/1071428020.db2.gz GJXGYJSSPYDBMC-QZTJIDSGSA-N 1 0 458.010 3.520 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)CCOC)C[C@H]1C ZINC001313873437 1071425601 /nfs/dbraw/zinc/42/56/01/1071425601.db2.gz ZTLKEBQUMIFSOU-RTBURBONSA-N 1 0 459.635 3.944 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001313873917 1071426470 /nfs/dbraw/zinc/42/64/70/1071426470.db2.gz FFWFEHWYMOHEKZ-BMCPXHGSSA-N 1 0 498.455 3.623 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001313874316 1071427134 /nfs/dbraw/zinc/42/71/34/1071427134.db2.gz NLHPNLGCZACCSM-ROUUACIJSA-N 1 0 461.054 3.604 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001313874039 1071427282 /nfs/dbraw/zinc/42/72/82/1071427282.db2.gz FYQNTZJQDAMGST-RTBURBONSA-N 1 0 473.572 3.708 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc3cccnc32)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314955161 1071429380 /nfs/dbraw/zinc/42/93/80/1071429380.db2.gz ZBRNYMCXTNSPOE-CVDCTZTESA-N 1 0 477.657 3.822 20 0 JHADRO CCN1C[C@@H](CN(C)c2nnc(-c3ccccn3)n2CCC[N@H+](C)C(C)C)Oc2ccccc21 ZINC001313874643 1071429516 /nfs/dbraw/zinc/42/95/16/1071429516.db2.gz BRTMKFZAAWPMOI-OAQYLSRUSA-N 1 0 463.630 3.794 20 0 JHADRO CC(C)[N@@H+](Cc1ccc(NC(=O)NCCC(C)(C)S(C)(=O)=O)cc1)C[C@@H]1CCCCO1 ZINC001310491403 1071430681 /nfs/dbraw/zinc/43/06/81/1071430681.db2.gz VJAPWLHEXITQOT-NRFANRHFSA-N 1 0 453.649 3.801 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001313874857 1071431141 /nfs/dbraw/zinc/43/11/41/1071431141.db2.gz OKMPAVAVNALIAZ-LSDHHAIUSA-N 1 0 461.479 3.993 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CCc2csc(C)n2)C[C@H]1C ZINC001313875254 1071432694 /nfs/dbraw/zinc/43/26/94/1071432694.db2.gz PTOPMDVXUMGJHH-MSOLQXFVSA-N 1 0 454.644 3.804 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CCc2csc(C)n2)C[C@@H]1C ZINC001313875260 1071433051 /nfs/dbraw/zinc/43/30/51/1071433051.db2.gz PTOPMDVXUMGJHH-ZWKOTPCHSA-N 1 0 454.644 3.804 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313876482 1071438469 /nfs/dbraw/zinc/43/84/69/1071438469.db2.gz OYEFLJOHPSSVCK-PMACEKPBSA-N 1 0 482.595 3.969 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313877318 1071441477 /nfs/dbraw/zinc/44/14/77/1071441477.db2.gz WQBQUKFDRLCDCD-FCHUYYIVSA-N 1 0 452.647 3.965 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001313877541 1071442383 /nfs/dbraw/zinc/44/23/83/1071442383.db2.gz VGEYBWCZUDPYSZ-PZJWPPBQSA-N 1 0 475.609 3.531 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2CCN(C(=O)OC)CC2)C[C@H]1C ZINC001313877890 1071443202 /nfs/dbraw/zinc/44/32/02/1071443202.db2.gz XKHKREJINDACDL-MSOLQXFVSA-N 1 0 475.037 3.996 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCCOC2)C[C@@H]1C ZINC001313878341 1071444536 /nfs/dbraw/zinc/44/45/36/1071444536.db2.gz UHRDZQYIOHSZTN-FHWLQOOXSA-N 1 0 492.462 3.965 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccn3C)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313878860 1071445893 /nfs/dbraw/zinc/44/58/93/1071445893.db2.gz ZHQLTBMQZDLTMI-DLBZAZTESA-N 1 0 473.021 3.921 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2F)C[C@@H]1C ZINC001313878638 1071445379 /nfs/dbraw/zinc/44/53/79/1071445379.db2.gz WQZDMMICKHPHJX-DLBZAZTESA-N 1 0 474.531 3.679 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2Cc2ncccc2C)C[C@@H]1C ZINC001313879365 1071449554 /nfs/dbraw/zinc/44/95/54/1071449554.db2.gz ZNPZTPITRRUFFX-PMACEKPBSA-N 1 0 450.587 3.536 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3CCCCO3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001313879426 1071449974 /nfs/dbraw/zinc/44/99/74/1071449974.db2.gz BMLLXEFZWDVLOQ-SFHVURJKSA-N 1 0 459.557 3.535 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC001313879637 1071450700 /nfs/dbraw/zinc/45/07/00/1071450700.db2.gz ILMXVYDSTGSMPL-CVDCTZTESA-N 1 0 468.646 3.514 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313880140 1071451939 /nfs/dbraw/zinc/45/19/39/1071451939.db2.gz PHRHEAPABQKWKI-FQEVSTJZSA-N 1 0 475.037 3.650 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001313880561 1071452551 /nfs/dbraw/zinc/45/25/51/1071452551.db2.gz XHNJDUSABCEFMC-UHFFFAOYSA-N 1 0 495.672 3.565 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@@H](COC)C2)CC1 ZINC001313880807 1071453095 /nfs/dbraw/zinc/45/30/95/1071453095.db2.gz NRKRLGCCFMGOEC-HXUWFJFHSA-N 1 0 457.619 3.557 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccc(C)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001313880875 1071453227 /nfs/dbraw/zinc/45/32/27/1071453227.db2.gz BPDBBILYJBVRLO-UHFFFAOYSA-N 1 0 482.673 3.592 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3cccc(C)c3)nnc2N2C[C@H](COC)O[C@@H](C)C2)CC1 ZINC001313881472 1071455223 /nfs/dbraw/zinc/45/52/23/1071455223.db2.gz AZJJEYPSYGBVPD-XUZZJYLKSA-N 1 0 471.646 3.528 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313881616 1071455930 /nfs/dbraw/zinc/45/59/30/1071455930.db2.gz LTYWFYMILIJUIO-FKBYEOEOSA-N 1 0 465.708 3.702 20 0 JHADRO CC[NH+]1CCC(CCn2c(N(C)Cc3ccc(C)o3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001313881704 1071456076 /nfs/dbraw/zinc/45/60/76/1071456076.db2.gz NLXBCRYUJZPITR-VWLOTQADSA-N 1 0 459.635 3.979 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CCc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001313884085 1071463408 /nfs/dbraw/zinc/46/34/08/1071463408.db2.gz KUIHSHLQWDZRGR-SOUVJXGZSA-N 1 0 458.554 3.767 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 ZINC001313882996 1071460398 /nfs/dbraw/zinc/46/03/98/1071460398.db2.gz CIVRKPYLSXRJRD-GBESFXJTSA-N 1 0 476.021 3.803 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313883122 1071460414 /nfs/dbraw/zinc/46/04/14/1071460414.db2.gz IHOKTKXAIQKCMR-XDWAVFMPSA-N 1 0 476.666 3.694 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314973079 1071461426 /nfs/dbraw/zinc/46/14/26/1071461426.db2.gz LHEAQDLDSFIVEX-AVRWGWEMSA-N 1 0 456.610 3.557 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3cccnc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001313883284 1071461459 /nfs/dbraw/zinc/46/14/59/1071461459.db2.gz RFZDRPGOWXQYAI-XMMPIXPASA-N 1 0 494.606 3.916 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccccc3OC)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001313883578 1071462109 /nfs/dbraw/zinc/46/21/09/1071462109.db2.gz UETYSZZTWYBWGO-HYBUGGRVSA-N 1 0 455.647 3.861 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccccc3F)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001313883623 1071462744 /nfs/dbraw/zinc/46/27/44/1071462744.db2.gz VLMVDYMEMRXSLY-NRFANRHFSA-N 1 0 457.594 3.519 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001313883837 1071462866 /nfs/dbraw/zinc/46/28/66/1071462866.db2.gz KIBAZIGOANJZPS-WOJBJXKFSA-N 1 0 486.636 3.640 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CSc3ccc(C)cc3)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001313884835 1071465080 /nfs/dbraw/zinc/46/50/80/1071465080.db2.gz NTEOORKZINZILW-NHCUHLMSSA-N 1 0 483.686 3.689 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 ZINC001313885041 1071465855 /nfs/dbraw/zinc/46/58/55/1071465855.db2.gz WHNSLHXKUXONHK-ACRUOGEOSA-N 1 0 486.636 3.592 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001313885133 1071466459 /nfs/dbraw/zinc/46/64/59/1071466459.db2.gz ACNNNHHBNXZUHH-HNNXBMFYSA-N 1 0 495.441 3.539 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCC[C@@H](COC)C2)C1 ZINC001313885256 1071466519 /nfs/dbraw/zinc/46/65/19/1071466519.db2.gz BFARFJINQXGUTB-QZTJIDSGSA-N 1 0 492.462 3.921 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(C3CCC3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001314976104 1071466868 /nfs/dbraw/zinc/46/68/68/1071466868.db2.gz HWHBQQKBNCLVQY-FQEVSTJZSA-N 1 0 452.628 3.906 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2ccc(I)cc2)C[C@@H]1C ZINC001313885519 1071467136 /nfs/dbraw/zinc/46/71/36/1071467136.db2.gz PGBOHNDCLNSXQI-TXPKVOOTSA-N 1 0 495.409 3.701 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001313886062 1071469014 /nfs/dbraw/zinc/46/90/14/1071469014.db2.gz LTBFSHRBNPQGQW-GGAORHGYSA-N 1 0 482.673 3.769 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001313886840 1071471268 /nfs/dbraw/zinc/47/12/68/1071471268.db2.gz BMEDDCAZEABWCM-QZTJIDSGSA-N 1 0 492.462 3.921 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001314977301 1071471926 /nfs/dbraw/zinc/47/19/26/1071471926.db2.gz MZIZCEYTRZCBDR-WXVAWEFUSA-N 1 0 482.673 3.557 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001314977945 1071474151 /nfs/dbraw/zinc/47/41/51/1071474151.db2.gz COLROIRPRFMDQC-UNMCSNQZSA-N 1 0 482.654 3.533 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCSC2)C[C@@H]1C ZINC001313888686 1071478250 /nfs/dbraw/zinc/47/82/50/1071478250.db2.gz XHRGLYPGZKVZPO-YDHSSHFGSA-N 1 0 461.701 3.666 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCC(CO)CC2)C1 ZINC001313889111 1071479463 /nfs/dbraw/zinc/47/94/63/1071479463.db2.gz JRQGWLMAIMGIRD-INIZCTEOSA-N 1 0 482.854 3.912 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001314979916 1071480489 /nfs/dbraw/zinc/48/04/89/1071480489.db2.gz PRSLJKPBLDKJRA-UHFFFAOYSA-N 1 0 475.641 3.524 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001313890095 1071481539 /nfs/dbraw/zinc/48/15/39/1071481539.db2.gz MEOAMYMFNZQEDN-FQEVSTJZSA-N 1 0 452.647 3.676 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001314980372 1071482034 /nfs/dbraw/zinc/48/20/34/1071482034.db2.gz UDDOTSOJJISFIM-FCHUYYIVSA-N 1 0 482.654 3.880 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccoc2)C1 ZINC001313890776 1071483055 /nfs/dbraw/zinc/48/30/55/1071483055.db2.gz PNECYGVUVSNKNY-YSIASYRMSA-N 1 0 458.607 3.620 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313892263 1071487010 /nfs/dbraw/zinc/48/70/10/1071487010.db2.gz CZIMUSCPRPNSKP-SFHLNBCPSA-N 1 0 491.080 3.991 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(C)C)CC1 ZINC001313892326 1071487059 /nfs/dbraw/zinc/48/70/59/1071487059.db2.gz DSLYTJIGAGERPT-JOCHJYFZSA-N 1 0 488.702 3.552 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313892595 1071487877 /nfs/dbraw/zinc/48/78/77/1071487877.db2.gz GGBXBIZRJXMKDT-HKUYNNGSSA-N 1 0 477.053 3.907 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313893998 1071491740 /nfs/dbraw/zinc/49/17/40/1071491740.db2.gz RRWYHBABWDBXKH-VQTJNVASSA-N 1 0 470.618 3.541 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)C1 ZINC001313892925 1071488592 /nfs/dbraw/zinc/48/85/92/1071488592.db2.gz MSUDWUYIXMKEEK-OAQYLSRUSA-N 1 0 485.677 3.709 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313893343 1071490237 /nfs/dbraw/zinc/49/02/37/1071490237.db2.gz DBRZUAWTBZYNRQ-YSIASYRMSA-N 1 0 474.675 3.622 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313893997 1071491668 /nfs/dbraw/zinc/49/16/68/1071491668.db2.gz RRWYHBABWDBXKH-PMACEKPBSA-N 1 0 470.618 3.541 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccc(C)s2)C1 ZINC001313894094 1071492500 /nfs/dbraw/zinc/49/25/00/1071492500.db2.gz GVGCHZFRLROLBT-QGZVFWFLSA-N 1 0 458.657 3.618 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC001313894858 1071494823 /nfs/dbraw/zinc/49/48/23/1071494823.db2.gz XKDGJQMIVVIUDK-ICSRJNTNSA-N 1 0 455.582 3.894 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccccc2SC)C1 ZINC001313894901 1071494995 /nfs/dbraw/zinc/49/49/95/1071494995.db2.gz JOPCNFIKTAAFGN-HXUWFJFHSA-N 1 0 453.660 3.840 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313894907 1071495736 /nfs/dbraw/zinc/49/57/36/1071495736.db2.gz DYTRQFAIYIEKNK-ZBFHGGJFSA-N 1 0 496.837 3.845 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@@H](COC)C1 ZINC001313895394 1071497215 /nfs/dbraw/zinc/49/72/15/1071497215.db2.gz HVEPCDUDTCYYNM-UXHICEINSA-N 1 0 457.619 3.700 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001313895898 1071498736 /nfs/dbraw/zinc/49/87/36/1071498736.db2.gz LMPZZVQRECDKLA-ZIFCJYIRSA-N 1 0 481.613 3.560 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313895866 1071498782 /nfs/dbraw/zinc/49/87/82/1071498782.db2.gz LGDNFWWOLLQYAA-WIYYLYMNSA-N 1 0 497.562 3.993 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313895865 1071498802 /nfs/dbraw/zinc/49/88/02/1071498802.db2.gz LGDNFWWOLLQYAA-RXVVDRJESA-N 1 0 497.562 3.993 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314988738 1071502040 /nfs/dbraw/zinc/50/20/40/1071502040.db2.gz MAGQJENSXGHJCF-NLWGTHIKSA-N 1 0 490.599 3.629 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001313897347 1071502081 /nfs/dbraw/zinc/50/20/81/1071502081.db2.gz VDPXJUWOCFHVOG-ISKFKSNPSA-N 1 0 480.701 3.782 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001313897284 1071502153 /nfs/dbraw/zinc/50/21/53/1071502153.db2.gz XCYBATKAYNAMJB-SFHVURJKSA-N 1 0 485.576 3.612 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314990659 1071505644 /nfs/dbraw/zinc/50/56/44/1071505644.db2.gz QPNNOHSAJHIKIQ-LJQANCHMSA-N 1 0 459.038 3.825 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(CCOC)CC2CC2)C1 ZINC001313898586 1071505993 /nfs/dbraw/zinc/50/59/93/1071505993.db2.gz RMKOPJCXAMLGQH-SFTDATJTSA-N 1 0 476.666 3.555 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313898922 1071506316 /nfs/dbraw/zinc/50/63/16/1071506316.db2.gz DOGKZLQLOVAZGL-DXBBTUNJSA-N 1 0 490.693 3.786 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313899209 1071507105 /nfs/dbraw/zinc/50/71/05/1071507105.db2.gz GYSFNKGVAJBJFC-LEWJYISDSA-N 1 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3.557 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313902163 1071513123 /nfs/dbraw/zinc/51/31/23/1071513123.db2.gz KFSLKZUBXNMVFQ-QUCCMNQESA-N 1 0 471.650 3.887 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313902308 1071513196 /nfs/dbraw/zinc/51/31/96/1071513196.db2.gz FJMWBVNXLSTHJD-OAQYLSRUSA-N 1 0 484.645 3.707 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)C[C@H]1CCCOC1 ZINC001313902344 1071513537 /nfs/dbraw/zinc/51/35/37/1071513537.db2.gz GFKYCAJGGRWZSV-UXHICEINSA-N 1 0 459.660 3.926 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(F)cc1 ZINC001313903022 1071515121 /nfs/dbraw/zinc/51/51/21/1071515121.db2.gz KKTQQUHRZFTTMH-LJQANCHMSA-N 1 0 456.591 3.529 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(COc3ccccc3F)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001314997074 1071515719 /nfs/dbraw/zinc/51/57/19/1071515719.db2.gz OIRYKGOXYDBMHX-FQEVSTJZSA-N 1 0 486.636 3.613 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001313903860 1071516836 /nfs/dbraw/zinc/51/68/36/1071516836.db2.gz FAYALEIPXHXSJI-YPAWHYETSA-N 1 0 468.646 3.576 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001313904176 1071517184 /nfs/dbraw/zinc/51/71/84/1071517184.db2.gz PRLXSHPHOBSYNT-MRXNPFEDSA-N 1 0 492.571 3.808 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313904309 1071517423 /nfs/dbraw/zinc/51/74/23/1071517423.db2.gz TURVFRIZKSZDTC-FGZHOGPDSA-N 1 0 452.647 3.726 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001313906633 1071525138 /nfs/dbraw/zinc/52/51/38/1071525138.db2.gz YCINFXZUGCYTAG-RZUBCFFCSA-N 1 0 488.702 3.552 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001315001638 1071525380 /nfs/dbraw/zinc/52/53/80/1071525380.db2.gz URZUNLXIKZMSPY-CJAUYULYSA-N 1 0 456.610 3.557 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C)C1 ZINC001313905197 1071520759 /nfs/dbraw/zinc/52/07/59/1071520759.db2.gz NRZHCDWRIHSROM-WBVHZDCISA-N 1 0 466.399 3.946 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001315000273 1071521537 /nfs/dbraw/zinc/52/15/37/1071521537.db2.gz XBCQPZVQWZIAII-SFTDATJTSA-N 1 0 482.673 3.674 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001315000598 1071522144 /nfs/dbraw/zinc/52/21/44/1071522144.db2.gz DSNXSCKEKURMJH-UHFFFAOYSA-N 1 0 489.064 3.834 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001315000623 1071522248 /nfs/dbraw/zinc/52/22/48/1071522248.db2.gz FEPJBLNTAGBXFZ-NRFANRHFSA-N 1 0 459.038 3.681 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313906101 1071523351 /nfs/dbraw/zinc/52/33/51/1071523351.db2.gz SLJYCOATTPLBTN-MOPGFXCFSA-N 1 0 495.466 3.540 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001313908665 1071531076 /nfs/dbraw/zinc/53/10/76/1071531076.db2.gz AOJOZYLMDXWJAK-NJYVYQBISA-N 1 0 460.667 3.525 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C)C(=O)C1 ZINC001313909210 1071530785 /nfs/dbraw/zinc/53/07/85/1071530785.db2.gz PQDODOUXDXFDDH-MRXNPFEDSA-N 1 0 495.853 3.514 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1ncnn1CC(F)F ZINC001313909627 1071532303 /nfs/dbraw/zinc/53/23/03/1071532303.db2.gz RTMGWJOYQQMWEJ-INIZCTEOSA-N 1 0 478.979 3.966 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001313910036 1071533842 /nfs/dbraw/zinc/53/38/42/1071533842.db2.gz UMMLKIWKGMJRHH-WZONZLPQSA-N 1 0 489.462 3.592 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001313910035 1071534040 /nfs/dbraw/zinc/53/40/40/1071534040.db2.gz UMMLKIWKGMJRHH-MBSDFSHPSA-N 1 0 489.462 3.592 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001313910571 1071535891 /nfs/dbraw/zinc/53/58/91/1071535891.db2.gz WZFOKRLCRADJLB-HZPDHXFCSA-N 1 0 495.491 3.735 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313913081 1071541844 /nfs/dbraw/zinc/54/18/44/1071541844.db2.gz KJBUAYWDDDOGMQ-IRLDBZIGSA-N 1 0 482.673 3.731 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC(CO)CC1 ZINC001313912972 1071541891 /nfs/dbraw/zinc/54/18/91/1071541891.db2.gz JRLJCCCZDSQVIK-FQEVSTJZSA-N 1 0 459.660 3.662 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC001313911879 1071538506 /nfs/dbraw/zinc/53/85/06/1071538506.db2.gz SHEPSALRRXEKPF-IBGZPJMESA-N 1 0 489.571 3.799 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313911931 1071539051 /nfs/dbraw/zinc/53/90/51/1071539051.db2.gz FNHCPGYAHHUMCJ-UYAOXDASSA-N 1 0 467.536 3.807 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001315019898 1071539078 /nfs/dbraw/zinc/53/90/78/1071539078.db2.gz DLIRHAOXOPSTLJ-UHFFFAOYSA-N 1 0 498.672 3.578 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001313912384 1071540058 /nfs/dbraw/zinc/54/00/58/1071540058.db2.gz IKCMVSCOLMCGDK-JOCHJYFZSA-N 1 0 451.619 3.718 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315020232 1071540195 /nfs/dbraw/zinc/54/01/95/1071540195.db2.gz LSDLTZTZTSNMRU-OYRHEFFESA-N 1 0 482.673 3.674 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[NH+](C(C)C)C(C)C)CC1=O ZINC001313914320 1071546902 /nfs/dbraw/zinc/54/69/02/1071546902.db2.gz WJZWJHPRWDPSPN-UHFFFAOYSA-N 1 0 477.053 3.785 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1=O ZINC001313913465 1071543504 /nfs/dbraw/zinc/54/35/04/1071543504.db2.gz MTPCYOSYRCHDAG-PMACEKPBSA-N 1 0 488.080 3.810 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001315022040 1071543690 /nfs/dbraw/zinc/54/36/90/1071543690.db2.gz VIYCLZHGWHXAQC-UHFFFAOYSA-N 1 0 467.662 3.657 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315022682 1071544849 /nfs/dbraw/zinc/54/48/49/1071544849.db2.gz VSMQMJIMYZVHMT-KRWDZBQOSA-N 1 0 477.028 3.822 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001315024965 1071548702 /nfs/dbraw/zinc/54/87/02/1071548702.db2.gz WDKBKOZAULFHTD-HXUWFJFHSA-N 1 0 488.627 3.620 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313915822 1071551525 /nfs/dbraw/zinc/55/15/25/1071551525.db2.gz TZTMYPHOQJZHRF-RXFWQSSRSA-N 1 0 487.645 3.978 20 0 JHADRO CCN1CCCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)CC1=O ZINC001313917594 1071555132 /nfs/dbraw/zinc/55/51/32/1071555132.db2.gz PDUIWCCUSKCEGR-UHFFFAOYSA-N 1 0 452.647 3.668 20 0 JHADRO CCN1CCCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1=O ZINC001313917824 1071555226 /nfs/dbraw/zinc/55/52/26/1071555226.db2.gz CCFQFQXXNSPABG-NRFANRHFSA-N 1 0 475.641 3.837 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313919414 1071557095 /nfs/dbraw/zinc/55/70/95/1071557095.db2.gz AVJSTNMKCBWMOT-SVFBPWRDSA-N 1 0 476.666 3.525 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCc3ccc(Br)cc3C2)CC1 ZINC001313920761 1071559289 /nfs/dbraw/zinc/55/92/89/1071559289.db2.gz MGYQJPFYQGXFQC-SFHVURJKSA-N 1 0 475.479 3.753 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313920473 1071558561 /nfs/dbraw/zinc/55/85/61/1071558561.db2.gz JFYVOXOKUCSETM-IBGZPJMESA-N 1 0 468.671 3.986 20 0 JHADRO CCN1CCCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1=O ZINC001313920892 1071559886 /nfs/dbraw/zinc/55/98/86/1071559886.db2.gz JDDGFPHQJNUWKF-LJQANCHMSA-N 1 0 495.697 3.822 20 0 JHADRO CNC(=O)CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315031181 1071560555 /nfs/dbraw/zinc/56/05/55/1071560555.db2.gz FJHJIKWCCKXTGQ-WYEJZRMESA-N 1 0 474.625 3.640 20 0 JHADRO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313921491 1071562041 /nfs/dbraw/zinc/56/20/41/1071562041.db2.gz MXAIFPYBNDJRQB-FYYLOGMGSA-N 1 0 482.673 3.653 20 0 JHADRO CCN1CCCN(c2nnc(CCCc3ccccc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1=O ZINC001313921907 1071563145 /nfs/dbraw/zinc/56/31/45/1071563145.db2.gz QEHUHMARIGGFTB-QHCPKHFHSA-N 1 0 466.674 3.777 20 0 JHADRO CCN1CCCN(c2nnc(CCCc3ccccc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1=O ZINC001313921906 1071563202 /nfs/dbraw/zinc/56/32/02/1071563202.db2.gz QEHUHMARIGGFTB-HSZRJFAPSA-N 1 0 466.674 3.777 20 0 JHADRO CCN1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](CC(C)C)[NH+](C)C)CC1=O ZINC001313924351 1071570157 /nfs/dbraw/zinc/57/01/57/1071570157.db2.gz HJBJRKVZWRXGMS-NRFANRHFSA-N 1 0 472.703 3.914 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC=C(C)C2)CC1 ZINC001313922959 1071565724 /nfs/dbraw/zinc/56/57/24/1071565724.db2.gz ZAAHUMWSXJUNNU-LEWJYISDSA-N 1 0 456.610 3.740 20 0 JHADRO CNC(=O)CCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315034430 1071566407 /nfs/dbraw/zinc/56/64/07/1071566407.db2.gz MMNLUDXHSDDWII-FUPPJEDESA-N 1 0 476.710 3.670 20 0 JHADRO CNC(=O)CCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001315034431 1071566431 /nfs/dbraw/zinc/56/64/31/1071566431.db2.gz MMNLUDXHSDDWII-MQSCRBSSSA-N 1 0 476.710 3.670 20 0 JHADRO CCN(CC(C)C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001313923528 1071567359 /nfs/dbraw/zinc/56/73/59/1071567359.db2.gz OJVSHNWUHYTBEO-QFIPXVFZSA-N 1 0 469.678 3.656 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313923907 1071568832 /nfs/dbraw/zinc/56/88/32/1071568832.db2.gz APPACAGMXZUUBO-OTWHNJEPSA-N 1 0 464.580 3.838 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313924449 1071570903 /nfs/dbraw/zinc/57/09/03/1071570903.db2.gz GBWGMRWYJCCZAI-UYAOXDASSA-N 1 0 480.579 3.758 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C)cc3)CC2)CC1 ZINC001313926120 1071575603 /nfs/dbraw/zinc/57/56/03/1071575603.db2.gz CMGKGYHNQGEWEC-QHCPKHFHSA-N 1 0 467.706 3.528 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313924954 1071572273 /nfs/dbraw/zinc/57/22/73/1071572273.db2.gz KCZRNNGCXGCZOO-LEWJYISDSA-N 1 0 463.630 3.572 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001313925370 1071573198 /nfs/dbraw/zinc/57/31/98/1071573198.db2.gz PDOATOWCVUBGEV-RTBURBONSA-N 1 0 471.650 3.807 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(N3CCO[C@H](c4ccccc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001313926178 1071575371 /nfs/dbraw/zinc/57/53/71/1071575371.db2.gz ATPBUMWZHNISDD-UGKGYDQZSA-N 1 0 475.081 3.833 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC[C@@H](COC)C2)CC1 ZINC001313926160 1071575433 /nfs/dbraw/zinc/57/54/33/1071575433.db2.gz AGRIWZBGVZXFCF-JWQCQUIFSA-N 1 0 498.716 3.753 20 0 JHADRO CNC(=O)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315044946 1071576637 /nfs/dbraw/zinc/57/66/37/1071576637.db2.gz LFJXBGQQDVCSEU-UHFFFAOYSA-N 1 0 470.618 3.916 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313926756 1071577537 /nfs/dbraw/zinc/57/75/37/1071577537.db2.gz XVIVUQLEUBRZPC-IBGZPJMESA-N 1 0 492.615 3.612 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313927086 1071578724 /nfs/dbraw/zinc/57/87/24/1071578724.db2.gz ZYICGDGLGDQYQL-QGZVFWFLSA-N 1 0 460.001 3.728 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313926999 1071578742 /nfs/dbraw/zinc/57/87/42/1071578742.db2.gz HBDUVDDMUXJXFI-QFIPXVFZSA-N 1 0 454.663 3.818 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC001313927184 1071579351 /nfs/dbraw/zinc/57/93/51/1071579351.db2.gz HLEGFJKPNJWCEK-NZQKXSOJSA-N 1 0 472.653 3.610 20 0 JHADRO CNC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001315054269 1071579499 /nfs/dbraw/zinc/57/94/99/1071579499.db2.gz VIUOAYHMDJYHQQ-UHFFFAOYSA-N 1 0 482.673 3.702 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313927417 1071579820 /nfs/dbraw/zinc/57/98/20/1071579820.db2.gz KRBARURYQVKBJD-MYDTUXCISA-N 1 0 460.711 3.849 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001313929318 1071586539 /nfs/dbraw/zinc/58/65/39/1071586539.db2.gz YYTKTVDVYMMPCZ-DNVJHFABSA-N 1 0 486.730 3.830 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313928298 1071583139 /nfs/dbraw/zinc/58/31/39/1071583139.db2.gz UJBNGZQVAGLVCT-NRFANRHFSA-N 1 0 472.703 3.523 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CCN(C)CC(F)(F)F)C[C@H]1C ZINC001313931443 1071590407 /nfs/dbraw/zinc/59/04/07/1071590407.db2.gz DSFMCLSSOQRNKV-GOSISDBHSA-N 1 0 475.563 3.826 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCCCC2)C1 ZINC001315082019 1071590794 /nfs/dbraw/zinc/59/07/94/1071590794.db2.gz QARWVIKOYUZFGV-KRWDZBQOSA-N 1 0 476.419 3.583 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(C)nnc3N(C)Cc3ccc(Br)cc3)cn2)CC1 ZINC001313931168 1071590901 /nfs/dbraw/zinc/59/09/01/1071590901.db2.gz BBWIXTUCSCDRBG-UHFFFAOYSA-N 1 0 484.446 3.571 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nc(C)c(C)s2)C[C@@H]1C ZINC001313931287 1071591542 /nfs/dbraw/zinc/59/15/42/1071591542.db2.gz QPLLOCZBPDODLG-HNNXBMFYSA-N 1 0 488.061 3.514 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@@H]2c2ccc(COC)o2)CC1 ZINC001313931341 1071591691 /nfs/dbraw/zinc/59/16/91/1071591691.db2.gz XYALSEZLNJEXTL-RBBKRZOGSA-N 1 0 458.651 3.584 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001315082300 1071591769 /nfs/dbraw/zinc/59/17/69/1071591769.db2.gz AWKIESNUFIOVMM-UGKGYDQZSA-N 1 0 473.593 3.506 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)CC(F)(F)F)CC1 ZINC001313931972 1071594386 /nfs/dbraw/zinc/59/43/86/1071594386.db2.gz VISLCHXELGUUGN-QGZVFWFLSA-N 1 0 477.535 3.625 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)CCC(C)C)C[C@H]1C ZINC001313932281 1071594936 /nfs/dbraw/zinc/59/49/36/1071594936.db2.gz HUUIMPOSDRZXEH-VGSWGCGISA-N 1 0 481.483 3.764 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCN2CCCCC2=O)C[C@H]1C ZINC001313933412 1071597944 /nfs/dbraw/zinc/59/79/44/1071597944.db2.gz LKLPFAVXAYEESO-GOSISDBHSA-N 1 0 489.462 3.641 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCSCCCO)C[C@@H]1C ZINC001313933589 1071598341 /nfs/dbraw/zinc/59/83/41/1071598341.db2.gz PAVNCHOZRONOQE-MSOLQXFVSA-N 1 0 463.717 3.777 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCSC(C)C)C[C@@H]1C ZINC001313933606 1071598579 /nfs/dbraw/zinc/59/85/79/1071598579.db2.gz LQQZOPZDCDEVDY-KRWDZBQOSA-N 1 0 463.648 3.643 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCCCS(C)(=O)=O)C[C@@H]1C ZINC001313934753 1071603571 /nfs/dbraw/zinc/60/35/71/1071603571.db2.gz VMFDRMMZMTXCTG-FQEVSTJZSA-N 1 0 475.703 3.988 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2cccc(F)c2)C[C@H]1C ZINC001313933818 1071599871 /nfs/dbraw/zinc/59/98/71/1071599871.db2.gz LYCMOLZJDDYXCN-GOSISDBHSA-N 1 0 465.577 3.573 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)(C)C)nnc3N3CC[C@H](OCC(C)C)C3)cn2)CC1 ZINC001313933802 1071599923 /nfs/dbraw/zinc/59/99/23/1071599923.db2.gz LSNHUFNCPSQYGJ-QHCPKHFHSA-N 1 0 483.705 3.703 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001313934099 1071600448 /nfs/dbraw/zinc/60/04/48/1071600448.db2.gz SEUMSVQMJNRNRG-QZTJIDSGSA-N 1 0 458.676 3.577 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)c2ccsc2)C[C@@H]1C ZINC001313934114 1071601127 /nfs/dbraw/zinc/60/11/27/1071601127.db2.gz OLYDBCFDQLBRBJ-UQBPGWFLSA-N 1 0 482.654 3.647 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](OC)C2CC2)C[C@@H]1C ZINC001313934327 1071601884 /nfs/dbraw/zinc/60/18/84/1071601884.db2.gz RHZWCKYXUDKYOI-IFXJQAMLSA-N 1 0 466.399 3.802 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001313935347 1071604759 /nfs/dbraw/zinc/60/47/59/1071604759.db2.gz YMIKSYAIGMIOLP-SFHVURJKSA-N 1 0 499.457 3.602 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNC(=O)C(C)C)C[C@@H]1C ZINC001313935143 1071604918 /nfs/dbraw/zinc/60/49/18/1071604918.db2.gz XNSFXLPZXGLTTG-IBGZPJMESA-N 1 0 472.703 3.968 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(C(N)=O)CCCC2)C[C@H]1C ZINC001313935379 1071605330 /nfs/dbraw/zinc/60/53/30/1071605330.db2.gz YROLVLXZKIQEPF-QGZVFWFLSA-N 1 0 489.462 3.592 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2sccc2Br)C[C@@H]1C ZINC001313935787 1071606767 /nfs/dbraw/zinc/60/67/67/1071606767.db2.gz YQYPZHHJQYOWQL-KKSFZXQISA-N 1 0 498.491 3.721 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCCC3)n2CCc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC001313936322 1071607920 /nfs/dbraw/zinc/60/79/20/1071607920.db2.gz DHDCIEJVWKOSKS-GOSISDBHSA-N 1 0 457.619 3.735 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2sc(C)nc2C)C[C@H]1C ZINC001313936537 1071608610 /nfs/dbraw/zinc/60/86/10/1071608610.db2.gz PTMVWJXQMMBBJO-OAHLLOKOSA-N 1 0 456.616 3.614 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC)c(Br)c2)C[C@H]1C ZINC001313936560 1071609018 /nfs/dbraw/zinc/60/90/18/1071609018.db2.gz GDIPHDQHHVPCSO-OXQOHEQNSA-N 1 0 478.435 3.870 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ncnn2C(C)(C)C)C[C@@H]1C ZINC001313937136 1071610237 /nfs/dbraw/zinc/61/02/37/1071610237.db2.gz TYXGIGWZYDEOHS-INIZCTEOSA-N 1 0 487.450 3.633 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H](C)OC)C[C@@H]1C ZINC001313940600 1071615393 /nfs/dbraw/zinc/61/53/93/1071615393.db2.gz OPRSIMKYWRRCHQ-RBUKOAKNSA-N 1 0 450.027 3.817 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313937491 1071611367 /nfs/dbraw/zinc/61/13/67/1071611367.db2.gz VIBOHNZSWJHKCO-OALUTQOASA-N 1 0 472.634 3.645 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC001313937510 1071611463 /nfs/dbraw/zinc/61/14/63/1071611463.db2.gz VPEUKJGYODFRDX-IBGZPJMESA-N 1 0 486.661 3.576 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001313938532 1071612088 /nfs/dbraw/zinc/61/20/88/1071612088.db2.gz KFMHDKNSYIKYQC-INIZCTEOSA-N 1 0 478.494 3.999 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(CC)CCOCC2)C[C@H]1C ZINC001313938309 1071612140 /nfs/dbraw/zinc/61/21/40/1071612140.db2.gz ZBEMFYVWMDNMDV-LJQANCHMSA-N 1 0 457.619 3.700 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313938683 1071612215 /nfs/dbraw/zinc/61/22/15/1071612215.db2.gz WHHAZLARMCEZEL-LPHOPBHVSA-N 1 0 464.010 3.769 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001313939418 1071613332 /nfs/dbraw/zinc/61/33/32/1071613332.db2.gz DKQJFIQXEGBWGD-DNVCBOLYSA-N 1 0 450.509 3.924 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313940981 1071616120 /nfs/dbraw/zinc/61/61/20/1071616120.db2.gz RETBGJMOTCOPIP-CUDBPUKSSA-N 1 0 455.647 3.806 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2ccn(C)n2)C[C@H]1C ZINC001313943243 1071622000 /nfs/dbraw/zinc/62/20/00/1071622000.db2.gz QQBPRLIYIUYLPG-HXUWFJFHSA-N 1 0 465.646 3.661 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCCC2(C)C)C[C@H]1C ZINC001313942027 1071618833 /nfs/dbraw/zinc/61/88/33/1071618833.db2.gz GYQCPDDAFZWONT-RLWLMLJZSA-N 1 0 455.647 3.946 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CCC(C)C)C2)CC1 ZINC001313945894 1071627335 /nfs/dbraw/zinc/62/73/35/1071627335.db2.gz WZMCWMBNNNCQID-IFMALSPDSA-N 1 0 458.626 3.820 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC001313943300 1071622690 /nfs/dbraw/zinc/62/26/90/1071622690.db2.gz RHIHXNSBEHKIAZ-QGZVFWFLSA-N 1 0 493.990 3.973 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313944226 1071624576 /nfs/dbraw/zinc/62/45/76/1071624576.db2.gz BYYQHGRNQMQXJH-SFHVURJKSA-N 1 0 469.431 3.914 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC[N@H+](C)C(C)C)CC2)C1=O ZINC001313945330 1071626049 /nfs/dbraw/zinc/62/60/49/1071626049.db2.gz NBJSHWDFNXTRKJ-UHFFFAOYSA-N 1 0 474.053 3.665 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCc3csc(C(C)C)n3)C2)CC1 ZINC001313946977 1071630469 /nfs/dbraw/zinc/63/04/69/1071630469.db2.gz IPJOCPHEVVXDOR-OAQYLSRUSA-N 1 0 473.735 3.906 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CSc4ccc(Cl)cc4)n3C[C@](C)(O)CC)C2)CC1 ZINC001313948746 1071634525 /nfs/dbraw/zinc/63/45/25/1071634525.db2.gz HPWSYRDFLODOAJ-HYBUGGRVSA-N 1 0 493.121 3.601 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001313949728 1071636908 /nfs/dbraw/zinc/63/69/08/1071636908.db2.gz QVSQCJMPAQNLGC-LJQANCHMSA-N 1 0 458.676 3.572 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313950443 1071638698 /nfs/dbraw/zinc/63/86/98/1071638698.db2.gz PHYLZGJCAMTKJC-MJGOQNOKSA-N 1 0 468.568 3.899 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313951027 1071640063 /nfs/dbraw/zinc/64/00/63/1071640063.db2.gz CTCUGPHRZCVRDA-AOHZBQACSA-N 1 0 454.663 3.643 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)c2nccs2)C[C@@H]1C ZINC001313951132 1071640507 /nfs/dbraw/zinc/64/05/07/1071640507.db2.gz ZSSSYCFASAMUTR-HCXYKTFWSA-N 1 0 489.690 3.839 20 0 JHADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCN(c3ccccc3F)C[C@@H]2C)CC1 ZINC001313952374 1071645197 /nfs/dbraw/zinc/64/51/97/1071645197.db2.gz PHWPJATVAZCPAX-QFIPXVFZSA-N 1 0 471.669 3.673 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cccc(Cl)c3)nnc2N(C)CC2CCOCC2)CC1 ZINC001313951338 1071641668 /nfs/dbraw/zinc/64/16/68/1071641668.db2.gz GKHRSCRPSFCTIC-UHFFFAOYSA-N 1 0 475.081 3.879 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001313951331 1071641806 /nfs/dbraw/zinc/64/18/06/1071641806.db2.gz GFWDJXYQJPGKDN-MOPGFXCFSA-N 1 0 492.510 3.936 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313951492 1071642362 /nfs/dbraw/zinc/64/23/62/1071642362.db2.gz ISFJPGGCECQXLK-CEMLEFRQSA-N 1 0 496.691 3.952 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313951525 1071642393 /nfs/dbraw/zinc/64/23/93/1071642393.db2.gz JISZNRKHVFHEKN-UHFFFAOYSA-N 1 0 492.615 3.616 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC(CO)(Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951887 1071643606 /nfs/dbraw/zinc/64/36/06/1071643606.db2.gz MAMZJDGNVNIUOF-DEOSSOPVSA-N 1 0 496.744 3.671 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCCC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001313952008 1071643637 /nfs/dbraw/zinc/64/36/37/1071643637.db2.gz CLROHMJGGDFISJ-NRFANRHFSA-N 1 0 454.663 3.854 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313952105 1071644509 /nfs/dbraw/zinc/64/45/09/1071644509.db2.gz NBGZHBNCLFBZJP-AUSIDOKSSA-N 1 0 491.080 3.702 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001313953047 1071647101 /nfs/dbraw/zinc/64/71/01/1071647101.db2.gz FOXSZWKZENZOQA-WOJBJXKFSA-N 1 0 461.054 3.630 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001313953000 1071647250 /nfs/dbraw/zinc/64/72/50/1071647250.db2.gz CYGOPYPOPJMKBG-HXUWFJFHSA-N 1 0 461.054 3.631 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313953750 1071650061 /nfs/dbraw/zinc/65/00/61/1071650061.db2.gz KRASRCNWVWXCQY-LJQANCHMSA-N 1 0 492.590 3.926 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001313954045 1071650079 /nfs/dbraw/zinc/65/00/79/1071650079.db2.gz NESKZWHZBIYDOF-UHFFFAOYSA-N 1 0 490.450 3.683 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCc2ccccc2F)CC1 ZINC001313954322 1071651272 /nfs/dbraw/zinc/65/12/72/1071651272.db2.gz NYCYOZBELUTCGR-OAQYLSRUSA-N 1 0 479.648 3.740 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCSC(CC)(CC)C2)CC1 ZINC001313954740 1071652829 /nfs/dbraw/zinc/65/28/29/1071652829.db2.gz PFBLKWVCJNFEBI-OAQYLSRUSA-N 1 0 471.719 3.726 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCC3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC001313954835 1071652882 /nfs/dbraw/zinc/65/28/82/1071652882.db2.gz QCXJQXBCQKDUGF-ONTHSEAMSA-N 1 0 486.730 3.754 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCC3)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC001313954834 1071653006 /nfs/dbraw/zinc/65/30/06/1071653006.db2.gz QCXJQXBCQKDUGF-IIVSKPMISA-N 1 0 486.730 3.754 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@H](c3ccsc3)C2)CC1 ZINC001313954889 1071653742 /nfs/dbraw/zinc/65/37/42/1071653742.db2.gz WJTAAMBFJUOFQU-GGAORHGYSA-N 1 0 474.719 3.922 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3OC)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001313955649 1071656067 /nfs/dbraw/zinc/65/60/67/1071656067.db2.gz YBUORHQLZXBPAT-NHCUHLMSSA-N 1 0 472.703 3.702 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313956210 1071657397 /nfs/dbraw/zinc/65/73/97/1071657397.db2.gz XTNXRSNGPGXWQU-DHIUTWEWSA-N 1 0 461.658 3.854 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001313958012 1071662479 /nfs/dbraw/zinc/66/24/79/1071662479.db2.gz MWRJBACKXMMPGM-UHFFFAOYSA-N 1 0 498.079 3.571 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CC[C@H](C)[C@H]2C)CC1 ZINC001313956468 1071658005 /nfs/dbraw/zinc/65/80/05/1071658005.db2.gz MQUUZMQMLGMPAZ-RJGXRXQPSA-N 1 0 454.663 3.674 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccccc3F)C2)CC1 ZINC001313956810 1071658682 /nfs/dbraw/zinc/65/86/82/1071658682.db2.gz LJIPGLOVLSBWGN-QHCPKHFHSA-N 1 0 472.653 3.611 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC[C@@H](C)C2)CC1 ZINC001313957112 1071659457 /nfs/dbraw/zinc/65/94/57/1071659457.db2.gz OTBGJMHSZJEXQT-RPWUZVMVSA-N 1 0 452.691 3.963 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313957539 1071660625 /nfs/dbraw/zinc/66/06/25/1071660625.db2.gz WAMYMPDWLJBXTK-XUZZJYLKSA-N 1 0 470.662 3.753 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313957541 1071660782 /nfs/dbraw/zinc/66/07/82/1071660782.db2.gz WAMYMPDWLJBXTK-ZJSXRUAMSA-N 1 0 470.662 3.753 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313958084 1071663031 /nfs/dbraw/zinc/66/30/31/1071663031.db2.gz PFITWSFESVPCET-FQEVSTJZSA-N 1 0 451.594 3.704 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313957752 1071661365 /nfs/dbraw/zinc/66/13/65/1071661365.db2.gz ZAZANRWUVYAQRS-JOCHJYFZSA-N 1 0 479.044 3.976 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001313958240 1071663490 /nfs/dbraw/zinc/66/34/90/1071663490.db2.gz QZZYSHJIGJNMND-UHFFFAOYSA-N 1 0 475.081 3.879 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313958233 1071663494 /nfs/dbraw/zinc/66/34/94/1071663494.db2.gz QTZGZHMTQFKHSK-HXUWFJFHSA-N 1 0 460.070 3.894 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001313958320 1071663521 /nfs/dbraw/zinc/66/35/21/1071663521.db2.gz VVBXJSGAFSRDLV-LJQANCHMSA-N 1 0 485.677 3.683 20 0 JHADRO CC[NH+]1CCN(CCCn2c(N(C)Cc3nc(C(F)(F)F)cs3)nnc2C(C)(C)C)CC1 ZINC001313959354 1071666941 /nfs/dbraw/zinc/66/69/41/1071666941.db2.gz QPWYIJFDDVNTJH-UHFFFAOYSA-N 1 0 473.613 3.715 20 0 JHADRO CCN(CC1CC1)c1nnc(-c2cccc(Br)c2)n1CCC[NH+]1CCN(CC)CC1 ZINC001313959958 1071667350 /nfs/dbraw/zinc/66/73/50/1071667350.db2.gz CRCAZEWXNSKRSW-UHFFFAOYSA-N 1 0 475.479 3.972 20 0 JHADRO CCn1nc(-c2nnc(N(C)CCC(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc2c1=O ZINC001313959826 1071668079 /nfs/dbraw/zinc/66/80/79/1071668079.db2.gz AAXQFIWKVPEMDM-OAQYLSRUSA-N 1 0 495.672 3.658 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3F)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313959940 1071668160 /nfs/dbraw/zinc/66/81/60/1071668160.db2.gz CPXRSJMWGXWSIW-BGYRXZFFSA-N 1 0 478.607 3.763 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)ccc3C)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313960775 1071671071 /nfs/dbraw/zinc/67/10/71/1071671071.db2.gz MNENWRRLOYOLLJ-HSZRJFAPSA-N 1 0 484.689 3.505 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001313961822 1071673860 /nfs/dbraw/zinc/67/38/60/1071673860.db2.gz BLUANZYPVBMBCL-HDICACEKSA-N 1 0 483.686 3.593 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001313966352 1071686278 /nfs/dbraw/zinc/68/62/78/1071686278.db2.gz BSGNFVPMNNFWKR-UHFFFAOYSA-N 1 0 470.662 3.673 20 0 JHADRO CCn1nc(-c2nnc(N3CCC(OC(C)C)CC3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001313967694 1071689693 /nfs/dbraw/zinc/68/96/93/1071689693.db2.gz RWVFEWLEVQCTHG-UHFFFAOYSA-N 1 0 495.672 3.657 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001313995008 1071730854 /nfs/dbraw/zinc/73/08/54/1071730854.db2.gz UFJPIJBURJMWIA-UHFFFAOYSA-N 1 0 487.718 3.715 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313999928 1071736969 /nfs/dbraw/zinc/73/69/69/1071736969.db2.gz QMDYZSVVZZMGKN-HSZRJFAPSA-N 1 0 481.689 3.683 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001314012578 1071748209 /nfs/dbraw/zinc/74/82/09/1071748209.db2.gz KRCSVGDGTRGZJN-UNMCSNQZSA-N 1 0 476.666 3.841 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001314012925 1071749080 /nfs/dbraw/zinc/74/90/80/1071749080.db2.gz CRDFOPKFTATQBX-IBGZPJMESA-N 1 0 457.623 3.595 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001314017532 1071763180 /nfs/dbraw/zinc/76/31/80/1071763180.db2.gz HHESPYLMCGEHMC-DEOSSOPVSA-N 1 0 491.640 3.624 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001314017663 1071763622 /nfs/dbraw/zinc/76/36/22/1071763622.db2.gz VLHGRHRARSEWFS-KSEOMHKRSA-N 1 0 490.693 3.738 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001314022775 1071777024 /nfs/dbraw/zinc/77/70/24/1071777024.db2.gz QGXDMGCOOQKFAC-NRFANRHFSA-N 1 0 483.642 3.763 20 0 JHADRO CCOC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001314024026 1071780729 /nfs/dbraw/zinc/78/07/29/1071780729.db2.gz ZYAKDKUOMZTELK-PZJWPPBQSA-N 1 0 490.674 3.595 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001314024665 1071783312 /nfs/dbraw/zinc/78/33/12/1071783312.db2.gz HRRVNOHHLOBDNU-NHCUHLMSSA-N 1 0 486.636 3.655 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314029803 1071799939 /nfs/dbraw/zinc/79/99/39/1071799939.db2.gz DJJHWCHOIINHTD-RTWAWAEBSA-N 1 0 471.650 3.653 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001314030973 1071803802 /nfs/dbraw/zinc/80/38/02/1071803802.db2.gz GTLXGSNJAOTHCA-JOCHJYFZSA-N 1 0 484.645 3.791 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001314030995 1071804180 /nfs/dbraw/zinc/80/41/80/1071804180.db2.gz HAKNVIJVWKUHQG-JTHBVZDNSA-N 1 0 477.613 3.666 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C1 ZINC001314032044 1071808321 /nfs/dbraw/zinc/80/83/21/1071808321.db2.gz AHBHQUYBIYQUAR-VQTJNVASSA-N 1 0 488.608 3.758 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001314035205 1071821710 /nfs/dbraw/zinc/82/17/10/1071821710.db2.gz WBJCZQVCPXXMFM-AZUAARDMSA-N 1 0 458.607 3.683 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2CC[N@H+](C)[C@@H](C)CC)C1 ZINC001314034689 1071819336 /nfs/dbraw/zinc/81/93/36/1071819336.db2.gz SXJNPURXOIRAEV-SIKLNZKXSA-N 1 0 456.635 3.953 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2CC[N@H+](C)[C@@H](C)CC)C1 ZINC001314034691 1071819378 /nfs/dbraw/zinc/81/93/78/1071819378.db2.gz SXJNPURXOIRAEV-UGKGYDQZSA-N 1 0 456.635 3.953 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[NH+]2CCCC2)C1 ZINC001314038337 1071834523 /nfs/dbraw/zinc/83/45/23/1071834523.db2.gz XIOAPINSTUSBEI-PMACEKPBSA-N 1 0 488.608 3.758 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001314040966 1071842446 /nfs/dbraw/zinc/84/24/46/1071842446.db2.gz SXXYZZINURXUMX-SFHLNBCPSA-N 1 0 476.666 3.538 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001314041419 1071844006 /nfs/dbraw/zinc/84/40/06/1071844006.db2.gz CJXHAYKYLMFFLU-OAQYLSRUSA-N 1 0 484.645 3.755 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314042505 1071848866 /nfs/dbraw/zinc/84/88/66/1071848866.db2.gz YVGQHOVXGWRIAR-LNRXMEIDSA-N 1 0 490.693 3.644 20 0 JHADRO CCOC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001314056092 1071883972 /nfs/dbraw/zinc/88/39/72/1071883972.db2.gz VPFCUJMXIDDVIT-PMVMPFDFSA-N 1 0 471.646 3.528 20 0 JHADRO CCO[C@H](CCn1c(C2CCCC2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001314058671 1071889717 /nfs/dbraw/zinc/88/97/17/1071889717.db2.gz CBOHHWICTUYMEO-BJKOFHAPSA-N 1 0 460.711 3.992 20 0 JHADRO CCO[C@H](CCn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)C(C)C ZINC001314060691 1071896267 /nfs/dbraw/zinc/89/62/67/1071896267.db2.gz QNSGUVAXVVBCQW-IEZKXTBUSA-N 1 0 488.721 3.766 20 0 JHADRO CCO[C@H](C)c1noc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001314060702 1071896382 /nfs/dbraw/zinc/89/63/82/1071896382.db2.gz CLXDOJGPAUYLBO-MJGOQNOKSA-N 1 0 468.606 3.577 20 0 JHADRO CCO[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)c1ccccc1 ZINC001314071188 1071922026 /nfs/dbraw/zinc/92/20/26/1071922026.db2.gz UMXLEQOYOGARFR-AUSIDOKSSA-N 1 0 453.587 3.781 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001314074708 1071930287 /nfs/dbraw/zinc/93/02/87/1071930287.db2.gz MFCVKDURZLQCFV-YZIHRLCOSA-N 1 0 471.646 3.955 20 0 JHADRO CCO[C@]1(c2nnc(N(C)C/C(C)=C\c3ccccc3)n2C[C@H]2CCC[N@@H+]2CC)CCOC1 ZINC001314084672 1071952580 /nfs/dbraw/zinc/95/25/80/1071952580.db2.gz NWJZQZQAKNPMSF-LKJFTKSRSA-N 1 0 453.631 3.954 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CC[N@H+]2CC=CCC2)CCOC1 ZINC001314086937 1071958577 /nfs/dbraw/zinc/95/85/77/1071958577.db2.gz WVZGIBPPHLVEDY-HSZRJFAPSA-N 1 0 463.985 3.621 20 0 JHADRO CCO[C@]1(c2nnc(N(C)C/C(C)=C\c3ccccc3)n2CC[N@@H+]2CCC[C@H]2C)CCOC1 ZINC001314085909 1071955682 /nfs/dbraw/zinc/95/56/82/1071955682.db2.gz QYTFFMIAXVRRSJ-AIUIIOPSSA-N 1 0 453.631 3.954 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001314088470 1071963749 /nfs/dbraw/zinc/96/37/49/1071963749.db2.gz MAXHOUFIQZCNPA-SANMLTNESA-N 1 0 485.677 3.745 20 0 JHADRO CCO[C@]1(c2nnc(N(CC)C3CCCC3)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001314093156 1071970730 /nfs/dbraw/zinc/97/07/30/1071970730.db2.gz LSTRVDYUXOTGMF-HSZRJFAPSA-N 1 0 451.681 3.527 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)CCOC1 ZINC001314094622 1071973143 /nfs/dbraw/zinc/97/31/43/1071973143.db2.gz AIYCFMSVJXQJCR-LVXARBLLSA-N 1 0 471.646 3.627 20 0 JHADRO 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CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001306069272 1068504720 /nfs/dbraw/zinc/50/47/20/1068504720.db2.gz TVORGZXIONSDCP-UHFFFAOYSA-N 1 0 452.647 3.846 20 0 JHADRO CCc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CCC(=O)NC1CCCCC1 ZINC001306070043 1068505152 /nfs/dbraw/zinc/50/51/52/1068505152.db2.gz BAMUBKNKNFPXGL-UHFFFAOYSA-N 1 0 452.647 3.780 20 0 JHADRO CCc1nnc(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306090099 1068514551 /nfs/dbraw/zinc/51/45/51/1068514551.db2.gz HOGUMYKVGSCOAA-ISKFKSNPSA-N 1 0 455.647 3.680 20 0 JHADRO CCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCOc1ccccc1Cl ZINC001306092366 1068515702 /nfs/dbraw/zinc/51/57/02/1068515702.db2.gz HNEJLEJZDADOFH-FDDCHVKYSA-N 1 0 472.037 3.826 20 0 JHADRO CCc1nnc(N(CCO)Cc2ccc(Br)s2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001306102356 1068519657 /nfs/dbraw/zinc/51/96/57/1068519657.db2.gz RKJFMPVTKGDYGH-MRXNPFEDSA-N 1 0 470.481 3.928 20 0 JHADRO CCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001306108983 1068521647 /nfs/dbraw/zinc/52/16/47/1068521647.db2.gz JMBYWASUSMWQDM-NRFANRHFSA-N 1 0 471.646 3.669 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001306119181 1068527172 /nfs/dbraw/zinc/52/71/72/1068527172.db2.gz VWUCFPIGNDKGGL-QHCPKHFHSA-N 1 0 470.637 3.948 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306119997 1068528481 /nfs/dbraw/zinc/52/84/81/1068528481.db2.gz LUVAFUQCOLYFOV-FGZHOGPDSA-N 1 0 466.674 3.802 20 0 JHADRO CCc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001306128847 1068533251 /nfs/dbraw/zinc/53/32/51/1068533251.db2.gz QGPSNEQNFNGPNR-FPOVZHCZSA-N 1 0 464.580 3.826 20 0 JHADRO CCc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001306131636 1068534668 /nfs/dbraw/zinc/53/46/68/1068534668.db2.gz SMQDVLRPYMUZNZ-OAQYLSRUSA-N 1 0 452.647 3.590 20 0 JHADRO CCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001306133712 1068536315 /nfs/dbraw/zinc/53/63/15/1068536315.db2.gz HMBQXDPMYXXANA-HXUWFJFHSA-N 1 0 474.625 3.805 20 0 JHADRO CCc1nnc(N2CCC(CN(CC)C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001306133920 1068537018 /nfs/dbraw/zinc/53/70/18/1068537018.db2.gz UZJYRUJAPKMZDL-HXUWFJFHSA-N 1 0 460.667 3.798 20 0 JHADRO CCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001306140881 1068541617 /nfs/dbraw/zinc/54/16/17/1068541617.db2.gz ALJGZKMSTQOFDF-XMMPIXPASA-N 1 0 453.679 3.670 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001306141442 1068542780 /nfs/dbraw/zinc/54/27/80/1068542780.db2.gz GZYQLJQKKROYKB-SFHVURJKSA-N 1 0 456.616 3.505 20 0 JHADRO CCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCCCn1cc(Br)cn1 ZINC001306141406 1068542900 /nfs/dbraw/zinc/54/29/00/1068542900.db2.gz FZTYAVPBUMLXQA-UHFFFAOYSA-N 1 0 464.456 3.735 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001306144718 1068547422 /nfs/dbraw/zinc/54/74/22/1068547422.db2.gz SZVZCGMWUFZYCP-NRFANRHFSA-N 1 0 481.689 3.962 20 0 JHADRO CCc1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001306155212 1068553671 /nfs/dbraw/zinc/55/36/71/1068553671.db2.gz XPVGNPKRNFHTIH-XMMPIXPASA-N 1 0 461.651 3.967 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001306157265 1068555216 /nfs/dbraw/zinc/55/52/16/1068555216.db2.gz NVEIMIYYVCYDJM-NHCUHLMSSA-N 1 0 453.635 3.664 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001306158086 1068555869 /nfs/dbraw/zinc/55/58/69/1068555869.db2.gz SWRIMMWWSSKUAJ-NHCUHLMSSA-N 1 0 453.635 3.519 20 0 JHADRO CCc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001306164264 1068559041 /nfs/dbraw/zinc/55/90/41/1068559041.db2.gz GWDUGUZJWCOZQX-NHCUHLMSSA-N 1 0 462.683 3.950 20 0 JHADRO CCc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001306165320 1068560648 /nfs/dbraw/zinc/56/06/48/1068560648.db2.gz PGYXWWUEWUZGEA-GOSISDBHSA-N 1 0 480.583 3.710 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306179984 1068570812 /nfs/dbraw/zinc/57/08/12/1068570812.db2.gz KOFXDSBJHLUCRT-DNQXCXABSA-N 1 0 480.701 3.880 20 0 JHADRO CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001306186193 1068577538 /nfs/dbraw/zinc/57/75/38/1068577538.db2.gz QNEHGHLVJFTKQI-UHFFFAOYSA-N 1 0 470.637 3.731 20 0 JHADRO CCc1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001306193126 1068583617 /nfs/dbraw/zinc/58/36/17/1068583617.db2.gz DAMKRVSQEZTNRX-HXUWFJFHSA-N 1 0 458.626 3.827 20 0 JHADRO CCc1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306192735 1068583635 /nfs/dbraw/zinc/58/36/35/1068583635.db2.gz CTBBZOAOCHPKLY-DFBJGRDBSA-N 1 0 458.626 3.825 20 0 JHADRO CCc1nnc(N2CCN(c3ccc(F)c(OC)c3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001306196312 1068588250 /nfs/dbraw/zinc/58/82/50/1068588250.db2.gz CJKWEKGCEOPHAJ-HXUWFJFHSA-N 1 0 458.626 3.683 20 0 JHADRO CCc1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001306198064 1068590537 /nfs/dbraw/zinc/59/05/37/1068590537.db2.gz WGIOPQYLIQEZGP-PZJWPPBQSA-N 1 0 454.667 3.509 20 0 JHADRO CCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccc(I)cc1 ZINC001306199799 1068592390 /nfs/dbraw/zinc/59/23/90/1068592390.db2.gz GPKIYVPIVNKWFC-UHFFFAOYSA-N 1 0 465.383 3.558 20 0 JHADRO CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCOc1ccc(Cl)cc1 ZINC001306203818 1068593877 /nfs/dbraw/zinc/59/38/77/1068593877.db2.gz RNENCIDOOKPUMQ-UHFFFAOYSA-N 1 0 461.054 3.568 20 0 JHADRO CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCOc1ccccc1C ZINC001306204461 1068594282 /nfs/dbraw/zinc/59/42/82/1068594282.db2.gz ZHKHTOSAAVXGDE-UHFFFAOYSA-N 1 0 454.663 3.613 20 0 JHADRO CCc1nnc(N2CCN(Cc3ccccc3OC)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001306205538 1068596099 /nfs/dbraw/zinc/59/60/99/1068596099.db2.gz MNUDTYOJQMTIKI-FQEVSTJZSA-N 1 0 454.644 3.536 20 0 JHADRO CCc1nnc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306206178 1068597206 /nfs/dbraw/zinc/59/72/06/1068597206.db2.gz ZAGLREMZHMZXKR-NHCUHLMSSA-N 1 0 472.653 3.678 20 0 JHADRO CCc1nnc(N2CCO[C@@H](Cn3nc(C)cc3C)C2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001306223013 1068610138 /nfs/dbraw/zinc/61/01/38/1068610138.db2.gz QVNXUIDCVFXQTL-RPWUZVMVSA-N 1 0 465.646 3.642 20 0 JHADRO CCc1noc([C@H](C)N2CCN(c3nnc([C@H](C)CC)n3C[C@H](c3ccsc3)[NH+](C)C)CC2)n1 ZINC001306229276 1068614445 /nfs/dbraw/zinc/61/44/45/1068614445.db2.gz KLXVVCMNITVOQA-WSTZPKSXSA-N 1 0 486.690 3.985 20 0 JHADRO CCc1nsc(N2CCN(c3nnc(-c4ccc(C)o4)n3C[C@@H](C(CC)CC)[NH+](C)C)CC2)n1 ZINC001306239964 1068637124 /nfs/dbraw/zinc/63/71/24/1068637124.db2.gz HNLQREIXZCYICM-IBGZPJMESA-N 1 0 486.690 3.953 20 0 JHADRO CCc1nsc(N2CCN(c3nnc([C@@H](C)CC)n3C[C@H](c3ccc(F)cc3)[NH+](C)C)CC2)n1 ZINC001306240272 1068638656 /nfs/dbraw/zinc/63/86/56/1068638656.db2.gz MSFDYTBTQCHWHH-FXAWDEMLSA-N 1 0 486.665 3.974 20 0 JHADRO CCc1nsc(N2CCN(c3nnc([C@H](C)CC)n3C[C@@H](c3ccc(F)cc3)[NH+](C)C)CC2)n1 ZINC001306240274 1068638795 /nfs/dbraw/zinc/63/87/95/1068638795.db2.gz MSFDYTBTQCHWHH-XLIONFOSSA-N 1 0 486.665 3.974 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCCCCC1 ZINC001306260586 1068669997 /nfs/dbraw/zinc/66/99/97/1068669997.db2.gz NKLPDYYQLKBCAP-QHCPKHFHSA-N 1 0 482.673 3.745 20 0 JHADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306261536 1068671882 /nfs/dbraw/zinc/67/18/82/1068671882.db2.gz RDAQOLIEZVKOLU-JSXRDJHFSA-N 1 0 453.635 3.918 20 0 JHADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(OC)c2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001306262890 1068674573 /nfs/dbraw/zinc/67/45/73/1068674573.db2.gz DZRFSYNFMBWSGG-XUZZJYLKSA-N 1 0 454.663 3.996 20 0 JHADRO CC[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(OC)c2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001306262888 1068674647 /nfs/dbraw/zinc/67/46/47/1068674647.db2.gz DZRFSYNFMBWSGG-QPPBQGQZSA-N 1 0 454.663 3.996 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001306263135 1068675191 /nfs/dbraw/zinc/67/51/91/1068675191.db2.gz WFCLOKQCKJITRB-SKWRMQMOSA-N 1 0 488.702 3.659 20 0 JHADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(CN2CCCC2=O)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001306271456 1068684525 /nfs/dbraw/zinc/68/45/25/1068684525.db2.gz DOQHQNMGCOFVMS-QNWVGRARSA-N 1 0 452.647 3.936 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001306276159 1068689749 /nfs/dbraw/zinc/68/97/49/1068689749.db2.gz WPYJJSLSZYLMLJ-MQSCRBSSSA-N 1 0 454.663 3.528 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001306280491 1068696009 /nfs/dbraw/zinc/69/60/09/1068696009.db2.gz WGQQICIUPPCOJR-CBPXPLCBSA-N 1 0 490.693 3.943 20 0 JHADRO CC[C@@H]1C[C@@H](C)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001306281854 1068698428 /nfs/dbraw/zinc/69/84/28/1068698428.db2.gz GTJXBVPOZBGARS-TXTKFYIRSA-N 1 0 488.702 3.547 20 0 JHADRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(Br)cc2)n1CC[N@H+](C)CCOC ZINC001306287316 1068705395 /nfs/dbraw/zinc/70/53/95/1068705395.db2.gz OGBRHVVHRBSCHZ-QFBILLFUSA-N 1 0 450.425 3.911 20 0 JHADRO CC[C@@H]1C[C@@H](C)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CC[NH+](CC)CC1 ZINC001306303733 1068720667 /nfs/dbraw/zinc/72/06/67/1068720667.db2.gz ZQHDVGAVTQUUJE-SSGKUCQKSA-N 1 0 460.711 3.849 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001306309053 1068727412 /nfs/dbraw/zinc/72/74/12/1068727412.db2.gz AQWLPFCQQDHXLM-QZTJIDSGSA-N 1 0 456.557 3.557 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](SC)C1 ZINC001306317539 1068738306 /nfs/dbraw/zinc/73/83/06/1068738306.db2.gz KBSOLMRDEDEGJQ-VQTJNVASSA-N 1 0 471.675 3.912 20 0 JHADRO CC[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001306317817 1068739744 /nfs/dbraw/zinc/73/97/44/1068739744.db2.gz SROIAXUSMSRDDE-KCZVDYSFSA-N 1 0 471.646 3.946 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnccn1 ZINC001306317919 1068739784 /nfs/dbraw/zinc/73/97/84/1068739784.db2.gz LUVSMCZCHNWSLX-GOSISDBHSA-N 1 0 473.423 3.727 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306319357 1068744629 /nfs/dbraw/zinc/74/46/29/1068744629.db2.gz KPVGHZUZOKZCKR-VXKWHMMOSA-N 1 0 498.672 3.531 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001306319256 1068744659 /nfs/dbraw/zinc/74/46/59/1068744659.db2.gz RWNPVTKUSDHZJT-QFIPXVFZSA-N 1 0 468.646 3.770 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCO[C@@H](C)C1 ZINC001306319264 1068744678 /nfs/dbraw/zinc/74/46/78/1068744678.db2.gz RYYUOHCQHKWTBL-FPOVZHCZSA-N 1 0 487.645 3.851 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Cl)s1 ZINC001306319602 1068745971 /nfs/dbraw/zinc/74/59/71/1068745971.db2.gz VAXFAWCONQUCND-JKSUJKDBSA-N 1 0 489.111 3.504 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001306319658 1068745981 /nfs/dbraw/zinc/74/59/81/1068745981.db2.gz MGCYWWVAFHEKBJ-HXUWFJFHSA-N 1 0 474.053 3.563 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306319768 1068746514 /nfs/dbraw/zinc/74/65/14/1068746514.db2.gz WLVHCTPZSMDZAJ-OALUTQOASA-N 1 0 476.572 3.513 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1c(C)noc1C ZINC001306321019 1068750502 /nfs/dbraw/zinc/75/05/02/1068750502.db2.gz AKJVSMCNHXMSQL-LJQANCHMSA-N 1 0 485.658 3.775 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001306323025 1068755738 /nfs/dbraw/zinc/75/57/38/1068755738.db2.gz NSAAYMMYJPIKNE-WOJBJXKFSA-N 1 0 471.650 3.983 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001306323033 1068756069 /nfs/dbraw/zinc/75/60/69/1068756069.db2.gz NSDYIKYUTGVZBW-UXHICEINSA-N 1 0 479.595 3.986 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306323964 1068758533 /nfs/dbraw/zinc/75/85/33/1068758533.db2.gz NKTGKRRGVXVLEH-UEQSERJNSA-N 1 0 488.721 3.766 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001306324688 1068759819 /nfs/dbraw/zinc/75/98/19/1068759819.db2.gz UTFFBOBRFUYYKM-OAQYLSRUSA-N 1 0 482.677 3.543 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001306324757 1068760319 /nfs/dbraw/zinc/76/03/19/1068760319.db2.gz PPDXEHIMQVSJOF-ISKFKSNPSA-N 1 0 481.689 3.517 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001306324758 1068760385 /nfs/dbraw/zinc/76/03/85/1068760385.db2.gz PPDXEHIMQVSJOF-LADGPHEKSA-N 1 0 481.689 3.517 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001306324912 1068761275 /nfs/dbraw/zinc/76/12/75/1068761275.db2.gz QZDJRTLSTPTRFM-TZIWHRDSSA-N 1 0 481.563 3.910 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CC2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC001306325214 1068761831 /nfs/dbraw/zinc/76/18/31/1068761831.db2.gz SQYIRQXYCIDUDJ-QFIPXVFZSA-N 1 0 494.750 3.526 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CCCO[C@H](C)C1 ZINC001306325932 1068763147 /nfs/dbraw/zinc/76/31/47/1068763147.db2.gz WKIDODYWLVJJIR-GGAORHGYSA-N 1 0 455.647 3.952 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(N(C)Cc2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C ZINC001306325535 1068763168 /nfs/dbraw/zinc/76/31/68/1068763168.db2.gz UUVSQICIZZFBGB-FQEVSTJZSA-N 1 0 461.676 3.880 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306326551 1068764212 /nfs/dbraw/zinc/76/42/12/1068764212.db2.gz ZINHPRONOARIQV-QZTJIDSGSA-N 1 0 457.541 3.742 20 0 JHADRO CC[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CCOCC[NH+](C)C)C1 ZINC001306328528 1068767520 /nfs/dbraw/zinc/76/75/20/1068767520.db2.gz KDQAOCNDOCFBEZ-QGZVFWFLSA-N 1 0 450.425 3.912 20 0 JHADRO CC[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001306334551 1068772071 /nfs/dbraw/zinc/77/20/71/1068772071.db2.gz DHOIXJDLRHFFMZ-LADGPHEKSA-N 1 0 466.674 3.746 20 0 JHADRO CC[C@H]1CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCCN1CC[NH+](CC)CC1 ZINC001306343537 1068780141 /nfs/dbraw/zinc/78/01/41/1068780141.db2.gz VIUFDARKMRKXRS-RTWAWAEBSA-N 1 0 458.626 3.964 20 0 JHADRO CC[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001306347599 1068784776 /nfs/dbraw/zinc/78/47/76/1068784776.db2.gz QOFZYJAFLKDIPV-MJGOQNOKSA-N 1 0 479.467 3.926 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H](C)[NH+](CC)CC ZINC001306348784 1068785889 /nfs/dbraw/zinc/78/58/89/1068785889.db2.gz RNIIREIVAKGFBB-RTBURBONSA-N 1 0 451.619 3.784 20 0 JHADRO CCC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001306377278 1068809322 /nfs/dbraw/zinc/80/93/22/1068809322.db2.gz UQSLFEHHAPTBOG-LEWJYISDSA-N 1 0 476.666 3.697 20 0 JHADRO CCC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCC2)CC1 ZINC001306377262 1068809420 /nfs/dbraw/zinc/80/94/20/1068809420.db2.gz UGKZXRWUEKHRKK-NRFANRHFSA-N 1 0 476.666 3.699 20 0 JHADRO CC[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001306378469 1068810915 /nfs/dbraw/zinc/81/09/15/1068810915.db2.gz ZEOLILHWWUVENG-VSKRKVRLSA-N 1 0 490.693 3.945 20 0 JHADRO CCC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001306384095 1068817366 /nfs/dbraw/zinc/81/73/66/1068817366.db2.gz KCGLQCXGBHXOMX-OYRHEFFESA-N 1 0 490.693 3.522 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)CC[N@@H+]1CCOC ZINC001306388002 1068822817 /nfs/dbraw/zinc/82/28/17/1068822817.db2.gz HPZAPMPWYDRPHH-JWQCQUIFSA-N 1 0 498.716 3.505 20 0 JHADRO CC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)CC[N@@H+]1CCOC ZINC001306388010 1068822960 /nfs/dbraw/zinc/82/29/60/1068822960.db2.gz HPZAPMPWYDRPHH-LOSJGSFVSA-N 1 0 498.716 3.505 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(Cl)c(OC)c2)CC[N@@H+]1CCOC ZINC001306391580 1068831911 /nfs/dbraw/zinc/83/19/11/1068831911.db2.gz XQWYCPMCXKZFTE-GOSISDBHSA-N 1 0 450.027 3.833 20 0 JHADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCO1 ZINC001306393200 1068834511 /nfs/dbraw/zinc/83/45/11/1068834511.db2.gz QRMOYXQWYVYCCR-QFIPXVFZSA-N 1 0 498.672 3.652 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(C)C)CC[N@@H+]1CCOC ZINC001306395329 1068839212 /nfs/dbraw/zinc/83/92/12/1068839212.db2.gz ADNRRIGQQZFZBH-NRFANRHFSA-N 1 0 451.619 3.928 20 0 JHADRO CC[C@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2=CCCOC2)CC[N@@H+]1CCOC ZINC001306395807 1068842118 /nfs/dbraw/zinc/84/21/18/1068842118.db2.gz SODCWIVFINGYMK-UPVQGACJSA-N 1 0 483.657 3.929 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC2(C)C)CC[N@@H+]1CCOC ZINC001306397094 1068846664 /nfs/dbraw/zinc/84/66/64/1068846664.db2.gz LNTIPPZYHWURLO-AEFFLSMTSA-N 1 0 479.467 3.639 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001306399617 1068855934 /nfs/dbraw/zinc/85/59/34/1068855934.db2.gz BSPVBIHSLHJUQK-MRXNPFEDSA-N 1 0 466.399 3.946 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCS1 ZINC001306399864 1068857114 /nfs/dbraw/zinc/85/71/14/1068857114.db2.gz VRHWXKKNNNSRCN-YZUZCNPQSA-N 1 0 465.708 3.771 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2C[C@@H]2C)CC[N@@H+]1CCOC ZINC001306400825 1068859274 /nfs/dbraw/zinc/85/92/74/1068859274.db2.gz KIWLRGGIRHNIHK-OKZBNKHCSA-N 1 0 492.462 3.919 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[N@@H+]2CCCC[C@H]2CC)CCO1 ZINC001306403479 1068867289 /nfs/dbraw/zinc/86/72/89/1068867289.db2.gz RMQZCGRZEKSOHZ-NHCUHLMSSA-N 1 0 487.645 3.851 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](C)COC)CC[N@@H+]1CCOC ZINC001306403941 1068868472 /nfs/dbraw/zinc/86/84/72/1068868472.db2.gz HJVISAJCTGFYRF-FXAWDEMLSA-N 1 0 494.478 3.846 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCc2cc(F)cc(F)c2)CC[N@@H+]1CCOC ZINC001306404390 1068869486 /nfs/dbraw/zinc/86/94/86/1068869486.db2.gz JSQCAARCWXHZNC-NRFANRHFSA-N 1 0 459.541 3.914 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](C)OC)CC[N@@H+]1CCOC ZINC001306405510 1068873812 /nfs/dbraw/zinc/87/38/12/1068873812.db2.gz DORUVWPYGOFIRJ-UYAOXDASSA-N 1 0 461.676 3.857 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCC[N@@H+]2CCC[C@@H]2CO)C[C@H](C)O1 ZINC001306407398 1068881616 /nfs/dbraw/zinc/88/16/16/1068881616.db2.gz BLFKKBIXFVKRPM-CEWLAPEOSA-N 1 0 492.064 3.848 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)CCS1 ZINC001306407765 1068883853 /nfs/dbraw/zinc/88/38/53/1068883853.db2.gz DCHFXJVKFIKZEL-HXUWFJFHSA-N 1 0 450.052 3.777 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCOc2ccc(Cl)cn2)CC[N@@H+]1CCOC ZINC001306409088 1068887846 /nfs/dbraw/zinc/88/78/46/1068887846.db2.gz MHWBIJVXNVRESI-IBGZPJMESA-N 1 0 474.993 3.521 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1N1CCOCC1 ZINC001306410514 1068892077 /nfs/dbraw/zinc/89/20/77/1068892077.db2.gz DWDPDZQEWZDQMS-CQOQZXRMSA-N 1 0 454.663 3.531 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccn3C)n2CC(C)(C)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001306410950 1068893169 /nfs/dbraw/zinc/89/31/69/1068893169.db2.gz ASJKHXFTJBSRND-QFIPXVFZSA-N 1 0 468.621 3.948 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@H+](C)CCOC)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306411503 1068895060 /nfs/dbraw/zinc/89/50/60/1068895060.db2.gz UKTFDKGWBWMTEJ-WOJBJXKFSA-N 1 0 490.649 3.554 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2Cc2nccc(C(F)F)n2)CC[N@@H+]1CCOC ZINC001306412702 1068898243 /nfs/dbraw/zinc/89/82/43/1068898243.db2.gz KOKOPJCJJGYRTB-GOSISDBHSA-N 1 0 471.556 3.576 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCOc2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC001306414760 1068902642 /nfs/dbraw/zinc/90/26/42/1068902642.db2.gz MXWSMAYSLFGUEK-HXUWFJFHSA-N 1 0 473.021 3.563 20 0 JHADRO 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CCC[C@@H](C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCSCC1 ZINC001306557131 1069226133 /nfs/dbraw/zinc/22/61/33/1069226133.db2.gz BTTCLJFWHXPRPH-OAHLLOKOSA-N 1 0 455.470 3.957 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c(COc2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001306557376 1069226693 /nfs/dbraw/zinc/22/66/93/1069226693.db2.gz STERXZHGEBNCSE-FQEVSTJZSA-N 1 0 488.652 3.859 20 0 JHADRO C[C@H]1CN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001310938164 1069228047 /nfs/dbraw/zinc/22/80/47/1069228047.db2.gz PODZPRHVGJEWOT-AEFFLSMTSA-N 1 0 458.525 3.606 20 0 JHADRO C[C@@H]1C[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001310939026 1069228558 /nfs/dbraw/zinc/22/85/58/1069228558.db2.gz TVHNZVXGQXRFBJ-BPQIPLTHSA-N 1 0 458.525 3.794 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306558888 1069228729 /nfs/dbraw/zinc/22/87/29/1069228729.db2.gz IUCSHZSFTAZHNZ-IBGZPJMESA-N 1 0 457.619 3.782 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[NH+]1CCC(C)CC1 ZINC001306570776 1069238456 /nfs/dbraw/zinc/23/84/56/1069238456.db2.gz CDAYJZBQCALHPB-LJQANCHMSA-N 1 0 451.619 3.549 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001306573465 1069240618 /nfs/dbraw/zinc/24/06/18/1069240618.db2.gz ZZAMRXHOLJVQNM-KNQAVFIVSA-N 1 0 465.646 3.937 20 0 JHADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)C1 ZINC001310990041 1069242169 /nfs/dbraw/zinc/24/21/69/1069242169.db2.gz XQCSFBLCZTXQMT-IBGZPJMESA-N 1 0 459.612 3.664 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001306577742 1069243197 /nfs/dbraw/zinc/24/31/97/1069243197.db2.gz RHBJOVYBQXAEMB-UWJYYQICSA-N 1 0 468.602 3.942 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001306578792 1069243713 /nfs/dbraw/zinc/24/37/13/1069243713.db2.gz WBQBWCSCRIAORI-LEWJYISDSA-N 1 0 495.672 3.657 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001306578793 1069244023 /nfs/dbraw/zinc/24/40/23/1069244023.db2.gz WBQBWCSCRIAORI-NHCUHLMSSA-N 1 0 495.672 3.657 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001306580700 1069245562 /nfs/dbraw/zinc/24/55/62/1069245562.db2.gz LTVFABXUAMYMAY-OFNKIYASSA-N 1 0 455.647 3.802 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001306582587 1069246548 /nfs/dbraw/zinc/24/65/48/1069246548.db2.gz WQYNMESDKJKZFK-NHCUHLMSSA-N 1 0 454.667 3.809 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001306583918 1069248860 /nfs/dbraw/zinc/24/88/60/1069248860.db2.gz DOYHJNKFKRUCOU-BJESRGMDSA-N 1 0 474.694 3.915 20 0 JHADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001306587907 1069255996 /nfs/dbraw/zinc/25/59/96/1069255996.db2.gz YRYXUYAXEKJRDB-NNWRFLSQSA-N 1 0 467.662 3.654 20 0 JHADRO C[NH+]1CCN(c2ccc(CCNC(=O)Nc3nc(COc4ccccc4)cs3)cc2)CC1 ZINC001311052885 1069259083 /nfs/dbraw/zinc/25/90/83/1069259083.db2.gz KYBYKNPOHOINHT-UHFFFAOYSA-N 1 0 451.596 3.838 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1[C@H]1CCC(=O)N1 ZINC001311065660 1069263387 /nfs/dbraw/zinc/26/33/87/1069263387.db2.gz YWDOQMUITOYSTF-JOCHJYFZSA-N 1 0 455.990 3.625 20 0 JHADRO CCCC(O)(CCC)Cn1c(-c2cccnc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001306595875 1069269322 /nfs/dbraw/zinc/26/93/22/1069269322.db2.gz OVRPUYUFYUMVAM-UHFFFAOYSA-N 1 0 483.705 3.666 20 0 JHADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)s2)CC1 ZINC001311089580 1069270030 /nfs/dbraw/zinc/27/00/30/1069270030.db2.gz MLRQFIPSFGTUJZ-UHFFFAOYSA-N 1 0 456.538 3.762 20 0 JHADRO CCCC(O)(CCC)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001306596423 1069270036 /nfs/dbraw/zinc/27/00/36/1069270036.db2.gz AWUYHHGIJDFAJN-QHCPKHFHSA-N 1 0 471.646 3.900 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001311107009 1069274585 /nfs/dbraw/zinc/27/45/85/1069274585.db2.gz SBCUKSBOEBVXIV-TZRRMPRUSA-N 1 0 480.609 3.956 20 0 JHADRO CCCc1nc(C)c(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[NH+](C(C)C)CC2)o1 ZINC001306606309 1069281147 /nfs/dbraw/zinc/28/11/47/1069281147.db2.gz GBDBDAOFCXZBMW-UHFFFAOYSA-N 1 0 468.602 3.790 20 0 JHADRO CCOC(=O)[C@@H](CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)Cc1ccccc1 ZINC001311163815 1069287357 /nfs/dbraw/zinc/28/73/57/1069287357.db2.gz QHLHNYJNIHDJPJ-ZJSXRUAMSA-N 1 0 450.583 3.515 20 0 JHADRO CCCc1nc(C)c(Cn2c(COc3ccc(F)cc3)nnc2N2CC[NH+](C(C)C)CC2)o1 ZINC001306612770 1069291172 /nfs/dbraw/zinc/29/11/72/1069291172.db2.gz NZPXNJNMJSFRCE-UHFFFAOYSA-N 1 0 456.566 3.824 20 0 JHADRO COc1ccc(-c2nnc(SCC(=O)NCC[NH2+]C(C)(C)C)n2-c2ccc(C)cc2)cc1 ZINC001306613924 1069293435 /nfs/dbraw/zinc/29/34/35/1069293435.db2.gz CWZUBWUDQOBEEN-UHFFFAOYSA-N 1 0 453.612 3.848 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(SC)CC[NH+](C)CC2)CCO1 ZINC001306616289 1069297749 /nfs/dbraw/zinc/29/77/49/1069297749.db2.gz GGPPHGGURAAOEI-FQEVSTJZSA-N 1 0 489.686 3.795 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C(C)(C)O)c2)CC[N@@H+]1CCOC ZINC001306616440 1069297808 /nfs/dbraw/zinc/29/78/08/1069297808.db2.gz HGATXLYBXQGYKT-JOCHJYFZSA-N 1 0 457.663 3.788 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001306618125 1069300827 /nfs/dbraw/zinc/30/08/27/1069300827.db2.gz CPXAGVLBBLRTPM-OAQYLSRUSA-N 1 0 462.038 3.839 20 0 JHADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c2c1C ZINC001164389446 718815591 /nfs/dbraw/zinc/81/55/91/718815591.db2.gz WIQGMBAZPPRUMN-HXUWFJFHSA-N 1 0 469.577 3.651 20 0 JHADRO O=C1NCCN(C(F)(F)c2cccc(-n3cc(-c4ccccc4)c4c3ncnc4Cl)c2)C12C[NH2+]C2 ZINC001164410611 718878743 /nfs/dbraw/zinc/87/87/43/718878743.db2.gz DXNBVILYWRBMIM-UHFFFAOYSA-N 1 0 494.933 3.564 20 0 JHADRO CC(C)(C)C(=O)Nc1ccnc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1CN1CC[C@H](CO)C1 ZINC001164415077 718880956 /nfs/dbraw/zinc/88/09/56/718880956.db2.gz ZYEAWJQHBDOACR-PXNSSMCTSA-N 1 0 497.606 3.534 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164613924 719009419 /nfs/dbraw/zinc/00/94/19/719009419.db2.gz AKRNSULZMOTWOT-VGOFRKELSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3C4(CC[C@@]3(C(=O)OCC)C2)CC[NH2+]CC4)c(Cl)n1 ZINC001164618224 719010135 /nfs/dbraw/zinc/01/01/35/719010135.db2.gz REUCOTPDJBTYJH-VGOFRKELSA-N 1 0 485.959 3.606 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164620747 719010666 /nfs/dbraw/zinc/01/06/66/719010666.db2.gz ZLQJJRKQEOLLCL-LAUBAEHRSA-N 1 0 454.949 3.702 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001164615949 719010688 /nfs/dbraw/zinc/01/06/88/719010688.db2.gz KDVPYONUZXDXME-HXOBKFHXSA-N 1 0 491.970 3.886 20 0 JHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(OC)c2)c1 ZINC001164620387 719020182 /nfs/dbraw/zinc/02/01/82/719020182.db2.gz YTGOODWWAAACBS-MDASCCDHSA-N 1 0 451.901 3.685 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)CC2)CC1 ZINC001164614160 719022902 /nfs/dbraw/zinc/02/29/02/719022902.db2.gz OFVVPIYFPUOJFO-UHFFFAOYSA-N 1 0 498.071 3.932 20 0 JHADRO Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2c1C ZINC001164624575 719047535 /nfs/dbraw/zinc/04/75/35/719047535.db2.gz OHQFSILXZRNLAI-RLWLMLJZSA-N 1 0 463.651 3.724 20 0 JHADRO c1ccc([C@@H]2C[NH2+]C[C@]23CCN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164623043 719047849 /nfs/dbraw/zinc/04/78/49/719047849.db2.gz LNOADRVVQIPWHJ-IDISGSTGSA-N 1 0 475.662 3.596 20 0 JHADRO Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2c1C ZINC001164624569 719047893 /nfs/dbraw/zinc/04/78/93/719047893.db2.gz OHQFSILXZRNLAI-QFQXNSOFSA-N 1 0 463.651 3.724 20 0 JHADRO Cn1ncc2c1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C[C@@H]2COc1cccnc1 ZINC001164686168 719601128 /nfs/dbraw/zinc/60/11/28/719601128.db2.gz OEGSVCPWOVUDFQ-QGZVFWFLSA-N 1 0 486.954 3.968 20 0 JHADRO CC(C)N(C)Cc1nn(-c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164679769 719638210 /nfs/dbraw/zinc/63/82/10/719638210.db2.gz MPUDYWLEHLKHJZ-UHFFFAOYSA-N 1 0 479.698 3.838 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4ncccc43)CC2)c2ccccc21 ZINC001164681379 719660562 /nfs/dbraw/zinc/66/05/62/719660562.db2.gz NDMGCVAKPUXAOJ-SFHVURJKSA-N 1 0 479.028 3.772 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)nc4nc[nH]c43)CC2)c2ccccc21 ZINC001164680517 719666948 /nfs/dbraw/zinc/66/69/48/719666948.db2.gz GWVAEGFEFGNEAK-KRWDZBQOSA-N 1 0 467.017 3.705 20 0 JHADRO CSc1cc(C)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680708 719669492 /nfs/dbraw/zinc/66/94/92/719669492.db2.gz HDMNPXDLQHCXJF-LJQANCHMSA-N 1 0 453.656 3.600 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc(OC(C)(C)C)n3)CC2)c2ccccc21 ZINC001164686284 719669833 /nfs/dbraw/zinc/66/98/33/719669833.db2.gz WXHSVSKVCLLNAR-HXUWFJFHSA-N 1 0 465.642 3.747 20 0 JHADRO Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C)c1Cl ZINC001164680780 719672586 /nfs/dbraw/zinc/67/25/86/719672586.db2.gz HOMMBMNKSQUYBL-LJQANCHMSA-N 1 0 456.034 3.840 20 0 JHADRO CCOC(=O)c1c(C)ccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164687132 719674051 /nfs/dbraw/zinc/67/40/51/719674051.db2.gz ZPKUMEJIAXRXJM-OAQYLSRUSA-N 1 0 478.637 3.660 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc(-c4cccc(F)c4)n3)CC2)c2ccccc21 ZINC001164680723 719678169 /nfs/dbraw/zinc/67/81/69/719678169.db2.gz HEUAXVOWTPICQE-NRFANRHFSA-N 1 0 488.611 3.771 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc(-c4cccc(F)c4)n3)CC2)c2ccccc21 ZINC001164680728 719678678 /nfs/dbraw/zinc/67/86/78/719678678.db2.gz HEUAXVOWTPICQE-OAQYLSRUSA-N 1 0 488.611 3.771 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)Oc3cnc(Cl)cn3)CC2)c2ccccc21 ZINC001164687267 719682935 /nfs/dbraw/zinc/68/29/35/719682935.db2.gz RKRONKOYTDFBEH-QGZVFWFLSA-N 1 0 493.986 3.648 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3scc(-c4ccc(OC)cc4)c31)CC2 ZINC001164689892 719740204 /nfs/dbraw/zinc/74/02/04/719740204.db2.gz NVEPZQWSCUSFFG-UHFFFAOYSA-N 1 0 451.596 3.548 20 0 JHADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c12 ZINC001164692822 719812771 /nfs/dbraw/zinc/81/27/71/719812771.db2.gz SFIVTFBTMRLUNB-UHFFFAOYSA-N 1 0 460.991 3.798 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@@H](C(=O)NCCc4ccccn4)O[C@@H]3C2)nc1 ZINC001164699232 719820102 /nfs/dbraw/zinc/82/01/02/719820102.db2.gz GZPCCSICBWIUQE-ATPOPXNDSA-N 1 0 477.653 3.756 20 0 JHADRO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)no1 ZINC001164696225 719897758 /nfs/dbraw/zinc/89/77/58/719897758.db2.gz CNRLXNLWBILIFW-UHFFFAOYSA-N 1 0 453.568 3.563 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164717489 720118079 /nfs/dbraw/zinc/11/80/79/720118079.db2.gz PMUQULOCSVDLPH-QFIPXVFZSA-N 1 0 452.599 3.939 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)NC(C)(C)C)ccn1)CC2 ZINC001164710776 720129806 /nfs/dbraw/zinc/12/98/06/720129806.db2.gz CGGSFSAMPYMJEB-JOCHJYFZSA-N 1 0 451.615 3.512 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CCC2 ZINC001164814563 720233445 /nfs/dbraw/zinc/23/34/45/720233445.db2.gz YXCWGZYEDZMCOG-UHFFFAOYSA-N 1 0 450.921 3.568 20 0 JHADRO COC(=O)c1ccc(-c2ccc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nc2C)cc1 ZINC001164813240 720234021 /nfs/dbraw/zinc/23/40/21/720234021.db2.gz LQVXCFYSTSFGFD-UHFFFAOYSA-N 1 0 475.593 3.651 20 0 JHADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164813290 720235756 /nfs/dbraw/zinc/23/57/56/720235756.db2.gz MNBAVHSBGWVMSN-UHFFFAOYSA-N 1 0 497.713 3.957 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nc(Cl)c2c1 ZINC001164813429 720238314 /nfs/dbraw/zinc/23/83/14/720238314.db2.gz OCGFCPYPKGPACM-UHFFFAOYSA-N 1 0 492.958 3.644 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1OCc1ccc(F)cc1)CCC2 ZINC001164813450 720239983 /nfs/dbraw/zinc/23/99/83/720239983.db2.gz OHSHPUQTQYWAHZ-UHFFFAOYSA-N 1 0 451.546 3.607 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3ccc(Cl)nn3)ccc1F)CCC2 ZINC001164813344 720240583 /nfs/dbraw/zinc/24/05/83/720240583.db2.gz NDXKHILOIAANLB-UHFFFAOYSA-N 1 0 456.953 3.743 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)ncc2OCc2ccccc2)CC1 ZINC001164828936 720320828 /nfs/dbraw/zinc/32/08/28/720320828.db2.gz KRGUPPWHXVQDTN-LEWJYISDSA-N 1 0 470.017 3.621 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3c2ccn3Cc2ccc(F)cc2)CC1 ZINC001164827808 720323317 /nfs/dbraw/zinc/32/33/17/720323317.db2.gz ISBLVXCFTFWCEJ-ZEQRLZLVSA-N 1 0 476.600 3.530 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nc3ccccc3nc2Cl)CC1 ZINC001164830044 720326717 /nfs/dbraw/zinc/32/67/17/720326717.db2.gz OLMKVBBAZIHWCT-OALUTQOASA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3[nH]c4ccc(Cl)cc4c32)CC1 ZINC001164831328 720334639 /nfs/dbraw/zinc/33/46/39/720334639.db2.gz QWILUGPRUDAJPO-UXHICEINSA-N 1 0 452.990 3.676 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3[nH]c4ccc(Cl)cc4c32)CC1 ZINC001164831329 720334974 /nfs/dbraw/zinc/33/49/74/720334974.db2.gz QWILUGPRUDAJPO-VQTJNVASSA-N 1 0 452.990 3.676 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)CC1 ZINC001164831693 720343232 /nfs/dbraw/zinc/34/32/32/720343232.db2.gz ZOQSERDZCVLGHQ-RBUKOAKNSA-N 1 0 490.986 3.648 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccccn3)nc3sccc32)CC1 ZINC001164827938 720349559 /nfs/dbraw/zinc/34/95/59/720349559.db2.gz NDYRVYOIKYSVHV-SFTDATJTSA-N 1 0 462.623 3.665 20 0 JHADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164825862 720353875 /nfs/dbraw/zinc/35/38/75/720353875.db2.gz JTRNJOKXEPTIAE-LEWJYISDSA-N 1 0 486.016 3.842 20 0 JHADRO O=C(NCCSCc1ccco1)c1cccnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721810 720407075 /nfs/dbraw/zinc/40/70/75/720407075.db2.gz BGVYIZAXSIVAOH-GOTSBHOMSA-N 1 0 463.607 3.586 20 0 JHADRO O=S(=O)(c1ccccc1)n1c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc2c1ncnc2Cl ZINC001164734721 720424872 /nfs/dbraw/zinc/42/48/72/720424872.db2.gz TUWPSGUYPAOKCR-NHCUHLMSSA-N 1 0 495.008 3.570 20 0 JHADRO O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164728306 720499978 /nfs/dbraw/zinc/49/99/78/720499978.db2.gz PAJRPLMBGFSVOE-LEAFIULHSA-N 1 0 469.589 3.659 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3CN(Cc3ccccc3)CC4)CC[C@@H]21 ZINC001164836515 720516664 /nfs/dbraw/zinc/51/66/64/720516664.db2.gz MVVWJPFXICGHTI-DPZBCOQUSA-N 1 0 471.653 3.609 20 0 JHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4Cc5nccn5C[C@@H](C[NH+](C)C)C4)c23)C1 ZINC001164732878 720524267 /nfs/dbraw/zinc/52/42/67/720524267.db2.gz GNUJIUFKUIILQD-RTBURBONSA-N 1 0 479.698 3.806 20 0 JHADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1C ZINC001164733032 720524605 /nfs/dbraw/zinc/52/46/05/720524605.db2.gz IIRHBPBATJWARH-IBGZPJMESA-N 1 0 490.633 3.772 20 0 JHADRO COc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c(Cl)nn2)c1 ZINC001164733555 720534690 /nfs/dbraw/zinc/53/46/90/720534690.db2.gz CUMUGHFANSZMPK-OAHLLOKOSA-N 1 0 462.932 3.745 20 0 JHADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1 ZINC001164736382 720544812 /nfs/dbraw/zinc/54/48/12/720544812.db2.gz XHWREPVOIDZILT-OAHLLOKOSA-N 1 0 472.964 3.758 20 0 JHADRO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2cc1OC ZINC001164840813 720550147 /nfs/dbraw/zinc/55/01/47/720550147.db2.gz UCHUYNBGBLUNCI-FUHIMQAGSA-N 1 0 471.005 3.875 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)CC[C@@H]21 ZINC001164842462 720557022 /nfs/dbraw/zinc/55/70/22/720557022.db2.gz XNAQEYDIBOJCBA-BJLQDIEVSA-N 1 0 459.038 3.838 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)CC[C@@H]21 ZINC001164842142 720557450 /nfs/dbraw/zinc/55/74/50/720557450.db2.gz WYELLTARYLTVIZ-AABGKKOBSA-N 1 0 459.038 3.838 20 0 JHADRO CCOC(=O)c1cc2c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH]c(C)c(C)c-2n1 ZINC001164841440 720560948 /nfs/dbraw/zinc/56/09/48/720560948.db2.gz VWBUEVPIUPEKKU-TXTKFYIRSA-N 1 0 464.614 3.931 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc5c(c4)OCCCO5)nn3)CC[C@@H]21 ZINC001164843510 720620811 /nfs/dbraw/zinc/62/08/11/720620811.db2.gz XNPWUAYRJRVEKF-GPXNEJASSA-N 1 0 474.609 3.879 20 0 JHADRO Clc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1Cl ZINC001164739326 720663867 /nfs/dbraw/zinc/66/38/67/720663867.db2.gz NALKTVPANNKYPO-VXGBXAGGSA-N 1 0 451.745 3.722 20 0 JHADRO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)cc-2n1 ZINC001164844831 720689030 /nfs/dbraw/zinc/68/90/30/720689030.db2.gz VHOADBORQZGANC-IBGZPJMESA-N 1 0 464.566 3.618 20 0 JHADRO c1ccc(-c2ncc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2-c2ccccc2)cc1 ZINC001164738938 720690229 /nfs/dbraw/zinc/69/02/29/720690229.db2.gz LPIRHZYDCUXANZ-XZOQPEGZSA-N 1 0 450.546 3.943 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001164841087 720699101 /nfs/dbraw/zinc/69/91/01/720699101.db2.gz HPHSCSZKLZNRCL-QGZVFWFLSA-N 1 0 469.973 3.658 20 0 JHADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737910 720710393 /nfs/dbraw/zinc/71/03/93/720710393.db2.gz HRQGASXEYMPTQT-OLZOCXBDSA-N 1 0 467.307 3.613 20 0 JHADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164840889 720715289 /nfs/dbraw/zinc/71/52/89/720715289.db2.gz RSIUBIXSAWHVCF-QFIPXVFZSA-N 1 0 486.682 3.808 20 0 JHADRO COc1ccc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1Cl ZINC001164843485 720742674 /nfs/dbraw/zinc/74/26/74/720742674.db2.gz LDPPNRMAXOBQIK-UHFFFAOYSA-N 1 0 460.916 3.646 20 0 JHADRO Clc1cccc(-c2nc3c(c(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)n2)CCCC3)c1 ZINC001164742170 720787336 /nfs/dbraw/zinc/78/73/36/720787336.db2.gz CKHGQUADRFPAAI-PMACEKPBSA-N 1 0 462.985 3.808 20 0 JHADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164743525 720790915 /nfs/dbraw/zinc/79/09/15/720790915.db2.gz GMRULSXZENHWRJ-WOJBJXKFSA-N 1 0 487.633 3.552 20 0 JHADRO Fc1ccc(-c2nc(Cl)cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1Cl ZINC001164749964 720800094 /nfs/dbraw/zinc/80/00/94/720800094.db2.gz UYELXLCFMUHLNU-CABCVRRESA-N 1 0 461.328 3.721 20 0 JHADRO Clc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164738099 720822543 /nfs/dbraw/zinc/82/25/43/720822543.db2.gz DQESYYQWCREFSS-RIFZZMRRSA-N 1 0 458.397 3.908 20 0 JHADRO Clc1cnc2cc(Cl)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2n1 ZINC001164744999 720824312 /nfs/dbraw/zinc/82/43/12/720824312.db2.gz VVHORGWBKWCDMZ-GQIGUUNPSA-N 1 0 458.397 3.908 20 0 JHADRO Clc1ccc2[nH]c3ncnc(N4CC[C@@H]5[C@H](C[C@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c3c2c1 ZINC001164739456 720843880 /nfs/dbraw/zinc/84/38/80/720843880.db2.gz AHQCRKRFRSYVLN-HGHGUNKESA-N 1 0 462.989 3.735 20 0 JHADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164745503 720851954 /nfs/dbraw/zinc/85/19/54/720851954.db2.gz DUJLRFPZCQXGSN-SFGWALBWSA-N 1 0 467.980 3.907 20 0 JHADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164745500 720852101 /nfs/dbraw/zinc/85/21/01/720852101.db2.gz DUJLRFPZCQXGSN-LRXVAGHRSA-N 1 0 467.980 3.907 20 0 JHADRO c1ncn(C[C@H]2C[C@@H]3CN(c4nccc(SCc5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164747612 720854517 /nfs/dbraw/zinc/85/45/17/720854517.db2.gz IHYGTNVISIRIDV-DNVJHFABSA-N 1 0 461.639 3.740 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Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CC[N@@H+]3C2)c1 ZINC001164896945 721517862 /nfs/dbraw/zinc/51/78/62/721517862.db2.gz CSKSYQBPKKCFRN-VWNXMTODSA-N 1 0 459.569 3.516 20 0 JHADRO O=C(c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1)N1CCCCC1 ZINC001164899756 721520822 /nfs/dbraw/zinc/52/08/22/721520822.db2.gz MINUQRPLKPBPRO-FPOVZHCZSA-N 1 0 458.965 3.842 20 0 JHADRO COc1cc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1OC ZINC001164905184 721525775 /nfs/dbraw/zinc/52/57/75/721525775.db2.gz GIJPHSQHMPHFJT-DOTOQJQBSA-N 1 0 458.921 3.781 20 0 JHADRO COc1ccc(OC)c(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)c1 ZINC001164909281 721559093 /nfs/dbraw/zinc/55/90/93/721559093.db2.gz UDLZNICQSVRDSB-GHTZIAJQSA-N 1 0 450.514 3.642 20 0 JHADRO COC(=O)c1ccc2c(c1)ncnc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907033 721586726 /nfs/dbraw/zinc/58/67/26/721586726.db2.gz QKOUHQILQJRCRK-HSZRJFAPSA-N 1 0 453.493 3.549 20 0 JHADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(-c2ccc(Cl)nc2)n1 ZINC001164801109 721587814 /nfs/dbraw/zinc/58/78/14/721587814.db2.gz DRTUGKLXLXPDLX-SXWKCWPCSA-N 1 0 450.974 3.764 20 0 JHADRO CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H]2CCCO[C@H]12 ZINC001164808892 721591573 /nfs/dbraw/zinc/59/15/73/721591573.db2.gz RGLSKFCTJDTTAL-ZRBLBEILSA-N 1 0 489.998 3.920 20 0 JHADRO Cc1cccc(CN2CCO[C@@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)CC[C@@H]3C2=O)n1 ZINC001164798767 721602440 /nfs/dbraw/zinc/60/24/40/721602440.db2.gz IEWLUPPXQPUNJA-XTEPFMGCSA-N 1 0 497.643 3.597 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@@H]3C2)nc1 ZINC001164804364 721603241 /nfs/dbraw/zinc/60/32/41/721603241.db2.gz YCIDKOLAOVFGPE-UBFVSLLYSA-N 1 0 463.626 3.586 20 0 JHADRO COc1cccc(-c2nc3ccccc3c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)n2)c1 ZINC001165012570 721746491 /nfs/dbraw/zinc/74/64/91/721746491.db2.gz KUHJWBGQVNQPSG-UHFFFAOYSA-N 1 0 459.594 3.828 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCC(=O)N(Cc4ccc(OC)cc4)[C@@H]3C2)nc1 ZINC001165027485 721796822 /nfs/dbraw/zinc/79/68/22/721796822.db2.gz VUXJTJUIJXXHMP-UBFVSLLYSA-N 1 0 464.610 3.643 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)nc1 ZINC001164913211 721799949 /nfs/dbraw/zinc/79/99/49/721799949.db2.gz BGIRKPDNFRRFJK-XNMGPUDCSA-N 1 0 465.642 3.521 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccsc4c(N4CCOCC4)n3)C[C@H]21 ZINC001165021413 721804433 /nfs/dbraw/zinc/80/44/33/721804433.db2.gz GRRBCWPGTSDEBQ-SYYKKAFVSA-N 1 0 464.639 3.660 20 0 JHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164917560 721808346 /nfs/dbraw/zinc/80/83/46/721808346.db2.gz NEKZIFAWEOTPRP-KNQAVFIVSA-N 1 0 462.928 3.868 20 0 JHADRO CC(C)CCNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165020623 721825176 /nfs/dbraw/zinc/82/51/76/721825176.db2.gz CWCNFZNCEBMQHQ-ZTCOLXNVSA-N 1 0 471.671 3.538 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)Nc4nncs4)cc3Cl)C[C@@H]21 ZINC001165019760 721825825 /nfs/dbraw/zinc/82/58/25/721825825.db2.gz BTXKRAVFRNXCKQ-MOXGXCLJSA-N 1 0 484.029 3.971 20 0 JHADRO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C(=O)OCC ZINC001165027828 721832244 /nfs/dbraw/zinc/83/22/44/721832244.db2.gz UDKOUWYKGLIKGA-BWAGFHJFSA-N 1 0 466.582 3.567 20 0 JHADRO CCC(CC)NS(=O)(=O)c1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1 ZINC001165022582 721843909 /nfs/dbraw/zinc/84/39/09/721843909.db2.gz POXWVLJEMRMSJN-UHFFFAOYSA-N 1 0 490.670 3.667 20 0 JHADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2[C@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164925354 721869009 /nfs/dbraw/zinc/86/90/09/721869009.db2.gz OALSNEXIFNRBGV-DCLXLUIPSA-N 1 0 493.458 3.632 20 0 JHADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164932556 721880040 /nfs/dbraw/zinc/88/00/40/721880040.db2.gz JBAPEYXIRBVTLD-VQTJNVASSA-N 1 0 479.650 3.592 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc1 ZINC001164948838 721980746 /nfs/dbraw/zinc/98/07/46/721980746.db2.gz MCIIZBMUUCATRF-RUZDIDTESA-N 1 0 461.654 3.990 20 0 JHADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952618 722018686 /nfs/dbraw/zinc/01/86/86/722018686.db2.gz OPRIHRCHDYCTKA-UHFFFAOYSA-N 1 0 450.370 3.848 20 0 JHADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C ZINC001164963873 722055633 /nfs/dbraw/zinc/05/56/33/722055633.db2.gz PEQBMRGDTBQITB-UHFFFAOYSA-N 1 0 458.990 3.734 20 0 JHADRO O=C(Nc1ccccc1)c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164964989 722055999 /nfs/dbraw/zinc/05/59/99/722055999.db2.gz ZUEOSHRKTVRDCN-UHFFFAOYSA-N 1 0 457.578 3.848 20 0 JHADRO CC(C)(C)c1noc(-c2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2)n1 ZINC001164961560 722058582 /nfs/dbraw/zinc/05/85/82/722058582.db2.gz LYXCESKQLPUCIM-UHFFFAOYSA-N 1 0 462.598 3.943 20 0 JHADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164965951 722062707 /nfs/dbraw/zinc/06/27/07/722062707.db2.gz MPNCUUICVANTLP-UHFFFAOYSA-N 1 0 494.999 3.885 20 0 JHADRO O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]2C1 ZINC001164972806 722086362 /nfs/dbraw/zinc/08/63/62/722086362.db2.gz MTSNQAHGJQJURC-IRXDYDNUSA-N 1 0 450.961 3.788 20 0 JHADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980426 722108444 /nfs/dbraw/zinc/10/84/44/722108444.db2.gz RDWBQRFVTGJEOT-VXKWHMMOSA-N 1 0 490.011 3.650 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975687 722111355 /nfs/dbraw/zinc/11/13/55/722111355.db2.gz KJMSKGGSXSLBIE-CTNGQTDRSA-N 1 0 479.606 3.504 20 0 JHADRO c1cn(Cc2ccccc2)c2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164974030 722123993 /nfs/dbraw/zinc/12/39/93/722123993.db2.gz IHJCXFISMAPKKL-UKILVPOCSA-N 1 0 454.578 3.602 20 0 JHADRO FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983074 722128398 /nfs/dbraw/zinc/12/83/98/722128398.db2.gz XYPDXPWYAKDTHV-PXNSSMCTSA-N 1 0 459.928 3.950 20 0 JHADRO c1cc2c(nc(-c3ccncc3)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164982703 722152142 /nfs/dbraw/zinc/15/21/42/722152142.db2.gz SEFAHLBGWCYMLE-RBBKRZOGSA-N 1 0 458.591 3.876 20 0 JHADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972597 722155553 /nfs/dbraw/zinc/15/55/53/722155553.db2.gz IOUUHNLBTNJOCJ-NVXWUHKLSA-N 1 0 459.324 3.935 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1C ZINC001164996771 722207319 /nfs/dbraw/zinc/20/73/19/722207319.db2.gz WQXOYRYAXUOUKI-HSZRJFAPSA-N 1 0 457.937 3.792 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc(OCc3ccccc3)cc1Cl)CCC2 ZINC001165002845 722255651 /nfs/dbraw/zinc/25/56/51/722255651.db2.gz UGCTVBMJEBDUAY-UHFFFAOYSA-N 1 0 455.990 3.999 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CC2)CC[N@@H+]1CCOC ZINC001306624893 1069318634 /nfs/dbraw/zinc/31/86/34/1069318634.db2.gz MVXVSCWNZLCASL-YADHBBJMSA-N 1 0 490.693 3.740 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(C)(C)O)cc2)CC[N@@H+]1CCOC ZINC001306624695 1069318813 /nfs/dbraw/zinc/31/88/13/1069318813.db2.gz LRYHSQQWHRCYGZ-DNQXCXABSA-N 1 0 485.673 3.733 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCCCCC2)CC[N@@H+]1CCOC ZINC001306624780 1069318967 /nfs/dbraw/zinc/31/89/67/1069318967.db2.gz RAXREPHETZNUHH-JOCHJYFZSA-N 1 0 470.662 3.671 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCCO2)CC[N@@H+]1CCOC ZINC001306627850 1069324885 /nfs/dbraw/zinc/32/48/85/1069324885.db2.gz VOGPXZCDBRYRMH-BJKOFHAPSA-N 1 0 455.647 3.684 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2cc(F)ccc2SC)CC[N@@H+]1CCOC ZINC001306628545 1069326306 /nfs/dbraw/zinc/32/63/06/1069326306.db2.gz GLWQRNPLJGWGRL-NQIIRXRSSA-N 1 0 477.650 3.628 20 0 JHADRO O=C(NC[C@@H](CO)Cc1ccccc1C(F)(F)F)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001311343870 1069331394 /nfs/dbraw/zinc/33/13/94/1069331394.db2.gz LOHJLGAVMHRCBE-PXNSSMCTSA-N 1 0 453.505 3.976 20 0 JHADRO CCC[C@H]1CN(c2nnc(COc3cccc(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001306631237 1069331843 /nfs/dbraw/zinc/33/18/43/1069331843.db2.gz SJEKKXAVXBWCMM-ZDXQCDESSA-N 1 0 471.646 3.670 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)[NH+]2CCCC2)cc1 ZINC001311344248 1069332121 /nfs/dbraw/zinc/33/21/21/1069332121.db2.gz HAADXFPRODYLIE-XMMPIXPASA-N 1 0 455.574 3.750 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)[NH+]2CCCC2)cc1 ZINC001311346522 1069332367 /nfs/dbraw/zinc/33/23/67/1069332367.db2.gz QCHYRVQQXASQOB-LEWJYISDSA-N 1 0 451.489 3.884 20 0 JHADRO CCC[N@H+](C)[C@H](CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC001311348174 1069334785 /nfs/dbraw/zinc/33/47/85/1069334785.db2.gz HWUQAIPKOXWXMZ-BJKOFHAPSA-N 1 0 459.034 3.923 20 0 JHADRO C[C@H]([NH2+]C1(CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CCCC1)c1ccccc1 ZINC001311347024 1069333805 /nfs/dbraw/zinc/33/38/05/1069333805.db2.gz CEDASXCMCWLJCX-WIOPSUGQSA-N 1 0 450.627 3.850 20 0 JHADRO CN1CC[NH+](CC2(C)CCN(C(=O)NCc3cccnc3Oc3cccc(F)c3)CC2)CC1 ZINC001311354034 1069339167 /nfs/dbraw/zinc/33/91/67/1069339167.db2.gz QQBFUOVDHHIVDG-UHFFFAOYSA-N 1 0 455.578 3.572 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC001311358338 1069341882 /nfs/dbraw/zinc/34/18/82/1069341882.db2.gz RJDMTIARPOZLMG-QHCPKHFHSA-N 1 0 450.627 3.752 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001306635845 1069343861 /nfs/dbraw/zinc/34/38/61/1069343861.db2.gz JPBNNGCUUZDKLC-NRFANRHFSA-N 1 0 467.662 3.798 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306636286 1069344608 /nfs/dbraw/zinc/34/46/08/1069344608.db2.gz QGXOMEGJEIUVBY-VXKWHMMOSA-N 1 0 488.721 3.958 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC001311360652 1069344711 /nfs/dbraw/zinc/34/47/11/1069344711.db2.gz USBDVJONHPIYDS-WOIUINJBSA-N 1 0 455.624 3.535 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306636285 1069344890 /nfs/dbraw/zinc/34/48/90/1069344890.db2.gz QGXOMEGJEIUVBY-FGZHOGPDSA-N 1 0 488.721 3.958 20 0 JHADRO CCCCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001306636841 1069345843 /nfs/dbraw/zinc/34/58/43/1069345843.db2.gz BXKYMYAZOOCLLO-GGAORHGYSA-N 1 0 496.704 3.768 20 0 JHADRO CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001311370810 1069348600 /nfs/dbraw/zinc/34/86/00/1069348600.db2.gz VQPLJBRASZDGPA-KURKYZTESA-N 1 0 461.912 3.860 20 0 JHADRO CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001306641175 1069351272 /nfs/dbraw/zinc/35/12/72/1069351272.db2.gz GLYWJBHBBSCCIJ-UHFFFAOYSA-N 1 0 479.467 3.785 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCO[C@@H](c4ccc(F)cc4F)C3)CC2)c1 ZINC001311379638 1069353271 /nfs/dbraw/zinc/35/32/71/1069353271.db2.gz COGVNIYMVWXHDS-XMMPIXPASA-N 1 0 458.553 3.568 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@@H](CCO)c3ccc(Cl)cc3)CC2)c1 ZINC001311380176 1069354007 /nfs/dbraw/zinc/35/40/07/1069354007.db2.gz IRHZNZHKOBIIFZ-DEOSSOPVSA-N 1 0 459.034 3.974 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001306646689 1069358286 /nfs/dbraw/zinc/35/82/86/1069358286.db2.gz MTYHLKOBHIBNKY-RTBURBONSA-N 1 0 492.462 3.681 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)NCc1cc(Cl)ccc1N1CCOCC1)Cc1ccccc1 ZINC001311391621 1069359209 /nfs/dbraw/zinc/35/92/09/1069359209.db2.gz GPHQMWLEFYZHNU-QHCPKHFHSA-N 1 0 459.034 3.929 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C)n(C)c2=O)CC[N@@H+]1CCOC ZINC001306649575 1069361208 /nfs/dbraw/zinc/36/12/08/1069361208.db2.gz VMZYOIHEQVKEST-OAQYLSRUSA-N 1 0 499.059 3.591 20 0 JHADRO CCCCCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001306650772 1069361886 /nfs/dbraw/zinc/36/18/86/1069361886.db2.gz ANMNJUUDRVJZEJ-XUZZJYLKSA-N 1 0 450.635 3.707 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1ccsc1 ZINC001311401208 1069362096 /nfs/dbraw/zinc/36/20/96/1069362096.db2.gz LRHVEOWJCCWXKF-GOSISDBHSA-N 1 0 450.992 3.770 20 0 JHADRO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001311400549 1069362133 /nfs/dbraw/zinc/36/21/33/1069362133.db2.gz RXTWXTVWCITBKW-SKPFHBQLSA-N 1 0 453.631 3.752 20 0 JHADRO O=C(NC1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1)OCc1ccccc1 ZINC001311404862 1069363745 /nfs/dbraw/zinc/36/37/45/1069363745.db2.gz KTLQMGIRMNHHCX-UHFFFAOYSA-N 1 0 450.583 3.535 20 0 JHADRO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)[NH+](C)C)cc1 ZINC001311405553 1069364721 /nfs/dbraw/zinc/36/47/21/1069364721.db2.gz QAMVBZOEGIVXDL-RPWUZVMVSA-N 1 0 452.599 3.739 20 0 JHADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC001311406904 1069365198 /nfs/dbraw/zinc/36/51/98/1069365198.db2.gz XITYJPKQTIPYPB-VQTJNVASSA-N 1 0 452.521 3.685 20 0 JHADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C)CN1CCOCC1)[NH+](C)C ZINC001311408473 1069366783 /nfs/dbraw/zinc/36/67/83/1069366783.db2.gz UHWXGQSGMLEQPI-UTKZUKDTSA-N 1 0 459.462 3.812 20 0 JHADRO CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306654904 1069367117 /nfs/dbraw/zinc/36/71/17/1069367117.db2.gz ZCAUYBDILKDEGQ-UHFFFAOYSA-N 1 0 493.622 3.517 20 0 JHADRO CC(C)[NH+](CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1)C(C)C ZINC001311420673 1069368418 /nfs/dbraw/zinc/36/84/18/1069368418.db2.gz LQDKZLKACRPZHF-RTWAWAEBSA-N 1 0 454.656 3.599 20 0 JHADRO C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OCc2cccnc2)cc1 ZINC001311422569 1069370140 /nfs/dbraw/zinc/37/01/40/1069370140.db2.gz BYXUGOAIEQTDQL-LQGLAIQGSA-N 1 0 452.599 3.789 20 0 JHADRO CCC(C)(C)OC1CN(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001311425460 1069374089 /nfs/dbraw/zinc/37/40/89/1069374089.db2.gz WEEIIOYUEXPLPS-UHFFFAOYSA-N 1 0 456.553 3.817 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001306659278 1069376148 /nfs/dbraw/zinc/37/61/48/1069376148.db2.gz HWJLDQCUXYJMMU-QHCPKHFHSA-N 1 0 488.721 3.959 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001306659837 1069377585 /nfs/dbraw/zinc/37/75/85/1069377585.db2.gz DPGYIKXXMLNKRK-UHFFFAOYSA-N 1 0 452.647 3.952 20 0 JHADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)C1 ZINC001311440234 1069381177 /nfs/dbraw/zinc/38/11/77/1069381177.db2.gz COQDJOXATMSKLD-IBGZPJMESA-N 1 0 457.537 3.863 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001306662927 1069384485 /nfs/dbraw/zinc/38/44/85/1069384485.db2.gz DOTBTJMUXXEXQG-UHFFFAOYSA-N 1 0 469.678 3.870 20 0 JHADRO CC[C@H]1CN(C(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCO1 ZINC001311453186 1069385826 /nfs/dbraw/zinc/38/58/26/1069385826.db2.gz ZHFZMQYGQOWLML-NRFANRHFSA-N 1 0 456.553 3.818 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311468978 1069392401 /nfs/dbraw/zinc/39/24/01/1069392401.db2.gz GGRWLNZURNCENP-RPWUZVMVSA-N 1 0 452.599 3.521 20 0 JHADRO CCCCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306665861 1069392809 /nfs/dbraw/zinc/39/28/09/1069392809.db2.gz RJSQDZPTVQLYMV-UHFFFAOYSA-N 1 0 456.635 3.619 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001306665946 1069393025 /nfs/dbraw/zinc/39/30/25/1069393025.db2.gz QXZBSOIAJSERCT-JTHBVZDNSA-N 1 0 474.694 3.727 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001306665943 1069393323 /nfs/dbraw/zinc/39/33/23/1069393323.db2.gz QXZBSOIAJSERCT-FYYLOGMGSA-N 1 0 474.694 3.727 20 0 JHADRO CCCCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001306674962 1069399478 /nfs/dbraw/zinc/39/94/78/1069399478.db2.gz MXOFJTDTKGFSLV-UHFFFAOYSA-N 1 0 491.725 3.657 20 0 JHADRO CCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCC(C)CC1 ZINC001306675952 1069400376 /nfs/dbraw/zinc/40/03/76/1069400376.db2.gz ZRSJHGRETLWWCA-HXUWFJFHSA-N 1 0 464.655 3.555 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OC)c2)CC1 ZINC001306678684 1069403770 /nfs/dbraw/zinc/40/37/70/1069403770.db2.gz BHARYMBVZYFARQ-UHFFFAOYSA-N 1 0 468.646 3.519 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(Cl)c(OC)c2)CC1 ZINC001306677883 1069402502 /nfs/dbraw/zinc/40/25/02/1069402502.db2.gz DJNFIOOIFJFMSM-NRFANRHFSA-N 1 0 489.064 3.888 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001306678123 1069402513 /nfs/dbraw/zinc/40/25/13/1069402513.db2.gz HTJNJOHWOLYNML-HXUWFJFHSA-N 1 0 494.610 3.568 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cnn(C)c2)CC1 ZINC001306679460 1069405154 /nfs/dbraw/zinc/40/51/54/1069405154.db2.gz JULDDCFIMLFYLP-UHFFFAOYSA-N 1 0 453.610 3.738 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(C)COCCO2)CC1 ZINC001306679495 1069405162 /nfs/dbraw/zinc/40/51/62/1069405162.db2.gz KHYBVOYSOUSQMI-SANMLTNESA-N 1 0 473.637 3.762 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(F)ccc2F)CC1 ZINC001306679887 1069405763 /nfs/dbraw/zinc/40/57/63/1069405763.db2.gz LTHURSPBRDRFGT-UHFFFAOYSA-N 1 0 474.600 3.675 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001306679695 1069405885 /nfs/dbraw/zinc/40/58/85/1069405885.db2.gz SEIWKLWHEMVASR-UHFFFAOYSA-N 1 0 485.677 3.710 20 0 JHADRO C[C@H](NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C(F)F ZINC001311496278 1069406402 /nfs/dbraw/zinc/40/64/02/1069406402.db2.gz LYFOMTIHUBDGMQ-BXKMTCNYSA-N 1 0 457.525 3.771 20 0 JHADRO Cc1cc([C@H]2CCN(C(=O)NCc3ccc(CN4CC[NH+](C)CC4)cc3)C2)c(O)cc1Cl ZINC001311496678 1069406416 /nfs/dbraw/zinc/40/64/16/1069406416.db2.gz OMXCHYVYISIYCW-NRFANRHFSA-N 1 0 457.018 3.801 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001306680793 1069408279 /nfs/dbraw/zinc/40/82/79/1069408279.db2.gz FXQQGFHLQYIZRW-OAHLLOKOSA-N 1 0 461.035 3.857 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NC[C@]3(O)CCC[C@@H](C(F)(F)F)C3)cc2)C[C@H](C)O1 ZINC001311498754 1069407803 /nfs/dbraw/zinc/40/78/03/1069407803.db2.gz WONDKCMWKXQKAL-FIBVWIARSA-N 1 0 457.537 3.579 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N3CCC([C@@](C)(O)C(F)(F)F)CC3)cc2)C[C@H](C)O1 ZINC001311498782 1069407834 /nfs/dbraw/zinc/40/78/34/1069407834.db2.gz WVJNLSYQSGGRPN-HYFFOGBASA-N 1 0 457.537 3.531 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 ZINC001306681398 1069410307 /nfs/dbraw/zinc/41/03/07/1069410307.db2.gz LNVYYTBXMLAIBR-QGZVFWFLSA-N 1 0 489.466 3.570 20 0 JHADRO C[NH+](C)CCOc1cccc(CNC(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1 ZINC001311499670 1069408944 /nfs/dbraw/zinc/40/89/44/1069408944.db2.gz CSVRCUFWRIASFY-PXDATVDWSA-N 1 0 460.619 3.606 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001306680890 1069409050 /nfs/dbraw/zinc/40/90/50/1069409050.db2.gz VNEFMOJHDINABB-UHFFFAOYSA-N 1 0 497.688 3.691 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001306681385 1069409915 /nfs/dbraw/zinc/40/99/15/1069409915.db2.gz LJSVKPAKXZAQHN-CTNGQTDRSA-N 1 0 459.038 3.972 20 0 JHADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC001311514911 1069417740 /nfs/dbraw/zinc/41/77/40/1069417740.db2.gz NJHGPXZXWCZYGT-HXUWFJFHSA-N 1 0 451.615 3.518 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001306682963 1069415238 /nfs/dbraw/zinc/41/52/38/1069415238.db2.gz RREBRYPOXNNTFD-UHFFFAOYSA-N 1 0 451.619 3.803 20 0 JHADRO C[C@H]1CN(C(C)(C)CNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C[C@H](C)O1 ZINC001311510116 1069415807 /nfs/dbraw/zinc/41/58/07/1069415807.db2.gz CQSGXOGCGARULU-PMACEKPBSA-N 1 0 453.583 3.731 20 0 JHADRO C[C@@H]1CN(C(C)(C)CNC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)C[C@H](C)O1 ZINC001311510831 1069415817 /nfs/dbraw/zinc/41/58/17/1069415817.db2.gz LHGJUIRKJQXCII-GASCZTMLSA-N 1 0 455.521 3.596 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001306684829 1069419983 /nfs/dbraw/zinc/41/99/83/1069419983.db2.gz URHVBSXNMGPYQR-OAQYLSRUSA-N 1 0 455.994 3.698 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1CC ZINC001306685578 1069421337 /nfs/dbraw/zinc/42/13/37/1069421337.db2.gz GYSHOOFJAGCCJU-PMACEKPBSA-N 1 0 464.655 3.697 20 0 JHADRO CCCC[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001306686168 1069422088 /nfs/dbraw/zinc/42/20/88/1069422088.db2.gz BAXNLUDKFJUYBP-INIZCTEOSA-N 1 0 472.581 3.780 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC001306687403 1069424022 /nfs/dbraw/zinc/42/40/22/1069424022.db2.gz GVDYKBXQQNVHTN-BILGYAHESA-N 1 0 477.694 3.703 20 0 JHADRO CN(C(=O)N[C@@H](COc1ccccc1F)c1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001311526634 1069424143 /nfs/dbraw/zinc/42/41/43/1069424143.db2.gz XUXBZIBACKCSLU-VWNXMTODSA-N 1 0 454.590 3.756 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001306688375 1069425286 /nfs/dbraw/zinc/42/52/86/1069425286.db2.gz RPZSDLMTSORQTO-JOCHJYFZSA-N 1 0 489.064 3.867 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306689710 1069427265 /nfs/dbraw/zinc/42/72/65/1069427265.db2.gz YSMDNDSWPCGXBW-HXUWFJFHSA-N 1 0 491.706 3.811 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1)CC(C)C ZINC001311535598 1069428512 /nfs/dbraw/zinc/42/85/12/1069428512.db2.gz YULGORRUSAKPNZ-MJGOQNOKSA-N 1 0 458.525 3.524 20 0 JHADRO CCCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306694602 1069431306 /nfs/dbraw/zinc/43/13/06/1069431306.db2.gz JMDCHQNTFNOFDQ-HSALFYBXSA-N 1 0 453.697 3.563 20 0 JHADRO CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001306701569 1069436763 /nfs/dbraw/zinc/43/67/63/1069436763.db2.gz SIVQEBMUJUTLIG-RXVVDRJESA-N 1 0 475.037 3.614 20 0 JHADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC001311578365 1069447005 /nfs/dbraw/zinc/44/70/05/1069447005.db2.gz XOSOAZMXEFTRTO-AREMUKBSSA-N 1 0 459.594 3.643 20 0 JHADRO CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001306708793 1069443112 /nfs/dbraw/zinc/44/31/12/1069443112.db2.gz VIINVBUEPFRHPS-JOCHJYFZSA-N 1 0 490.693 3.741 20 0 JHADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311578734 1069447605 /nfs/dbraw/zinc/44/76/05/1069447605.db2.gz SZACYRNSZNZAOJ-FQEVSTJZSA-N 1 0 454.372 3.709 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc(F)c1 ZINC001311573910 1069445047 /nfs/dbraw/zinc/44/50/47/1069445047.db2.gz UEFJFCJFGVMRLX-FXAWDEMLSA-N 1 0 454.468 3.905 20 0 JHADRO O=C(NCCCn1cc(Br)cn1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001311581719 1069448986 /nfs/dbraw/zinc/44/89/86/1069448986.db2.gz SRXLXDHXFJKJAP-GOSISDBHSA-N 1 0 454.800 3.825 20 0 JHADRO O=C(NCc1ccc(CN2CCNC2=O)cc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001311584208 1069450615 /nfs/dbraw/zinc/45/06/15/1069450615.db2.gz WKDUITQORISGNJ-JOCHJYFZSA-N 1 0 455.990 3.502 20 0 JHADRO O=C(N[C@H](C1CCOCC1)C1(CO)CCC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001311587454 1069451743 /nfs/dbraw/zinc/45/17/43/1069451743.db2.gz CIEFRACJKFUGIP-JOCHJYFZSA-N 1 0 450.023 3.561 20 0 JHADRO CSc1ccc([C@@H](CNC(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)[NH+](C)C)cc1 ZINC001311595645 1069456806 /nfs/dbraw/zinc/45/68/06/1069456806.db2.gz XGMXYIXLNUMGEH-DNQXCXABSA-N 1 0 456.656 3.692 20 0 JHADRO Cc1ccc([C@H](CN2CCOCC2)NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001311595946 1069457473 /nfs/dbraw/zinc/45/74/73/1069457473.db2.gz YWVHZMOGQJUMDU-OZXSUGGESA-N 1 0 450.627 3.674 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(OC)C1 ZINC001306721601 1069458479 /nfs/dbraw/zinc/45/84/79/1069458479.db2.gz CKDDNDMIPAWALY-KRWDZBQOSA-N 1 0 465.440 3.915 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)CC1 ZINC001306722254 1069459598 /nfs/dbraw/zinc/45/95/98/1069459598.db2.gz JKSJIYVBKBRICX-TZIWHRDSSA-N 1 0 477.650 3.781 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)CC1 ZINC001306721296 1069457428 /nfs/dbraw/zinc/45/74/28/1069457428.db2.gz WHSAGMFXAHYMDN-NRFANRHFSA-N 1 0 485.652 3.537 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001306723245 1069462823 /nfs/dbraw/zinc/46/28/23/1069462823.db2.gz PPURKDMMILTIDG-RTWAWAEBSA-N 1 0 455.651 3.669 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001306723551 1069463470 /nfs/dbraw/zinc/46/34/70/1069463470.db2.gz UDVZZJWSSBNCKG-CEXWTWQISA-N 1 0 454.610 3.798 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001306723563 1069464112 /nfs/dbraw/zinc/46/41/12/1069464112.db2.gz UHOVQETYYDNKDW-KBMIEXCESA-N 1 0 489.064 3.963 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001306725030 1069466382 /nfs/dbraw/zinc/46/63/82/1069466382.db2.gz BFFPVIXTHRPCAL-PCCBWWKXSA-N 1 0 465.708 3.707 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001306724486 1069465289 /nfs/dbraw/zinc/46/52/89/1069465289.db2.gz YCECQSBTGSLALZ-UTAZYMRLSA-N 1 0 486.636 3.914 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001306724578 1069465934 /nfs/dbraw/zinc/46/59/34/1069465934.db2.gz ZRNUZJSNQUUNJQ-WOJBJXKFSA-N 1 0 460.026 3.569 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001306727101 1069471169 /nfs/dbraw/zinc/47/11/69/1069471169.db2.gz AAECFNOWKYTQNE-XPWALMASSA-N 1 0 481.689 3.983 20 0 JHADRO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC001311626127 1069475454 /nfs/dbraw/zinc/47/54/54/1069475454.db2.gz MUHRSUBXORFFJR-YMVVMYQSSA-N 1 0 453.627 3.977 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001306729911 1069480112 /nfs/dbraw/zinc/48/01/12/1069480112.db2.gz ZKTHFNQTVHKDKY-HSZRJFAPSA-N 1 0 482.673 3.799 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)NC)CC1 ZINC001306730644 1069482489 /nfs/dbraw/zinc/48/24/89/1069482489.db2.gz OJAVAUWRAPWYFL-QHCPKHFHSA-N 1 0 482.673 3.783 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001306730885 1069483528 /nfs/dbraw/zinc/48/35/28/1069483528.db2.gz ICPLRESPFYNLQW-RTWAWAEBSA-N 1 0 482.677 3.521 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001306730998 1069484101 /nfs/dbraw/zinc/48/41/01/1069484101.db2.gz LGPCSLKJCZSCTO-YPAWHYETSA-N 1 0 474.694 3.568 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001306731366 1069485484 /nfs/dbraw/zinc/48/54/84/1069485484.db2.gz JCBVHFHYMHZFMU-YPCDYVTLSA-N 1 0 499.729 3.607 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001306731569 1069486346 /nfs/dbraw/zinc/48/63/46/1069486346.db2.gz QRYFUFRDHDAMKI-CIAFKFPVSA-N 1 0 476.710 3.670 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCSC[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306732144 1069488094 /nfs/dbraw/zinc/48/80/94/1069488094.db2.gz VENXWIFRNPVOGP-IMSXRSKXSA-N 1 0 465.708 3.915 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC001306732109 1069488130 /nfs/dbraw/zinc/48/81/30/1069488130.db2.gz UZPGIAKBSADNLT-ZLNRFVROSA-N 1 0 457.667 3.798 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001306732014 1069488163 /nfs/dbraw/zinc/48/81/63/1069488163.db2.gz KUWRSUKRKYPARE-HXAGEGRHSA-N 1 0 484.714 3.904 20 0 JHADRO O=C(NCC1(c2ccc(Br)cc2)CCC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001311653451 1069490109 /nfs/dbraw/zinc/49/01/09/1069490109.db2.gz XMJWRDPNCIQDLA-FQEVSTJZSA-N 1 0 450.421 3.813 20 0 JHADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001311654291 1069490137 /nfs/dbraw/zinc/49/01/37/1069490137.db2.gz IYEDPTFSYUZLHR-MFMILTCTSA-N 1 0 456.425 3.643 20 0 JHADRO CC1CC[NH+]([C@H](CNC(=O)NCc2ccnc(N3CCSCC3)c2)c2ccccc2)CC1 ZINC001311657856 1069491293 /nfs/dbraw/zinc/49/12/93/1069491293.db2.gz CTHHCWCAZNJMPY-HSZRJFAPSA-N 1 0 453.656 3.907 20 0 JHADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001311671705 1069497910 /nfs/dbraw/zinc/49/79/10/1069497910.db2.gz DQXNDVWWMQHHRH-IXDOHACOSA-N 1 0 455.430 3.827 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCC2)C1 ZINC001306735402 1069499966 /nfs/dbraw/zinc/49/99/66/1069499966.db2.gz QTYUSIVZTIRZEG-GGAORHGYSA-N 1 0 452.647 3.952 20 0 JHADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001311694576 1069507376 /nfs/dbraw/zinc/50/73/76/1069507376.db2.gz NIAHVRHQSDJHFV-HYBUGGRVSA-N 1 0 457.640 3.773 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccn3C)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001306739632 1069511868 /nfs/dbraw/zinc/51/18/68/1069511868.db2.gz COKJQXIOMFMGBT-QHCPKHFHSA-N 1 0 477.657 3.526 20 0 JHADRO O=C(C[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1)NCc1ccc(F)cc1 ZINC001311712847 1069514512 /nfs/dbraw/zinc/51/45/12/1069514512.db2.gz JNTADHCIHSREIL-IRLDBZIGSA-N 1 0 456.562 3.684 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001306741080 1069516035 /nfs/dbraw/zinc/51/60/35/1069516035.db2.gz ZAVQDTIZGHSMBA-WOJBJXKFSA-N 1 0 456.610 3.701 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001306741416 1069517587 /nfs/dbraw/zinc/51/75/87/1069517587.db2.gz BHGFOBSYTQJTOR-PKTZIBPZSA-N 1 0 481.689 3.517 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCCCC2)C1 ZINC001306742459 1069519964 /nfs/dbraw/zinc/51/99/64/1069519964.db2.gz GOAXLLAFCCQFSS-OAQYLSRUSA-N 1 0 458.676 3.549 20 0 JHADRO COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC001311736803 1069527437 /nfs/dbraw/zinc/52/74/37/1069527437.db2.gz BJROIPODJJHGOQ-VWLOTQADSA-N 1 0 455.574 3.872 20 0 JHADRO COc1ccc([C@H]2CN(C(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)CCO2)cc1OC ZINC001311745739 1069531209 /nfs/dbraw/zinc/53/12/09/1069531209.db2.gz FAKMODMJGHBCDY-PXDATVDWSA-N 1 0 453.583 3.699 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccco1 ZINC001311751060 1069532675 /nfs/dbraw/zinc/53/26/75/1069532675.db2.gz YTIFCMZJSCOZQH-OKZBNKHCSA-N 1 0 452.596 3.722 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC2([NH+](C)C)CCCC2)cc1OC ZINC001306748325 1069537974 /nfs/dbraw/zinc/53/79/74/1069537974.db2.gz FTBXAOUSTFBYJK-FQEVSTJZSA-N 1 0 498.672 3.674 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001311760439 1069535823 /nfs/dbraw/zinc/53/58/23/1069535823.db2.gz COFSTDVUBQVWGK-OFVILXPXSA-N 1 0 454.590 3.505 20 0 JHADRO CCN(C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311761363 1069536376 /nfs/dbraw/zinc/53/63/76/1069536376.db2.gz JVQYQCQZXWZDHL-RPBOFIJWSA-N 1 0 454.590 3.505 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(O)CCC2)cc1OC ZINC001306748704 1069539298 /nfs/dbraw/zinc/53/92/98/1069539298.db2.gz KKRWAZWMDYTCBM-UHFFFAOYSA-N 1 0 471.646 3.968 20 0 JHADRO CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](C)Cc3cccc(Br)c3)CC2)CC1 ZINC001311777496 1069542422 /nfs/dbraw/zinc/54/24/22/1069542422.db2.gz KEMDWSAUNMLLLV-SFHVURJKSA-N 1 0 451.453 3.580 20 0 JHADRO CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H](C)Cc3cccc(Br)c3)CC2)CC1 ZINC001311777495 1069542459 /nfs/dbraw/zinc/54/24/59/1069542459.db2.gz KEMDWSAUNMLLLV-GOSISDBHSA-N 1 0 451.453 3.580 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCc2n[nH]c(C)n2)cc1OC ZINC001306749565 1069542893 /nfs/dbraw/zinc/54/28/93/1069542893.db2.gz WEHAXFCTJBUEDS-UHFFFAOYSA-N 1 0 496.660 3.722 20 0 JHADRO C[C@@H](CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)N1CCc2sccc2C1 ZINC001311793586 1069547675 /nfs/dbraw/zinc/54/76/75/1069547675.db2.gz HXHCOGXAKHBAKM-FQEVSTJZSA-N 1 0 456.656 3.511 20 0 JHADRO C[C@H](CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)N1CCc2sccc2C1 ZINC001311793587 1069547726 /nfs/dbraw/zinc/54/77/26/1069547726.db2.gz HXHCOGXAKHBAKM-HXUWFJFHSA-N 1 0 456.656 3.511 20 0 JHADRO CCCCOCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001306751227 1069546072 /nfs/dbraw/zinc/54/60/72/1069546072.db2.gz UPFRRVQFYOLESN-JOCHJYFZSA-N 1 0 489.064 3.548 20 0 JHADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC001311802936 1069552315 /nfs/dbraw/zinc/55/23/15/1069552315.db2.gz YDDSMRJHTYTGLB-HXUWFJFHSA-N 1 0 450.421 3.813 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001311804963 1069552771 /nfs/dbraw/zinc/55/27/71/1069552771.db2.gz MRHBHSZHKUHODH-AZUAARDMSA-N 1 0 454.537 3.537 20 0 JHADRO CCCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001306759498 1069558931 /nfs/dbraw/zinc/55/89/31/1069558931.db2.gz NYHVKMNPGFLQFW-UHFFFAOYSA-N 1 0 484.693 3.579 20 0 JHADRO CC(C)(C)OC(=O)NCCNC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001311813046 1069555711 /nfs/dbraw/zinc/55/57/11/1069555711.db2.gz HVABEFVUJPYRPM-BKMJKUGQSA-N 1 0 452.599 3.869 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NC[C@@H](C)Oc2cccc(OC)c2)CC1 ZINC001311821982 1069561093 /nfs/dbraw/zinc/56/10/93/1069561093.db2.gz GZZJVIYLXDRLHV-RTBURBONSA-N 1 0 458.578 3.804 20 0 JHADRO CCCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001306761851 1069562452 /nfs/dbraw/zinc/56/24/52/1069562452.db2.gz JZFBJLNOZPETIF-QFIPXVFZSA-N 1 0 454.619 3.638 20 0 JHADRO C[C@@H]1[C@@H](NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001311829777 1069567354 /nfs/dbraw/zinc/56/73/54/1069567354.db2.gz NLVYCOCKQWLYGL-VEXUSMLFSA-N 1 0 457.018 3.676 20 0 JHADRO CCCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306765934 1069567676 /nfs/dbraw/zinc/56/76/76/1069567676.db2.gz YYCYXWKPPSGJFZ-OALUTQOASA-N 1 0 475.707 3.841 20 0 JHADRO CCCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001306772518 1069570321 /nfs/dbraw/zinc/57/03/21/1069570321.db2.gz HYMPGYRDDXCXMY-BVAGGSTKSA-N 1 0 468.690 3.940 20 0 JHADRO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001306773731 1069571376 /nfs/dbraw/zinc/57/13/76/1069571376.db2.gz AYIQEUPJEKGNEZ-OALUTQOASA-N 1 0 478.663 3.797 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccn(C)n2)C1 ZINC001306778983 1069574295 /nfs/dbraw/zinc/57/42/95/1069574295.db2.gz CLNSCQMCEZJIEF-MOPGFXCFSA-N 1 0 455.582 3.507 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H](C)CC)n2CCn2cc(Br)cn2)C1 ZINC001306778952 1069574399 /nfs/dbraw/zinc/57/43/99/1069574399.db2.gz BREMYZVUDDCPTM-IAGOWNOFSA-N 1 0 452.445 3.619 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)OC)C1 ZINC001306778996 1069574903 /nfs/dbraw/zinc/57/49/03/1069574903.db2.gz CODSLJUXZJENTN-IAGOWNOFSA-N 1 0 450.425 3.911 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2nnc(C)s2)C1 ZINC001306780385 1069577059 /nfs/dbraw/zinc/57/70/59/1069577059.db2.gz NCUBKLDFENHGMF-HNNXBMFYSA-N 1 0 493.479 3.606 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(C)C)n2C[C@H](c2cccs2)N2CCOCC2)C1 ZINC001306780362 1069577259 /nfs/dbraw/zinc/57/72/59/1069577259.db2.gz MZKHOPKQLSXVGW-NHCUHLMSSA-N 1 0 460.692 3.705 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2noc(CC)n2)C1 ZINC001306783880 1069583047 /nfs/dbraw/zinc/58/30/47/1069583047.db2.gz JVCLEERCOCNYLK-QGZVFWFLSA-N 1 0 458.010 3.955 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCSC2)C1 ZINC001306781883 1069579881 /nfs/dbraw/zinc/57/98/81/1069579881.db2.gz VMPQCNVNIVBMBL-GAJHUEQPSA-N 1 0 481.613 3.583 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 ZINC001306781716 1069579903 /nfs/dbraw/zinc/57/99/03/1069579903.db2.gz BRFABKHXBZIOAL-QFIPXVFZSA-N 1 0 485.654 3.608 20 0 JHADRO CCOc1cc2c(cc1CNC(=O)NC[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1OCC)O[C@H](C)C2 ZINC001311854325 1069580909 /nfs/dbraw/zinc/58/09/09/1069580909.db2.gz BTANBIDAPWCBQY-GVCORALISA-N 1 0 467.610 3.745 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)Nc2c(C)cccc2C)C1 ZINC001306782569 1069581165 /nfs/dbraw/zinc/58/11/65/1069581165.db2.gz LGSPBWZFISINOM-VXKWHMMOSA-N 1 0 468.646 3.596 20 0 JHADRO COc1cc(Br)c(CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1OC ZINC001311859425 1069585016 /nfs/dbraw/zinc/58/50/16/1069585016.db2.gz VTKQFQLBCMZPBX-OAHLLOKOSA-N 1 0 450.377 3.786 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1 ZINC001306784622 1069585536 /nfs/dbraw/zinc/58/55/36/1069585536.db2.gz QOWOPSMKMWBOIN-FSSWDIPSSA-N 1 0 492.709 3.843 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCc2csc(C(C)(C)C)n2)C1 ZINC001306785283 1069586555 /nfs/dbraw/zinc/58/65/55/1069586555.db2.gz QFLLGJQXRHPKGU-SFHVURJKSA-N 1 0 468.675 3.900 20 0 JHADRO C[NH+]1CCN(C[C@H](NC(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)c2ccccc2)CC1 ZINC001311864808 1069587414 /nfs/dbraw/zinc/58/74/14/1069587414.db2.gz QIZKEFASMMLOQP-CCDWMCETSA-N 1 0 450.627 3.658 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(N(C)C)nc2)C1 ZINC001306786439 1069589242 /nfs/dbraw/zinc/58/92/42/1069589242.db2.gz VPDIXOIBUICIGG-OAQYLSRUSA-N 1 0 463.630 3.631 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCSC2)C1 ZINC001306788178 1069593535 /nfs/dbraw/zinc/59/35/35/1069593535.db2.gz HJDSKJXQXMPHTH-SQJMNOBHSA-N 1 0 473.687 3.510 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(COCC)n2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC001306788259 1069593678 /nfs/dbraw/zinc/59/36/78/1069593678.db2.gz IEIZIDAIKWZIHB-MRXNPFEDSA-N 1 0 480.444 3.986 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)C1 ZINC001306788166 1069592961 /nfs/dbraw/zinc/59/29/61/1069592961.db2.gz MAGIULQPVKSPDD-LJQANCHMSA-N 1 0 471.637 3.866 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)cc2)C1 ZINC001306788055 1069592998 /nfs/dbraw/zinc/59/29/98/1069592998.db2.gz GMKQTSGZTQCTQN-LJQANCHMSA-N 1 0 470.618 3.625 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](CC)OC)C1 ZINC001306788846 1069594080 /nfs/dbraw/zinc/59/40/80/1069594080.db2.gz MSDSRXADXSEZCL-NJYVYQBISA-N 1 0 478.682 3.943 20 0 JHADRO C[NH+](C)CCCOc1ccc(CNC(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001311881607 1069594587 /nfs/dbraw/zinc/59/45/87/1069594587.db2.gz UZIVGJIWZUNCOY-LVXARBLLSA-N 1 0 474.646 3.854 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)C(F)(F)F)C1 ZINC001306789091 1069594786 /nfs/dbraw/zinc/59/47/86/1069594786.db2.gz NRBBKFSLOVOSHQ-BZSNNMDCSA-N 1 0 461.573 3.759 20 0 JHADRO Cn1ccnc1[C@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(F)cc1F ZINC001311881937 1069594882 /nfs/dbraw/zinc/59/48/82/1069594882.db2.gz YLWSSJBTOUMVSO-JOCHJYFZSA-N 1 0 457.525 3.618 20 0 JHADRO Cn1ccnc1[C@@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(F)cc1F ZINC001311881939 1069595024 /nfs/dbraw/zinc/59/50/24/1069595024.db2.gz YLWSSJBTOUMVSO-QFIPXVFZSA-N 1 0 457.525 3.618 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001306789928 1069595489 /nfs/dbraw/zinc/59/54/89/1069595489.db2.gz SOSNGPKBIWKTDR-HXUWFJFHSA-N 1 0 476.691 3.965 20 0 JHADRO CCCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001306790636 1069596761 /nfs/dbraw/zinc/59/67/61/1069596761.db2.gz GOLOLHLYHZIYBU-LJQANCHMSA-N 1 0 450.425 3.791 20 0 JHADRO Cn1cc(Br)c(CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)n1 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CCC[N@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CC)C1 ZINC001306808442 1069624999 /nfs/dbraw/zinc/62/49/99/1069624999.db2.gz LWMQNPGJBARDFZ-PMACEKPBSA-N 1 0 464.655 3.697 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(C)o2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001306807572 1069622195 /nfs/dbraw/zinc/62/21/95/1069622195.db2.gz XIKYQVFFVXJJIU-UHFFFAOYSA-N 1 0 463.648 3.516 20 0 JHADRO CCCN(Cc1ccc(F)cc1C)c1nnc(-c2cnccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001306809094 1069627223 /nfs/dbraw/zinc/62/72/23/1069627223.db2.gz SKUGSDARYIEYEP-UHFFFAOYSA-N 1 0 480.636 3.625 20 0 JHADRO CCOc1c(OC)cc(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC001314156452 1069627808 /nfs/dbraw/zinc/62/78/08/1069627808.db2.gz GWUALUQQWJLDHM-UHFFFAOYSA-N 1 0 494.640 3.649 20 0 JHADRO CCOc1c(OC)cc(Cn2c(-c3ccc[nH]3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1OC ZINC001314158340 1069635313 /nfs/dbraw/zinc/63/53/13/1069635313.db2.gz VWZFVHHYFHRRCF-QZTJIDSGSA-N 1 0 468.602 3.656 20 0 JHADRO C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(Br)c1 ZINC001311959382 1069637402 /nfs/dbraw/zinc/63/74/02/1069637402.db2.gz MUWYIASOXNAJNG-RDTXWAMCSA-N 1 0 450.352 3.715 20 0 JHADRO CN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001311963516 1069639888 /nfs/dbraw/zinc/63/98/88/1069639888.db2.gz LBEKJXNPJXPSQB-UHFFFAOYSA-N 1 0 458.672 3.684 20 0 JHADRO CCn1cc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(=O)c2cc(Cl)ccc21 ZINC001306824945 1069645240 /nfs/dbraw/zinc/64/52/40/1069645240.db2.gz XEOZVLVEFMYKGH-FQEVSTJZSA-N 1 0 453.970 3.562 20 0 JHADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001311982942 1069649510 /nfs/dbraw/zinc/64/95/10/1069649510.db2.gz UENMERAPWLDIKE-FXAWDEMLSA-N 1 0 452.546 3.593 20 0 JHADRO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC001311982605 1069649578 /nfs/dbraw/zinc/64/95/78/1069649578.db2.gz RZKFILMOVMFEGT-FQEVSTJZSA-N 1 0 452.546 3.547 20 0 JHADRO CCOc1cc(Cn2c(-c3ccccn3)nnc2N2CC[NH+](C(C)(C)C)CC2)ccc1OC ZINC001314161110 1069646453 /nfs/dbraw/zinc/64/64/53/1069646453.db2.gz UEYFEKGINZAAKL-UHFFFAOYSA-N 1 0 450.587 3.716 20 0 JHADRO CCOc1cc(NC2CCN(c3nnc(C(C)C)n3C[C@@H]3CCCC[N@@H+]3CC)CC2)ncn1 ZINC001314161381 1069647617 /nfs/dbraw/zinc/64/76/17/1069647617.db2.gz CCKPLRDKZDWVBR-FQEVSTJZSA-N 1 0 456.639 3.546 20 0 JHADRO Cc1ccc(CNC(=O)C2CCN(C(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC001311988637 1069652174 /nfs/dbraw/zinc/65/21/74/1069652174.db2.gz JJYIPGDFAPSVJR-FQEVSTJZSA-N 1 0 454.590 3.692 20 0 JHADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)ccc21 ZINC001306845330 1069657027 /nfs/dbraw/zinc/65/70/27/1069657027.db2.gz GLOBCDRARAFHBU-CQLKWFSRSA-N 1 0 453.608 3.887 20 0 JHADRO C[C@H]([NH2+]C1(CNC(=O)N2CCC(C(=O)Nc3nncs3)CC2)CCCC1)c1ccccc1 ZINC001311996204 1069657593 /nfs/dbraw/zinc/65/75/93/1069657593.db2.gz SEBYTVHDZZDEKB-KRWDZBQOSA-N 1 0 456.616 3.562 20 0 JHADRO 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C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)N[C@H](CO)CC2CCCCC2)CC1 ZINC001312024740 1069678261 /nfs/dbraw/zinc/67/82/61/1069678261.db2.gz IRWDQRKUUFHPRT-FQEVSTJZSA-N 1 0 456.553 3.588 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)C1 ZINC001312027764 1069682915 /nfs/dbraw/zinc/68/29/15/1069682915.db2.gz WAZULZVXXBJJMI-DQEYMECFSA-N 1 0 450.627 3.977 20 0 JHADRO CC[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)Cc1cccc(Br)c1 ZINC001312030518 1069684327 /nfs/dbraw/zinc/68/43/27/1069684327.db2.gz IUVQMBQBAATHHS-ICSRJNTNSA-N 1 0 452.437 3.772 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@H](C(=O)OC)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001314171886 1069688051 /nfs/dbraw/zinc/68/80/51/1069688051.db2.gz JZTYWEMJEVEWOO-UNMCSNQZSA-N 1 0 499.656 3.862 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCn2cc(Cl)cn2)cc1OC ZINC001314172190 1069688679 /nfs/dbraw/zinc/68/86/79/1069688679.db2.gz DWQIYMPJBWABMZ-UHFFFAOYSA-N 1 0 488.036 3.823 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001307004370 1069699025 /nfs/dbraw/zinc/69/90/25/1069699025.db2.gz BQHAMJPVJVOUAJ-UHFFFAOYSA-N 1 0 455.651 3.547 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCNC(=O)CC1 ZINC001307005209 1069700201 /nfs/dbraw/zinc/70/02/01/1069700201.db2.gz POMVJTOLESNQDI-IBGZPJMESA-N 1 0 472.703 3.970 20 0 JHADRO CCCN(CCC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001307005268 1069700899 /nfs/dbraw/zinc/70/08/99/1069700899.db2.gz MCQSQLFYKKEVMW-QZTJIDSGSA-N 1 0 460.623 3.520 20 0 JHADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)[C@H]1c1cccs1 ZINC001312073671 1069706998 /nfs/dbraw/zinc/70/69/98/1069706998.db2.gz BLPNMTFCVJWSSQ-GCJKJVERSA-N 1 0 458.603 3.874 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC001314177749 1069712460 /nfs/dbraw/zinc/71/24/60/1069712460.db2.gz AIGWBXSPSLVBSQ-MBSDFSHPSA-N 1 0 457.619 3.696 20 0 JHADRO O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001312079818 1069710255 /nfs/dbraw/zinc/71/02/55/1069710255.db2.gz QLDQADZMRNDIKU-IBGZPJMESA-N 1 0 454.537 3.762 20 0 JHADRO Cc1ccc(CC[C@H](C)NC(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)o1 ZINC001312090369 1069714694 /nfs/dbraw/zinc/71/46/94/1069714694.db2.gz QHHXUDURBVBTEB-NRFANRHFSA-N 1 0 454.615 3.580 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2Cc2csc(C)c2)cc1OC ZINC001314179636 1069719610 /nfs/dbraw/zinc/71/96/10/1069719610.db2.gz PFAMGBCEFMLAIH-GOSISDBHSA-N 1 0 485.654 3.928 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001307028687 1069735271 /nfs/dbraw/zinc/73/52/71/1069735271.db2.gz AGUIBUQVRDOPDN-IBGZPJMESA-N 1 0 456.610 3.973 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001307028892 1069735807 /nfs/dbraw/zinc/73/58/07/1069735807.db2.gz CJZNUMYBIAWSOW-FPOVZHCZSA-N 1 0 462.683 3.712 20 0 JHADRO Cc1ccc([C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001312131341 1069737999 /nfs/dbraw/zinc/73/79/99/1069737999.db2.gz LFTFCSDXBRNIKJ-RDPSFJRHSA-N 1 0 455.624 3.615 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(CC)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001307030286 1069738044 /nfs/dbraw/zinc/73/80/44/1069738044.db2.gz ABVSDSLSKYOFKA-ISKFKSNPSA-N 1 0 466.674 3.980 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001307030382 1069738450 /nfs/dbraw/zinc/73/84/50/1069738450.db2.gz BXSLCVUKVWMELN-IBGZPJMESA-N 1 0 489.064 3.644 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(c3ccccc3)CC2)CC1 ZINC001307030397 1069738574 /nfs/dbraw/zinc/73/85/74/1069738574.db2.gz WRTKAOVNBMPTAK-UHFFFAOYSA-N 1 0 481.689 3.645 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCc3ccc(Cl)cc3C2)C1 ZINC001307030629 1069739390 /nfs/dbraw/zinc/73/93/90/1069739390.db2.gz APRWEMSKMQFODA-OALUTQOASA-N 1 0 462.038 3.950 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(CC)cc3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001307031250 1069740574 /nfs/dbraw/zinc/74/05/74/1069740574.db2.gz IHDDMQMAXBWGTF-QFIPXVFZSA-N 1 0 452.647 3.721 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001307032182 1069743326 /nfs/dbraw/zinc/74/33/26/1069743326.db2.gz RAGOWKNJHFAWNF-UHFFFAOYSA-N 1 0 463.001 3.528 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 ZINC001307032537 1069744400 /nfs/dbraw/zinc/74/44/00/1069744400.db2.gz DHCCFKPUMCLWJZ-IEBWSBKVSA-N 1 0 477.556 3.668 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001307032522 1069744702 /nfs/dbraw/zinc/74/47/02/1069744702.db2.gz DAAGBAGWICUWKX-UHFFFAOYSA-N 1 0 480.078 3.734 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](CC)c3ccccc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)C1 ZINC001307034802 1069751904 /nfs/dbraw/zinc/75/19/04/1069751904.db2.gz RYDGCBNAVCFEMS-UNIVCBNLSA-N 1 0 452.647 3.514 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001307033906 1069749117 /nfs/dbraw/zinc/74/91/17/1069749117.db2.gz NSJJGEYJWOCKSL-UWVAXJGDSA-N 1 0 462.436 3.647 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc[nH]3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001307035244 1069752778 /nfs/dbraw/zinc/75/27/78/1069752778.db2.gz QVUBVMTWZLSLGZ-GHTZIAJQSA-N 1 0 471.650 3.745 20 0 JHADRO C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1nc(-c2cccc(F)c2)no1 ZINC001312154298 1069753527 /nfs/dbraw/zinc/75/35/27/1069753527.db2.gz WSHRAOAYKMHMQX-LAUBAEHRSA-N 1 0 453.518 3.527 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(C)C)nnc2N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)C1 ZINC001307035664 1069754410 /nfs/dbraw/zinc/75/44/10/1069754410.db2.gz LKUBHJRAOJEEDP-HSZRJFAPSA-N 1 0 481.689 3.511 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001307036004 1069755229 /nfs/dbraw/zinc/75/52/29/1069755229.db2.gz WHFPBJBEKYSAIM-UXHICEINSA-N 1 0 459.038 3.683 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](COC)C2)C1 ZINC001307037709 1069758925 /nfs/dbraw/zinc/75/89/25/1069758925.db2.gz WNFLTRZXSXSVCZ-FCHUYYIVSA-N 1 0 468.646 3.742 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3C)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC001307037596 1069759099 /nfs/dbraw/zinc/75/90/99/1069759099.db2.gz CNFLEOJDHNNWDI-WOJBJXKFSA-N 1 0 461.676 3.633 20 0 JHADRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)CC1 ZINC001312164819 1069759983 /nfs/dbraw/zinc/75/99/83/1069759983.db2.gz FMNJQHODJSEWHA-IBGZPJMESA-N 1 0 450.027 3.853 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@H](COC)C2)C1 ZINC001307037715 1069760079 /nfs/dbraw/zinc/76/00/79/1069760079.db2.gz WNFLTRZXSXSVCZ-YADHBBJMSA-N 1 0 468.646 3.742 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)C)nnc2N2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC001307038286 1069760723 /nfs/dbraw/zinc/76/07/23/1069760723.db2.gz CNULRZDTQFCOOG-HXUWFJFHSA-N 1 0 473.065 3.824 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001307038503 1069761685 /nfs/dbraw/zinc/76/16/85/1069761685.db2.gz GHSWUMJCRUDVFY-XJUOHMSHSA-N 1 0 489.108 3.800 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)C)nnc2N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC001307039230 1069763819 /nfs/dbraw/zinc/76/38/19/1069763819.db2.gz SQPZDROZRBCQMR-FCHUYYIVSA-N 1 0 458.695 3.683 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307039846 1069765190 /nfs/dbraw/zinc/76/51/90/1069765190.db2.gz TZVHLXRPQHNIDN-CTNGQTDRSA-N 1 0 454.619 3.780 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(c4ccnn4C)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001314195036 1069767287 /nfs/dbraw/zinc/76/72/87/1069767287.db2.gz VDDOGJYEZOWXRT-WOJBJXKFSA-N 1 0 481.645 3.884 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001307040801 1069767613 /nfs/dbraw/zinc/76/76/13/1069767613.db2.gz XUBFOHCGDXBRAH-OAQYLSRUSA-N 1 0 483.661 3.956 20 0 JHADRO CCCN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC[N@H+](CCC)C1 ZINC001307041661 1069769406 /nfs/dbraw/zinc/76/94/06/1069769406.db2.gz HCNXDKWTJYXXFJ-DYESRHJHSA-N 1 0 460.573 3.656 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001307041721 1069769889 /nfs/dbraw/zinc/76/98/89/1069769889.db2.gz KBLLPPLXPFPPCZ-UHFFFAOYSA-N 1 0 470.643 3.929 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001307042527 1069771435 /nfs/dbraw/zinc/77/14/35/1069771435.db2.gz JMLVDAJMSKEFGU-LQBOVUBWSA-N 1 0 473.584 3.781 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Br)cs2)CC1 ZINC001307042114 1069771629 /nfs/dbraw/zinc/77/16/29/1069771629.db2.gz IKNLLCRLTYOBQU-SFHVURJKSA-N 1 0 495.491 3.812 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001307042520 1069772079 /nfs/dbraw/zinc/77/20/79/1069772079.db2.gz SMLFBPWXCFSCSI-JOCHJYFZSA-N 1 0 478.607 3.870 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC3CC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001307042392 1069772258 /nfs/dbraw/zinc/77/22/58/1069772258.db2.gz ZOIIXIMHAUMYPV-QFIPXVFZSA-N 1 0 457.585 3.882 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001307042656 1069772960 /nfs/dbraw/zinc/77/29/60/1069772960.db2.gz LDAYQFJKRKAOAR-RTWAWAEBSA-N 1 0 490.693 3.740 20 0 JHADRO C[C@H](CCNC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC001312190087 1069773215 /nfs/dbraw/zinc/77/32/15/1069773215.db2.gz OFSNOELRRBQOHZ-OAQYLSRUSA-N 1 0 459.034 3.957 20 0 JHADRO COC(=O)c1cnc(CC2CCN(C(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)CC2)s1 ZINC001312191813 1069773246 /nfs/dbraw/zinc/77/32/46/1069773246.db2.gz NUEFSEXHDNQAPE-SFHVURJKSA-N 1 0 458.628 3.804 20 0 JHADRO COc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001312190924 1069773308 /nfs/dbraw/zinc/77/33/08/1069773308.db2.gz RDSLVBLIGWSPCA-QHCPKHFHSA-N 1 0 458.647 3.806 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[NH+]2CCCCCC2)cc1 ZINC001314196862 1069776695 /nfs/dbraw/zinc/77/66/95/1069776695.db2.gz CNJPWHNKVXMPMP-DPLHUUCSSA-N 1 0 471.646 3.900 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001312201826 1069777530 /nfs/dbraw/zinc/77/75/30/1069777530.db2.gz CCAQEBSMRVDXHR-NHCUHLMSSA-N 1 0 457.537 3.857 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[C@H](C(=O)OC)C2)C1 ZINC001307044613 1069777831 /nfs/dbraw/zinc/77/78/31/1069777831.db2.gz GZRMXKXCNBQYMM-RTWAWAEBSA-N 1 0 483.657 3.886 20 0 JHADRO COc1ccc([C@@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c(OC)c1 ZINC001312203087 1069778304 /nfs/dbraw/zinc/77/83/04/1069778304.db2.gz BWUJQAHKDHAZPX-DEOSSOPVSA-N 1 0 453.583 3.707 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NC2CCCCC2)CC1 ZINC001307045711 1069782606 /nfs/dbraw/zinc/78/26/06/1069782606.db2.gz LGWZLWQZODPSJZ-UHFFFAOYSA-N 1 0 474.053 3.753 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCC(CC(=O)NC4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001307045930 1069783343 /nfs/dbraw/zinc/78/33/43/1069783343.db2.gz IDFKQINIVXNRCR-OAQYLSRUSA-N 1 0 458.695 3.973 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(C(=O)NC)CC2)C1 ZINC001307046028 1069783941 /nfs/dbraw/zinc/78/39/41/1069783941.db2.gz JCEXITPYRKKJMS-SFHVURJKSA-N 1 0 491.105 3.918 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)C1 ZINC001307045051 1069780208 /nfs/dbraw/zinc/78/02/08/1069780208.db2.gz CEUGYTBTMZRZEC-YADHBBJMSA-N 1 0 470.687 3.716 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCC(F)(F)F)CC1 ZINC001307044944 1069780299 /nfs/dbraw/zinc/78/02/99/1069780299.db2.gz BFUJKEQSAPCZJN-UHFFFAOYSA-N 1 0 490.933 3.727 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(C)COCCO2)CC1 ZINC001307044996 1069780381 /nfs/dbraw/zinc/78/03/81/1069780381.db2.gz CWPFDUOCUJTSHC-HSZRJFAPSA-N 1 0 466.001 3.854 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(C(=O)c4ccc(C)s4)CC3)nnc2C(C)(C)C)C1 ZINC001307046388 1069785426 /nfs/dbraw/zinc/78/54/26/1069785426.db2.gz KNFMEZVPZCLVHK-LJQANCHMSA-N 1 0 458.676 3.640 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001307046889 1069786811 /nfs/dbraw/zinc/78/68/11/1069786811.db2.gz SIVWJPHYDVVINN-HYBUGGRVSA-N 1 0 471.646 3.849 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CC[C@H](COC)C2)C1 ZINC001307047048 1069787812 /nfs/dbraw/zinc/78/78/12/1069787812.db2.gz UKSFEDHYOLYVRZ-OALUTQOASA-N 1 0 492.462 3.824 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001314200411 1069789272 /nfs/dbraw/zinc/78/92/72/1069789272.db2.gz RTKITPSXKIEJQR-MIZPHKNDSA-N 1 0 498.672 3.604 20 0 JHADRO CC[C@H](NC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001312219357 1069790477 /nfs/dbraw/zinc/79/04/77/1069790477.db2.gz VBCHLAOTASXKFV-ISJGIBHGSA-N 1 0 453.627 3.996 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001307047589 1069789605 /nfs/dbraw/zinc/78/96/05/1069789605.db2.gz VXGFMCHIPQAJSL-FXAWDEMLSA-N 1 0 498.118 3.579 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)C1 ZINC001307047439 1069789848 /nfs/dbraw/zinc/78/98/48/1069789848.db2.gz ZUWUMGAGZUDRDQ-XZOQPEGZSA-N 1 0 484.714 3.915 20 0 JHADRO COC(=O)c1cnc([C@@H]2CCN(C(=O)N[C@H]3[C@H](C)C[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)s1 ZINC001312222860 1069791237 /nfs/dbraw/zinc/79/12/37/1069791237.db2.gz SGGSBVJXIHLBIF-FKPGQJDZSA-N 1 0 456.612 3.585 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CC(C)(C)C)n2CCNC(=O)c2ccccc2F)CC1 ZINC001307047812 1069791314 /nfs/dbraw/zinc/79/13/14/1069791314.db2.gz ANCOQYAPULFQOW-UHFFFAOYSA-N 1 0 458.626 3.746 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2CCc2noc(CC)n2)CC1 ZINC001307048115 1069792827 /nfs/dbraw/zinc/79/28/27/1069792827.db2.gz NKDLZGKHNXHMMX-UHFFFAOYSA-N 1 0 455.582 3.507 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC=CO2)CC1 ZINC001307048359 1069793319 /nfs/dbraw/zinc/79/33/19/1069793319.db2.gz AQJNMDQZDHDRIW-JOCHJYFZSA-N 1 0 487.048 3.865 20 0 JHADRO O=C(NCCc1nc2cc(Cl)ccc2s1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001312226679 1069793499 /nfs/dbraw/zinc/79/34/99/1069793499.db2.gz LJDCMACWKIDHKH-HKUYNNGSSA-N 1 0 459.015 3.674 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001307048796 1069794576 /nfs/dbraw/zinc/79/45/76/1069794576.db2.gz YYTUWPIHLCJMRH-FNZWTVRRSA-N 1 0 455.647 3.739 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2C[C@@H](C)Oc2ccccc2OC)CC1 ZINC001307050223 1069799410 /nfs/dbraw/zinc/79/94/10/1069799410.db2.gz BEZLSLUFMICLNF-AUSIDOKSSA-N 1 0 457.619 3.916 20 0 JHADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC001312230197 1069795540 /nfs/dbraw/zinc/79/55/40/1069795540.db2.gz YXBVJZSRVKUHBZ-RTWAWAEBSA-N 1 0 456.537 3.670 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H](OC)C2CC2)CC1 ZINC001307049015 1069795954 /nfs/dbraw/zinc/79/59/54/1069795954.db2.gz GQPKJRDNZMEKNN-FQEVSTJZSA-N 1 0 479.467 3.782 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)CC)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC001307048995 1069796155 /nfs/dbraw/zinc/79/61/55/1069796155.db2.gz GJUWKDQOILTSAG-GOSISDBHSA-N 1 0 458.626 3.980 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccn3C)n2Cc2csc([C@H](C)OC)n2)CC1 ZINC001307049202 1069796545 /nfs/dbraw/zinc/79/65/45/1069796545.db2.gz IWFQYWIQZZMPFY-KRWDZBQOSA-N 1 0 457.648 3.806 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3Br)n2CC[S@@](=O)CC)CC1 ZINC001307049428 1069796832 /nfs/dbraw/zinc/79/68/32/1069796832.db2.gz KPBZLJJPPSKOTE-LJAQVGFWSA-N 1 0 482.492 3.787 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(SC)CC2)CC1 ZINC001307050612 1069800698 /nfs/dbraw/zinc/80/06/98/1069800698.db2.gz SHKNXUSAFHVSAI-QHCPKHFHSA-N 1 0 451.681 3.525 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCCO2)CC1 ZINC001307050649 1069801730 /nfs/dbraw/zinc/80/17/30/1069801730.db2.gz DRZOHRFFBLMDBH-NRFANRHFSA-N 1 0 457.619 3.745 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@](C)(O)CC)CC1 ZINC001307051030 1069802094 /nfs/dbraw/zinc/80/20/94/1069802094.db2.gz JMDBWIMJAYPQMY-QHCPKHFHSA-N 1 0 450.027 3.982 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001307051296 1069803469 /nfs/dbraw/zinc/80/34/69/1069803469.db2.gz ZRHIFKYLBFXNCZ-KSFYIVLOSA-N 1 0 479.467 3.897 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccccc3F)n2CCn2cc(C)cn2)CC1 ZINC001307051653 1069804764 /nfs/dbraw/zinc/80/47/64/1069804764.db2.gz RCMOTXGYYUKLBI-UHFFFAOYSA-N 1 0 455.582 3.512 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(Cl)cc3)n2CCC2(O)CCOCC2)CC1 ZINC001307051648 1069805026 /nfs/dbraw/zinc/80/50/26/1069805026.db2.gz RBGRPHMDPWBELF-UHFFFAOYSA-N 1 0 492.064 3.753 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001307051859 1069805615 /nfs/dbraw/zinc/80/56/15/1069805615.db2.gz UNVHWCNPZUSUPH-HXUWFJFHSA-N 1 0 467.536 3.731 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001307052842 1069809560 /nfs/dbraw/zinc/80/95/60/1069809560.db2.gz GLVHCLPIQHWOAQ-RUZDIDTESA-N 1 0 488.702 3.521 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)CC1 ZINC001307053242 1069810979 /nfs/dbraw/zinc/81/09/79/1069810979.db2.gz BXUTUCCLMPELQA-HNNXBMFYSA-N 1 0 486.505 3.602 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)CC1 ZINC001307053243 1069812322 /nfs/dbraw/zinc/81/23/22/1069812322.db2.gz BXUTUCCLMPELQA-OAHLLOKOSA-N 1 0 486.505 3.602 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001307053683 1069813210 /nfs/dbraw/zinc/81/32/10/1069813210.db2.gz JIJPYAZPHBFIHZ-QZTJIDSGSA-N 1 0 479.551 3.969 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001307053701 1069814063 /nfs/dbraw/zinc/81/40/63/1069814063.db2.gz JMIKQXQRCDCRFT-PKOBYXMFSA-N 1 0 474.679 3.763 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CCC1 ZINC001307054776 1069817092 /nfs/dbraw/zinc/81/70/92/1069817092.db2.gz LQLPNTLKZVSAGO-QFIPXVFZSA-N 1 0 488.702 3.696 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCn1cccn1 ZINC001307054821 1069818220 /nfs/dbraw/zinc/81/82/20/1069818220.db2.gz MZQCJJOOBMPRRG-GOSISDBHSA-N 1 0 475.439 3.633 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](COC)C1 ZINC001307055441 1069821035 /nfs/dbraw/zinc/82/10/35/1069821035.db2.gz PWCSWCIFLCISBR-HKUYNNGSSA-N 1 0 479.467 3.783 20 0 JHADRO COc1cc(CCNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(OC)c1OCc1ccccc1 ZINC001312272697 1069828292 /nfs/dbraw/zinc/82/82/92/1069828292.db2.gz IGHGINWXOGZQKP-WIYYLYMNSA-N 1 0 453.583 3.750 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001307056170 1069826632 /nfs/dbraw/zinc/82/66/32/1069826632.db2.gz PDYYNINCQULMIM-WIOPSUGQSA-N 1 0 457.619 3.508 20 0 JHADRO C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC001312274537 1069828925 /nfs/dbraw/zinc/82/89/25/1069828925.db2.gz FKAGSAVSARCANQ-CQSZACIVSA-N 1 0 450.381 3.933 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001307057105 1069831731 /nfs/dbraw/zinc/83/17/31/1069831731.db2.gz HDIUKBKUXUWERS-JOCHJYFZSA-N 1 0 456.610 3.643 20 0 JHADRO CCOc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1OC(F)F ZINC001314211525 1069835421 /nfs/dbraw/zinc/83/54/21/1069835421.db2.gz SNSNAUNYHRSGAC-GOSISDBHSA-N 1 0 479.572 3.751 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC001307057885 1069835629 /nfs/dbraw/zinc/83/56/29/1069835629.db2.gz KRQJXUMKHBTLKB-NMQZZHFISA-N 1 0 473.687 3.981 20 0 JHADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)NC1(Cc2ccccc2Br)CC1 ZINC001312284011 1069837578 /nfs/dbraw/zinc/83/75/78/1069837578.db2.gz DTQSXVUKFRRQFH-WOJBJXKFSA-N 1 0 450.421 3.591 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(-c4ccccc4F)n3CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001314213815 1069841701 /nfs/dbraw/zinc/84/17/01/1069841701.db2.gz UYMCFVVJOKUMJH-UHFFFAOYSA-N 1 0 481.620 3.792 20 0 JHADRO CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001314214222 1069842942 /nfs/dbraw/zinc/84/29/42/1069842942.db2.gz STXXXCGGJHMDNF-JTHBVZDNSA-N 1 0 454.663 3.843 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001307059178 1069843082 /nfs/dbraw/zinc/84/30/82/1069843082.db2.gz RCRYARCSEOKYDR-RPWUZVMVSA-N 1 0 482.673 3.843 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1 ZINC001307059255 1069843628 /nfs/dbraw/zinc/84/36/28/1069843628.db2.gz VECOYWRWGUIQQJ-NHCUHLMSSA-N 1 0 474.650 3.617 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001307059061 1069843773 /nfs/dbraw/zinc/84/37/73/1069843773.db2.gz SWMBFAQMCWOSLD-SFTDATJTSA-N 1 0 457.619 3.787 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001307059305 1069844598 /nfs/dbraw/zinc/84/45/98/1069844598.db2.gz RNQOKXSZPQOTBR-UXHICEINSA-N 1 0 484.611 3.780 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC001312303802 1069848590 /nfs/dbraw/zinc/84/85/90/1069848590.db2.gz MCALVOSBPHUWMA-AQNXPRMDSA-N 1 0 450.421 3.870 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC001312303803 1069848629 /nfs/dbraw/zinc/84/86/29/1069848629.db2.gz MCALVOSBPHUWMA-VAMGGRTRSA-N 1 0 450.421 3.870 20 0 JHADRO CC(=O)N1CC[C@@H](NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c2ccccc21 ZINC001312305259 1069849429 /nfs/dbraw/zinc/84/94/29/1069849429.db2.gz OXWNPODKVVCUCH-WMZHIEFXSA-N 1 0 450.583 3.684 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001307060560 1069849794 /nfs/dbraw/zinc/84/97/94/1069849794.db2.gz AKCOZPRZOYAPRD-IBGZPJMESA-N 1 0 467.584 3.623 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(C)o3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001307060676 1069851027 /nfs/dbraw/zinc/85/10/27/1069851027.db2.gz BQXAACBCYHDQHI-BGYRXZFFSA-N 1 0 456.635 3.663 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@@]1(O)CCC[C@@H]1C ZINC001314217987 1069856365 /nfs/dbraw/zinc/85/63/65/1069856365.db2.gz QZLWIGZXHVAQNT-JYEBCORGSA-N 1 0 471.646 3.726 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@]1(O)CCC[C@H]1C ZINC001314217988 1069856701 /nfs/dbraw/zinc/85/67/01/1069856701.db2.gz QZLWIGZXHVAQNT-VSCPTIONSA-N 1 0 471.646 3.726 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CC[N@H+](C)C(C)C ZINC001314218182 1069857947 /nfs/dbraw/zinc/85/79/47/1069857947.db2.gz SGIZUQMHSQAKJW-XLIONFOSSA-N 1 0 485.551 3.752 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001312316317 1069859189 /nfs/dbraw/zinc/85/91/89/1069859189.db2.gz OXSGOEOCSIORGY-LMMKCTJWSA-N 1 0 458.965 3.889 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1=O ZINC001307064265 1069865983 /nfs/dbraw/zinc/86/59/83/1069865983.db2.gz AHWLYEIEBOWICH-JIPXPUAJSA-N 1 0 484.664 3.967 20 0 JHADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001312337557 1069872173 /nfs/dbraw/zinc/87/21/73/1069872173.db2.gz SQDXJKDVOVTKBZ-QIJUGHKUSA-N 1 0 457.619 3.790 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCO[C@@H](c3noc(C(C)C)n3)C2)nnc1C(C)(C)C ZINC001307066848 1069876014 /nfs/dbraw/zinc/87/60/14/1069876014.db2.gz KTGGXKJFBSZYHR-RBUKOAKNSA-N 1 0 459.639 3.924 20 0 JHADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC001312338181 1069873162 /nfs/dbraw/zinc/87/31/62/1069873162.db2.gz YDAQVPVGJFEOJI-IBGZPJMESA-N 1 0 459.635 3.943 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1=O ZINC001307069320 1069881302 /nfs/dbraw/zinc/88/13/02/1069881302.db2.gz JUOZNIMHIUGEFD-JOCHJYFZSA-N 1 0 499.660 3.525 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Nc2ccn(C)n2)nnc1-c1cc(OC)c(OC)c(OC)c1 ZINC001307070189 1069884787 /nfs/dbraw/zinc/88/47/87/1069884787.db2.gz YTYPTJJFJFDRPK-GOSISDBHSA-N 1 0 469.590 3.713 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nnc1C(C)(C)C ZINC001307070178 1069885132 /nfs/dbraw/zinc/88/51/32/1069885132.db2.gz YNKDQARNVTYINZ-FGZHOGPDSA-N 1 0 494.750 3.671 20 0 JHADRO CC(C)N1C(=O)C[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312368881 1069891939 /nfs/dbraw/zinc/89/19/39/1069891939.db2.gz WSFGIOASWIIHJR-XJABCFGWSA-N 1 0 450.986 3.799 20 0 JHADRO CC(C)N1C(=O)C[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312363721 1069889546 /nfs/dbraw/zinc/88/95/46/1069889546.db2.gz DFCJWWRVNIWYJE-QGCDCVKKSA-N 1 0 450.986 3.657 20 0 JHADRO C[C@H]1C[N@H+](CCCNC(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CCCO1 ZINC001312371025 1069893625 /nfs/dbraw/zinc/89/36/25/1069893625.db2.gz RKYFBNXBGLHPJD-KRWDZBQOSA-N 1 0 457.446 3.758 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314226116 1069894721 /nfs/dbraw/zinc/89/47/21/1069894721.db2.gz PZEAFSXKMZPINS-GPJHCHHRSA-N 1 0 485.673 3.831 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@@H](CC)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001314227707 1069903377 /nfs/dbraw/zinc/90/33/77/1069903377.db2.gz AOZRHFJKMCPGFC-RTWAWAEBSA-N 1 0 457.619 3.603 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001314228166 1069905545 /nfs/dbraw/zinc/90/55/45/1069905545.db2.gz VSJYZOOWWPKYRA-FGZHOGPDSA-N 1 0 498.672 3.577 20 0 JHADRO Cc1ccc(C2=NO[C@@H](CNC(=O)NCCc3ccc(OCC[NH+]4CCCC4)cc3)C2)cc1 ZINC001312391955 1069905534 /nfs/dbraw/zinc/90/55/34/1069905534.db2.gz JUXFFQKZGMWRTO-XMMPIXPASA-N 1 0 450.583 3.505 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc([C@@H](C)CC)n3C[C@H](c3ccco3)[NH+](C)C)CC2)n1 ZINC001314228420 1069906813 /nfs/dbraw/zinc/90/68/13/1069906813.db2.gz AUNUVTMDMCLDIV-VQTJNVASSA-N 1 0 482.633 3.593 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCOC(C)(C)C2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001314229316 1069911305 /nfs/dbraw/zinc/91/13/05/1069911305.db2.gz SDOJMSBFGOISLW-HXUWFJFHSA-N 1 0 457.619 3.745 20 0 JHADRO C[N@@H+]1CC[C@H](CNC(=O)N2CCn3cnc(C(F)(F)F)c3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312410637 1069916312 /nfs/dbraw/zinc/91/63/12/1069916312.db2.gz CAOXCEPCYVCJMS-DYVFJYSZSA-N 1 0 459.875 3.913 20 0 JHADRO C[C@H](N1CCN(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1)C(F)(F)F ZINC001312410652 1069916472 /nfs/dbraw/zinc/91/64/72/1069916472.db2.gz CEJVLCGGFRVUMZ-JOQOYGCGSA-N 1 0 450.908 3.750 20 0 JHADRO CC(C)N(C)C(=O)C1CCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001312412265 1069918252 /nfs/dbraw/zinc/91/82/52/1069918252.db2.gz KJJUTRBBKZFRHL-RXVVDRJESA-N 1 0 453.002 3.760 20 0 JHADRO C[N@@H+]1CC[C@H](CNC(=O)N2CCn3c(cnc3C(F)(F)F)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312414014 1069919177 /nfs/dbraw/zinc/91/91/77/1069919177.db2.gz INYYVPZINPJDJK-DYVFJYSZSA-N 1 0 459.875 3.913 20 0 JHADRO COc1ccc([C@H](CNC(=O)COc2ccc(C(=O)OC(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC001307290276 1069928566 /nfs/dbraw/zinc/92/85/66/1069928566.db2.gz DWBGQAZAULYRLI-DEOSSOPVSA-N 1 0 454.567 3.983 20 0 JHADRO C[C@@H](NC(=O)NCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1)c1ccc[nH]1 ZINC001312433327 1069933547 /nfs/dbraw/zinc/93/35/47/1069933547.db2.gz QBTUTVLXOSCOGH-LJQANCHMSA-N 1 0 455.603 3.934 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 ZINC001312454427 1069947521 /nfs/dbraw/zinc/94/75/21/1069947521.db2.gz BDTNSONLDCPRPU-JUXOCIIHSA-N 1 0 455.002 3.952 20 0 JHADRO CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)C2)nc1C ZINC001312458656 1069951579 /nfs/dbraw/zinc/95/15/79/1069951579.db2.gz YRZILSLSDNTPDE-PWIZWCRZSA-N 1 0 456.612 3.648 20 0 JHADRO C[C@H](NC(=O)NC[C@H](CO)Cc1cccc(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001312482031 1069962732 /nfs/dbraw/zinc/96/27/32/1069962732.db2.gz VZGKLDHLMJXIOW-QXAKKESOSA-N 1 0 452.437 3.552 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)[NH+](C)C)C12CCC2 ZINC001314248651 1069971534 /nfs/dbraw/zinc/97/15/34/1069971534.db2.gz YULMTNWHARWJKS-BULFRSBZSA-N 1 0 457.619 3.696 20 0 JHADRO CCO[C@H]1C[C@H](N(C)c2nnc(CCc3ccccc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC001314248347 1069969992 /nfs/dbraw/zinc/96/99/92/1069969992.db2.gz DEEYCPDBFYSETQ-ZEQRLZLVSA-N 1 0 482.717 3.729 20 0 JHADRO C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001307416811 1069973922 /nfs/dbraw/zinc/97/39/22/1069973922.db2.gz RARTUNPSVRZGET-NQIIRXRSSA-N 1 0 452.624 3.939 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001307432025 1069982156 /nfs/dbraw/zinc/98/21/56/1069982156.db2.gz SQECFWYHIRANOO-MSOLQXFVSA-N 1 0 456.612 3.956 20 0 JHADRO Cc1ccc([C@H](C)[N@H+](C)CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)c(C)c1 ZINC001307426537 1069979494 /nfs/dbraw/zinc/97/94/94/1069979494.db2.gz BKMHORYMAJDAME-PKIWBCANSA-N 1 0 452.580 3.544 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC001314251766 1069981105 /nfs/dbraw/zinc/98/11/05/1069981105.db2.gz QCWSONWGTGJTKD-DNVJHFABSA-N 1 0 471.694 3.900 20 0 JHADRO CCOC(=O)c1csc(CCNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)n1 ZINC001312516172 1069984312 /nfs/dbraw/zinc/98/43/12/1069984312.db2.gz KOSZXTWLLOFLOC-FCHUYYIVSA-N 1 0 478.618 3.830 20 0 JHADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC001307441564 1069986066 /nfs/dbraw/zinc/98/60/66/1069986066.db2.gz GOQDIJYCXXZASW-AREMUKBSSA-N 1 0 453.602 3.896 20 0 JHADRO CC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC001312519499 1069986403 /nfs/dbraw/zinc/98/64/03/1069986403.db2.gz OMLRPDUXNOPNIE-GOSISDBHSA-N 1 0 452.521 3.861 20 0 JHADRO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+](C)CCCc2cc(-c3ccc(F)cc3)no2)cc1 ZINC001307445952 1069987940 /nfs/dbraw/zinc/98/79/40/1069987940.db2.gz LPMGBRKHSSOGBF-KRWDZBQOSA-N 1 0 453.514 3.837 20 0 JHADRO O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001312523836 1069989017 /nfs/dbraw/zinc/98/90/17/1069989017.db2.gz DWQXYHNVKOBSRF-GOSISDBHSA-N 1 0 452.521 3.580 20 0 JHADRO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@@H+]3CCC[C@H]3C3CCC3)C2=O)cc1 ZINC001307451471 1069992272 /nfs/dbraw/zinc/99/22/72/1069992272.db2.gz BOIWPFRPBWWPNW-RLKVQFJASA-N 1 0 457.596 3.502 20 0 JHADRO COCCOC[C@H](O)C[NH+]1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001307454193 1069994092 /nfs/dbraw/zinc/99/40/92/1069994092.db2.gz LYBMASGYWXDHNH-JOCHJYFZSA-N 1 0 453.410 3.724 20 0 JHADRO O=C(NCc1cc(Br)ccc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC001312528050 1069994014 /nfs/dbraw/zinc/99/40/14/1069994014.db2.gz MLUZCVXLDYDSFG-UHFFFAOYSA-N 1 0 454.166 3.638 20 0 JHADRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001307459141 1069997576 /nfs/dbraw/zinc/99/75/76/1069997576.db2.gz MHWOARJLLMFSKB-DEOSSOPVSA-N 1 0 454.521 3.819 20 0 JHADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001307469233 1070003241 /nfs/dbraw/zinc/00/32/41/1070003241.db2.gz HQQWXEBCTXCKTP-OAHLLOKOSA-N 1 0 451.455 3.972 20 0 JHADRO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001312550621 1070007722 /nfs/dbraw/zinc/00/77/22/1070007722.db2.gz MABKYDLRAAUPHL-HXUWFJFHSA-N 1 0 455.416 3.708 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001312550284 1070006905 /nfs/dbraw/zinc/00/69/05/1070006905.db2.gz FEIQFKOWSRPNHW-QZTJIDSGSA-N 1 0 456.896 3.877 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCCN(Cc2cscn2)CC1)c1cccc(C(F)(F)F)c1 ZINC001312552700 1070009022 /nfs/dbraw/zinc/00/90/22/1070009022.db2.gz OORZOHXXWMVKKJ-IBGZPJMESA-N 1 0 455.550 3.682 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCc2c(nnn2-c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC001312553305 1070009623 /nfs/dbraw/zinc/00/96/23/1070009623.db2.gz RYJKEVICKZEHAS-NRFANRHFSA-N 1 0 458.488 3.657 20 0 JHADRO CCOc1ccc2c(c1)[C@@H](NC(=O)NCC1([N@H+](C)Cc3ccccc3)CCOCC1)CCO2 ZINC001312553824 1070010107 /nfs/dbraw/zinc/01/01/07/1070010107.db2.gz PKVIQFCNIOCIOP-QHCPKHFHSA-N 1 0 453.583 3.889 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001314264843 1070011095 /nfs/dbraw/zinc/01/10/95/1070011095.db2.gz FGBYFNNQLLQEOR-XZOQPEGZSA-N 1 0 474.694 3.999 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314265227 1070011971 /nfs/dbraw/zinc/01/19/71/1070011971.db2.gz KMXDTERJEDZJLG-SRCYTUNASA-N 1 0 477.694 3.692 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314265223 1070012042 /nfs/dbraw/zinc/01/20/42/1070012042.db2.gz KMXDTERJEDZJLG-IFOBJOEFSA-N 1 0 477.694 3.692 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC001314265467 1070013206 /nfs/dbraw/zinc/01/32/06/1070013206.db2.gz IMNLRDZATQVFHE-JOCHJYFZSA-N 1 0 483.661 3.554 20 0 JHADRO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001307488661 1070013694 /nfs/dbraw/zinc/01/36/94/1070013694.db2.gz HAKJHCRYCBRSDF-HNNXBMFYSA-N 1 0 457.446 3.736 20 0 JHADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC001307491452 1070015187 /nfs/dbraw/zinc/01/51/87/1070015187.db2.gz VAGJKABPMRXERQ-UHFFFAOYSA-N 1 0 450.627 3.708 20 0 JHADRO O=C(C[N@@H+]1CCCC2(C1)CCCCCC2)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC001307505058 1070022242 /nfs/dbraw/zinc/02/22/42/1070022242.db2.gz AHYUERVADMJFQB-HMMYKYKNSA-N 1 0 456.612 3.671 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001314267449 1070018019 /nfs/dbraw/zinc/01/80/19/1070018019.db2.gz WKMAFTVRMBSVAH-KNQAVFIVSA-N 1 0 489.064 3.599 20 0 JHADRO C[N@H+](CCNC(=O)C1CCN(Cc2ncc(-c3ccccc3F)o2)CC1)Cc1ccccc1 ZINC001307506548 1070023688 /nfs/dbraw/zinc/02/36/88/1070023688.db2.gz DKTMUDFRFJIEGO-UHFFFAOYSA-N 1 0 450.558 3.941 20 0 JHADRO Cc1cc(C)cc(OCc2noc(CN(C)CCC3CC[NH+](C4CCN(C)CC4)CC3)n2)c1 ZINC001307509189 1070025623 /nfs/dbraw/zinc/02/56/23/1070025623.db2.gz CASZDXYLDIRJPC-UHFFFAOYSA-N 1 0 455.647 3.894 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC001312587520 1070031826 /nfs/dbraw/zinc/03/18/26/1070031826.db2.gz XZPNATLBINNLIR-QHCPKHFHSA-N 1 0 454.521 3.641 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314275146 1070032784 /nfs/dbraw/zinc/03/27/84/1070032784.db2.gz MBXQBLYDHRXSIY-RPWUZVMVSA-N 1 0 471.646 3.528 20 0 JHADRO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001307536929 1070040465 /nfs/dbraw/zinc/04/04/65/1070040465.db2.gz HAFRNFJEMKNRNW-SFHVURJKSA-N 1 0 458.990 3.852 20 0 JHADRO CCOCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001314280265 1070043037 /nfs/dbraw/zinc/04/30/37/1070043037.db2.gz QXWYFVYHBKLGMB-UHFFFAOYSA-N 1 0 453.429 3.629 20 0 JHADRO COc1ccc(NC(=O)C2([NH2+]CCC(=O)Nc3ccc(N(C)C)cc3)CCCC2)cc1OC ZINC001307550792 1070047282 /nfs/dbraw/zinc/04/72/82/1070047282.db2.gz SQJBAFYPTLQXPD-UHFFFAOYSA-N 1 0 454.571 3.640 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)[C@H](C)CC)C1 ZINC001314281202 1070046173 /nfs/dbraw/zinc/04/61/73/1070046173.db2.gz FUBCWEYYOWEIFC-MXEMCNAFSA-N 1 0 478.682 3.784 20 0 JHADRO CCOCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001314284591 1070055249 /nfs/dbraw/zinc/05/52/49/1070055249.db2.gz GKEMDZCQFNVLPP-HXUWFJFHSA-N 1 0 492.064 3.971 20 0 JHADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001307573545 1070060141 /nfs/dbraw/zinc/06/01/41/1070060141.db2.gz JQIZACVPCQQNSX-CTNGQTDRSA-N 1 0 452.382 3.558 20 0 JHADRO CCOCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001314286066 1070058709 /nfs/dbraw/zinc/05/87/09/1070058709.db2.gz LSCDQACGHHZBOX-QHCPKHFHSA-N 1 0 455.647 3.947 20 0 JHADRO Cn1cc(Br)cc1C[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC001307582568 1070063477 /nfs/dbraw/zinc/06/34/77/1070063477.db2.gz GJVVFWCIAXOKFB-HNNXBMFYSA-N 1 0 450.146 3.561 20 0 JHADRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC001307586411 1070065074 /nfs/dbraw/zinc/06/50/74/1070065074.db2.gz RBOZHTJDLNZIEQ-UHFFFAOYSA-N 1 0 451.352 3.730 20 0 JHADRO CCC[C@H]1CN(CC(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)[NH2+]C3(C)C)CCO1 ZINC001307589915 1070068512 /nfs/dbraw/zinc/06/85/12/1070068512.db2.gz QQQKQTJRGRZKAW-HNNXBMFYSA-N 1 0 451.633 3.524 20 0 JHADRO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC001307593982 1070070921 /nfs/dbraw/zinc/07/09/21/1070070921.db2.gz LQKTZVRLVXPFMH-QHCPKHFHSA-N 1 0 451.546 3.570 20 0 JHADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CCOCCN(C)C(=O)OC(C)(C)C)[NH+](C)C ZINC001312659024 1070067207 /nfs/dbraw/zinc/06/72/07/1070067207.db2.gz ICGXNIIFAQAXQB-FPOVZHCZSA-N 1 0 450.624 3.511 20 0 JHADRO CCOCc1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001314293453 1070075454 /nfs/dbraw/zinc/07/54/54/1070075454.db2.gz RBSOGKNESYWGKS-IBGZPJMESA-N 1 0 499.610 3.875 20 0 JHADRO CCOCc1ccccc1Cn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001314293753 1070075785 /nfs/dbraw/zinc/07/57/85/1070075785.db2.gz SZQNBHQXISQIDE-HHHXNRCGSA-N 1 0 485.673 3.826 20 0 JHADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC001312672098 1070073782 /nfs/dbraw/zinc/07/37/82/1070073782.db2.gz MKDVCSIUOUHFEU-ZEQRLZLVSA-N 1 0 458.002 3.874 20 0 JHADRO CCOCc1nnc(N(C)[C@H](C)c2sc(CC)nc2C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001314293173 1070074375 /nfs/dbraw/zinc/07/43/75/1070074375.db2.gz PMYWEMSQSPQOEQ-GOSISDBHSA-N 1 0 464.680 3.575 20 0 JHADRO CCOCc1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001314296996 1070080224 /nfs/dbraw/zinc/08/02/24/1070080224.db2.gz LTCOXVWRCPEDMC-UHFFFAOYSA-N 1 0 463.667 3.695 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]21 ZINC001307604068 1070077016 /nfs/dbraw/zinc/07/70/16/1070077016.db2.gz RWGMHAAYCQYTQU-SESVDKBCSA-N 1 0 457.619 3.636 20 0 JHADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001307622001 1070084393 /nfs/dbraw/zinc/08/43/93/1070084393.db2.gz ATUYIRLRSWRJKW-KGLIPLIRSA-N 1 0 458.411 3.772 20 0 JHADRO COCC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001312684034 1070081044 /nfs/dbraw/zinc/08/10/44/1070081044.db2.gz YAQNGENTCYIWEW-GHTZIAJQSA-N 1 0 457.446 3.881 20 0 JHADRO COC(=O)c1sc(NC(=O)C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)c(C(=O)OC)c1C ZINC001307627256 1070088812 /nfs/dbraw/zinc/08/88/12/1070088812.db2.gz XLWYEKFVYIOZTL-NSHDSACASA-N 1 0 458.458 3.938 20 0 JHADRO CC[C@H]([NH2+]CC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC001307624273 1070085911 /nfs/dbraw/zinc/08/59/11/1070085911.db2.gz XDKDKMWJFCSYSB-DEOSSOPVSA-N 1 0 451.611 3.966 20 0 JHADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Br)ccc1OCCO ZINC001307623957 1070086436 /nfs/dbraw/zinc/08/64/36/1070086436.db2.gz RRGSBVPQESUYEJ-CABCVRRESA-N 1 0 451.361 3.815 20 0 JHADRO CCOCc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1Cc1csc(CC)n1 ZINC001314303385 1070089043 /nfs/dbraw/zinc/08/90/43/1070089043.db2.gz RLZNWSFNRSZNEB-OAQYLSRUSA-N 1 0 454.644 3.983 20 0 JHADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3cccc(N4CCCC4=O)c3)ccc2NC1=O ZINC001307625923 1070086736 /nfs/dbraw/zinc/08/67/36/1070086736.db2.gz FVHSBOXUPOTYEV-XFQAVAEZSA-N 1 0 450.539 3.601 20 0 JHADRO C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001307628828 1070088752 /nfs/dbraw/zinc/08/87/52/1070088752.db2.gz CZXQAHOAMSDUGC-QGZVFWFLSA-N 1 0 452.530 3.522 20 0 JHADRO Cc1ccccc1[C@@H]([NH2+]CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)C(C)(C)C ZINC001307627000 1070088780 /nfs/dbraw/zinc/08/87/80/1070088780.db2.gz PTQYQYPQYLDYBL-XMMPIXPASA-N 1 0 457.640 3.902 20 0 JHADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC001307632227 1070091092 /nfs/dbraw/zinc/09/10/92/1070091092.db2.gz VQNNDYSDVDNJIR-MCFFVMPBSA-N 1 0 459.516 3.812 20 0 JHADRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)ccc1OCc1ccccc1 ZINC001307632573 1070091314 /nfs/dbraw/zinc/09/13/14/1070091314.db2.gz RCMKHSYPGIKBBA-NQIIRXRSSA-N 1 0 454.567 3.867 20 0 JHADRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1OC1CCCC1 ZINC001307633146 1070091905 /nfs/dbraw/zinc/09/19/05/1070091905.db2.gz VWNYTSPCPYAERO-HNNXBMFYSA-N 1 0 451.523 3.532 20 0 JHADRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001307632797 1070092005 /nfs/dbraw/zinc/09/20/05/1070092005.db2.gz YXRIHCGXJXKNCW-RTBURBONSA-N 1 0 450.583 3.622 20 0 JHADRO O=C(C[NH2+][C@H](COc1ccccc1)c1ccccc1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC001307633102 1070092237 /nfs/dbraw/zinc/09/22/37/1070092237.db2.gz PAZGFTMGCSIMGL-AREMUKBSSA-N 1 0 457.574 3.949 20 0 JHADRO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001312732912 1070096654 /nfs/dbraw/zinc/09/66/54/1070096654.db2.gz FVFNYHJKBJJRTP-CZTZKLFOSA-N 1 0 462.610 3.759 20 0 JHADRO CCOC(=O)c1csc(CC2CCN(C(=O)N[C@@H](CC(C)C)C[NH+]3CCCC3)CC2)n1 ZINC001312738636 1070099210 /nfs/dbraw/zinc/09/92/10/1070099210.db2.gz CDVMSLBZQMFBIQ-IBGZPJMESA-N 1 0 450.649 3.794 20 0 JHADRO COCCO[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC001307653199 1070103393 /nfs/dbraw/zinc/10/33/93/1070103393.db2.gz BTLPELPYCQMVRG-GBXCKJPGSA-N 1 0 453.583 3.586 20 0 JHADRO O=C(NC/C=C/c1ccc(Br)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001312753678 1070104245 /nfs/dbraw/zinc/10/42/45/1070104245.db2.gz AMDAJTKUTZASPU-QSULTMIOSA-N 1 0 458.400 3.645 20 0 JHADRO CSc1ccc([C@H](CNC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)[NH+](C)C)cc1 ZINC001312754595 1070104341 /nfs/dbraw/zinc/10/43/41/1070104341.db2.gz FZQSQESUPXULFO-QFIPXVFZSA-N 1 0 456.612 3.928 20 0 JHADRO OCCOC1CC[NH+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001307654933 1070105445 /nfs/dbraw/zinc/10/54/45/1070105445.db2.gz VLBZAGJJANWQJE-OAQYLSRUSA-N 1 0 454.394 3.934 20 0 JHADRO C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1=O ZINC001312755885 1070106051 /nfs/dbraw/zinc/10/60/51/1070106051.db2.gz COPNDFPQBDQXMN-FOVJLYNBSA-N 1 0 452.574 3.794 20 0 JHADRO CCN(CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307656715 1070106495 /nfs/dbraw/zinc/10/64/95/1070106495.db2.gz FTZVAWZIEPEJBP-RPWUZVMVSA-N 1 0 451.611 3.964 20 0 JHADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC001307658844 1070107437 /nfs/dbraw/zinc/10/74/37/1070107437.db2.gz PNXLSQCMHCBWBG-GFCCVEGCSA-N 1 0 455.494 3.662 20 0 JHADRO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(-n2cccn2)c(F)c1 ZINC001312759286 1070108292 /nfs/dbraw/zinc/10/82/92/1070108292.db2.gz KWQVDHWKGHCMOW-PGRDOPGGSA-N 1 0 451.546 3.529 20 0 JHADRO COC(=O)COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC001307665185 1070111923 /nfs/dbraw/zinc/11/19/23/1070111923.db2.gz RQQYXUUKGAMIMW-LIRRHRJNSA-N 1 0 452.429 3.593 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001314327023 1070114566 /nfs/dbraw/zinc/11/45/66/1070114566.db2.gz ZLTCWMIFNGMVMA-UHFFFAOYSA-N 1 0 482.673 3.542 20 0 JHADRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC001307668503 1070112959 /nfs/dbraw/zinc/11/29/59/1070112959.db2.gz HNXWCCAJOVRSET-HRCADAONSA-N 1 0 452.521 3.622 20 0 JHADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001312776575 1070116110 /nfs/dbraw/zinc/11/61/10/1070116110.db2.gz FEKDPWDDDLGKPG-UHFFFAOYSA-N 1 0 452.382 3.699 20 0 JHADRO CCOCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H](F)c1ccc(Br)cc1 ZINC001314328263 1070116845 /nfs/dbraw/zinc/11/68/45/1070116845.db2.gz RSKXWPRZHSHOIL-MNEFBYGVSA-N 1 0 466.399 3.961 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC001312781460 1070118411 /nfs/dbraw/zinc/11/84/11/1070118411.db2.gz VIMIUHSSAMNVPY-QFZRFWILSA-N 1 0 479.625 3.504 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001314331366 1070123911 /nfs/dbraw/zinc/12/39/11/1070123911.db2.gz VOGCHTIVZLYASU-UHFFFAOYSA-N 1 0 496.700 3.920 20 0 JHADRO CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](CC)CC)C2 ZINC001312784818 1070120052 /nfs/dbraw/zinc/12/00/52/1070120052.db2.gz ABVMOVYDSKJIQI-FDDCHVKYSA-N 1 0 455.603 3.619 20 0 JHADRO CCOCc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314333607 1070128785 /nfs/dbraw/zinc/12/87/85/1070128785.db2.gz JHZQUUKVFSXSOC-HMFYCAOWSA-N 1 0 475.600 3.712 20 0 JHADRO CCOCc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001314336964 1070131762 /nfs/dbraw/zinc/13/17/62/1070131762.db2.gz FRHPFIHYSQBZSC-QFIPXVFZSA-N 1 0 482.673 3.707 20 0 JHADRO COC(=O)N1CCC([C@H](C)[NH2+]CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)CC1 ZINC001307694843 1070131791 /nfs/dbraw/zinc/13/17/91/1070131791.db2.gz BXKYPIUDUVUJCC-AVRDEDQJSA-N 1 0 452.555 3.722 20 0 JHADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2ncsc2c1 ZINC001307701534 1070135164 /nfs/dbraw/zinc/13/51/64/1070135164.db2.gz YCRBCYPILLOOID-MRXNPFEDSA-N 1 0 458.609 3.760 20 0 JHADRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@@H](C)C1 ZINC001307707750 1070136850 /nfs/dbraw/zinc/13/68/50/1070136850.db2.gz KDERTWXGCCLIJD-RBBKRZOGSA-N 1 0 455.647 3.835 20 0 JHADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC001307721288 1070145922 /nfs/dbraw/zinc/14/59/22/1070145922.db2.gz IIFFVWZWHGIIED-UHFFFAOYSA-N 1 0 451.036 3.592 20 0 JHADRO CCOCc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001314342761 1070145074 /nfs/dbraw/zinc/14/50/74/1070145074.db2.gz LJXYJPGIUMOIFC-QGZVFWFLSA-N 1 0 452.525 3.589 20 0 JHADRO CCOCc1nnc(N2CCC(N3CCc4ccccc43)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001314345175 1070150335 /nfs/dbraw/zinc/15/03/35/1070150335.db2.gz JKXGIFKQTNGTAU-QHCPKHFHSA-N 1 0 454.663 3.822 20 0 JHADRO OC[C@@H]([NH2+]C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCOCC1 ZINC001307732860 1070155909 /nfs/dbraw/zinc/15/59/09/1070155909.db2.gz SDEUYPQYCOZULS-FCHUYYIVSA-N 1 0 454.394 3.837 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1 ZINC001312885146 1070167313 /nfs/dbraw/zinc/16/73/13/1070167313.db2.gz KPSUUTOMMDYKFC-JBBQQGGESA-N 1 0 451.611 3.905 20 0 JHADRO CC(C)[C@@H](NCC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)c1nncn1C ZINC001307758476 1070169392 /nfs/dbraw/zinc/16/93/92/1070169392.db2.gz SFXZTDJMXVMDHB-OAQYLSRUSA-N 1 0 451.596 3.912 20 0 JHADRO CCOCc1nnc(N2CCc3cc(F)cc(C)c3C2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001314355088 1070176089 /nfs/dbraw/zinc/17/60/89/1070176089.db2.gz LMFXRBHHOAZISK-XMMPIXPASA-N 1 0 473.637 3.962 20 0 JHADRO NC(=O)CC[N@H+](CC1CCN(C(=O)OCc2ccccc2)CC1)[C@H]1CCOc2ccccc21 ZINC001307770697 1070176164 /nfs/dbraw/zinc/17/61/64/1070176164.db2.gz SNYIEDLSKXEALL-QHCPKHFHSA-N 1 0 451.567 3.736 20 0 JHADRO COCC[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1 ZINC001307770983 1070176216 /nfs/dbraw/zinc/17/62/16/1070176216.db2.gz ZXDDHQVIUHBIHN-FQEVSTJZSA-N 1 0 450.505 3.507 20 0 JHADRO Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)cc1S(=O)(=O)N(C)C ZINC001307774131 1070177755 /nfs/dbraw/zinc/17/77/55/1070177755.db2.gz POQQGPCPOADHDD-OAQYLSRUSA-N 1 0 453.967 3.717 20 0 JHADRO CCOCc1nnc(N2CC[C@]3(C2)OCc2ccccc23)n1CC[N@H+](CC)CCC(F)(F)F ZINC001314354118 1070174545 /nfs/dbraw/zinc/17/45/45/1070174545.db2.gz YJGHZCPCQOCWDN-JOCHJYFZSA-N 1 0 467.536 3.725 20 0 JHADRO CCOCc1nnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001314358847 1070181463 /nfs/dbraw/zinc/18/14/63/1070181463.db2.gz OPZAGSJINCCHDJ-PZJWPPBQSA-N 1 0 476.666 3.525 20 0 JHADRO O=C(C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1)NCCc1ccc(OC(F)(F)F)cc1 ZINC001307794751 1070184650 /nfs/dbraw/zinc/18/46/50/1070184650.db2.gz VRQNJZIIIAJYMV-UHFFFAOYSA-N 1 0 454.464 3.765 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C(C)C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001314361136 1070185190 /nfs/dbraw/zinc/18/51/90/1070185190.db2.gz NMDSKUQPMBXSNT-XMMPIXPASA-N 1 0 454.663 3.505 20 0 JHADRO C[C@@](O)(C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC001307799564 1070187108 /nfs/dbraw/zinc/18/71/08/1070187108.db2.gz MGHJVJFTPALHDC-TZIWHRDSSA-N 1 0 452.414 3.973 20 0 JHADRO CCCC[N@H+](CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@@H]1CCC[C@@H](C)C1 ZINC001307801845 1070188730 /nfs/dbraw/zinc/18/87/30/1070188730.db2.gz BIWKSKLWAHPJAE-NBAVEFBMSA-N 1 0 458.628 3.915 20 0 JHADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)N3C[C@@H](c4ccccc4)[C@](F)(CO)C3)ccc2c1 ZINC001307804483 1070190363 /nfs/dbraw/zinc/19/03/63/1070190363.db2.gz IZPQAAHPGUXSFP-YDOVEJIGSA-N 1 0 450.554 3.995 20 0 JHADRO CC[C@H]1[C@@H](CO)CCN1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC001307806339 1070191403 /nfs/dbraw/zinc/19/14/03/1070191403.db2.gz XRHFMCXEFMKMDR-APWZRJJASA-N 1 0 456.608 3.898 20 0 JHADRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)cc1 ZINC001307811858 1070195185 /nfs/dbraw/zinc/19/51/85/1070195185.db2.gz BPIFFDKUAZBJPD-VWLOTQADSA-N 1 0 451.611 3.674 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001314365917 1070196605 /nfs/dbraw/zinc/19/66/05/1070196605.db2.gz MXVODOXPDINVOK-JTHBVZDNSA-N 1 0 482.673 3.656 20 0 JHADRO CC[N@H+](CCCNC(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC001312964301 1070201890 /nfs/dbraw/zinc/20/18/90/1070201890.db2.gz PDXNTHRNCZSOBQ-QHCPKHFHSA-N 1 0 451.055 3.745 20 0 JHADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)NC[C@@H]2CC[N@@H+]2CC)cc1 ZINC001312987569 1070208496 /nfs/dbraw/zinc/20/84/96/1070208496.db2.gz FFVXQENDIQYVEM-BVSLBCMMSA-N 1 0 460.619 3.572 20 0 JHADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1F ZINC001307831228 1070204777 /nfs/dbraw/zinc/20/47/77/1070204777.db2.gz LJITWLMLNIJWFZ-NPMXOYFQSA-N 1 0 450.501 3.905 20 0 JHADRO CC(C)N(C(=O)C[NH+]1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1)C1CCCC1 ZINC001307839456 1070207502 /nfs/dbraw/zinc/20/75/02/1070207502.db2.gz HLUYOOQIMHJSBO-IFMALSPDSA-N 1 0 451.652 3.950 20 0 JHADRO C[C@@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001312991083 1070213786 /nfs/dbraw/zinc/21/37/86/1070213786.db2.gz FQOILDBWBKPDSI-CJFMBICVSA-N 1 0 459.631 3.502 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC001307862391 1070215633 /nfs/dbraw/zinc/21/56/33/1070215633.db2.gz FWGLXBRMPOYDEK-QZTJIDSGSA-N 1 0 456.587 3.710 20 0 JHADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC001312994140 1070216284 /nfs/dbraw/zinc/21/62/84/1070216284.db2.gz HYJUYPJHCJCOFO-KRWDZBQOSA-N 1 0 459.462 3.956 20 0 JHADRO CCN(C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001313018603 1070223304 /nfs/dbraw/zinc/22/33/04/1070223304.db2.gz UJIJGBVBHCLVIQ-ZEQRLZLVSA-N 1 0 457.018 3.851 20 0 JHADRO C[NH+]1CCC(CNC(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)(c2ccccc2)CC1 ZINC001313016452 1070222965 /nfs/dbraw/zinc/22/29/65/1070222965.db2.gz PPOACSDVADKIMR-QHCPKHFHSA-N 1 0 457.018 3.508 20 0 JHADRO COC(=O)[C@@]1(NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCC[N@H+](Cc2ccccc2)C1 ZINC001307888540 1070226597 /nfs/dbraw/zinc/22/65/97/1070226597.db2.gz XXRAKQMRCHMCQY-ATIYNZHBSA-N 1 0 459.631 3.821 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC2(O)C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1(C)C ZINC001307888825 1070226749 /nfs/dbraw/zinc/22/67/49/1070226749.db2.gz XVTPLJBGZVEKEE-HUGUOQNASA-N 1 0 453.624 3.561 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1c1ccc(O)cc1 ZINC001307884139 1070224101 /nfs/dbraw/zinc/22/41/01/1070224101.db2.gz KQQGSDROGYVARX-BJKOFHAPSA-N 1 0 452.551 3.629 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314380983 1070224147 /nfs/dbraw/zinc/22/41/47/1070224147.db2.gz DJJPXKUKJOCABA-VXKWHMMOSA-N 1 0 482.673 3.534 20 0 JHADRO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001313024636 1070224596 /nfs/dbraw/zinc/22/45/96/1070224596.db2.gz NXODIJRGSNRLOH-HXUWFJFHSA-N 1 0 450.421 3.714 20 0 JHADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC001313038789 1070230171 /nfs/dbraw/zinc/23/01/71/1070230171.db2.gz BYUIQPCZMRNNDG-DQEYMECFSA-N 1 0 450.627 3.823 20 0 JHADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1 ZINC001313038791 1070230638 /nfs/dbraw/zinc/23/06/38/1070230638.db2.gz BYUIQPCZMRNNDG-LOSJGSFVSA-N 1 0 450.627 3.823 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001314385620 1070231253 /nfs/dbraw/zinc/23/12/53/1070231253.db2.gz NRFBNIXZYZFRCQ-LJQANCHMSA-N 1 0 490.624 3.531 20 0 JHADRO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)s1 ZINC001307903468 1070232395 /nfs/dbraw/zinc/23/23/95/1070232395.db2.gz CTLFQUBBGHVYCW-XYJFISCASA-N 1 0 453.605 3.604 20 0 JHADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCOc2c(Br)cccc2Br)C1 ZINC001307925880 1070245773 /nfs/dbraw/zinc/24/57/73/1070245773.db2.gz YHEYQKYLBLZUKK-WOSRLPQWSA-N 1 0 451.199 3.746 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314391251 1070245957 /nfs/dbraw/zinc/24/59/57/1070245957.db2.gz WDPBTPWJGHZHAN-NQIIRXRSSA-N 1 0 487.649 3.596 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCOc1ccc(F)c(Cl)c1 ZINC001314391605 1070246698 /nfs/dbraw/zinc/24/66/98/1070246698.db2.gz WZXLZPAPHCPYTB-UHFFFAOYSA-N 1 0 451.974 3.751 20 0 JHADRO COc1cc(NC(=O)CC[N@@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)cc(OC)c1OC ZINC001307931372 1070247942 /nfs/dbraw/zinc/24/79/42/1070247942.db2.gz QJRNWGNNPHBGSO-VWLOTQADSA-N 1 0 454.523 3.541 20 0 JHADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001313082030 1070243987 /nfs/dbraw/zinc/24/39/87/1070243987.db2.gz JPPUXOMLHNMREK-IRLDBZIGSA-N 1 0 456.631 3.940 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccc(C)cc1SC ZINC001314393633 1070250978 /nfs/dbraw/zinc/25/09/78/1070250978.db2.gz CLHSUNOMKJDGFE-IBGZPJMESA-N 1 0 459.660 3.583 20 0 JHADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC(=O)NCCc3ccc(C(C)(C)C)cc3)C2)ccn1 ZINC001307955093 1070256888 /nfs/dbraw/zinc/25/68/88/1070256888.db2.gz QXAUEWPNEVVUGM-RUZDIDTESA-N 1 0 452.643 3.643 20 0 JHADRO CCOCc1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314397515 1070257082 /nfs/dbraw/zinc/25/70/82/1070257082.db2.gz TZGIPCMBJVSKDH-JOCHJYFZSA-N 1 0 472.634 3.640 20 0 JHADRO CC[C@@H](CO)[N@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)C1CCC(C(C)(C)C)CC1 ZINC001307959360 1070258642 /nfs/dbraw/zinc/25/86/42/1070258642.db2.gz ZLDAZHKZDDNHAC-RZMWZJFBSA-N 1 0 457.659 3.873 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001314397952 1070257906 /nfs/dbraw/zinc/25/79/06/1070257906.db2.gz DQZZVPNHTVTCKI-FGZHOGPDSA-N 1 0 477.694 3.593 20 0 JHADRO COc1ccc(OC)c([C@H](O)CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1 ZINC001313123677 1070259464 /nfs/dbraw/zinc/25/94/64/1070259464.db2.gz HSWPXBGNLASFBZ-RTBURBONSA-N 1 0 456.370 3.646 20 0 JHADRO CCOCc1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001314399844 1070261026 /nfs/dbraw/zinc/26/10/26/1070261026.db2.gz GSKYVUUZAJCDBP-OAQYLSRUSA-N 1 0 458.626 3.540 20 0 JHADRO C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001307975901 1070265522 /nfs/dbraw/zinc/26/55/22/1070265522.db2.gz PHZYAXGMFFMVIY-HXUWFJFHSA-N 1 0 454.640 3.888 20 0 JHADRO C[N@H+](CCN1CCN(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC001313148682 1070269665 /nfs/dbraw/zinc/26/96/65/1070269665.db2.gz HANPYTOHNQJILH-RPWUZVMVSA-N 1 0 457.018 3.629 20 0 JHADRO CCOC(=O)c1nnn(C2CC[NH+](CCC(=O)Nc3cc(F)ccc3C)CC2)c1C(F)F ZINC001307992111 1070272413 /nfs/dbraw/zinc/27/24/13/1070272413.db2.gz ODNMOWSDQWOTHF-UHFFFAOYSA-N 1 0 453.465 3.506 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314410723 1070276620 /nfs/dbraw/zinc/27/66/20/1070276620.db2.gz VUXKEMUXLSESLP-GGPKGHCWSA-N 1 0 462.664 3.525 20 0 JHADRO CCOCCN(C(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)CCO1)[C@H]1CCc2ccccc21 ZINC001313170292 1070279082 /nfs/dbraw/zinc/27/90/82/1070279082.db2.gz XJUGNDAGSWZMIS-RSXGOPAZSA-N 1 0 451.611 3.931 20 0 JHADRO CCOc1ccc(NC(=O)CC[N@@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](c3cnn(C)c3)C2)cc1 ZINC001308013638 1070279671 /nfs/dbraw/zinc/27/96/71/1070279671.db2.gz MPBLFPHGRKZFFS-RBUKOAKNSA-N 1 0 456.587 3.595 20 0 JHADRO C[C@@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001313173776 1070280431 /nfs/dbraw/zinc/28/04/31/1070280431.db2.gz VGGPABPRFMFDAZ-NRFANRHFSA-N 1 0 457.640 3.544 20 0 JHADRO CCCCCc1nnc(NC(=O)CN2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)s1 ZINC001308031750 1070287043 /nfs/dbraw/zinc/28/70/43/1070287043.db2.gz PPQNTLVBCZMDQS-DVECYGJZSA-N 1 0 457.644 3.575 20 0 JHADRO CCCCCc1nnc(NC(=O)CN2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)s1 ZINC001308031751 1070287164 /nfs/dbraw/zinc/28/71/64/1070287164.db2.gz PPQNTLVBCZMDQS-NTKDMRAZSA-N 1 0 457.644 3.575 20 0 JHADRO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[NH2+]C2([C@H]3CCCCO3)CCC2)c1 ZINC001308029601 1070285376 /nfs/dbraw/zinc/28/53/76/1070285376.db2.gz SKRIBGRSUUHNKO-JOCHJYFZSA-N 1 0 457.596 3.532 20 0 JHADRO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](O)COc2ccc(Cl)cc2Br)no1 ZINC001308029894 1070286286 /nfs/dbraw/zinc/28/62/86/1070286286.db2.gz AOSSHZSVJPOZPA-WDVRLDOZSA-N 1 0 456.768 3.944 20 0 JHADRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)c4ccc(Cl)cc4F)CC3)C2)cc1 ZINC001313188478 1070286797 /nfs/dbraw/zinc/28/67/97/1070286797.db2.gz WOYUVOGAPZQVLZ-HXUWFJFHSA-N 1 0 458.965 3.529 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001314418862 1070288567 /nfs/dbraw/zinc/28/85/67/1070288567.db2.gz LGHCLVDLNWIXSB-YPAWHYETSA-N 1 0 471.646 3.706 20 0 JHADRO C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001308046166 1070290461 /nfs/dbraw/zinc/29/04/61/1070290461.db2.gz NMWMEZBOILVKCR-OEMFJLHTSA-N 1 0 451.611 3.660 20 0 JHADRO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 ZINC001308067153 1070301292 /nfs/dbraw/zinc/30/12/92/1070301292.db2.gz YZQAEMQDMZIIRV-IRDJYZNJSA-N 1 0 458.599 3.579 20 0 JHADRO Cc1c(Br)cccc1CCNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001313271859 1070312009 /nfs/dbraw/zinc/31/20/09/1070312009.db2.gz YVLHUBKXHZVDTO-HDICACEKSA-N 1 0 451.453 3.500 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001314427667 1070307625 /nfs/dbraw/zinc/30/76/25/1070307625.db2.gz BDYULVZCCZRTQZ-QGZVFWFLSA-N 1 0 482.456 3.962 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314428204 1070308700 /nfs/dbraw/zinc/30/87/00/1070308700.db2.gz FFBBGBGKYVZMGO-HBMCJLEFSA-N 1 0 471.646 3.704 20 0 JHADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc2c(c1)CCO2 ZINC001308118239 1070320502 /nfs/dbraw/zinc/32/05/02/1070320502.db2.gz CQOFIRFLIXJRQW-MRXNPFEDSA-N 1 0 454.523 3.883 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001314435253 1070321005 /nfs/dbraw/zinc/32/10/05/1070321005.db2.gz OHMGYULPRYLAKV-RTWAWAEBSA-N 1 0 471.646 3.946 20 0 JHADRO CN(C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001313306316 1070321652 /nfs/dbraw/zinc/32/16/52/1070321652.db2.gz JUUUCRZSDCBZCC-NGYIFUPDSA-N 1 0 456.537 3.543 20 0 JHADRO CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@@H+]3CC(C)(C)[C@H]4CCC[C@H]43)C2=O)cc1 ZINC001308134117 1070325110 /nfs/dbraw/zinc/32/51/10/1070325110.db2.gz AMWHWRZILIGDCR-LMDFLPLLSA-N 1 0 471.623 3.748 20 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JHADRO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@]1(CO)CC[C@H](C)c3ccccc31)C[C@H](C)CC2 ZINC001308156998 1070331601 /nfs/dbraw/zinc/33/16/01/1070331601.db2.gz AHHGWXKWZQDIJL-TWKFVSLJSA-N 1 0 456.608 3.973 20 0 JHADRO CO[C@@H](C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001308176039 1070336508 /nfs/dbraw/zinc/33/65/08/1070336508.db2.gz BIZGQLRQOOWWEW-PMACEKPBSA-N 1 0 451.995 3.571 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313369518 1070339001 /nfs/dbraw/zinc/33/90/01/1070339001.db2.gz XMQJHUFXHFZUPH-HDICACEKSA-N 1 0 458.525 3.834 20 0 JHADRO Cc1ccc(CNC(=O)C2CCN(C(=O)NC[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)CC2)cc1F ZINC001313371231 1070339091 /nfs/dbraw/zinc/33/90/91/1070339091.db2.gz IOFCOCVVHTYYTE-RPWUZVMVSA-N 1 0 466.601 3.517 20 0 JHADRO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2cnnn2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001308198174 1070339203 /nfs/dbraw/zinc/33/92/03/1070339203.db2.gz OMNJYIJEGACDDN-FQEVSTJZSA-N 1 0 456.591 3.734 20 0 JHADRO 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UVXHYOBZFRRUEQ-JWQCQUIFSA-N 1 0 454.590 3.682 20 0 JHADRO CCCN1CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)(C)CC)CC1=O ZINC001313446685 1070363697 /nfs/dbraw/zinc/36/36/97/1070363697.db2.gz MVVNMLAAGOBBNF-UHFFFAOYSA-N 1 0 495.716 3.528 20 0 JHADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001308393634 1070366968 /nfs/dbraw/zinc/36/69/68/1070366968.db2.gz ZQLUNHRDNXGQJU-FQEVSTJZSA-N 1 0 457.373 3.537 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC=C(COC)CC1 ZINC001313447536 1070367681 /nfs/dbraw/zinc/36/76/81/1070367681.db2.gz JHVOFKJBMHYLJU-QFIPXVFZSA-N 1 0 487.048 3.519 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001313447577 1070367754 /nfs/dbraw/zinc/36/77/54/1070367754.db2.gz MFIRITCNPQYVIW-FQEVSTJZSA-N 1 0 472.609 3.873 20 0 JHADRO CS(=O)(=O)Nc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001308432707 1070374616 /nfs/dbraw/zinc/37/46/16/1070374616.db2.gz MPOXEPFNQSUALD-LOSJGSFVSA-N 1 0 453.583 3.955 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)C1 ZINC001308405116 1070370852 /nfs/dbraw/zinc/37/08/52/1070370852.db2.gz MPHGEEPJOYXVOP-CEYNDMKZSA-N 1 0 456.587 3.837 20 0 JHADRO CCOc1c(OC)cc(C[NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)cc1OC ZINC001308405035 1070370868 /nfs/dbraw/zinc/37/08/68/1070370868.db2.gz LKZOCPLDFNYEKZ-RUZDIDTESA-N 1 0 453.539 3.617 20 0 JHADRO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)C2 ZINC001308430588 1070374707 /nfs/dbraw/zinc/37/47/07/1070374707.db2.gz OWXUBUKJOSPMCO-FQWCMUAHSA-N 1 0 457.384 3.728 20 0 JHADRO CCCOc1ccc(C[NH2+]CC2(N3CCN(c4ccccc4)CC3)CCOCC2)cc1OC ZINC001308405481 1070371660 /nfs/dbraw/zinc/37/16/60/1070371660.db2.gz TYUHCNHBMPGOSE-UHFFFAOYSA-N 1 0 453.627 3.945 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)CC ZINC001313448741 1070372496 /nfs/dbraw/zinc/37/24/96/1070372496.db2.gz AQEVOPVCGBXCDY-IRLDBZIGSA-N 1 0 454.667 3.809 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001313449609 1070374897 /nfs/dbraw/zinc/37/48/97/1070374897.db2.gz YKVKINKHMBHXGH-HNNXBMFYSA-N 1 0 495.857 3.933 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1Br ZINC001313449074 1070373392 /nfs/dbraw/zinc/37/33/92/1070373392.db2.gz FVZKNSDJSBHYGD-IBGZPJMESA-N 1 0 472.435 3.952 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1Br ZINC001313448944 1070373512 /nfs/dbraw/zinc/37/35/12/1070373512.db2.gz DPMOIHSXEBAPSR-PKOBYXMFSA-N 1 0 475.435 3.503 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C)C1 ZINC001313449243 1070373960 /nfs/dbraw/zinc/37/39/60/1070373960.db2.gz WMVZSOMBPWCLMM-GJZGRUSLSA-N 1 0 454.438 3.869 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314464810 1070375154 /nfs/dbraw/zinc/37/51/54/1070375154.db2.gz PHFNZABTZOXTKW-KRWDZBQOSA-N 1 0 481.464 3.883 20 0 JHADRO CCOc1ccc(NC(=O)COc2ccc(C[NH2+][C@@H]3CCCC(F)(F)[C@H]3O)cc2OC)cc1 ZINC001308434366 1070375350 /nfs/dbraw/zinc/37/53/50/1070375350.db2.gz LCAFUIJQFQSFKM-XXBNENTESA-N 1 0 464.509 3.750 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314464877 1070375463 /nfs/dbraw/zinc/37/54/63/1070375463.db2.gz QMOFBGQRXSEAES-HXUWFJFHSA-N 1 0 451.619 3.928 20 0 JHADRO CCOCCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314466466 1070377022 /nfs/dbraw/zinc/37/70/22/1070377022.db2.gz CEXFFJJJTNNYMS-OAQYLSRUSA-N 1 0 498.491 3.626 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1Cl ZINC001313450627 1070378360 /nfs/dbraw/zinc/37/83/60/1070378360.db2.gz ZXJOUWHGHPWIKD-IBGZPJMESA-N 1 0 475.037 3.557 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1)CC(F)(F)F ZINC001308465251 1070379054 /nfs/dbraw/zinc/37/90/54/1070379054.db2.gz FLJFGFPIBJJFIL-GOSISDBHSA-N 1 0 456.553 3.777 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC001313451626 1070379951 /nfs/dbraw/zinc/37/99/51/1070379951.db2.gz ZKMYZEUROKAAHA-DEOSSOPVSA-N 1 0 495.716 3.729 20 0 JHADRO CCOc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)ccc1OCC(=O)Nc1ccccc1 ZINC001308486902 1070381179 /nfs/dbraw/zinc/38/11/79/1070381179.db2.gz BWDXAMITUAXSNS-RLWLMLJZSA-N 1 0 463.534 3.823 20 0 JHADRO CCCn1nc(-c2nnc(N(C)CC(F)(F)F)n2CC[N@H+](C)[C@@H](C)CC)c2ccccc2c1=O ZINC001313452046 1070381100 /nfs/dbraw/zinc/38/11/00/1070381100.db2.gz CSRFOUXFHQACIV-INIZCTEOSA-N 1 0 479.551 3.794 20 0 JHADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NCc2ccc3[nH]ccc3c2)c1 ZINC001308509057 1070383710 /nfs/dbraw/zinc/38/37/10/1070383710.db2.gz YVRQUBJYLLRYSC-UHFFFAOYSA-N 1 0 455.628 3.562 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001313453207 1070384740 /nfs/dbraw/zinc/38/47/40/1070384740.db2.gz UHALAYFNDKNTJN-QHCPKHFHSA-N 1 0 492.672 3.706 20 0 JHADRO 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ZINC001308614126 1070401778 /nfs/dbraw/zinc/40/17/78/1070401778.db2.gz VFOSTBSVCKUGHJ-UHFFFAOYSA-N 1 0 453.343 3.964 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001313459176 1070405211 /nfs/dbraw/zinc/40/52/11/1070405211.db2.gz FQMVBRSDNOYEKB-GMAHTHKFSA-N 1 0 482.673 3.961 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCC[N@@H+]2CCC)C1 ZINC001313459298 1070405749 /nfs/dbraw/zinc/40/57/49/1070405749.db2.gz GSMTZOMXRZUJNV-XZOQPEGZSA-N 1 0 482.673 3.961 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001313459325 1070405901 /nfs/dbraw/zinc/40/59/01/1070405901.db2.gz HNCWMVNHVZZJMP-DLBZAZTESA-N 1 0 477.028 3.963 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H]1CC ZINC001314492709 1070405878 /nfs/dbraw/zinc/40/58/78/1070405878.db2.gz AFAPYVRDVQYLRZ-GBESFXJTSA-N 1 0 488.599 3.647 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)c2cccc(F)c2)C[C@H]1CC 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/nfs/dbraw/zinc/50/83/96/1070508396.db2.gz ZQAZZRYUXNUKNX-UHFFFAOYSA-N 1 0 481.732 3.734 20 0 JHADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1ncsc1Br ZINC001309057034 1070512669 /nfs/dbraw/zinc/51/26/69/1070512669.db2.gz VCFVXHJVAUAKOE-AWEZNQCLSA-N 1 0 458.447 3.900 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313490161 1070511107 /nfs/dbraw/zinc/51/11/07/1070511107.db2.gz SIMPZIBNAMWLDU-UHFFFAOYSA-N 1 0 497.869 3.808 20 0 JHADRO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)c1cccc(C)c1Br ZINC001309058121 1070513270 /nfs/dbraw/zinc/51/32/70/1070513270.db2.gz NOMKESBVKBRHOP-UHFFFAOYSA-N 1 0 455.418 3.957 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccccc2F)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314524273 1070516378 /nfs/dbraw/zinc/51/63/78/1070516378.db2.gz PLQFXNUMSYVWID-OALUTQOASA-N 1 0 479.666 3.712 20 0 JHADRO CCCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313497691 1070518570 /nfs/dbraw/zinc/51/85/70/1070518570.db2.gz QASQWNJNSLQPGC-NZQKXSOJSA-N 1 0 480.682 3.946 20 0 JHADRO CCCOc1ccc(-c2nnc(N(C)C3CCC3)n2CC(C)(C)N2CCOCC2)cc1OC ZINC001313501320 1070524364 /nfs/dbraw/zinc/52/43/64/1070524364.db2.gz OQNMJLFRKLHDOV-UHFFFAOYSA-N 1 0 457.619 3.842 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@@H](C(=O)OC)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC001313502950 1070531387 /nfs/dbraw/zinc/53/13/87/1070531387.db2.gz MNMMOFPLYDXHNG-OAQYLSRUSA-N 1 0 499.656 3.864 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001313503376 1070533239 /nfs/dbraw/zinc/53/32/39/1070533239.db2.gz PHWSLQKZAUUNOG-IBVKSMDESA-N 1 0 471.646 3.682 20 0 JHADRO CCS(=O)(=O)N(C)C1CCN(c2nnc(C3CCCC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001314538154 1070533258 /nfs/dbraw/zinc/53/32/58/1070533258.db2.gz JXPKOAFCUVIREA-OYRHEFFESA-N 1 0 494.750 3.554 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CC(F)(F)CO2)cc1OC ZINC001313503590 1070534344 /nfs/dbraw/zinc/53/43/44/1070534344.db2.gz KAULTODGCFPSCM-FQEVSTJZSA-N 1 0 493.599 3.945 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC001309091479 1070535039 /nfs/dbraw/zinc/53/50/39/1070535039.db2.gz XCFCTGQZPIBJOM-INIZCTEOSA-N 1 0 453.393 3.968 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001313504010 1070535980 /nfs/dbraw/zinc/53/59/80/1070535980.db2.gz RYNOWDIAUVEEGV-RDPSFJRHSA-N 1 0 469.630 3.866 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCOCC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001313504393 1070538365 /nfs/dbraw/zinc/53/83/65/1070538365.db2.gz GHFLLYMRVRVADG-FQEVSTJZSA-N 1 0 457.619 3.701 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2(C(N)=O)CCCC2)cc1OC ZINC001313505687 1070544886 /nfs/dbraw/zinc/54/48/86/1070544886.db2.gz LSRMSPXSHHVLKE-UHFFFAOYSA-N 1 0 498.672 3.709 20 0 JHADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001309099973 1070539851 /nfs/dbraw/zinc/53/98/51/1070539851.db2.gz LHOCWTIYWYQQPY-NVXWUHKLSA-N 1 0 453.402 3.880 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2C[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC001313505137 1070541614 /nfs/dbraw/zinc/54/16/14/1070541614.db2.gz YNQVTMNRXFWOQN-PCCBWWKXSA-N 1 0 471.646 3.946 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCO[C@@H](c4nccs4)C3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001313505784 1070545485 /nfs/dbraw/zinc/54/54/85/1070545485.db2.gz RTSKJIPUQPNDLN-LAUBAEHRSA-N 1 0 486.642 3.727 20 0 JHADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)C1(C(=O)OC)CCC1 ZINC001309113328 1070546407 /nfs/dbraw/zinc/54/64/07/1070546407.db2.gz IHXCZXLLDPPZBT-UHFFFAOYSA-N 1 0 451.416 3.563 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC001313506097 1070546642 /nfs/dbraw/zinc/54/66/42/1070546642.db2.gz NEMFKVDLULTCNV-IRLDBZIGSA-N 1 0 498.672 3.530 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2cnn(C)c2C)cc1OC ZINC001313506686 1070549538 /nfs/dbraw/zinc/54/95/38/1070549538.db2.gz YQCMJWUINZISHU-UHFFFAOYSA-N 1 0 481.645 3.611 20 0 JHADRO CC[S@](=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001314557253 1070559397 /nfs/dbraw/zinc/55/93/97/1070559397.db2.gz FCKYYKQICZAVEP-ASPBEGMCSA-N 1 0 479.666 3.884 20 0 JHADRO COC(=O)c1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c(Cl)c1 ZINC001309139443 1070562568 /nfs/dbraw/zinc/56/25/68/1070562568.db2.gz VBUZKVIVRUZNFC-UHFFFAOYSA-N 1 0 450.988 3.837 20 0 JHADRO CCCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[NH+](C(C)C)CC2)cc1 ZINC001313512710 1070564898 /nfs/dbraw/zinc/56/48/98/1070564898.db2.gz RGCOIFOFTFPSJU-UHFFFAOYSA-N 1 0 451.619 3.507 20 0 JHADRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1)c1ccccc1 ZINC001309154542 1070572793 /nfs/dbraw/zinc/57/27/93/1070572793.db2.gz QJLZPPJNMUSPBM-MSOLQXFVSA-N 1 0 450.576 3.649 20 0 JHADRO CC[S@@](=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001314565164 1070569741 /nfs/dbraw/zinc/56/97/41/1070569741.db2.gz ZJECSOCQTOJTBL-AUMHUTNHSA-N 1 0 463.717 3.867 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCCC[N@@H+]2CCC)cc1OC ZINC001313513995 1070569915 /nfs/dbraw/zinc/56/99/15/1070569915.db2.gz PJPMECDWQDJUQI-NRFANRHFSA-N 1 0 489.686 3.576 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC001314578501 1070588555 /nfs/dbraw/zinc/58/85/55/1070588555.db2.gz WVGBVTIEOPXPQU-ZWKOTPCHSA-N 1 0 479.695 3.910 20 0 JHADRO CC(=O)N1c2ccc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCCCC3)cc2C[C@H]1C ZINC001309176954 1070586008 /nfs/dbraw/zinc/58/60/08/1070586008.db2.gz OGQQKDJEZZNVRA-LJQANCHMSA-N 1 0 455.624 3.839 20 0 JHADRO CC[S@](=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001314577260 1070586688 /nfs/dbraw/zinc/58/66/88/1070586688.db2.gz HGLJDQWTUJYNBU-AUJYXFMNSA-N 1 0 479.735 3.666 20 0 JHADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCCC1)c1cc(Cl)ccc1OC(F)F ZINC001309182865 1070589588 /nfs/dbraw/zinc/58/95/88/1070589588.db2.gz HJIVOMPKWWQAPG-UHFFFAOYSA-N 1 0 454.992 3.971 20 0 JHADRO CC[S@@](=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001314580144 1070591864 /nfs/dbraw/zinc/59/18/64/1070591864.db2.gz SFIONGHQTXYXQS-JGCGQSQUSA-N 1 0 480.078 3.734 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001313522955 1070593332 /nfs/dbraw/zinc/59/33/32/1070593332.db2.gz LKUICDYBTSTDBQ-XMMPIXPASA-N 1 0 484.689 3.939 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@@H+]2CC)n1 ZINC001314583075 1070597878 /nfs/dbraw/zinc/59/78/78/1070597878.db2.gz OODFVDAXZYFIQN-ROUUACIJSA-N 1 0 470.647 3.966 20 0 JHADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cc(Br)c(Cl)cc2C)CC1 ZINC001309197059 1070598473 /nfs/dbraw/zinc/59/84/73/1070598473.db2.gz LZPVJRJIHTWCLA-UHFFFAOYSA-N 1 0 453.830 3.579 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(-c3ccc[nH]3)n2CC2(SC)CC[NH+](C)CC2)n1 ZINC001314584942 1070603977 /nfs/dbraw/zinc/60/39/77/1070603977.db2.gz VQYLZCUMWNQNCJ-MRXNPFEDSA-N 1 0 490.703 3.934 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001313529359 1070609465 /nfs/dbraw/zinc/60/94/65/1070609465.db2.gz RPRAUVFTGKXSAS-XPWALMASSA-N 1 0 468.646 3.626 20 0 JHADRO O=S(=O)(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccc2ncsc2c1 ZINC001309214512 1070613792 /nfs/dbraw/zinc/61/37/92/1070613792.db2.gz SWYCSQXNPCPOIJ-UHFFFAOYSA-N 1 0 452.001 3.771 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)[NH+](C)C)C1 ZINC001314590000 1070617672 /nfs/dbraw/zinc/61/76/72/1070617672.db2.gz UZYDDIZYXRIAKD-FFZOFVMBSA-N 1 0 479.094 3.922 20 0 JHADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(F)cc1C ZINC001309221272 1070621070 /nfs/dbraw/zinc/62/10/70/1070621070.db2.gz YNUZOHIYWOBLDK-MGPUTAFESA-N 1 0 454.589 3.734 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001314592365 1070624640 /nfs/dbraw/zinc/62/46/40/1070624640.db2.gz DIMGUCLDQMHUEE-JSXRDJHFSA-N 1 0 456.660 3.643 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(C3CCCC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001314595554 1070635838 /nfs/dbraw/zinc/63/58/38/1070635838.db2.gz NUJRNGPLKYNPPK-BDTNDASRSA-N 1 0 476.735 3.989 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001314599672 1070647984 /nfs/dbraw/zinc/64/79/84/1070647984.db2.gz WRVHSOJDORRELH-ACIOBRDBSA-N 1 0 472.703 3.875 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001314603598 1070658560 /nfs/dbraw/zinc/65/85/60/1070658560.db2.gz MBPCCJIIYFJKIT-PZJWPPBQSA-N 1 0 483.748 3.557 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001313547256 1070659131 /nfs/dbraw/zinc/65/91/31/1070659131.db2.gz WBVVDEXVXVPZQB-GGAORHGYSA-N 1 0 497.688 3.974 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001314604988 1070661145 /nfs/dbraw/zinc/66/11/45/1070661145.db2.gz VPCKKXPBAWXTEP-OFNKIYASSA-N 1 0 460.717 3.813 20 0 JHADRO CC[C@@H](NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)c1noc(C)n1 ZINC001309274249 1070661220 /nfs/dbraw/zinc/66/12/20/1070661220.db2.gz IGBJLMLQUFEFFP-BHDDXSALSA-N 1 0 458.559 3.556 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(CN3CCCC3=O)n2CCC2CC[NH+](CC)CC2)C1 ZINC001314608892 1070669683 /nfs/dbraw/zinc/66/96/83/1070669683.db2.gz UJAWTFRKEBFWEI-NRFANRHFSA-N 1 0 462.708 3.635 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCCC2)C1 ZINC001314609284 1070670265 /nfs/dbraw/zinc/67/02/65/1070670265.db2.gz WHWVMHIHLGQSIW-IBGZPJMESA-N 1 0 476.716 3.868 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001314606697 1070664603 /nfs/dbraw/zinc/66/46/03/1070664603.db2.gz GVXMXOLQAKJSCE-RTWAWAEBSA-N 1 0 462.708 3.633 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@H]3CCCO3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001314607072 1070665525 /nfs/dbraw/zinc/66/55/25/1070665525.db2.gz JKNWUZCRCBSDBY-FGZHOGPDSA-N 1 0 464.724 3.515 20 0 JHADRO CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001313562240 1070679995 /nfs/dbraw/zinc/67/99/95/1070679995.db2.gz WPGYYFUXHQLEOH-RXVVDRJESA-N 1 0 473.668 3.949 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC3(C2)CCCCC3)c1 ZINC001313571692 1070686104 /nfs/dbraw/zinc/68/61/04/1070686104.db2.gz DDUPVGMXRLOJSL-HXUWFJFHSA-N 1 0 488.702 3.549 20 0 JHADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)c2ccccc2O1 ZINC001309308464 1070687380 /nfs/dbraw/zinc/68/73/80/1070687380.db2.gz DDYYAZLYUYJQDP-CYBMUJFWSA-N 1 0 451.342 3.713 20 0 JHADRO CCSCCCn1c(-c2cnccn2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001314617887 1070690261 /nfs/dbraw/zinc/69/02/61/1070690261.db2.gz LZJVAWDFQFSQKM-IBGZPJMESA-N 1 0 467.643 3.770 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(N3C[C@@H](C)OC(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001313576243 1070692780 /nfs/dbraw/zinc/69/27/80/1070692780.db2.gz XDFAPWPYMURQMF-ZBLYBZFDSA-N 1 0 485.673 3.822 20 0 JHADRO CN(C(=O)Cn1c(N2CC[NH+](CCc3cccs3)CC2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314621249 1070700762 /nfs/dbraw/zinc/70/07/62/1070700762.db2.gz PHQXFWCSDRVZAI-UHFFFAOYSA-N 1 0 472.703 3.793 20 0 JHADRO Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1Cl ZINC001309323809 1070699332 /nfs/dbraw/zinc/69/93/32/1070699332.db2.gz YZYZONDVPMAHJU-HKUYNNGSSA-N 1 0 457.423 3.772 20 0 JHADRO CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313583587 1070706595 /nfs/dbraw/zinc/70/65/95/1070706595.db2.gz UIRKTORVJRMYRU-WIYYLYMNSA-N 1 0 480.078 3.732 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC[NH+]2CCCCCC2)C1 ZINC001314624174 1070708662 /nfs/dbraw/zinc/70/86/62/1070708662.db2.gz NWWBSJXPKNPTCT-HXUWFJFHSA-N 1 0 469.634 3.662 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313588235 1070715507 /nfs/dbraw/zinc/71/55/07/1070715507.db2.gz RWJWYJWAYQUJPE-PMACEKPBSA-N 1 0 480.078 3.732 20 0 JHADRO CCN(c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@@H+](C(C)C)C1)C(C)C ZINC001313599688 1070724064 /nfs/dbraw/zinc/72/40/64/1070724064.db2.gz XCDCPWKCOMZKRJ-LJQANCHMSA-N 1 0 451.619 3.547 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N(C)Cc2ccccc2Cl)nnc1C(C)(C)C ZINC001314628752 1070724780 /nfs/dbraw/zinc/72/47/80/1070724780.db2.gz KPMQDYIEXSOOLG-HXUWFJFHSA-N 1 0 461.054 3.808 20 0 JHADRO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1)[C@H](C)C1CCC1 ZINC001313603031 1070726047 /nfs/dbraw/zinc/72/60/47/1070726047.db2.gz DWVOCEAZQUAUDO-RZUBCFFCSA-N 1 0 465.708 3.563 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(Cc2ccsc2)nnc1N(C)C1CCCCC1 ZINC001314629641 1070728321 /nfs/dbraw/zinc/72/83/21/1070728321.db2.gz QTYOSQLXBWNASU-NRFANRHFSA-N 1 0 458.676 3.642 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1F ZINC001314629729 1070728850 /nfs/dbraw/zinc/72/88/50/1070728850.db2.gz SQVDBNIRHQPLRG-JOCHJYFZSA-N 1 0 484.645 3.649 20 0 JHADRO COC(=O)[C@@H]1CCCCCN1S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309389171 1070740068 /nfs/dbraw/zinc/74/00/68/1070740068.db2.gz AKDXRNLNQSWNRZ-KMDXXIMOSA-N 1 0 474.598 3.541 20 0 JHADRO CN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccco1)[NH+](C)C)[C@H]1CCSC1 ZINC001314647260 1070749513 /nfs/dbraw/zinc/74/95/13/1070749513.db2.gz OZFATFQPAPUQES-RDJZCZTQSA-N 1 0 479.448 3.884 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCSC(C)(C)C1)c1cccs1 ZINC001314647002 1070748111 /nfs/dbraw/zinc/74/81/11/1070748111.db2.gz IZSBNBOBQCTJHX-INIZCTEOSA-N 1 0 471.656 3.622 20 0 JHADRO CN(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1c(F)cccc1F ZINC001314648223 1070751817 /nfs/dbraw/zinc/75/18/17/1070751817.db2.gz FFPPNPFOHXCZLP-HXUWFJFHSA-N 1 0 457.573 3.775 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccccc1 ZINC001314648544 1070752291 /nfs/dbraw/zinc/75/22/91/1070752291.db2.gz GXVJTVYQSXERAI-QUCCMNQESA-N 1 0 475.519 3.586 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1cccc(F)c1 ZINC001314648477 1070752465 /nfs/dbraw/zinc/75/24/65/1070752465.db2.gz GCOORLSKQCBLQB-IRLDBZIGSA-N 1 0 481.620 3.846 20 0 JHADRO CCN(CC(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001313624261 1070753054 /nfs/dbraw/zinc/75/30/54/1070753054.db2.gz NQACAMYXERISIS-QHCPKHFHSA-N 1 0 452.647 3.561 20 0 JHADRO Cn1cccc1-c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314648653 1070752997 /nfs/dbraw/zinc/75/29/97/1070752997.db2.gz MNOFLJKNVNPFRW-FGZHOGPDSA-N 1 0 454.594 3.977 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001314649079 1070754259 /nfs/dbraw/zinc/75/42/59/1070754259.db2.gz RGWLJHCPKSACGA-NZQKXSOJSA-N 1 0 491.677 3.998 20 0 JHADRO Cn1cc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)cn1 ZINC001314649169 1070754815 /nfs/dbraw/zinc/75/48/15/1070754815.db2.gz LGOFOTANBVGTDD-QFIPXVFZSA-N 1 0 469.609 3.905 20 0 JHADRO CCN(C1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1)S(C)(=O)=O ZINC001313626934 1070756089 /nfs/dbraw/zinc/75/60/89/1070756089.db2.gz MBJRJRONXFFCKM-NRFANRHFSA-N 1 0 496.766 3.772 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001314649848 1070757438 /nfs/dbraw/zinc/75/74/38/1070757438.db2.gz DYWRTXFGOLQGGJ-BAGYTPMASA-N 1 0 490.693 3.644 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(SC)CC[NH+](C)CC1 ZINC001313629297 1070759853 /nfs/dbraw/zinc/75/98/53/1070759853.db2.gz AELPZBKQTRNVCP-UHFFFAOYSA-N 1 0 493.747 3.548 20 0 JHADRO CCN(CC(C)C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001313631859 1070762556 /nfs/dbraw/zinc/76/25/56/1070762556.db2.gz VCQVVAHWFJJXJT-FQEVSTJZSA-N 1 0 480.723 3.924 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3F)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CCCC1 ZINC001314653930 1070767079 /nfs/dbraw/zinc/76/70/79/1070767079.db2.gz RLXRKWIIVXRUNV-UHFFFAOYSA-N 1 0 486.533 3.981 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC001314654049 1070767626 /nfs/dbraw/zinc/76/76/26/1070767626.db2.gz VCSKXWOKGFRIOX-HXUWFJFHSA-N 1 0 454.619 3.923 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001314654155 1070767682 /nfs/dbraw/zinc/76/76/82/1070767682.db2.gz WJHVCJAKJVKCAL-SFHVURJKSA-N 1 0 490.052 3.971 20 0 JHADRO Cc1cnn(-c2ccc(S(=O)(=O)N[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cc2F)c1 ZINC001309435471 1070767833 /nfs/dbraw/zinc/76/78/33/1070767833.db2.gz JMDXRUNZJKLEDH-QHCPKHFHSA-N 1 0 456.587 3.899 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1)c1cccs1 ZINC001314656563 1070775676 /nfs/dbraw/zinc/77/56/76/1070775676.db2.gz PXLGJMJMQMWMJX-VQTJNVASSA-N 1 0 472.703 3.974 20 0 JHADRO C[NH+](C)C1(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CCCCC1 ZINC001314657036 1070775786 /nfs/dbraw/zinc/77/57/86/1070775786.db2.gz SIMFHXOURGZOJN-SFHVURJKSA-N 1 0 471.568 3.784 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccco1 ZINC001314654739 1070770374 /nfs/dbraw/zinc/77/03/74/1070770374.db2.gz LNZMQWDLIXUONS-AZUAARDMSA-N 1 0 479.503 3.563 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1)c1cccc(F)c1 ZINC001314654815 1070770432 /nfs/dbraw/zinc/77/04/32/1070770432.db2.gz HZLXLICIIKWSJR-VXKWHMMOSA-N 1 0 470.637 3.900 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001313636247 1070772290 /nfs/dbraw/zinc/77/22/90/1070772290.db2.gz KBDLXSOVOWJGAF-UHFFFAOYSA-N 1 0 468.646 3.667 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001314655783 1070773487 /nfs/dbraw/zinc/77/34/87/1070773487.db2.gz NEPWFVNWWMEZCE-DHIUTWEWSA-N 1 0 497.688 3.878 20 0 JHADRO C[NH+](C)C1(Cn2c(N3CCC([C@H](O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CCOCC1 ZINC001314657350 1070776413 /nfs/dbraw/zinc/77/64/13/1070776413.db2.gz AEGRPUMWLINALT-JOCHJYFZSA-N 1 0 473.637 3.776 20 0 JHADRO C[NH+](C)C1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](CC(N)=O)C2)CCCCC1 ZINC001314660350 1070783762 /nfs/dbraw/zinc/78/37/62/1070783762.db2.gz OFQFSPRFTAHUPG-KCZVDYSFSA-N 1 0 474.694 3.553 20 0 JHADRO Cn1cc(Nc2nnc(-c3cc(F)ccc3Br)n2C[C@]2([NH+](C)C)CCSC2)cn1 ZINC001314660311 1070783769 /nfs/dbraw/zinc/78/37/69/1070783769.db2.gz NCYROVRIGIBYBI-LJQANCHMSA-N 1 0 480.411 3.761 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001313640001 1070783934 /nfs/dbraw/zinc/78/39/34/1070783934.db2.gz OGFWOEXFVPPURX-JOCHJYFZSA-N 1 0 467.662 3.689 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313640160 1070784461 /nfs/dbraw/zinc/78/44/61/1070784461.db2.gz LXCZGMZXVHEYGW-GIFXNVAJSA-N 1 0 496.700 3.750 20 0 JHADRO Cc1ccc(CN(C)S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)nc1 ZINC001309467307 1070788520 /nfs/dbraw/zinc/78/85/20/1070788520.db2.gz QBSLXLAYXIYQOH-LOSJGSFVSA-N 1 0 453.583 3.959 20 0 JHADRO CN(CCn1cccn1)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)C[NH+](C)C ZINC001314662513 1070789839 /nfs/dbraw/zinc/78/98/39/1070789839.db2.gz GISVQNBKZVUPOE-UHFFFAOYSA-N 1 0 478.414 3.767 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001314663241 1070791288 /nfs/dbraw/zinc/79/12/88/1070791288.db2.gz QECVKJATEQPTHD-GOSISDBHSA-N 1 0 495.499 3.998 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(Cc2csc(C)n2)n1CC[N@@H+]1CCC[C@H]1C ZINC001313640785 1070786209 /nfs/dbraw/zinc/78/62/09/1070786209.db2.gz TYMWEDWHRJNCKZ-XXBNENTESA-N 1 0 468.671 3.986 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CCCO)CC1 ZINC001314664649 1070795622 /nfs/dbraw/zinc/79/56/22/1070795622.db2.gz DKVRPNQCYIGUPA-UHFFFAOYSA-N 1 0 465.646 3.708 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001314665242 1070796562 /nfs/dbraw/zinc/79/65/62/1070796562.db2.gz FRLMAZXDXWWMIQ-UHFFFAOYSA-N 1 0 470.637 3.577 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC001314665799 1070797802 /nfs/dbraw/zinc/79/78/02/1070797802.db2.gz QXCDEELTEYXOEZ-UHFFFAOYSA-N 1 0 462.642 3.750 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001314666377 1070799038 /nfs/dbraw/zinc/79/90/38/1070799038.db2.gz PIJLZYNUMDGKTK-ROUUACIJSA-N 1 0 480.034 3.926 20 0 JHADRO O=C(OCc1ccc(Br)cc1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001309483328 1070798999 /nfs/dbraw/zinc/79/89/99/1070798999.db2.gz FRDAGJCJEZLRIG-JOCHJYFZSA-N 1 0 458.400 3.978 20 0 JHADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2cccc(Oc3ccc4ccccc4c3)c2)CC1 ZINC001309484626 1070799895 /nfs/dbraw/zinc/79/98/95/1070799895.db2.gz JJAOUZRMCRBXJV-UHFFFAOYSA-N 1 0 453.608 3.689 20 0 JHADRO C[NH+](C)CCCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC001314668050 1070803006 /nfs/dbraw/zinc/80/30/06/1070803006.db2.gz YXBPTCWYXRHGQS-XMMPIXPASA-N 1 0 478.641 3.970 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC001314667870 1070803236 /nfs/dbraw/zinc/80/32/36/1070803236.db2.gz WWHMCBZQRMMACS-QHCPKHFHSA-N 1 0 475.641 3.581 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(Cc2cccnc2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667855 1070803291 /nfs/dbraw/zinc/80/32/91/1070803291.db2.gz WHQHYYCCFJXIOK-UHFFFAOYSA-N 1 0 498.557 3.763 20 0 JHADRO CN(Cc1ccon1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001314668563 1070805119 /nfs/dbraw/zinc/80/51/19/1070805119.db2.gz KMEMCFSLYUMKCI-UHFFFAOYSA-N 1 0 467.961 3.607 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(C2CC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001314668991 1070805932 /nfs/dbraw/zinc/80/59/32/1070805932.db2.gz WWVLFEHFFJMMPY-UHFFFAOYSA-N 1 0 459.038 3.749 20 0 JHADRO CN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCC[NH+](C)C)c1)C1CCCCC1 ZINC001314669118 1070806872 /nfs/dbraw/zinc/80/68/72/1070806872.db2.gz WPTKBJSMXYCCQM-UHFFFAOYSA-N 1 0 477.613 3.683 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(N2CCO[C@H](c3nccs3)C2)nnc1C(C)(C)C ZINC001314669202 1070807431 /nfs/dbraw/zinc/80/74/31/1070807431.db2.gz XTCXSKKGXVJOKL-FQEVSTJZSA-N 1 0 470.643 3.599 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(Cc3ccsc3)nnc2N(C)Cc2cccs2)CC1 ZINC001314669376 1070807795 /nfs/dbraw/zinc/80/77/95/1070807795.db2.gz CXHQFLHALCRTKZ-UHFFFAOYSA-N 1 0 458.701 3.902 20 0 JHADRO CN(c1nnc(-c2ccc(Cl)nc2)n1CCOCC[NH+](C)C)[C@@H]1CCCN(c2ccccc2)C1 ZINC001314669550 1070808203 /nfs/dbraw/zinc/80/82/03/1070808203.db2.gz BNRZLROXKAZWJD-JOCHJYFZSA-N 1 0 484.048 3.677 20 0 JHADRO CN(C[C@H]1CCCO1)c1nnc(-c2ccc(Br)cc2Cl)n1CCOCC[NH+](C)C ZINC001314669533 1070808728 /nfs/dbraw/zinc/80/87/28/1070808728.db2.gz BHBTUZDGMWDAIL-MRXNPFEDSA-N 1 0 486.842 3.554 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001314670001 1070810522 /nfs/dbraw/zinc/81/05/22/1070810522.db2.gz MKDCZAIBPUUZIT-HXUWFJFHSA-N 1 0 493.071 3.875 20 0 JHADRO Cn1cc(Nc2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OCCC[NH+](C)C)cc2)cn1 ZINC001314670182 1070811335 /nfs/dbraw/zinc/81/13/35/1070811335.db2.gz NXUITJIRDKIRQM-UHFFFAOYSA-N 1 0 499.417 3.892 20 0 JHADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313647301 1070811420 /nfs/dbraw/zinc/81/14/20/1070811420.db2.gz JQGYDYFQQRSYGL-DEOSSOPVSA-N 1 0 495.716 3.590 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc[nH]2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001314670664 1070812472 /nfs/dbraw/zinc/81/24/72/1070812472.db2.gz NIFNNSOVMJEYDO-UHFFFAOYSA-N 1 0 458.010 3.586 20 0 JHADRO Cn1cc(Nc2nnc(-c3cc(Br)cn3C)n2Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC001314670996 1070813402 /nfs/dbraw/zinc/81/34/02/1070813402.db2.gz IPRAYAPMBKCXBK-UHFFFAOYSA-N 1 0 499.417 3.512 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(N3CC[C@H](C4CCOCC4)C3)nnc2C(C)(C)C)cc1 ZINC001314672020 1070816674 /nfs/dbraw/zinc/81/66/74/1070816674.db2.gz OUNJKAJRAFZPRQ-QFIPXVFZSA-N 1 0 455.647 3.817 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOCC2(CCC2)C1 ZINC001313651633 1070827585 /nfs/dbraw/zinc/82/75/85/1070827585.db2.gz ICPUVYUJFSKMAO-IBGZPJMESA-N 1 0 489.064 3.599 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC001313651542 1070826579 /nfs/dbraw/zinc/82/65/79/1070826579.db2.gz GEXLRAFUFUNAFQ-VQIMIIECSA-N 1 0 461.680 3.604 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1nccs1 ZINC001313652679 1070830955 /nfs/dbraw/zinc/83/09/55/1070830955.db2.gz XKFPJJOPXGVZLI-SFHVURJKSA-N 1 0 455.632 3.970 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(OC)C1 ZINC001313652802 1070831054 /nfs/dbraw/zinc/83/10/54/1070831054.db2.gz YYVRALWDNOKETB-CPJSRVTESA-N 1 0 456.635 3.883 20 0 JHADRO CN(c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCSCC1)C1CCCCC1 ZINC001314680394 1070831567 /nfs/dbraw/zinc/83/15/67/1070831567.db2.gz MCBPNCPPTBISBZ-UHFFFAOYSA-N 1 0 453.454 3.853 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001313653119 1070832181 /nfs/dbraw/zinc/83/21/81/1070832181.db2.gz MMRQCYLXLVDHAH-NRFANRHFSA-N 1 0 483.592 3.564 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)C(C)C)CC1 ZINC001313654437 1070838539 /nfs/dbraw/zinc/83/85/39/1070838539.db2.gz LPFRSHMNUCFWEE-UHFFFAOYSA-N 1 0 480.032 3.662 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001313653316 1070833154 /nfs/dbraw/zinc/83/31/54/1070833154.db2.gz AACDBADEDFPLSF-NLFFAJNJSA-N 1 0 461.699 3.670 20 0 JHADRO C[C@@H]1CN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C[C@H](C)N1C ZINC001309543608 1070842252 /nfs/dbraw/zinc/84/22/52/1070842252.db2.gz PFBGMCMYUHTTJJ-WJHCDBIXSA-N 1 0 462.059 3.662 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313655383 1070844303 /nfs/dbraw/zinc/84/43/03/1070844303.db2.gz WLSHNVBVOGFQNH-VXKWHMMOSA-N 1 0 497.688 3.658 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001313655846 1070847564 /nfs/dbraw/zinc/84/75/64/1070847564.db2.gz ADTSMCDVHJBQAL-OALUTQOASA-N 1 0 474.625 3.735 20 0 JHADRO CC(C)[C@@H](NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)C1(CO)CCC1 ZINC001309549951 1070849211 /nfs/dbraw/zinc/84/92/11/1070849211.db2.gz VYJRAQRVLBXMNO-ISJGIBHGSA-N 1 0 474.642 3.900 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1C(C)C ZINC001313656290 1070849770 /nfs/dbraw/zinc/84/97/70/1070849770.db2.gz AQRLWPFIPAAXDS-UGKGYDQZSA-N 1 0 476.691 3.551 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001313656299 1070849893 /nfs/dbraw/zinc/84/98/93/1070849893.db2.gz AUFRNTWJPVMUDE-KZNAEPCWSA-N 1 0 461.632 3.679 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001313657353 1070855268 /nfs/dbraw/zinc/85/52/68/1070855268.db2.gz QFFRGAUUTOSYLT-ZWKOTPCHSA-N 1 0 468.577 3.951 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H]1C(C)C ZINC001313657578 1070855991 /nfs/dbraw/zinc/85/59/91/1070855991.db2.gz SHOFNBNOKARKCS-ICSRJNTNSA-N 1 0 475.707 3.902 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001313657804 1070856815 /nfs/dbraw/zinc/85/68/15/1070856815.db2.gz VENFUEMSJQJPDX-SFHVURJKSA-N 1 0 490.599 3.868 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC2(CCCC2)C1 ZINC001313658026 1070858168 /nfs/dbraw/zinc/85/81/68/1070858168.db2.gz WTPLEPICHYQNBW-KRWDZBQOSA-N 1 0 479.467 3.926 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313658066 1070858307 /nfs/dbraw/zinc/85/83/07/1070858307.db2.gz WZTATUQDZNFXMO-VQTJNVASSA-N 1 0 463.630 3.589 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313658636 1070860444 /nfs/dbraw/zinc/86/04/44/1070860444.db2.gz SKQYSWXYZBNSPL-KRWDZBQOSA-N 1 0 477.053 3.690 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001313658846 1070861278 /nfs/dbraw/zinc/86/12/78/1070861278.db2.gz CSBWBENAHRUKPN-WBVHZDCISA-N 1 0 462.023 3.758 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC001313659037 1070861454 /nfs/dbraw/zinc/86/14/54/1070861454.db2.gz HALLKDRZFSEIIR-REWPJTCUSA-N 1 0 450.635 3.514 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc3cccnc32)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001313659830 1070864195 /nfs/dbraw/zinc/86/41/95/1070864195.db2.gz LPAKQBBMUDSUOI-SFHVURJKSA-N 1 0 475.563 3.908 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313659131 1070862120 /nfs/dbraw/zinc/86/21/20/1070862120.db2.gz DYFBWJCQKXZJKC-AQNXPRMDSA-N 1 0 463.070 3.874 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313659132 1070862284 /nfs/dbraw/zinc/86/22/84/1070862284.db2.gz DYFBWJCQKXZJKC-SLFFLAALSA-N 1 0 463.070 3.874 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001313659399 1070862851 /nfs/dbraw/zinc/86/28/51/1070862851.db2.gz JISDGRZSMHKMHW-VQTJNVASSA-N 1 0 453.610 3.868 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001313659397 1070862937 /nfs/dbraw/zinc/86/29/37/1070862937.db2.gz JISDGRZSMHKMHW-PMACEKPBSA-N 1 0 453.610 3.868 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001313660775 1070867018 /nfs/dbraw/zinc/86/70/18/1070867018.db2.gz VODRUCIKNUAIGL-QGZVFWFLSA-N 1 0 496.578 3.579 20 0 JHADRO CCn1nc(-c2nnc(N3CCCCCC3)n2C[C@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313660856 1070867107 /nfs/dbraw/zinc/86/71/07/1070867107.db2.gz AJCAPADFSJQZKY-IBGZPJMESA-N 1 0 451.619 3.786 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001313661269 1070867303 /nfs/dbraw/zinc/86/73/03/1070867303.db2.gz WHGTYPLEKKCMRZ-GCOVDLRRSA-N 1 0 484.645 3.787 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001313661268 1070867385 /nfs/dbraw/zinc/86/73/85/1070867385.db2.gz WHGTYPLEKKCMRZ-FXABVQRQSA-N 1 0 484.645 3.787 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001313661096 1070867528 /nfs/dbraw/zinc/86/75/28/1070867528.db2.gz WNSNKIOFTZVNEZ-SFHVURJKSA-N 1 0 467.618 3.934 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001313661056 1070867745 /nfs/dbraw/zinc/86/77/45/1070867745.db2.gz CISKLCASCBJKQU-INIZCTEOSA-N 1 0 466.615 3.726 20 0 JHADRO CN(c1nnc(CN2CCCC2=O)n1CCSC(F)(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314702567 1070869606 /nfs/dbraw/zinc/86/96/06/1070869606.db2.gz NYDCUKHNPYSBJO-IBGZPJMESA-N 1 0 496.603 3.754 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001313661896 1070869723 /nfs/dbraw/zinc/86/97/23/1070869723.db2.gz KHBJJEFKVHPOAK-SJORKVTESA-N 1 0 454.575 3.639 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC001313663770 1070873503 /nfs/dbraw/zinc/87/35/03/1070873503.db2.gz HRYLXOBFBAWWFD-ISKFKSNPSA-N 1 0 492.672 3.617 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001313663825 1070874385 /nfs/dbraw/zinc/87/43/85/1070874385.db2.gz KSTXNEPDZYAMGZ-UGKGYDQZSA-N 1 0 486.636 3.571 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)=C(Br)C1 ZINC001313664285 1070875732 /nfs/dbraw/zinc/87/57/32/1070875732.db2.gz ADGRMXJASGFBJA-MRXNPFEDSA-N 1 0 495.491 3.879 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(F)F)C1)c1ccccc1 ZINC001313664634 1070877537 /nfs/dbraw/zinc/87/75/37/1070877537.db2.gz NLKSDEOZBKDGCW-PMACEKPBSA-N 1 0 462.589 3.981 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001313665587 1070881118 /nfs/dbraw/zinc/88/11/18/1070881118.db2.gz FWCBRNDWHIONEZ-WOZUAGRISA-N 1 0 476.666 3.696 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccccc2F)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314708070 1070880077 /nfs/dbraw/zinc/88/00/77/1070880077.db2.gz FWRWXZPBCGAFMS-OAQYLSRUSA-N 1 0 488.652 3.858 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001313665915 1070881733 /nfs/dbraw/zinc/88/17/33/1070881733.db2.gz DXMCUSITIRDFAJ-XGAJZPNHSA-N 1 0 471.646 3.700 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001313665963 1070881912 /nfs/dbraw/zinc/88/19/12/1070881912.db2.gz FPEWCEJXFMMHGU-OHUGHZGNSA-N 1 0 476.666 3.697 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001313666136 1070882439 /nfs/dbraw/zinc/88/24/39/1070882439.db2.gz HJPXERIXFKAOEP-GOSISDBHSA-N 1 0 458.651 3.897 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001313665968 1070882458 /nfs/dbraw/zinc/88/24/58/1070882458.db2.gz FPIRCVKHEIKEGV-JLGINSKQSA-N 1 0 462.038 3.697 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)C1)c1ccco1 ZINC001313666460 1070884305 /nfs/dbraw/zinc/88/43/05/1070884305.db2.gz XBUXQLVPHKXKNC-FGZHOGPDSA-N 1 0 494.640 3.989 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314709732 1070885728 /nfs/dbraw/zinc/88/57/28/1070885728.db2.gz HRYOGGNPOWEPIO-FQEVSTJZSA-N 1 0 490.624 3.862 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001313667029 1070886958 /nfs/dbraw/zinc/88/69/58/1070886958.db2.gz ZXELPUGXHBLDJF-MHADKKCISA-N 1 0 492.064 3.964 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1cnn(C)c1)c1ccccc1 ZINC001313666987 1070887428 /nfs/dbraw/zinc/88/74/28/1070887428.db2.gz ZGQOGBOGTFGNTM-GOTSBHOMSA-N 1 0 478.645 3.574 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001313668160 1070891266 /nfs/dbraw/zinc/89/12/66/1070891266.db2.gz NLMRRYRZGPVBDS-TZIWHRDSSA-N 1 0 459.610 3.858 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001313668358 1070891303 /nfs/dbraw/zinc/89/13/03/1070891303.db2.gz PRVDRRDMYVJTOI-HKUYNNGSSA-N 1 0 464.705 3.578 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001313669519 1070894723 /nfs/dbraw/zinc/89/47/23/1070894723.db2.gz DFMBUZNEYLULRG-NQIIRXRSSA-N 1 0 467.618 3.683 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001313669686 1070894886 /nfs/dbraw/zinc/89/48/86/1070894886.db2.gz XLMYQSVXTWWKLY-SIKLNZKXSA-N 1 0 451.619 3.983 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](COC)C1)c1ccsc1 ZINC001313671451 1070899519 /nfs/dbraw/zinc/89/95/19/1070899519.db2.gz JPRILVUBKFVKPH-RXVVDRJESA-N 1 0 457.648 3.686 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C ZINC001313669981 1070896241 /nfs/dbraw/zinc/89/62/41/1070896241.db2.gz XJTGQVPAJXLXAW-GOSISDBHSA-N 1 0 461.054 3.922 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001313670305 1070897007 /nfs/dbraw/zinc/89/70/07/1070897007.db2.gz HDYLCPCREWTNDU-QGZVFWFLSA-N 1 0 461.536 3.946 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCSC(C)(C)C1)c1ccccc1 ZINC001313670826 1070898290 /nfs/dbraw/zinc/89/82/90/1070898290.db2.gz CIRHRQGTDRWMEI-WOJBJXKFSA-N 1 0 456.660 3.644 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 ZINC001313670958 1070898617 /nfs/dbraw/zinc/89/86/17/1070898617.db2.gz FQSFWMGRQKWFOX-XMMPIXPASA-N 1 0 490.656 3.513 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccn2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)c1ccccc1 ZINC001313672214 1070903179 /nfs/dbraw/zinc/90/31/79/1070903179.db2.gz FNQNCZUFTDKXDS-WIOPSUGQSA-N 1 0 477.657 3.671 20 0 JHADRO CN(CC(C)(C)C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCCN1CCCCC1=O ZINC001314714919 1070905123 /nfs/dbraw/zinc/90/51/23/1070905123.db2.gz AMHPLTZMCDRHME-UHFFFAOYSA-N 1 0 495.716 3.528 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCO[C@@H](C)C1)c1ccccc1 ZINC001313674075 1070909871 /nfs/dbraw/zinc/90/98/71/1070909871.db2.gz IFKOVFFGBHITAD-BIHRQFPBSA-N 1 0 471.646 3.700 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 ZINC001313672927 1070905801 /nfs/dbraw/zinc/90/58/01/1070905801.db2.gz QBTPZEGRLCRBDA-RPWUZVMVSA-N 1 0 482.673 3.608 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCO[C@H](C)C1)c1ccccc1 ZINC001313674079 1070909986 /nfs/dbraw/zinc/90/99/86/1070909986.db2.gz IFKOVFFGBHITAD-ONTLXTELSA-N 1 0 471.646 3.700 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C)c1ccco1 ZINC001313673141 1070906289 /nfs/dbraw/zinc/90/62/89/1070906289.db2.gz CNCXPFDFADUPTD-DENIHFKCSA-N 1 0 498.603 3.729 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CC(N)=O)C1)c1ccsc1 ZINC001313673643 1070907897 /nfs/dbraw/zinc/90/78/97/1070907897.db2.gz KNEZXENBCYYTLU-WIYYLYMNSA-N 1 0 469.659 3.520 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCN(CC(F)(F)C(F)F)CC1)c1ccsc1 ZINC001313673795 1070908496 /nfs/dbraw/zinc/90/84/96/1070908496.db2.gz LMFFIUUHKCLNGG-KRWDZBQOSA-N 1 0 462.561 3.754 20 0 JHADRO CN(Cc1c(F)cccc1Cl)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314719819 1070913426 /nfs/dbraw/zinc/91/34/26/1070913426.db2.gz LVFHXXRZHQZTNG-IBGZPJMESA-N 1 0 471.968 3.695 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccco1 ZINC001313675219 1070914864 /nfs/dbraw/zinc/91/48/64/1070914864.db2.gz YHQATRVOEBBTEI-RBUKOAKNSA-N 1 0 471.993 3.590 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCOC1)c1ccsc1 ZINC001313675523 1070916635 /nfs/dbraw/zinc/91/66/35/1070916635.db2.gz PARRJWHNZMOKAR-RTWAWAEBSA-N 1 0 457.648 3.509 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[NH+]1CCCC1 ZINC001314721211 1070917858 /nfs/dbraw/zinc/91/78/58/1070917858.db2.gz LQVDZRNXEOXDKQ-UHFFFAOYSA-N 1 0 488.423 3.642 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc([C@H]2CCCCO2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314723142 1070923111 /nfs/dbraw/zinc/92/31/11/1070923111.db2.gz MUJDVQDWIARCSJ-NQIIRXRSSA-N 1 0 451.040 3.642 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313677425 1070925337 /nfs/dbraw/zinc/92/53/37/1070925337.db2.gz KKHHWPNXQPLZJP-QHCPKHFHSA-N 1 0 493.656 3.635 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(Cc2ccncc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314724806 1070927091 /nfs/dbraw/zinc/92/70/91/1070927091.db2.gz RMSJDTRVZKHBMO-HSZRJFAPSA-N 1 0 476.572 3.755 20 0 JHADRO CCN(CC)c1ccc(Cn2c(COc3ccccc3F)nnc2N2CC[N@H+](CC)[C@@H](C)C2)cn1 ZINC001313678658 1070930891 /nfs/dbraw/zinc/93/08/91/1070930891.db2.gz JHKLBWGOPAWGFK-FQEVSTJZSA-N 1 0 481.620 3.816 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@](C)(OC)C1)c1ccco1 ZINC001313678913 1070933303 /nfs/dbraw/zinc/93/33/03/1070933303.db2.gz PGFWMLISZCANAF-PXDATVDWSA-N 1 0 452.603 3.945 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1)c1ccccc1 ZINC001313680239 1070938267 /nfs/dbraw/zinc/93/82/67/1070938267.db2.gz SHRMBGWRSPXUPG-NVQXNPDNSA-N 1 0 455.647 3.946 20 0 JHADRO CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001313681049 1070940438 /nfs/dbraw/zinc/94/04/38/1070940438.db2.gz SISKRGRMSIWUBD-HXUWFJFHSA-N 1 0 463.586 3.617 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc([C@@H]2CCCOC2)n1CCCC[NH+]1CCOCC1 ZINC001314727299 1070937345 /nfs/dbraw/zinc/93/73/45/1070937345.db2.gz NTRWMIDTZYXWLW-HXUWFJFHSA-N 1 0 492.462 3.683 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc(-c2cnccn2)n1CCC[NH+]1CCCC1 ZINC001314728008 1070940252 /nfs/dbraw/zinc/94/02/52/1070940252.db2.gz VFNAPLZOHDHMKG-UHFFFAOYSA-N 1 0 456.392 3.620 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@@H]2CCOC2)n1CCC[NH+]1CCCC1 ZINC001314729593 1070944585 /nfs/dbraw/zinc/94/45/85/1070944585.db2.gz LSSNRZQKAPTZBE-OAHLLOKOSA-N 1 0 454.438 3.728 20 0 JHADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1sc2ccccc2c1Cl ZINC001309728025 1070942003 /nfs/dbraw/zinc/94/20/03/1070942003.db2.gz NHWXKBWMNGCKSO-OAQYLSRUSA-N 1 0 451.013 3.812 20 0 JHADRO CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001313685179 1070946280 /nfs/dbraw/zinc/94/62/80/1070946280.db2.gz ACEYBIATMIKAKE-INIZCTEOSA-N 1 0 466.424 3.531 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCCOC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314731565 1070950347 /nfs/dbraw/zinc/95/03/47/1070950347.db2.gz NXKAYWSOEKKAOF-MGPUTAFESA-N 1 0 456.081 3.961 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nc(C)c(C)s2)CC1 ZINC001313691342 1070950720 /nfs/dbraw/zinc/95/07/20/1070950720.db2.gz JDYPSSDXLQPKBT-UHFFFAOYSA-N 1 0 482.658 3.552 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001313691549 1070951421 /nfs/dbraw/zinc/95/14/21/1070951421.db2.gz OZHVPMQRXGLWLX-WOVHNISZSA-N 1 0 477.694 3.833 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001313691550 1070951481 /nfs/dbraw/zinc/95/14/81/1070951481.db2.gz OZHVPMQRXGLWLX-YPCDYVTLSA-N 1 0 477.694 3.833 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001313692861 1070953365 /nfs/dbraw/zinc/95/33/65/1070953365.db2.gz DIMSWKXQXVAWBM-UHFFFAOYSA-N 1 0 466.552 3.926 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 ZINC001313695068 1070958582 /nfs/dbraw/zinc/95/85/82/1070958582.db2.gz LJORNIBQAUVXGC-AWEZNQCLSA-N 1 0 489.974 3.547 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSc2ccccc2)CC1 ZINC001313694297 1070956485 /nfs/dbraw/zinc/95/64/85/1070956485.db2.gz GLCJNLFBVOYPKJ-FQEVSTJZSA-N 1 0 491.727 3.673 20 0 JHADRO CC1CC[NH+](CC[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)CC1 ZINC001309767090 1070959342 /nfs/dbraw/zinc/95/93/42/1070959342.db2.gz UHYRKBGQBZAZCJ-KRWDZBQOSA-N 1 0 459.439 3.874 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001313695722 1070960640 /nfs/dbraw/zinc/96/06/40/1070960640.db2.gz BAVOBLXSFWQOLB-UXHICEINSA-N 1 0 488.702 3.785 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001313695697 1070960784 /nfs/dbraw/zinc/96/07/84/1070960784.db2.gz QWSDDMVCQFJRBO-YTTGMZPUSA-N 1 0 461.676 3.812 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCNC(C)=O)CC1 ZINC001313696388 1070963135 /nfs/dbraw/zinc/96/31/35/1070963135.db2.gz GQXUVFXILPPCIL-GOSISDBHSA-N 1 0 472.703 3.968 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001313696496 1070963201 /nfs/dbraw/zinc/96/32/01/1070963201.db2.gz WLYFQWPBNNKZSE-RUZDIDTESA-N 1 0 453.587 3.765 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@](C)(O)c2ccco2)CC1 ZINC001313697186 1070965134 /nfs/dbraw/zinc/96/51/34/1070965134.db2.gz LTCPUXKDRYIBDG-VWLOTQADSA-N 1 0 453.587 3.765 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOC)CCCCC2)CC1 ZINC001313697205 1070965937 /nfs/dbraw/zinc/96/59/37/1070965937.db2.gz WFKVIQVEEGZERF-NRFANRHFSA-N 1 0 460.667 3.527 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc([C@H]2CCCCO2)n1CC[NH+]1CCCCCC1 ZINC001314737449 1070966240 /nfs/dbraw/zinc/96/62/40/1070966240.db2.gz MYBMDKRPXXAFLV-APYJYERMSA-N 1 0 459.660 3.770 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314737651 1070967737 /nfs/dbraw/zinc/96/77/37/1070967737.db2.gz OUIRUGGIGGGSJQ-OHWKKVTOSA-N 1 0 480.682 3.758 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2nccnc2C)CC1 ZINC001313698056 1070968977 /nfs/dbraw/zinc/96/89/77/1070968977.db2.gz PSVGLEDSEZODMW-UHFFFAOYSA-N 1 0 455.010 3.645 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(Cl)cc2)CC1 ZINC001313698529 1070971064 /nfs/dbraw/zinc/97/10/64/1070971064.db2.gz GZCRSWPWUVBJRI-UHFFFAOYSA-N 1 0 487.073 3.623 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)S(=O)(=O)c3onc(C4CC4)c3Cl)cc2)C[C@H](C)O1 ZINC001309796756 1070972282 /nfs/dbraw/zinc/97/22/82/1070972282.db2.gz QQKGUECRSIMUEJ-GASCZTMLSA-N 1 0 453.992 3.635 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@H](C)[C@H](OC)C2)c1 ZINC001313699341 1070973212 /nfs/dbraw/zinc/97/32/12/1070973212.db2.gz BKVRAKKIHSYAPR-NZQKXSOJSA-N 1 0 491.640 3.677 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCOC(C)(C)C2)cc1 ZINC001313699300 1070973217 /nfs/dbraw/zinc/97/32/17/1070973217.db2.gz APXWLAOMZUHUHE-UHFFFAOYSA-N 1 0 465.646 3.645 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC(C)C)cc2)CC1 ZINC001313700009 1070975897 /nfs/dbraw/zinc/97/58/97/1070975897.db2.gz SFROSSGUKNWFLX-UHFFFAOYSA-N 1 0 494.640 3.672 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001313699528 1070974274 /nfs/dbraw/zinc/97/42/74/1070974274.db2.gz LQUHJERSMRCXPV-RBBKRZOGSA-N 1 0 452.647 3.680 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC001313699616 1070974794 /nfs/dbraw/zinc/97/47/94/1070974794.db2.gz DNPKPMFWSOBZDN-UWJYYQICSA-N 1 0 489.546 3.781 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCO3)n2CCCCn2cc(Br)cn2)CC1 ZINC001313701070 1070978694 /nfs/dbraw/zinc/97/86/94/1070978694.db2.gz QWCDGPSKTZYGJZ-HXUWFJFHSA-N 1 0 494.482 3.880 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CC(=O)N[C@H]4CCCC[C@@H]43)nnc2C(C)(C)C)c1 ZINC001313701660 1070980705 /nfs/dbraw/zinc/98/07/05/1070980705.db2.gz BWUSODITTPEAAO-VXKWHMMOSA-N 1 0 452.647 3.713 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CC(=O)N[C@@H]4CCCC[C@@H]43)nnc2C(C)(C)C)c1 ZINC001313701661 1070980734 /nfs/dbraw/zinc/98/07/34/1070980734.db2.gz BWUSODITTPEAAO-YADHBBJMSA-N 1 0 452.647 3.713 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(C(C)(F)F)cc2)CC1 ZINC001313700250 1070976646 /nfs/dbraw/zinc/97/66/46/1070976646.db2.gz CJZPEVHHVIOVFH-UHFFFAOYSA-N 1 0 462.589 3.552 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(N3CCN(c4cnn(C)c4)CC3)nnc2C(C)(C)C)cc1 ZINC001313700402 1070977395 /nfs/dbraw/zinc/97/73/95/1070977395.db2.gz SZNOOCPOBNNKQH-UHFFFAOYSA-N 1 0 464.662 3.526 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2[C@@H]2C[C@H]2C)CC1 ZINC001313700878 1070978216 /nfs/dbraw/zinc/97/82/16/1070978216.db2.gz MHHQJHLLGSKBBZ-BAGYTPMASA-N 1 0 468.646 3.606 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCCCC2)C1 ZINC001313703486 1070986804 /nfs/dbraw/zinc/98/68/04/1070986804.db2.gz XJGBKOFNFLGZSI-FQEVSTJZSA-N 1 0 471.646 3.826 20 0 JHADRO CN(Cc1cccc(OC(F)F)c1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCCC1 ZINC001314743342 1070983757 /nfs/dbraw/zinc/98/37/57/1070983757.db2.gz LOSSAQYEDACQSL-HXUWFJFHSA-N 1 0 476.572 3.732 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001313702421 1070984208 /nfs/dbraw/zinc/98/42/08/1070984208.db2.gz AEMMMKKYNYYFHL-HSZRJFAPSA-N 1 0 498.672 3.729 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CCN(C[C@H]4CCCO4)CC3)nnc2C(C)(C)C)c1 ZINC001313702375 1070984270 /nfs/dbraw/zinc/98/42/70/1070984270.db2.gz GYMHDVQMMKDUIY-XMMPIXPASA-N 1 0 468.690 3.767 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CCO[C@@H]([C@H]4CCCO4)C3)nnc2C(C)(C)C)c1 ZINC001313703675 1070987422 /nfs/dbraw/zinc/98/74/22/1070987422.db2.gz QDKKTFWVXPDCCX-DHIUTWEWSA-N 1 0 455.647 3.850 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H]2CC=CCC2)cc1 ZINC001313702490 1070984790 /nfs/dbraw/zinc/98/47/90/1070984790.db2.gz BFVYKWWNEOYUGJ-NZQKXSOJSA-N 1 0 450.631 3.912 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(C)C)nnc2N2CCC(Cn3ccnn3)CC2)cc1 ZINC001313702516 1070984864 /nfs/dbraw/zinc/98/48/64/1070984864.db2.gz CACAFAGDVILSHF-UHFFFAOYSA-N 1 0 450.635 3.800 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(C)=O)C[C@@H]2C)cc1 ZINC001313703008 1070985498 /nfs/dbraw/zinc/98/54/98/1070985498.db2.gz DFJSIPLEQMVBJX-FQEVSTJZSA-N 1 0 454.663 3.814 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H](Cn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1C(C)(C)C)C1CC1 ZINC001314744839 1070987240 /nfs/dbraw/zinc/98/72/40/1070987240.db2.gz QIOPQNQFDAGGHE-UNMCSNQZSA-N 1 0 452.647 3.578 20 0 JHADRO COc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1Br ZINC001309829162 1070987978 /nfs/dbraw/zinc/98/79/78/1070987978.db2.gz XJOWIPADQBLZKS-UTKZUKDTSA-N 1 0 465.413 3.600 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C2CCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313704146 1070989907 /nfs/dbraw/zinc/98/99/07/1070989907.db2.gz GYWZHLSZTSHDAO-IBGZPJMESA-N 1 0 454.619 3.713 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001313704646 1070991241 /nfs/dbraw/zinc/99/12/41/1070991241.db2.gz YXLNHYTWRCMVEK-FQEVSTJZSA-N 1 0 454.663 3.854 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCc2c[nH]c3cc(F)ccc23)CC1 ZINC001313704751 1070991788 /nfs/dbraw/zinc/99/17/88/1070991788.db2.gz QHQHWWXXMKMBIV-UHFFFAOYSA-N 1 0 497.663 3.720 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1C(C)(C)C ZINC001313705098 1070993191 /nfs/dbraw/zinc/99/31/91/1070993191.db2.gz QURLSZDBQDJHOM-UHFFFAOYSA-N 1 0 489.668 3.823 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001313705765 1070994265 /nfs/dbraw/zinc/99/42/65/1070994265.db2.gz UWJUUJOLUQPVKH-HSZRJFAPSA-N 1 0 498.697 3.577 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2CCOCC2)C1 ZINC001313707396 1070998229 /nfs/dbraw/zinc/99/82/29/1070998229.db2.gz MMANNFUWEAGEEL-SFHVURJKSA-N 1 0 479.467 3.641 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313705855 1070995030 /nfs/dbraw/zinc/99/50/30/1070995030.db2.gz VZMPBYDZAGATEH-NVQXNPDNSA-N 1 0 468.646 3.515 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)cc2OC)C1 ZINC001313707258 1070997558 /nfs/dbraw/zinc/99/75/58/1070997558.db2.gz KWWDECMOGWSTDG-QGZVFWFLSA-N 1 0 458.010 3.557 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCOC2)C1 ZINC001313709894 1071003398 /nfs/dbraw/zinc/00/33/98/1071003398.db2.gz TXMHDSVHPULFJJ-OALUTQOASA-N 1 0 492.462 3.824 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[C@H](O)C2)C1 ZINC001313710208 1071003668 /nfs/dbraw/zinc/00/36/68/1071003668.db2.gz WHOHGSLYRNDBCC-VJBWXMMDSA-N 1 0 455.647 3.885 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCCn2cc(Br)cn2)C1 ZINC001313709054 1071000968 /nfs/dbraw/zinc/00/09/68/1071000968.db2.gz CADJAWDUGLTCFU-AZUAARDMSA-N 1 0 494.482 3.737 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OCC(F)(F)F)C1 ZINC001313709314 1071001400 /nfs/dbraw/zinc/00/14/00/1071001400.db2.gz CSNCCJOKDPKYCM-QUCCMNQESA-N 1 0 496.578 3.725 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[C@@H](O)C2)C1 ZINC001313710206 1071003690 /nfs/dbraw/zinc/00/36/90/1071003690.db2.gz WHOHGSLYRNDBCC-RJGXRXQPSA-N 1 0 455.647 3.885 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C)c2)C1 ZINC001313709496 1071002292 /nfs/dbraw/zinc/00/22/92/1071002292.db2.gz MPJJIYWOFKDFRQ-OAQYLSRUSA-N 1 0 466.655 3.794 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001313709776 1071002951 /nfs/dbraw/zinc/00/29/51/1071002951.db2.gz QCYCTLOQMYMKHQ-RTBURBONSA-N 1 0 464.655 3.601 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001313711656 1071006531 /nfs/dbraw/zinc/00/65/31/1071006531.db2.gz FVLBWFZTATYFNQ-UHFFFAOYSA-N 1 0 482.032 3.688 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313712080 1071007999 /nfs/dbraw/zinc/00/79/99/1071007999.db2.gz RKLUDFSTPXTAMG-UHFFFAOYSA-N 1 0 492.672 3.762 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC)CC1 ZINC001313712206 1071008012 /nfs/dbraw/zinc/00/80/12/1071008012.db2.gz KLGATUVUTSAJOS-UHFFFAOYSA-N 1 0 456.635 3.863 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC(F)(F)F)C1 ZINC001313713029 1071009742 /nfs/dbraw/zinc/00/97/42/1071009742.db2.gz SKFQCXLCSCYERN-LJQANCHMSA-N 1 0 494.610 3.963 20 0 JHADRO CN(Cc1ccccn1)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314755109 1071008623 /nfs/dbraw/zinc/00/86/23/1071008623.db2.gz QLLQWNGQBKOORJ-GOSISDBHSA-N 1 0 481.651 3.665 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCOc2ncccc2Cl)C1 ZINC001313712519 1071008947 /nfs/dbraw/zinc/00/89/47/1071008947.db2.gz QTXVCPKQQVKKEN-LJQANCHMSA-N 1 0 470.021 3.944 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001313713130 1071010054 /nfs/dbraw/zinc/01/00/54/1071010054.db2.gz YSKHPZBYEXMUTA-PXNSSMCTSA-N 1 0 480.451 3.680 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCn2nc(C)nc2C1 ZINC001313713157 1071010190 /nfs/dbraw/zinc/01/01/90/1071010190.db2.gz WSJBDZXXPNASCR-FQEVSTJZSA-N 1 0 466.634 3.687 20 0 JHADRO CN(Cc1ccco1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001314756805 1071010487 /nfs/dbraw/zinc/01/04/87/1071010487.db2.gz CQWOZQXVRBUHSM-KDURUIRLSA-N 1 0 458.607 3.764 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(Cl)nc2)C1 ZINC001313713582 1071010763 /nfs/dbraw/zinc/01/07/63/1071010763.db2.gz RKPQXAKLXFGJFR-GOSISDBHSA-N 1 0 460.051 3.899 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(F)cc(F)c(F)c2F)C1 ZINC001313713848 1071011120 /nfs/dbraw/zinc/01/11/20/1071011120.db2.gz VREWJXKEHQPBOF-CVEARBPZSA-N 1 0 469.527 3.945 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001313715851 1071014663 /nfs/dbraw/zinc/01/46/63/1071014663.db2.gz LIWGAVMKNBMCKM-FQEVSTJZSA-N 1 0 451.594 3.926 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313714986 1071013434 /nfs/dbraw/zinc/01/34/34/1071013434.db2.gz ADDADHHFRDBNKL-FPOVZHCZSA-N 1 0 471.650 3.812 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1scnc1C ZINC001313715126 1071013491 /nfs/dbraw/zinc/01/34/91/1071013491.db2.gz ZNCCUHFCSZVNBT-UHFFFAOYSA-N 1 0 456.616 3.850 20 0 JHADRO CC[NH+](CC)CCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001313715315 1071013920 /nfs/dbraw/zinc/01/39/20/1071013920.db2.gz BVMYGNYVUBFCKN-UHFFFAOYSA-N 1 0 458.695 3.972 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314759506 1071015019 /nfs/dbraw/zinc/01/50/19/1071015019.db2.gz IQOXAYCYZOXSRP-SFHVURJKSA-N 1 0 489.447 3.770 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccsc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001313715966 1071015573 /nfs/dbraw/zinc/01/55/73/1071015573.db2.gz MJDNNLMEOQJTML-CYFREDJKSA-N 1 0 474.675 3.766 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001313716201 1071015951 /nfs/dbraw/zinc/01/59/51/1071015951.db2.gz HINFBOXTQQTNOH-UHFFFAOYSA-N 1 0 470.637 3.721 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313716333 1071016051 /nfs/dbraw/zinc/01/60/51/1071016051.db2.gz RBYRIUANJRUJCT-LJQANCHMSA-N 1 0 459.639 3.509 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001313716605 1071016665 /nfs/dbraw/zinc/01/66/65/1071016665.db2.gz UJKMANAAOSUPRQ-IBGZPJMESA-N 1 0 486.615 3.572 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313717489 1071017258 /nfs/dbraw/zinc/01/72/58/1071017258.db2.gz FLFZRCSUDIFFAM-UHFFFAOYSA-N 1 0 486.661 3.669 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCCC1 ZINC001314760730 1071017473 /nfs/dbraw/zinc/01/74/73/1071017473.db2.gz RGYOPHPHFDBUHZ-UHFFFAOYSA-N 1 0 451.619 3.620 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313718265 1071018142 /nfs/dbraw/zinc/01/81/42/1071018142.db2.gz PSBBDELWWOAZAP-UYAOXDASSA-N 1 0 469.552 3.768 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001313718276 1071018707 /nfs/dbraw/zinc/01/87/07/1071018707.db2.gz QBBVCHRBDVNVHL-HXUWFJFHSA-N 1 0 468.646 3.799 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCCOC2)nnc1N1Cc2ccc(Br)cc2C1 ZINC001313718609 1071019114 /nfs/dbraw/zinc/01/91/14/1071019114.db2.gz SZOPTQRHEQGGCW-LJQANCHMSA-N 1 0 492.462 3.813 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC001313720137 1071020922 /nfs/dbraw/zinc/02/09/22/1071020922.db2.gz UQXHQDKOXRUHNO-MOPGFXCFSA-N 1 0 473.691 3.925 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(c2ccnn2C)CC1 ZINC001313722059 1071025606 /nfs/dbraw/zinc/02/56/06/1071025606.db2.gz PWDUGHQWIWRVDJ-LJQANCHMSA-N 1 0 481.645 3.810 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001313721991 1071025659 /nfs/dbraw/zinc/02/56/59/1071025659.db2.gz VCNFHPCPYCOMKZ-HBGVWJBISA-N 1 0 466.001 3.852 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc([C@@H]2CCOC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314763036 1071021516 /nfs/dbraw/zinc/02/15/16/1071021516.db2.gz OOTZNOXGEGROCQ-QGZVFWFLSA-N 1 0 483.583 3.825 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001313720517 1071021701 /nfs/dbraw/zinc/02/17/01/1071021701.db2.gz MADGOEHAXDJTFM-HSZRJFAPSA-N 1 0 468.646 3.569 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001313722108 1071025702 /nfs/dbraw/zinc/02/57/02/1071025702.db2.gz QENGEBFIAMPBPN-GOSISDBHSA-N 1 0 467.618 3.934 20 0 JHADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1c2ccccc2CC[C@H]1Cc1ccccc1 ZINC001309937860 1071022631 /nfs/dbraw/zinc/02/26/31/1071022631.db2.gz IQBBGCURQILYRI-QHCPKHFHSA-N 1 0 452.624 3.814 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001313721170 1071023193 /nfs/dbraw/zinc/02/31/93/1071023193.db2.gz HPDLDXPCTMZIFR-SPLOXXLWSA-N 1 0 453.418 3.684 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](OC)C1 ZINC001313721565 1071024452 /nfs/dbraw/zinc/02/44/52/1071024452.db2.gz NNLDLHUOUSQHNQ-GDBMZVCRSA-N 1 0 454.388 3.802 20 0 JHADRO CCCN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1 ZINC001309944231 1071024539 /nfs/dbraw/zinc/02/45/39/1071024539.db2.gz CBQOSMTVCRCDBP-UHFFFAOYSA-N 1 0 454.976 3.785 20 0 JHADRO CCCN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1cnn(-c2ccccn2)c1C ZINC001309946101 1071025358 /nfs/dbraw/zinc/02/53/58/1071025358.db2.gz QWFIZBNLEZMLMA-UHFFFAOYSA-N 1 0 453.612 3.641 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313723740 1071029310 /nfs/dbraw/zinc/02/93/10/1071029310.db2.gz LQVKZMRSFPSUIH-VAMGGRTRSA-N 1 0 465.646 3.888 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313723985 1071029720 /nfs/dbraw/zinc/02/97/20/1071029720.db2.gz KXESWWCFEQSXSH-IAGOWNOFSA-N 1 0 488.549 3.950 20 0 JHADRO CN(Cc1cscn1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001314769517 1071031457 /nfs/dbraw/zinc/03/14/57/1071031457.db2.gz OFHFQZMORQMKSG-LJQANCHMSA-N 1 0 489.690 3.971 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001313722568 1071027334 /nfs/dbraw/zinc/02/73/34/1071027334.db2.gz AZOXPIUDFTZRND-OAQYLSRUSA-N 1 0 475.641 3.778 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001313722842 1071027808 /nfs/dbraw/zinc/02/78/08/1071027808.db2.gz FIBXYJWVUZKGIA-OSPHWJPCSA-N 1 0 458.676 3.708 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001313722927 1071027876 /nfs/dbraw/zinc/02/78/76/1071027876.db2.gz JHMCRJPWRMJKNH-VGSWGCGISA-N 1 0 458.557 3.870 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001313722934 1071028346 /nfs/dbraw/zinc/02/83/46/1071028346.db2.gz INZRAVHIHHTWIN-NTKDMRAZSA-N 1 0 461.054 3.630 20 0 JHADRO CN(Cc1cscn1)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314770135 1071032565 /nfs/dbraw/zinc/03/25/65/1071032565.db2.gz AAFPVGFVXJQMLT-IBGZPJMESA-N 1 0 491.459 3.647 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC001313725694 1071033603 /nfs/dbraw/zinc/03/36/03/1071033603.db2.gz OOQJBUDAOGZPMA-XQBPLPMBSA-N 1 0 457.619 3.871 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(C2CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314770877 1071034506 /nfs/dbraw/zinc/03/45/06/1071034506.db2.gz FGNCCKOAVUJAHL-HNNXBMFYSA-N 1 0 458.554 3.504 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(Cc2ccccn2)n1CCC[NH+]1CCCC1 ZINC001314771221 1071035682 /nfs/dbraw/zinc/03/56/82/1071035682.db2.gz IGHDSCRNOOTHGV-UHFFFAOYSA-N 1 0 465.549 3.862 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(F)cc(F)c2C1 ZINC001313727174 1071036136 /nfs/dbraw/zinc/03/61/36/1071036136.db2.gz LRAKYHMFGIYQKK-GOSISDBHSA-N 1 0 457.573 3.711 20 0 JHADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(I)cc2C)[C@H](C)C1 ZINC001309977805 1071036161 /nfs/dbraw/zinc/03/61/61/1071036161.db2.gz HNMRRCCQIXHIGR-CRAIPNDOSA-N 1 0 459.372 3.858 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001313727697 1071037631 /nfs/dbraw/zinc/03/76/31/1071037631.db2.gz ZHCDBZAAUKVATA-PKTZIBPZSA-N 1 0 482.673 3.795 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314772248 1071038240 /nfs/dbraw/zinc/03/82/40/1071038240.db2.gz SGVWNJYDTAWCPE-OLZOCXBDSA-N 1 0 499.588 3.705 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001313728767 1071040742 /nfs/dbraw/zinc/04/07/42/1071040742.db2.gz VRUAAPKLTQYHGD-FGZHOGPDSA-N 1 0 455.647 3.761 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC001313729097 1071041754 /nfs/dbraw/zinc/04/17/54/1071041754.db2.gz YUOSKNQGZHZPRC-HSZRJFAPSA-N 1 0 461.658 3.938 20 0 JHADRO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC001309991594 1071041951 /nfs/dbraw/zinc/04/19/51/1071041951.db2.gz UCRNNASMMDRDFN-UHFFFAOYSA-N 1 0 456.612 3.551 20 0 JHADRO Cc1cc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001309993515 1071042929 /nfs/dbraw/zinc/04/29/29/1071042929.db2.gz NAIZEWBLWBZSKS-UHFFFAOYSA-N 1 0 451.493 3.776 20 0 JHADRO Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001309994217 1071043847 /nfs/dbraw/zinc/04/38/47/1071043847.db2.gz RRUJROFQKKTKEC-KRWDZBQOSA-N 1 0 451.493 3.776 20 0 JHADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Nc2ccc(Br)cc2C)CC1 ZINC001309995760 1071045255 /nfs/dbraw/zinc/04/52/55/1071045255.db2.gz VEVVFKVVOZKTRX-UHFFFAOYSA-N 1 0 453.425 3.850 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(-c2cnn(C)c2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001313731011 1071046183 /nfs/dbraw/zinc/04/61/83/1071046183.db2.gz DGSNHPNKDYZJMK-LJQANCHMSA-N 1 0 478.066 3.777 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001313731498 1071047678 /nfs/dbraw/zinc/04/76/78/1071047678.db2.gz NTOOPMPNWZRRDX-INIZCTEOSA-N 1 0 454.040 3.634 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001313731872 1071048514 /nfs/dbraw/zinc/04/85/14/1071048514.db2.gz WNPGZXVTFTYKOA-RTBURBONSA-N 1 0 495.640 3.605 20 0 JHADRO CN(Cc1nccs1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314777619 1071051003 /nfs/dbraw/zinc/05/10/03/1071051003.db2.gz CLIPGBORSZWAMZ-IBGZPJMESA-N 1 0 489.690 3.826 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(Cc2ccncc2)n1CC[NH+]1CCC(C)CC1 ZINC001313735985 1071057124 /nfs/dbraw/zinc/05/71/24/1071057124.db2.gz YNTHNNRQQKVWKN-UHFFFAOYSA-N 1 0 489.668 3.724 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(CC(C)C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001313734503 1071054684 /nfs/dbraw/zinc/05/46/84/1071054684.db2.gz RQSXVBKJQDETTC-NRFANRHFSA-N 1 0 454.663 3.937 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001313734532 1071054727 /nfs/dbraw/zinc/05/47/27/1071054727.db2.gz RZEBXTCZIZXAAU-JTHBVZDNSA-N 1 0 496.681 3.875 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001313734733 1071055171 /nfs/dbraw/zinc/05/51/71/1071055171.db2.gz AVXWRYAHLUFNDK-PKTZIBPZSA-N 1 0 468.646 3.775 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001313735154 1071055630 /nfs/dbraw/zinc/05/56/30/1071055630.db2.gz DZCDIVGYULRNDZ-DEOSSOPVSA-N 1 0 452.628 3.813 20 0 JHADRO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001310017953 1071062280 /nfs/dbraw/zinc/06/22/80/1071062280.db2.gz BDKXXSJCESLPIT-FQEVSTJZSA-N 1 0 458.628 3.844 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)CC1 ZINC001310017826 1071062365 /nfs/dbraw/zinc/06/23/65/1071062365.db2.gz HDFSDEVHONXHEO-QNTYUMOHSA-N 1 0 451.011 3.576 20 0 JHADRO CN(CC1CC(F)C1)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+](C)C)CCCCC1 ZINC001314786318 1071063694 /nfs/dbraw/zinc/06/36/94/1071063694.db2.gz VWZDRGJLLMZAKK-UHFFFAOYSA-N 1 0 462.639 3.718 20 0 JHADRO CCN(Cc1ccc(OC)cc1OC)c1nnc(-c2cccnc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313737180 1071060193 /nfs/dbraw/zinc/06/01/93/1071060193.db2.gz BLMDLHDBEANNDN-UHFFFAOYSA-N 1 0 494.640 3.619 20 0 JHADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001313737636 1071060864 /nfs/dbraw/zinc/06/08/64/1071060864.db2.gz JHQNNEHBTGAKIR-RTWAWAEBSA-N 1 0 457.619 3.700 20 0 JHADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001310020868 1071065451 /nfs/dbraw/zinc/06/54/51/1071065451.db2.gz TXPRTYBZDWVQDS-PMACEKPBSA-N 1 0 459.635 3.904 20 0 JHADRO CN(C[C@@H]1CC=CCC1)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314790599 1071068061 /nfs/dbraw/zinc/06/80/61/1071068061.db2.gz PLHAUOHNKWLROE-UXHICEINSA-N 1 0 459.585 3.786 20 0 JHADRO CN(CC1CCCC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC[NH+]1CCCC1 ZINC001314794087 1071071744 /nfs/dbraw/zinc/07/17/44/1071071744.db2.gz HSSVOYOFJLIRIL-UHFFFAOYSA-N 1 0 459.038 3.974 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001313745135 1071072793 /nfs/dbraw/zinc/07/27/93/1071072793.db2.gz NJOLQCHIMYOXET-HSZRJFAPSA-N 1 0 452.578 3.863 20 0 JHADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)CC3CCCC3)n2CCC[NH+]2CCCCC2)c1 ZINC001314794947 1071072980 /nfs/dbraw/zinc/07/29/80/1071072980.db2.gz RZSUDMBOIARKDC-UHFFFAOYSA-N 1 0 488.702 3.698 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313745263 1071073577 /nfs/dbraw/zinc/07/35/77/1071073577.db2.gz AWIFYWNDGKWCMC-KCZVDYSFSA-N 1 0 459.610 3.837 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313745681 1071074266 /nfs/dbraw/zinc/07/42/66/1071074266.db2.gz WGRCTAVCSUZGBD-UHFFFAOYSA-N 1 0 451.594 3.532 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](CO)c3ccccc3OC(F)(F)F)cc2)CC1 ZINC001310035627 1071074630 /nfs/dbraw/zinc/07/46/30/1071074630.db2.gz COWNTFWVULYXJT-IBGZPJMESA-N 1 0 452.477 3.582 20 0 JHADRO CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313746757 1071075856 /nfs/dbraw/zinc/07/58/56/1071075856.db2.gz NUTYYROUFQJVRM-LJQANCHMSA-N 1 0 458.676 3.999 20 0 JHADRO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NCC[N@H+](C)C3CCCCC3)cc2)C1 ZINC001310042756 1071079946 /nfs/dbraw/zinc/07/99/46/1071079946.db2.gz JWBOOEMOLWMFAB-OALUTQOASA-N 1 0 450.649 3.739 20 0 JHADRO CN(CC1CCCCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCC[NH+]1CCCCC1 ZINC001314799700 1071078260 /nfs/dbraw/zinc/07/82/60/1071078260.db2.gz XVXITEFKLUOJDF-JOCHJYFZSA-N 1 0 465.708 3.853 20 0 JHADRO CCN(Cc1cccs1)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC(C)(C)C[NH+](C)C ZINC001313750002 1071080944 /nfs/dbraw/zinc/08/09/44/1071080944.db2.gz RYGMKOPJAJYIJG-UHFFFAOYSA-N 1 0 479.654 3.868 20 0 JHADRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 ZINC001310045298 1071081814 /nfs/dbraw/zinc/08/18/14/1071081814.db2.gz CYQMADDHQQMOHO-HSALFYBXSA-N 1 0 457.619 3.596 20 0 JHADRO CN(C(=O)Nc1ccccc1C(=O)N1CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001310049659 1071084133 /nfs/dbraw/zinc/08/41/33/1071084133.db2.gz RJUAHRHHEVQAPY-RPWUZVMVSA-N 1 0 455.647 3.724 20 0 JHADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)ccc1Cl ZINC001310055495 1071087140 /nfs/dbraw/zinc/08/71/40/1071087140.db2.gz LFYGLXQZVFOOGE-LPHOPBHVSA-N 1 0 459.056 3.955 20 0 JHADRO COc1ccc(NC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cc1OCc1ccncc1 ZINC001310055737 1071087682 /nfs/dbraw/zinc/08/76/82/1071087682.db2.gz FCECZXRTYUXLGC-NRFANRHFSA-N 1 0 454.571 3.776 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314804007 1071088666 /nfs/dbraw/zinc/08/86/66/1071088666.db2.gz XGDPDPZRFWCULH-RBUKOAKNSA-N 1 0 466.001 3.590 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314805203 1071091158 /nfs/dbraw/zinc/09/11/58/1071091158.db2.gz SDHVMKATTMOSLP-JXFKEZNVSA-N 1 0 462.436 3.911 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001314804615 1071090554 /nfs/dbraw/zinc/09/05/54/1071090554.db2.gz MPMIXOYXCXYQQL-QHAWAJNXSA-N 1 0 476.666 3.540 20 0 JHADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 ZINC001310064010 1071093278 /nfs/dbraw/zinc/09/32/78/1071093278.db2.gz YADITZAVCJYCDR-FQEVSTJZSA-N 1 0 455.584 3.566 20 0 JHADRO CCN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc(-c2cccc(C)n2)n1CC(C)(C)C[NH+](C)C ZINC001313756312 1071098627 /nfs/dbraw/zinc/09/86/27/1071098627.db2.gz BNJPXAYBKZPDHQ-UHFFFAOYSA-N 1 0 480.642 3.973 20 0 JHADRO Cc1ccc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)cc1S(=O)(=O)N(C)C ZINC001310073271 1071099024 /nfs/dbraw/zinc/09/90/24/1071099024.db2.gz OKKIJJIGDLCFRV-XUVXKRRUSA-N 1 0 458.628 3.761 20 0 JHADRO CCN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)[NH+](CC)CC ZINC001313757624 1071102433 /nfs/dbraw/zinc/10/24/33/1071102433.db2.gz XJQFFDPFQZJPNT-DLBZAZTESA-N 1 0 473.647 3.639 20 0 JHADRO CN(C[C@@H]1CCOC1)c1nnc(COc2ccccc2F)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314812613 1071109980 /nfs/dbraw/zinc/10/99/80/1071109980.db2.gz ANVBQVMFWKYXJR-FXAWDEMLSA-N 1 0 459.591 3.833 20 0 JHADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC001310088811 1071113437 /nfs/dbraw/zinc/11/34/37/1071113437.db2.gz JBFOYKVVJYPRTM-HNNXBMFYSA-N 1 0 458.506 3.601 20 0 JHADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)CC1 ZINC001310110343 1071124705 /nfs/dbraw/zinc/12/47/05/1071124705.db2.gz MWTZSMHQTXZIEG-UHFFFAOYSA-N 1 0 450.461 3.536 20 0 JHADRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(-n3ncc(C(=O)OCC)c3C(F)(F)F)c2)C1 ZINC001310118891 1071131821 /nfs/dbraw/zinc/13/18/21/1071131821.db2.gz UGJPAEVTMOBVFZ-HNNXBMFYSA-N 1 0 453.465 3.674 20 0 JHADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccc(F)cc3)c2)n1 ZINC001310118976 1071132416 /nfs/dbraw/zinc/13/24/16/1071132416.db2.gz WRVUKOBRPCQEEP-RBBKRZOGSA-N 1 0 451.502 3.755 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCCC1 ZINC001313776959 1071134612 /nfs/dbraw/zinc/13/46/12/1071134612.db2.gz ATJVHUREKZJLJU-QFIPXVFZSA-N 1 0 490.693 3.884 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314818825 1071130128 /nfs/dbraw/zinc/13/01/28/1071130128.db2.gz JCJZJGAVFPBCSQ-UHFFFAOYSA-N 1 0 477.053 3.951 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001314821336 1071138470 /nfs/dbraw/zinc/13/84/70/1071138470.db2.gz KLLMEEUJCCGUHG-UHFFFAOYSA-N 1 0 458.532 3.752 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001313780175 1071144295 /nfs/dbraw/zinc/14/42/95/1071144295.db2.gz LAIUSVBORXKICP-FGZHOGPDSA-N 1 0 490.693 3.884 20 0 JHADRO CN(CCC(F)F)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001314824629 1071147676 /nfs/dbraw/zinc/14/76/76/1071147676.db2.gz COIAXAMANLPKEY-UXHICEINSA-N 1 0 464.580 3.872 20 0 JHADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3cccc(COCCOc4ccccc4)c3)CC2)C1 ZINC001310141745 1071150809 /nfs/dbraw/zinc/15/08/09/1071150809.db2.gz DFGCSWDYVFJTSL-DEOSSOPVSA-N 1 0 452.599 3.526 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCCC2)C1)CC(F)(F)F ZINC001313784128 1071154003 /nfs/dbraw/zinc/15/40/03/1071154003.db2.gz FEMWWSLUBWSKLZ-NRFANRHFSA-N 1 0 493.622 3.849 20 0 JHADRO CCN(C[C@@H]1COc2ccccc2O1)c1nnc(CC(C)C)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313783954 1071153421 /nfs/dbraw/zinc/15/34/21/1071153421.db2.gz BRINXFBTEYQTOY-BHIFYINESA-N 1 0 471.646 3.642 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C2CC2)[NH+](C)C)C1)CC(F)(F)F ZINC001313786043 1071162295 /nfs/dbraw/zinc/16/22/95/1071162295.db2.gz NQVOWDNQXVJJJZ-PKOBYXMFSA-N 1 0 458.617 3.917 20 0 JHADRO CN(CCc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314834106 1071172003 /nfs/dbraw/zinc/17/20/03/1071172003.db2.gz QEXJHSBHPIOSLG-NRFANRHFSA-N 1 0 458.676 3.765 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(C3CCCC3)n2CC[N@H+]2CC=CCC2)C1)CC(F)(F)F ZINC001313788027 1071172259 /nfs/dbraw/zinc/17/22/59/1071172259.db2.gz YQTAANRLNBRNNA-LJQANCHMSA-N 1 0 454.585 3.908 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC[N@@H+](C3CC3)C2)C1)CC(F)(F)F ZINC001313788252 1071173742 /nfs/dbraw/zinc/17/37/42/1071173742.db2.gz QTDTVUQDJRRZKG-QZTJIDSGSA-N 1 0 456.601 3.770 20 0 JHADRO O=C(COc1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001310173155 1071178551 /nfs/dbraw/zinc/17/85/51/1071178551.db2.gz ZGGVBPSBSLVYIB-HSZRJFAPSA-N 1 0 450.583 3.516 20 0 JHADRO CN(CCC1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314837835 1071181497 /nfs/dbraw/zinc/18/14/97/1071181497.db2.gz KQUWPPNGJHZMDN-QFIPXVFZSA-N 1 0 495.603 3.620 20 0 JHADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc(Br)ccc1I ZINC001310183409 1071183077 /nfs/dbraw/zinc/18/30/77/1071183077.db2.gz JIGMYOIEWYGNMJ-NSHDSACASA-N 1 0 452.134 3.612 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)[NH+](C)C)C1)CC(F)(F)F ZINC001313790774 1071185361 /nfs/dbraw/zinc/18/53/61/1071185361.db2.gz XVRDXYMZLVQMHS-ROUUACIJSA-N 1 0 468.568 3.614 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1)CC(F)(F)F ZINC001313790792 1071185405 /nfs/dbraw/zinc/18/54/05/1071185405.db2.gz YKLISFOYNFQKCJ-AABGKKOBSA-N 1 0 496.626 3.510 20 0 JHADRO CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC001310185364 1071191494 /nfs/dbraw/zinc/19/14/94/1071191494.db2.gz DYPRTRNXDOQOLF-JOCHJYFZSA-N 1 0 456.974 3.991 20 0 JHADRO CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1CC1([NH+](C)C)CCOCC1 ZINC001313791341 1071186796 /nfs/dbraw/zinc/18/67/96/1071186796.db2.gz PNPAVYLAYSMBDR-UHFFFAOYSA-N 1 0 468.671 3.814 20 0 JHADRO CCN(CCc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001313792987 1071190138 /nfs/dbraw/zinc/19/01/38/1071190138.db2.gz VRZGAVQZYLQCAF-ZWKOTPCHSA-N 1 0 458.657 3.724 20 0 JHADRO CCN(CCc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001313792985 1071190201 /nfs/dbraw/zinc/19/02/01/1071190201.db2.gz VRZGAVQZYLQCAF-QZTJIDSGSA-N 1 0 458.657 3.724 20 0 JHADRO CCC[NH+]1CCN(c2ccc(NC(=O)NCc3nc(CN(C)C)cs3)cc2Cl)CC1 ZINC001310190847 1071195970 /nfs/dbraw/zinc/19/59/70/1071195970.db2.gz HCIAAKCRCNYZQD-UHFFFAOYSA-N 1 0 451.040 3.712 20 0 JHADRO CCC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@@H](OC(=O)N(C)C)C3)cc2Cl)CC1 ZINC001310192695 1071198264 /nfs/dbraw/zinc/19/82/64/1071198264.db2.gz XNKQRTDRDDOLCS-GOSISDBHSA-N 1 0 451.999 3.567 20 0 JHADRO CCC[NH+]1CCN(c2ccc(NC(=O)N3CCC(CC(=O)N(C)C)CC3)cc2Cl)CC1 ZINC001310192793 1071198278 /nfs/dbraw/zinc/19/82/78/1071198278.db2.gz ZJOCYSOXNCXBBP-UHFFFAOYSA-N 1 0 450.027 3.594 20 0 JHADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC001310194100 1071200402 /nfs/dbraw/zinc/20/04/02/1071200402.db2.gz CQTGZVDTWYAMLW-HYBUGGRVSA-N 1 0 459.974 3.656 20 0 JHADRO C[N@H+](CCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)C1CCCCC1 ZINC001314846172 1071203025 /nfs/dbraw/zinc/20/30/25/1071203025.db2.gz XIKXRVCYAPLFMU-UHFFFAOYSA-N 1 0 485.574 3.950 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cnccn3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001314845702 1071201038 /nfs/dbraw/zinc/20/10/38/1071201038.db2.gz QGTRQOFMXTXPCC-NRFANRHFSA-N 1 0 498.676 3.835 20 0 JHADRO CC[N@H+](CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C(C)=O)CC1)C1CC1 ZINC001313802319 1071208286 /nfs/dbraw/zinc/20/82/86/1071208286.db2.gz OGJZETKWCJADJL-IBGZPJMESA-N 1 0 489.064 3.841 20 0 JHADRO CC[N@H+](CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCn2nc(C)nc2C1)C(C)C ZINC001313801536 1071205770 /nfs/dbraw/zinc/20/57/70/1071205770.db2.gz GTFHXTQXAZMCEH-QGZVFWFLSA-N 1 0 473.025 3.722 20 0 JHADRO C[N@H+](CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(F)(F)CC1)C1CCCCC1 ZINC001314848472 1071208628 /nfs/dbraw/zinc/20/86/28/1071208628.db2.gz GABYGYPKZOPZLJ-UHFFFAOYSA-N 1 0 461.561 3.816 20 0 JHADRO 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CC[N@H+](CCn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001313822391 1071286012 /nfs/dbraw/zinc/28/60/12/1071286012.db2.gz QAGSHCXZUKBLQC-UHFFFAOYSA-N 1 0 460.589 3.591 20 0 JHADRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2ccccc2C)C1)CCC(F)(F)F ZINC001313822585 1071286242 /nfs/dbraw/zinc/28/62/42/1071286242.db2.gz SEECGUPEQZQQAT-HXUWFJFHSA-N 1 0 492.590 3.977 20 0 JHADRO CC[N@H+](CCn1c(N2Cc3ccccc3O[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001313822855 1071286713 /nfs/dbraw/zinc/28/67/13/1071286713.db2.gz WRARQLLDMSLCMK-LVXARBLLSA-N 1 0 471.646 3.837 20 0 JHADRO CN(CCN1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314873091 1071290053 /nfs/dbraw/zinc/29/00/53/1071290053.db2.gz TXKSNTAVAKRJRL-DEOSSOPVSA-N 1 0 482.717 3.731 20 0 JHADRO CC[N@H+](CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](c2nc(C)cs2)C1)C(C)C ZINC001313824479 1071291633 /nfs/dbraw/zinc/29/16/33/1071291633.db2.gz YOILEYGATBLJPT-ACRUOGEOSA-N 1 0 476.691 3.881 20 0 JHADRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001313824299 1071290941 /nfs/dbraw/zinc/29/09/41/1071290941.db2.gz AHUQSIOKKLEJSM-IBGZPJMESA-N 1 0 461.676 3.635 20 0 JHADRO CCN(CCn1c([C@H]2CCCO2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)C(=O)OC(C)(C)C ZINC001313825099 1071292743 /nfs/dbraw/zinc/29/27/43/1071292743.db2.gz ALGAMUOYXYXGSI-TZIWHRDSSA-N 1 0 476.666 3.697 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314876447 1071293062 /nfs/dbraw/zinc/29/30/62/1071293062.db2.gz QSSZIQDAZPQAEE-UHFFFAOYSA-N 1 0 481.689 3.714 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC[NH+]1CCCCCC1 ZINC001314876845 1071293674 /nfs/dbraw/zinc/29/36/74/1071293674.db2.gz BMISZQXESXNBMG-UHFFFAOYSA-N 1 0 467.618 3.721 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314876770 1071293929 /nfs/dbraw/zinc/29/39/29/1071293929.db2.gz ZWGVXFFMWOIXRN-SFHVURJKSA-N 1 0 455.559 3.821 20 0 JHADRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc3cccnc32)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001313825848 1071294345 /nfs/dbraw/zinc/29/43/45/1071294345.db2.gz XHXYLXXECWJHMO-RXFWQSSRSA-N 1 0 498.697 3.875 20 0 JHADRO CN(CCOc1ccccc1Cl)c1nnc(Cc2ccncc2)n1CC[N@H+]1CC=CCC1 ZINC001314883000 1071309611 /nfs/dbraw/zinc/30/96/11/1071309611.db2.gz WLJAAINBSAJARQ-UHFFFAOYSA-N 1 0 452.990 3.694 20 0 JHADRO CN(CCOc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001314884768 1071312491 /nfs/dbraw/zinc/31/24/91/1071312491.db2.gz XFZVJVBPLJORPV-UHFFFAOYSA-N 1 0 455.582 3.597 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)cn1 ZINC001313836360 1071315892 /nfs/dbraw/zinc/31/58/92/1071315892.db2.gz SWGNAOXOTIURBS-RTWAWAEBSA-N 1 0 487.052 3.764 20 0 JHADRO Cc1ccc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1N1CCCS1(=O)=O ZINC001310334061 1071316137 /nfs/dbraw/zinc/31/61/37/1071316137.db2.gz UPJZXCRIWDEAOB-PMACEKPBSA-N 1 0 456.612 3.662 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)cn1 ZINC001313838169 1071321340 /nfs/dbraw/zinc/32/13/40/1071321340.db2.gz MDAKPAZUWXEGHN-DHIUTWEWSA-N 1 0 467.618 3.684 20 0 JHADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1C[C@H]1CSCCS1 ZINC001314891665 1071321554 /nfs/dbraw/zinc/32/15/54/1071321554.db2.gz AAXAWWJKJWIEOX-RCZSKKKRSA-N 1 0 491.775 3.968 20 0 JHADRO CCn1cc(CN(C)c2nnc(Cc3csc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC001313843804 1071332032 /nfs/dbraw/zinc/33/20/32/1071332032.db2.gz RFYDQXUUSSZUHZ-RTBURBONSA-N 1 0 470.691 3.855 20 0 JHADRO COC(=O)c1cc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(Br)cc1F ZINC001310350184 1071330603 /nfs/dbraw/zinc/33/06/03/1071330603.db2.gz HYCKPLFRPHBWBG-CQSZACIVSA-N 1 0 452.324 3.669 20 0 JHADRO CCn1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](CCOC(C)C)CC2)cn1 ZINC001313842906 1071329844 /nfs/dbraw/zinc/32/98/44/1071329844.db2.gz KAEQLQRVQXFLQW-UHFFFAOYSA-N 1 0 476.000 3.549 20 0 JHADRO CCn1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[NH+](C(C)C)CC2)cn1 ZINC001313845367 1071334790 /nfs/dbraw/zinc/33/47/90/1071334790.db2.gz NMFKOHCUFJSWPG-UHFFFAOYSA-N 1 0 465.646 3.950 20 0 JHADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC(Oc2ccncc2C)CC1 ZINC001310362805 1071339875 /nfs/dbraw/zinc/33/98/75/1071339875.db2.gz GCYVPUAOIIQBOP-UHFFFAOYSA-N 1 0 453.587 3.616 20 0 JHADRO Cn1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001314904946 1071342956 /nfs/dbraw/zinc/34/29/56/1071342956.db2.gz GSFZISCLMTYYEF-UHFFFAOYSA-N 1 0 465.646 3.857 20 0 JHADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCc1ccc([Si](C)(C)C)cc1 ZINC001310364359 1071340938 /nfs/dbraw/zinc/34/09/38/1071340938.db2.gz QLXSLELXKHQOIG-UHFFFAOYSA-N 1 0 454.691 3.747 20 0 JHADRO CCn1cccc(Cn2c(-c3ccccc3Cl)nnc2N2CC[NH+](CC(C)C)CC2)c1=O ZINC001313848442 1071341816 /nfs/dbraw/zinc/34/18/16/1071341816.db2.gz PBRWJCWIDIDFFM-UHFFFAOYSA-N 1 0 455.006 3.606 20 0 JHADRO CCn1cccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[N@@H+](C(C)C)CC2)c1=O ZINC001313848627 1071342121 /nfs/dbraw/zinc/34/21/21/1071342121.db2.gz XBFTXRVODYLELA-UHFFFAOYSA-N 1 0 472.996 3.888 20 0 JHADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001310360156 1071337696 /nfs/dbraw/zinc/33/76/96/1071337696.db2.gz UFOZBGIJBUCXOZ-UHFFFAOYSA-N 1 0 450.370 3.508 20 0 JHADRO CCn1cccc(Cn2c(Cc3ccccc3F)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1=O ZINC001313851283 1071348806 /nfs/dbraw/zinc/34/88/06/1071348806.db2.gz BPOKHELCSGRNSX-UHFFFAOYSA-N 1 0 480.632 3.796 20 0 JHADRO CCn1cccc(Cn2c(COc3cc(C)ccc3C)nnc2N2CC[NH+](C(C)(C)C)CC2)c1=O ZINC001313850066 1071346425 /nfs/dbraw/zinc/34/64/25/1071346425.db2.gz ONCUVMYTTFKEHL-UHFFFAOYSA-N 1 0 478.641 3.624 20 0 JHADRO CCn1cnnc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313854832 1071353707 /nfs/dbraw/zinc/35/37/07/1071353707.db2.gz NLFZUBZODXHYTI-UHFFFAOYSA-N 1 0 475.016 3.956 20 0 JHADRO Cc1cc(NC(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC001310377487 1071351998 /nfs/dbraw/zinc/35/19/98/1071351998.db2.gz TWCLTBHTXPSPFO-DVECYGJZSA-N 1 0 455.603 3.905 20 0 JHADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC001310384994 1071357627 /nfs/dbraw/zinc/35/76/27/1071357627.db2.gz MYFWLYAKQQWETQ-UHFFFAOYSA-N 1 0 453.974 3.733 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(Cl)c2)C[C@@H]1C ZINC001313857349 1071356377 /nfs/dbraw/zinc/35/63/77/1071356377.db2.gz AOVDZDWUOHZXFM-DLBZAZTESA-N 1 0 453.978 3.546 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CC(F)(F)Br ZINC001314915189 1071356713 /nfs/dbraw/zinc/35/67/13/1071356713.db2.gz GKBAVPDLNIYMQR-UHFFFAOYSA-N 1 0 471.394 3.974 20 0 JHADRO Cc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1N1CCOC1=O ZINC001310389926 1071362605 /nfs/dbraw/zinc/36/26/05/1071362605.db2.gz VFEPFKOEBPZLJW-RTBURBONSA-N 1 0 452.555 3.883 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCCO[C@H]2CCOC2)C[C@@H]1C ZINC001313859497 1071364649 /nfs/dbraw/zinc/36/46/49/1071364649.db2.gz GVJPSGMULORWBD-WFXMLNOXSA-N 1 0 492.462 3.822 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC(F)(F)C2)C[C@H]1C ZINC001313860090 1071367299 /nfs/dbraw/zinc/36/72/99/1071367299.db2.gz IZPUGAWUMJGNJS-CHWSQXEVSA-N 1 0 457.367 4.000 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1C(C)(C)C ZINC001314925234 1071368094 /nfs/dbraw/zinc/36/80/94/1071368094.db2.gz UTCVEXDHOJNVBQ-OAQYLSRUSA-N 1 0 470.637 3.684 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001314928021 1071370499 /nfs/dbraw/zinc/37/04/99/1071370499.db2.gz JKRQQVBTZTUPHP-HKBOAZHASA-N 1 0 490.693 3.786 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001314928974 1071372009 /nfs/dbraw/zinc/37/20/09/1071372009.db2.gz RIJXBYQHLSRHLU-FCHUYYIVSA-N 1 0 497.688 3.830 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2CCOCC2)C[C@@H]1C ZINC001313861209 1071372662 /nfs/dbraw/zinc/37/26/62/1071372662.db2.gz PHPNCIYJEDVGPQ-OALUTQOASA-N 1 0 489.064 3.597 20 0 JHADRO C[N@@H+]1CCN(CCn2c(CCOc3ccccc3)nnc2N2CCCCCCC2)CC1(C)C ZINC001314930496 1071373434 /nfs/dbraw/zinc/37/34/34/1071373434.db2.gz GNPMWVKHBLPYPG-UHFFFAOYSA-N 1 0 454.663 3.696 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(OC)C2CC2)C[C@H]1C ZINC001313861286 1071373787 /nfs/dbraw/zinc/37/37/87/1071373787.db2.gz QDWLSSRMQXAQNF-FUMQJTLXSA-N 1 0 489.064 3.596 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(OC)C2CC2)C[C@H]1C ZINC001313861288 1071374402 /nfs/dbraw/zinc/37/44/02/1071374402.db2.gz QDWLSSRMQXAQNF-UZEJHQAJSA-N 1 0 489.064 3.596 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCc2cnn(C)n2)C[C@@H]1C ZINC001313862358 1071375919 /nfs/dbraw/zinc/37/59/19/1071375919.db2.gz PYVZNRALSVDYIJ-JAXLGGSGSA-N 1 0 480.661 3.715 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(Cl)c(OC)c2)C[C@@H]1C ZINC001313862253 1071376229 /nfs/dbraw/zinc/37/62/29/1071376229.db2.gz SIFKPABZZNXWMJ-ROUUACIJSA-N 1 0 498.031 3.749 20 0 JHADRO C[N@@H+]1CCN(CCn2c(CC3CCCC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1(C)C ZINC001314931814 1071376745 /nfs/dbraw/zinc/37/67/45/1071376745.db2.gz WJYSGFZYWXJQCN-AREMUKBSSA-N 1 0 460.711 3.678 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001314933602 1071380291 /nfs/dbraw/zinc/38/02/91/1071380291.db2.gz FJTGVRNVDDUPGR-OAQYLSRUSA-N 1 0 452.647 3.689 20 0 JHADRO COc1ccc(-c2nnc(CNC(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)[nH]2)cc1 ZINC001310424246 1071383605 /nfs/dbraw/zinc/38/36/05/1071383605.db2.gz SXILNSQVDPHOLP-UHFFFAOYSA-N 1 0 450.543 3.667 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2cc(Br)ccc2F)C[C@H]1C ZINC001313864013 1071384254 /nfs/dbraw/zinc/38/42/54/1071384254.db2.gz LHNDFRXYFVMWAR-HZPDHXFCSA-N 1 0 490.425 3.742 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313864804 1071388483 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ZINC001313865746 1071393189 /nfs/dbraw/zinc/39/31/89/1071393189.db2.gz XICKWROYDRJMBC-SLFFLAALSA-N 1 0 486.636 3.735 20 0 JHADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)ccc1Cl ZINC001310444305 1071393759 /nfs/dbraw/zinc/39/37/59/1071393759.db2.gz BPLOZWMSIJZSCG-NSISKUIASA-N 1 0 451.011 3.737 20 0 JHADRO CCn1cccc(Cn2c(-c3ccccc3Br)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1=O ZINC001313865120 1071390395 /nfs/dbraw/zinc/39/03/95/1071390395.db2.gz HWEWVLWNQNBRMY-ROUUACIJSA-N 1 0 499.457 3.856 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCC[C@H]2OC)C[C@H]1C ZINC001313867032 1071397153 /nfs/dbraw/zinc/39/71/53/1071397153.db2.gz IALCDNYYKTYUKS-CETSDDCJSA-N 1 0 455.647 3.806 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCCOC)C[C@@H]1C ZINC001313867126 1071398197 /nfs/dbraw/zinc/39/81/97/1071398197.db2.gz LMPKNIMFJLTFEI-JKSUJKDBSA-N 1 0 456.418 3.834 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCO[C@H]2C(C)C)C[C@H]1C ZINC001313867135 1071398377 /nfs/dbraw/zinc/39/83/77/1071398377.db2.gz LPMNFQIRVPMCRU-HGBASVHRSA-N 1 0 471.646 3.942 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(O)CC2)C[C@@H]1C ZINC001313867176 1071399058 /nfs/dbraw/zinc/39/90/58/1071399058.db2.gz IAPPXLCRWUMMCN-OALUTQOASA-N 1 0 462.038 3.695 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313867406 1071400109 /nfs/dbraw/zinc/40/01/09/1071400109.db2.gz KGAZRQZGGZYCEU-JENIJYKNSA-N 1 0 478.037 3.810 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313868005 1071401501 /nfs/dbraw/zinc/40/15/01/1071401501.db2.gz LPGPLYUSWCGNHP-ULQDDVLXSA-N 1 0 452.525 3.553 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001314946553 1071405703 /nfs/dbraw/zinc/40/57/03/1071405703.db2.gz TWSRFUFBNDUBHX-ZWKOTPCHSA-N 1 0 477.053 3.547 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314945223 1071402070 /nfs/dbraw/zinc/40/20/70/1071402070.db2.gz IGDTZMFIFKCRCR-JTSKRJEESA-N 1 0 477.638 3.676 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001313868141 1071402553 /nfs/dbraw/zinc/40/25/53/1071402553.db2.gz MKAAYVAJFQNBBX-QZTJIDSGSA-N 1 0 459.635 3.860 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2C[C@H]2C)C[C@@H]1C ZINC001313868682 1071405242 /nfs/dbraw/zinc/40/52/42/1071405242.db2.gz NAIXIAAWWBYISG-JKBKZWBZSA-N 1 0 460.667 3.968 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(O)CCC2)C[C@@H]1C ZINC001313869711 1071410347 /nfs/dbraw/zinc/41/03/47/1071410347.db2.gz PUQDYLQXQJXCJT-PMACEKPBSA-N 1 0 490.693 3.617 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)C[C@@H]1C ZINC001313868995 1071407443 /nfs/dbraw/zinc/40/74/43/1071407443.db2.gz CBJSKHGTESTUBU-SFTDATJTSA-N 1 0 452.647 3.566 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCOC(C)C)C[C@@H]1C ZINC001313869275 1071408344 /nfs/dbraw/zinc/40/83/44/1071408344.db2.gz PBGPQRYMOUOBCQ-FCHUYYIVSA-N 1 0 484.693 3.576 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314948447 1071411636 /nfs/dbraw/zinc/41/16/36/1071411636.db2.gz NTDIXVTZJSPNPV-UXHICEINSA-N 1 0 492.672 3.664 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313870902 1071415819 /nfs/dbraw/zinc/41/58/19/1071415819.db2.gz FXPVRXPFIDLOHS-ROUUACIJSA-N 1 0 465.568 3.533 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(=O)N(C)C)c2)C[C@H]1C ZINC001313871474 1071416793 /nfs/dbraw/zinc/41/67/93/1071416793.db2.gz UAKFLDMPYCBQSW-QZTJIDSGSA-N 1 0 482.032 3.663 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCSCCCO)C[C@@H]1C ZINC001313871684 1071418302 /nfs/dbraw/zinc/41/83/02/1071418302.db2.gz GYDXCBMWUFPLDT-ZWKOTPCHSA-N 1 0 452.068 3.557 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[NH+]1CCSCC1 ZINC001314950810 1071418939 /nfs/dbraw/zinc/41/89/39/1071418939.db2.gz ZKDNLQLWXFPRSR-OAHLLOKOSA-N 1 0 493.102 3.680 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[NH+]1CCC(C)CC1 ZINC001314952051 1071421836 /nfs/dbraw/zinc/42/18/36/1071421836.db2.gz SPUBOQFPTWXRKY-IRLDBZIGSA-N 1 0 470.662 3.585 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccc(C(F)F)n2)C[C@@H]1C ZINC001313871555 1071417405 /nfs/dbraw/zinc/41/74/05/1071417405.db2.gz UJZXGAVLKMJGHT-JKSUJKDBSA-N 1 0 487.555 3.657 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@@H]1C ZINC001313873109 1071424887 /nfs/dbraw/zinc/42/48/87/1071424887.db2.gz CFMCOYKEPWNFBR-VJANTYMQSA-N 1 0 470.584 3.688 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cccs2)C[C@H]1C ZINC001313874135 1071427177 /nfs/dbraw/zinc/42/71/77/1071427177.db2.gz MWDTXZKPUXMVSN-SJORKVTESA-N 1 0 488.608 3.558 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2ccnc2C)C[C@@H]1C ZINC001313874416 1071428685 /nfs/dbraw/zinc/42/86/85/1071428685.db2.gz NVGCSYNDNLJVIX-ZWKOTPCHSA-N 1 0 457.573 3.661 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(C)cc2)C[C@@H]1C ZINC001313874767 1071430421 /nfs/dbraw/zinc/43/04/21/1071430421.db2.gz KBDDVWIMXPIOON-VQTJNVASSA-N 1 0 482.654 3.576 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314956635 1071430657 /nfs/dbraw/zinc/43/06/57/1071430657.db2.gz BFHCWTBRZPSUDK-RTBURBONSA-N 1 0 475.081 3.851 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314956630 1071430722 /nfs/dbraw/zinc/43/07/22/1071430722.db2.gz BFHCWTBRZPSUDK-MOPGFXCFSA-N 1 0 475.081 3.851 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(CC(C)C)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001314958916 1071431944 /nfs/dbraw/zinc/43/19/44/1071431944.db2.gz SFVOUVTZDOOQJK-GGAORHGYSA-N 1 0 454.663 3.597 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001313876255 1071437426 /nfs/dbraw/zinc/43/74/26/1071437426.db2.gz IUHXZGFNZCNILW-NRFANRHFSA-N 1 0 482.673 3.859 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cc(C)nc4ccccc43)nnc2N(C)CCCS(C)(=O)=O)CC1 ZINC001313876214 1071437574 /nfs/dbraw/zinc/43/75/74/1071437574.db2.gz HPZYLTWXUJSBQY-UHFFFAOYSA-N 1 0 498.697 3.795 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313876485 1071438490 /nfs/dbraw/zinc/43/84/90/1071438490.db2.gz OYEFLJOHPSSVCK-VQTJNVASSA-N 1 0 482.595 3.969 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313876512 1071438503 /nfs/dbraw/zinc/43/85/03/1071438503.db2.gz PBRVDGLJCIHKKR-RTWAWAEBSA-N 1 0 486.661 3.918 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3C)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001313877268 1071439219 /nfs/dbraw/zinc/43/92/19/1071439219.db2.gz VRMHETZRMBGRRM-RBUKOAKNSA-N 1 0 450.587 3.633 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CC(=O)NC2CCCCC2)C[C@@H]1C ZINC001313875484 1071434848 /nfs/dbraw/zinc/43/48/48/1071434848.db2.gz LYCVRXGBMFXZBW-LEWJYISDSA-N 1 0 468.646 3.533 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314963367 1071440355 /nfs/dbraw/zinc/44/03/55/1071440355.db2.gz HEWQUFBFDRPDDD-MOPGFXCFSA-N 1 0 491.080 3.839 20 0 JHADRO CCN1C[C@H](CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](C)[NH+](CC)CC)Oc2ccccc21 ZINC001313875679 1071436144 /nfs/dbraw/zinc/43/61/44/1071436144.db2.gz IMAXPMKMVLLLRK-ZFGGDYGUSA-N 1 0 470.662 3.974 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CCn2cc(C)cn2)C[C@H]1C ZINC001313878750 1071445426 /nfs/dbraw/zinc/44/54/26/1071445426.db2.gz VIPWJARQTQNKBT-MOPGFXCFSA-N 1 0 458.010 3.635 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC001313877348 1071441564 /nfs/dbraw/zinc/44/15/64/1071441564.db2.gz XDHVMXBMVSAGAI-RBUKOAKNSA-N 1 0 480.613 3.528 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)C(=O)NC)C[C@H]1C ZINC001313877582 1071442475 /nfs/dbraw/zinc/44/24/75/1071442475.db2.gz RHJJDFRHZJWQBI-WOJBJXKFSA-N 1 0 484.689 3.846 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001313877781 1071443165 /nfs/dbraw/zinc/44/31/65/1071443165.db2.gz WIVYRRICRXTFFY-GOSISDBHSA-N 1 0 477.028 3.951 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CCn2cc(C)cn2)C[C@H]1C ZINC001313878755 1071445865 /nfs/dbraw/zinc/44/58/65/1071445865.db2.gz VIPWJARQTQNKBT-RTBURBONSA-N 1 0 458.010 3.635 20 0 JHADRO CCN1C[C@@H](CN(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)C[NH+](C)C)Oc2ccccc21 ZINC001313878288 1071444497 /nfs/dbraw/zinc/44/44/97/1071444497.db2.gz XGKSSHACNFRJSS-OFNKIYASSA-N 1 0 470.662 3.831 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCCOC2)C[C@H]1C ZINC001313878340 1071444508 /nfs/dbraw/zinc/44/45/08/1071444508.db2.gz UHRDZQYIOHSZTN-CEXWTWQISA-N 1 0 492.462 3.965 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001313877204 1071440800 /nfs/dbraw/zinc/44/08/00/1071440800.db2.gz RKBHYXPFFYRCNC-AZUAARDMSA-N 1 0 489.064 3.895 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001313877205 1071440852 /nfs/dbraw/zinc/44/08/52/1071440852.db2.gz RKBHYXPFFYRCNC-ICSRJNTNSA-N 1 0 489.064 3.895 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2sccc2C)C[C@@H]1C ZINC001313879106 1071446715 /nfs/dbraw/zinc/44/67/15/1071446715.db2.gz XTNJAQMOZHJGFD-IRXDYDNUSA-N 1 0 458.657 3.607 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313879240 1071448630 /nfs/dbraw/zinc/44/86/30/1071448630.db2.gz ZEKXZGNFVSTCDQ-VQTJNVASSA-N 1 0 456.635 3.621 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3CCCCO3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001313879286 1071449569 /nfs/dbraw/zinc/44/95/69/1071449569.db2.gz ACWKWMMZOLMRDB-FGZHOGPDSA-N 1 0 490.693 3.993 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001313879582 1071449895 /nfs/dbraw/zinc/44/98/95/1071449895.db2.gz GJAZBBSZYMKOPM-YADHBBJMSA-N 1 0 490.693 3.740 20 0 JHADRO CC[NH+]1CCC(CCn2c(CC(C)C)nnc2N2CCN(Cc3cccc(F)c3)C(=O)C2)CC1 ZINC001313880124 1071451890 /nfs/dbraw/zinc/45/18/90/1071451890.db2.gz PAHBBWSVHJRWCU-UHFFFAOYSA-N 1 0 470.637 3.587 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccnc3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001313881041 1071454050 /nfs/dbraw/zinc/45/40/50/1071454050.db2.gz NYXHUBTVHRKFRY-KNQAVFIVSA-N 1 0 483.661 3.812 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001313882468 1071458409 /nfs/dbraw/zinc/45/84/09/1071458409.db2.gz XOONKFSYWVODNB-HSZRJFAPSA-N 1 0 483.657 3.985 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC001313882816 1071459591 /nfs/dbraw/zinc/45/95/91/1071459591.db2.gz MWAVHQITEWDHGN-OAQYLSRUSA-N 1 0 488.627 3.622 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001313882958 1071459624 /nfs/dbraw/zinc/45/96/24/1071459624.db2.gz BXAHHVJMYRKHOF-JRFVFWCSSA-N 1 0 482.673 3.729 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccccc3OC)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001313883579 1071461975 /nfs/dbraw/zinc/46/19/75/1071461975.db2.gz UETYSZZTWYBWGO-RDPSFJRHSA-N 1 0 455.647 3.861 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(COC)CCCC2)C[C@H]1C ZINC001313884825 1071464044 /nfs/dbraw/zinc/46/40/44/1071464044.db2.gz NPWPDODBCLSXGR-CZYKHXBRSA-N 1 0 463.667 3.518 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(C)cc2C)C[C@@H]1C ZINC001313885381 1071465935 /nfs/dbraw/zinc/46/59/35/1071465935.db2.gz OTYFHEVEUFRFFU-WMIMKTLMSA-N 1 0 455.647 3.781 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(C3CCC3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001314976105 1071466896 /nfs/dbraw/zinc/46/68/96/1071466896.db2.gz HWHBQQKBNCLVQY-HXUWFJFHSA-N 1 0 452.628 3.906 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@@H]1C ZINC001313885871 1071468155 /nfs/dbraw/zinc/46/81/55/1071468155.db2.gz QRPAJWKOPLFQDT-SFTDATJTSA-N 1 0 495.672 3.994 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)C1 ZINC001313886186 1071468861 /nfs/dbraw/zinc/46/88/61/1071468861.db2.gz MTBAFBIZEZCBFM-MOPGFXCFSA-N 1 0 459.038 3.633 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3OC)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313886070 1071468998 /nfs/dbraw/zinc/46/89/98/1071468998.db2.gz LXOGPISIJAVWKR-WOJBJXKFSA-N 1 0 484.645 3.741 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(CC(C)C)nnc2N2CCC(NC(=O)c3ccc(C)s3)CC2)C1 ZINC001313887228 1071473228 /nfs/dbraw/zinc/47/32/28/1071473228.db2.gz HYBKMSDYORNCJV-LJQANCHMSA-N 1 0 458.676 3.587 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)C1 ZINC001313887253 1071473509 /nfs/dbraw/zinc/47/35/09/1071473509.db2.gz ICVVQGHMTIXGEK-URVUXULASA-N 1 0 490.693 3.644 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)C1 ZINC001313887837 1071474290 /nfs/dbraw/zinc/47/42/90/1071474290.db2.gz LFQKFTXFCYROLX-SJORKVTESA-N 1 0 486.533 3.562 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001313888551 1071477805 /nfs/dbraw/zinc/47/78/05/1071477805.db2.gz WOWZXXSFAHRSOG-PMACEKPBSA-N 1 0 458.676 3.666 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)C1 ZINC001313888693 1071478416 /nfs/dbraw/zinc/47/84/16/1071478416.db2.gz CYILBLCDSAVNPN-HSZRJFAPSA-N 1 0 498.672 3.812 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001314980868 1071483499 /nfs/dbraw/zinc/48/34/99/1071483499.db2.gz WTHHFEOXIDRIJF-OFNKIYASSA-N 1 0 482.673 3.679 20 0 JHADRO CNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC001314981289 1071484142 /nfs/dbraw/zinc/48/41/42/1071484142.db2.gz DWAYUISWCMHITE-QHCPKHFHSA-N 1 0 466.674 3.977 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 ZINC001313891606 1071485273 /nfs/dbraw/zinc/48/52/73/1071485273.db2.gz YFWLJQIZIUJEIJ-XZOQPEGZSA-N 1 0 482.673 3.509 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCCC2)C1 ZINC001314985623 1071493018 /nfs/dbraw/zinc/49/30/18/1071493018.db2.gz MWPJHQPRYZEFQZ-FCHUYYIVSA-N 1 0 482.673 3.872 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001313894389 1071493535 /nfs/dbraw/zinc/49/35/35/1071493535.db2.gz VODDOUHFTMLSIW-GOSISDBHSA-N 1 0 456.944 3.767 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(C)c1 ZINC001313894770 1071494131 /nfs/dbraw/zinc/49/41/31/1071494131.db2.gz CIWACDBQJGKBNG-OAHLLOKOSA-N 1 0 464.437 3.623 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(C)c1 ZINC001313894769 1071494148 /nfs/dbraw/zinc/49/41/48/1071494148.db2.gz CIWACDBQJGKBNG-HNNXBMFYSA-N 1 0 464.437 3.623 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCC[N@@H+]2CC)cn1 ZINC001313894860 1071495041 /nfs/dbraw/zinc/49/50/41/1071495041.db2.gz XKDGJQMIVVIUDK-UYAOXDASSA-N 1 0 455.582 3.894 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313895204 1071495744 /nfs/dbraw/zinc/49/57/44/1071495744.db2.gz YYAMQWDNJNEYPS-PWRODBHTSA-N 1 0 486.636 3.735 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313895333 1071496354 /nfs/dbraw/zinc/49/63/54/1071496354.db2.gz GTZDCSRAQMLBOI-DEOSSOPVSA-N 1 0 482.673 3.913 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001313895847 1071497751 /nfs/dbraw/zinc/49/77/51/1071497751.db2.gz KWCJSYWYBRVCRW-AYLZSAKASA-N 1 0 473.046 3.852 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001313895659 1071497845 /nfs/dbraw/zinc/49/78/45/1071497845.db2.gz BCNFBNNKVHHVOQ-QFIPXVFZSA-N 1 0 454.619 3.591 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001314987152 1071498173 /nfs/dbraw/zinc/49/81/73/1071498173.db2.gz AFHAZGCMYYIJDJ-IRLDBZIGSA-N 1 0 454.663 3.740 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001313896152 1071499498 /nfs/dbraw/zinc/49/94/98/1071499498.db2.gz MNEMYDASWDWFRA-SFTDATJTSA-N 1 0 459.660 3.705 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001314987905 1071500285 /nfs/dbraw/zinc/50/02/85/1071500285.db2.gz HXGXYMQPSJJKFT-UYAOXDASSA-N 1 0 490.599 3.773 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001314988010 1071500905 /nfs/dbraw/zinc/50/09/05/1071500905.db2.gz JMJFFHZEOOPZRC-QFIPXVFZSA-N 1 0 464.614 3.697 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313896892 1071500987 /nfs/dbraw/zinc/50/09/87/1071500987.db2.gz SLNPFQSPKXPGGZ-FQEVSTJZSA-N 1 0 489.686 3.617 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314988740 1071502143 /nfs/dbraw/zinc/50/21/43/1071502143.db2.gz MAGQJENSXGHJCF-WSTZPKSXSA-N 1 0 490.599 3.629 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC001313899099 1071507241 /nfs/dbraw/zinc/50/72/41/1071507241.db2.gz GIYSYSZNOXIPNI-MOPGFXCFSA-N 1 0 479.572 3.903 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313899269 1071507999 /nfs/dbraw/zinc/50/79/99/1071507999.db2.gz IKRLYNOLLRYSMD-MOPGFXCFSA-N 1 0 460.648 3.518 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001314993115 1071509726 /nfs/dbraw/zinc/50/97/26/1071509726.db2.gz FQYGYIZDSFKURZ-XZOQPEGZSA-N 1 0 482.673 3.701 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313900782 1071510057 /nfs/dbraw/zinc/51/00/57/1071510057.db2.gz PHCCMJTVXTUJPN-GGAORHGYSA-N 1 0 487.092 3.995 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCOC)CC1CC1 ZINC001313900756 1071510418 /nfs/dbraw/zinc/51/04/18/1071510418.db2.gz RZVDAKHTMDYFTR-QFIPXVFZSA-N 1 0 490.693 3.740 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001313903033 1071514703 /nfs/dbraw/zinc/51/47/03/1071514703.db2.gz KWHXPMSJHQDIMK-HSZRJFAPSA-N 1 0 482.673 3.699 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313902307 1071513052 /nfs/dbraw/zinc/51/30/52/1071513052.db2.gz FJMWBVNXLSTHJD-NRFANRHFSA-N 1 0 484.645 3.707 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001313904748 1071520056 /nfs/dbraw/zinc/52/00/56/1071520056.db2.gz LMSYIUIWYAWKBN-PWRODBHTSA-N 1 0 451.656 3.660 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 ZINC001313905137 1071520452 /nfs/dbraw/zinc/52/04/52/1071520452.db2.gz NKGPTRLVDIGZQL-WSTZPKSXSA-N 1 0 488.658 3.706 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)Cc1ccccn1 ZINC001313904656 1071519104 /nfs/dbraw/zinc/51/91/04/1071519104.db2.gz KERLTUVZSMUJJP-NRFANRHFSA-N 1 0 480.613 3.877 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnc(C)s1 ZINC001313906851 1071525948 /nfs/dbraw/zinc/52/59/48/1071525948.db2.gz SCOHZJVCNOHJST-CEXWTWQISA-N 1 0 489.690 3.934 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001313905321 1071521470 /nfs/dbraw/zinc/52/14/70/1071521470.db2.gz WEJTXAGRHPCOSC-IBGZPJMESA-N 1 0 475.037 3.997 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313905601 1071522017 /nfs/dbraw/zinc/52/20/17/1071522017.db2.gz VZZRTNABYBDDDS-UPVQGACJSA-N 1 0 471.646 3.588 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313906102 1071523419 /nfs/dbraw/zinc/52/34/19/1071523419.db2.gz SLJYCOATTPLBTN-OALUTQOASA-N 1 0 495.466 3.540 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313905989 1071523602 /nfs/dbraw/zinc/52/36/02/1071523602.db2.gz WXMUZMYSRFWEOR-REWPJTCUSA-N 1 0 482.673 3.696 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001315002165 1071526458 /nfs/dbraw/zinc/52/64/58/1071526458.db2.gz UHFZZXLTINXLGD-SKCUWOTOSA-N 1 0 480.701 3.926 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C)CC1 ZINC001313907312 1071527585 /nfs/dbraw/zinc/52/75/85/1071527585.db2.gz BQBCZXQUEGZIAR-TZIWHRDSSA-N 1 0 459.660 3.849 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313908207 1071529722 /nfs/dbraw/zinc/52/97/22/1071529722.db2.gz BLVSRNBTDSNQCE-AZUAARDMSA-N 1 0 470.643 3.749 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001313909204 1071531970 /nfs/dbraw/zinc/53/19/70/1071531970.db2.gz CFTCKHXCCZQPAF-NHCUHLMSSA-N 1 0 476.666 3.697 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001313909847 1071533326 /nfs/dbraw/zinc/53/33/26/1071533326.db2.gz SGKFSUDEFPKCDD-GOSISDBHSA-N 1 0 496.607 3.897 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCCSC ZINC001313909973 1071533820 /nfs/dbraw/zinc/53/38/20/1071533820.db2.gz IUCXHPRKHNXZRE-KRWDZBQOSA-N 1 0 455.632 3.658 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001313911555 1071537662 /nfs/dbraw/zinc/53/76/62/1071537662.db2.gz CYTSRMCZWCTBBK-UHOSZYNNSA-N 1 0 457.541 3.575 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313912191 1071539590 /nfs/dbraw/zinc/53/95/90/1071539590.db2.gz UZQABECCFZJJSZ-RXVVDRJESA-N 1 0 474.675 3.655 20 0 JHADRO CCN1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1=O ZINC001313912896 1071541132 /nfs/dbraw/zinc/54/11/32/1071541132.db2.gz ICOZXDIMVXUQBA-OFNKIYASSA-N 1 0 486.636 3.736 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC(NC(=O)c3ccsc3)CC2)nnc1C(C)(C)C ZINC001313913069 1071541794 /nfs/dbraw/zinc/54/17/94/1071541794.db2.gz KEJQAFMKDYFGAB-HXUWFJFHSA-N 1 0 458.676 3.910 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](OC)C1 ZINC001313913754 1071544802 /nfs/dbraw/zinc/54/48/02/1071544802.db2.gz LSLWLIMLEIWQMA-WOZUAGRISA-N 1 0 476.666 3.538 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC(C)C)CC1 ZINC001313914257 1071545109 /nfs/dbraw/zinc/54/51/09/1071545109.db2.gz LZAAEESRTIQXHF-RBZQAINGSA-N 1 0 490.737 3.618 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](c2ccco2)[NH+](C)C)CC1=O ZINC001313913226 1071542780 /nfs/dbraw/zinc/54/27/80/1071542780.db2.gz KPBKECHRFSWAHC-IBGZPJMESA-N 1 0 474.968 3.692 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313915153 1071549828 /nfs/dbraw/zinc/54/98/28/1071549828.db2.gz QDFNUXYOSKUNCS-FUHWJXTLSA-N 1 0 495.455 3.740 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccsc2)[NH+](CC)CC)CC1=O ZINC001313916279 1071552473 /nfs/dbraw/zinc/55/24/73/1071552473.db2.gz XNTSWWGQCQFQTI-NRFANRHFSA-N 1 0 467.643 3.543 20 0 JHADRO CCN1CCCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(C)(C)C[NH+](C)C)CC1=O ZINC001313917106 1071554217 /nfs/dbraw/zinc/55/42/17/1071554217.db2.gz SBBDGMUEZDZBEG-SFHVURJKSA-N 1 0 472.703 3.778 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313919440 1071556796 /nfs/dbraw/zinc/55/67/96/1071556796.db2.gz BNLCEIHIENTZSW-MRXNPFEDSA-N 1 0 490.450 3.600 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313919411 1071556844 /nfs/dbraw/zinc/55/68/44/1071556844.db2.gz AVJSTNMKCBWMOT-DYXWJJEUSA-N 1 0 476.666 3.525 20 0 JHADRO CCN1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)C[NH+](C)C)CC1=O ZINC001313921167 1071560685 /nfs/dbraw/zinc/56/06/85/1071560685.db2.gz LCVVJUBYJFTOGL-UHFFFAOYSA-N 1 0 484.689 3.801 20 0 JHADRO CCN1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1=O ZINC001313920960 1071560733 /nfs/dbraw/zinc/56/07/33/1071560733.db2.gz LOPSGDMHMANUPS-UHFFFAOYSA-N 1 0 495.697 3.581 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001313921320 1071561202 /nfs/dbraw/zinc/56/12/02/1071561202.db2.gz PQKHNOHGFLDFJH-NRFANRHFSA-N 1 0 492.716 3.947 20 0 JHADRO CCN1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC001313922156 1071563860 /nfs/dbraw/zinc/56/38/60/1071563860.db2.gz SEIZFKRPPDSQCB-HSZRJFAPSA-N 1 0 482.673 3.653 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC=C(C)C2)CC1 ZINC001313922963 1071565603 /nfs/dbraw/zinc/56/56/03/1071565603.db2.gz ZAAHUMWSXJUNNU-SFTDATJTSA-N 1 0 456.610 3.740 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313924392 1071570182 /nfs/dbraw/zinc/57/01/82/1071570182.db2.gz DSSWZXGBFSSKLN-MOPGFXCFSA-N 1 0 498.569 3.658 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001313923475 1071567573 /nfs/dbraw/zinc/56/75/73/1071567573.db2.gz NAQLXCJKHMIWEM-VWNXMTODSA-N 1 0 481.689 3.798 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)[C@H](C)c2ccco2)CC1 ZINC001313923921 1071568716 /nfs/dbraw/zinc/56/87/16/1071568716.db2.gz AVADEBNFYVMBNJ-WOJBJXKFSA-N 1 0 452.603 3.770 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001313925823 1071574979 /nfs/dbraw/zinc/57/49/79/1071574979.db2.gz BBBKQQFSABBHFX-ISKFKSNPSA-N 1 0 452.691 3.962 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001313925825 1071575007 /nfs/dbraw/zinc/57/50/07/1071575007.db2.gz BBBKQQFSABBHFX-UPVQGACJSA-N 1 0 452.691 3.962 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CC3)nnc2N(C)Cc2csc(Br)c2)CC1 ZINC001313926063 1071575028 /nfs/dbraw/zinc/57/50/28/1071575028.db2.gz BSPNPHNNQARLMV-HNNXBMFYSA-N 1 0 467.481 3.642 20 0 JHADRO CNC(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001315043890 1071576171 /nfs/dbraw/zinc/57/61/71/1071576171.db2.gz NROKWOSCNQITSI-SFTDATJTSA-N 1 0 486.636 3.642 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001313926304 1071576321 /nfs/dbraw/zinc/57/63/21/1071576321.db2.gz WZDWSTMOGCXTKI-QHAWAJNXSA-N 1 0 470.662 3.613 20 0 JHADRO CNC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001315044964 1071576642 /nfs/dbraw/zinc/57/66/42/1071576642.db2.gz LKQZFNCNDJHGMC-MOPGFXCFSA-N 1 0 459.038 3.825 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001313927092 1071579357 /nfs/dbraw/zinc/57/93/57/1071579357.db2.gz ZYXCXLOBJJTDMN-OAHLLOKOSA-N 1 0 453.418 3.772 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315055096 1071580057 /nfs/dbraw/zinc/58/00/57/1071580057.db2.gz WVXRSUIMZYCUGU-SFHVURJKSA-N 1 0 474.053 3.570 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001313927357 1071580160 /nfs/dbraw/zinc/58/01/60/1071580160.db2.gz JWMVXVZLZFFGTI-VXKWHMMOSA-N 1 0 454.638 3.827 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313927579 1071580631 /nfs/dbraw/zinc/58/06/31/1071580631.db2.gz MJFSJFNUXNGQCZ-HSZRJFAPSA-N 1 0 452.647 3.738 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313927860 1071581836 /nfs/dbraw/zinc/58/18/36/1071581836.db2.gz PKRCZOXRBBYQGN-KAOXLYBCSA-N 1 0 492.778 3.945 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CCCC3)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001313928009 1071581865 /nfs/dbraw/zinc/58/18/65/1071581865.db2.gz LDZCOVDFOSDQIH-QGZVFWFLSA-N 1 0 479.467 3.954 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313928127 1071582439 /nfs/dbraw/zinc/58/24/39/1071582439.db2.gz QOMXDUTYPCYDOS-BDTNDASRSA-N 1 0 490.643 3.919 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315057286 1071582417 /nfs/dbraw/zinc/58/24/17/1071582417.db2.gz QMJCCJSRHAKWTA-IBGZPJMESA-N 1 0 474.053 3.572 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313928128 1071582546 /nfs/dbraw/zinc/58/25/46/1071582546.db2.gz QOMXDUTYPCYDOS-BHIFYINESA-N 1 0 490.643 3.919 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001313928281 1071583280 /nfs/dbraw/zinc/58/32/80/1071583280.db2.gz TYSXSBDMKVDHQW-KCWPFWIISA-N 1 0 484.689 3.505 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC001313928592 1071583763 /nfs/dbraw/zinc/58/37/63/1071583763.db2.gz BTFVBNAMYXFVQR-IRXDYDNUSA-N 1 0 455.525 3.600 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001313929322 1071586837 /nfs/dbraw/zinc/58/68/37/1071586837.db2.gz YYTKTVDVYMMPCZ-XPWALMASSA-N 1 0 486.730 3.830 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313929067 1071586146 /nfs/dbraw/zinc/58/61/46/1071586146.db2.gz XDXHHADDGFPSJP-QFIPXVFZSA-N 1 0 486.730 3.832 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001315074715 1071587023 /nfs/dbraw/zinc/58/70/23/1071587023.db2.gz SHXGYUMICGBREE-IEBWSBKVSA-N 1 0 461.010 3.503 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCC(=O)NC2CC2)C[C@H]1C ZINC001313929787 1071587368 /nfs/dbraw/zinc/58/73/68/1071587368.db2.gz JNZVFVDLWMGEIO-CTNGQTDRSA-N 1 0 468.646 3.624 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2ccnc2C)C[C@H]1C ZINC001313931296 1071592049 /nfs/dbraw/zinc/59/20/49/1071592049.db2.gz QVXZTSGVGGJTBI-QZTJIDSGSA-N 1 0 458.010 3.807 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(-c3ccsc3)nc2)C[C@H]1C ZINC001313929740 1071587554 /nfs/dbraw/zinc/58/75/54/1071587554.db2.gz IRCMTVRUYOJQGR-RTBURBONSA-N 1 0 470.643 3.704 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313930073 1071587957 /nfs/dbraw/zinc/58/79/57/1071587957.db2.gz VAGBLAMIPFKTLN-NFBKMPQASA-N 1 0 474.694 3.612 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(CC(C)C)n2CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001315078332 1071588873 /nfs/dbraw/zinc/58/88/73/1071588873.db2.gz NFWBZIBWTMGSDB-HXUWFJFHSA-N 1 0 459.660 3.840 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001315081902 1071590879 /nfs/dbraw/zinc/59/08/79/1071590879.db2.gz YXZTVGOKYJJAQA-NNWRFLSQSA-N 1 0 469.630 3.765 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001313933517 1071597729 /nfs/dbraw/zinc/59/77/29/1071597729.db2.gz ZKDNPCGSKNNNNX-AUSIDOKSSA-N 1 0 476.616 3.850 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNC(=O)c2occc2C)C[C@@H]1C ZINC001313932021 1071594871 /nfs/dbraw/zinc/59/48/71/1071594871.db2.gz GZKPOKIBUPLBMS-SFHVURJKSA-N 1 0 471.005 3.850 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C ZINC001313933143 1071596923 /nfs/dbraw/zinc/59/69/23/1071596923.db2.gz KDEUUHVUIBRMIR-IBGZPJMESA-N 1 0 484.645 3.884 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccccc2OC)C[C@H]1C ZINC001313933622 1071598641 /nfs/dbraw/zinc/59/86/41/1071598641.db2.gz LULAQJCJYHIDCX-MRXNPFEDSA-N 1 0 473.419 3.633 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC2(F)CCC2)C[C@H]1C ZINC001313934319 1071601776 /nfs/dbraw/zinc/60/17/76/1071601776.db2.gz RGFJTKIVPGBKAB-OAHLLOKOSA-N 1 0 453.404 3.859 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnc(C)s2)C[C@H]1C ZINC001313934636 1071602430 /nfs/dbraw/zinc/60/24/30/1071602430.db2.gz UNCJKSFKKGTKGF-LLVKDONJSA-N 1 0 468.450 3.508 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001313935346 1071604731 /nfs/dbraw/zinc/60/47/31/1071604731.db2.gz YMIKSYAIGMIOLP-GOSISDBHSA-N 1 0 499.457 3.602 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(CCOC)CCC2)C[C@@H]1C ZINC001313935754 1071606708 /nfs/dbraw/zinc/60/67/08/1071606708.db2.gz YEQMISVQPNUPLP-IBGZPJMESA-N 1 0 457.619 3.700 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccco2)C[C@H]1C ZINC001313936314 1071607870 /nfs/dbraw/zinc/60/78/70/1071607870.db2.gz DFNIYBFMYKCOKC-MOPGFXCFSA-N 1 0 458.607 3.564 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCCC3)n2CCc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC001313936323 1071608017 /nfs/dbraw/zinc/60/80/17/1071608017.db2.gz DHDCIEJVWKOSKS-SFHVURJKSA-N 1 0 457.619 3.735 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](Cc2ccccc2)OC)C[C@@H]1C ZINC001313936769 1071608548 /nfs/dbraw/zinc/60/85/48/1071608548.db2.gz PYVJIKQLBZWQKV-RXVVDRJESA-N 1 0 455.006 3.782 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCOC)C[C@H]1C ZINC001313937382 1071610736 /nfs/dbraw/zinc/61/07/36/1071610736.db2.gz LWBHQMKKXUMBOE-RTWAWAEBSA-N 1 0 478.682 3.740 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313937459 1071610760 /nfs/dbraw/zinc/61/07/60/1071610760.db2.gz UQIPWXRGNUMNFY-MRXNPFEDSA-N 1 0 456.978 3.589 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Oc2cccc(OC)c2)C[C@H]1C ZINC001313941494 1071617561 /nfs/dbraw/zinc/61/75/61/1071617561.db2.gz VMQMPWOZSIHDTA-MSOLQXFVSA-N 1 0 470.643 3.640 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313941839 1071618153 /nfs/dbraw/zinc/61/81/53/1071618153.db2.gz YBYQVWZJUPGFHG-RBUKOAKNSA-N 1 0 476.691 3.964 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCc2nc(C)cs2)C[C@H]1C ZINC001313941658 1071618288 /nfs/dbraw/zinc/61/82/88/1071618288.db2.gz FCCBEBHAQCXOBP-GOSISDBHSA-N 1 0 487.699 3.588 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC(C)C)c2ccccc2OC)C[C@H]1C ZINC001313942074 1071619722 /nfs/dbraw/zinc/61/97/22/1071619722.db2.gz YXXJWCYICIUQNZ-BWKNWUBXSA-N 1 0 478.641 3.969 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313942798 1071621348 /nfs/dbraw/zinc/62/13/48/1071621348.db2.gz ODVCETRTRZBNTK-LEWJYISDSA-N 1 0 486.661 3.857 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313942800 1071621438 /nfs/dbraw/zinc/62/14/38/1071621438.db2.gz ODVCETRTRZBNTK-RTWAWAEBSA-N 1 0 486.661 3.857 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CCC(C)C)C2)CC1 ZINC001313945897 1071627295 /nfs/dbraw/zinc/62/72/95/1071627295.db2.gz WZMCWMBNNNCQID-UNMCSNQZSA-N 1 0 458.626 3.820 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC(C)C)C2)CC1 ZINC001313946006 1071627462 /nfs/dbraw/zinc/62/74/62/1071627462.db2.gz XKHWJRKDNZVZLU-GOTSBHOMSA-N 1 0 454.663 3.907 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)C)n3C[C@@H](OC(C)C)c3ccccc3OC)C2)CC1 ZINC001313944252 1071624502 /nfs/dbraw/zinc/62/45/02/1071624502.db2.gz ZBJCAMXXXJHNCO-RCZVLFRGSA-N 1 0 484.689 3.793 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC(O)(CC)CC)C2)CC1 ZINC001313944797 1071624871 /nfs/dbraw/zinc/62/48/71/1071624871.db2.gz GNCTZIHCCPHOCM-RPWUZVMVSA-N 1 0 498.716 3.802 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC(C)C)C2)CC1 ZINC001313946007 1071628034 /nfs/dbraw/zinc/62/80/34/1071628034.db2.gz XKHWJRKDNZVZLU-PKTZIBPZSA-N 1 0 454.663 3.907 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3sccc3Br)C2)CC1 ZINC001313946931 1071630516 /nfs/dbraw/zinc/63/05/16/1071630516.db2.gz IAHWOSBKHUKOEA-KRWDZBQOSA-N 1 0 481.508 3.565 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313947718 1071632972 /nfs/dbraw/zinc/63/29/72/1071632972.db2.gz XYGIJXFALVAXRH-KRWDZBQOSA-N 1 0 496.578 3.698 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)C[C@@H]1C ZINC001313948189 1071633351 /nfs/dbraw/zinc/63/33/51/1071633351.db2.gz JYXGTYAUGVXHLN-PCCBWWKXSA-N 1 0 457.619 3.601 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001313951995 1071643710 /nfs/dbraw/zinc/64/37/10/1071643710.db2.gz CKIKDHXPTGAOHA-LJQANCHMSA-N 1 0 479.595 3.783 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCCCCC2)CC1 ZINC001313952118 1071644371 /nfs/dbraw/zinc/64/43/71/1071644371.db2.gz XXPYDZYHZDTCPX-LJQANCHMSA-N 1 0 492.510 3.700 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001313952329 1071644861 /nfs/dbraw/zinc/64/48/61/1071644861.db2.gz DTKTVBMYXIJIMA-GOSISDBHSA-N 1 0 467.584 3.716 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001313952679 1071646552 /nfs/dbraw/zinc/64/65/52/1071646552.db2.gz TWHTVYCRHVWQQC-URVUXULASA-N 1 0 476.616 3.769 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001313953711 1071649440 /nfs/dbraw/zinc/64/94/40/1071649440.db2.gz IKBWZRPGPUURQL-LJQANCHMSA-N 1 0 481.110 3.941 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCC=C(Br)C2)CC1 ZINC001313954095 1071650727 /nfs/dbraw/zinc/65/07/27/1071650727.db2.gz NIKYAODCRXQRHV-UHFFFAOYSA-N 1 0 467.500 3.773 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001313955922 1071656796 /nfs/dbraw/zinc/65/67/96/1071656796.db2.gz WEKCRGUPQIFGNV-CTNGQTDRSA-N 1 0 494.606 3.711 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2CCC(c3ccc(O)cc3)CC2)CC1 ZINC001313955786 1071656812 /nfs/dbraw/zinc/65/68/12/1071656812.db2.gz IMNHQHBTONDLOD-QFIPXVFZSA-N 1 0 468.690 3.840 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC3CCCC3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313955028 1071654106 /nfs/dbraw/zinc/65/41/06/1071654106.db2.gz DJYITGONVRNODR-SFHLNBCPSA-N 1 0 470.628 3.919 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313955278 1071654847 /nfs/dbraw/zinc/65/48/47/1071654847.db2.gz QXGZVVADKOPXMI-ZJOUEHCJSA-N 1 0 476.616 3.531 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCS[C@@H](C)C2)CC1 ZINC001313955587 1071656267 /nfs/dbraw/zinc/65/62/67/1071656267.db2.gz SZUUGTCAZZDHAK-MOPGFXCFSA-N 1 0 463.095 3.814 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313955775 1071656660 /nfs/dbraw/zinc/65/66/60/1071656660.db2.gz IIVLAHIRESIZDH-LJQANCHMSA-N 1 0 458.701 3.902 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(Cn3nc(C)cc3C)CC2)CC1 ZINC001313956083 1071657497 /nfs/dbraw/zinc/65/74/97/1071657497.db2.gz KCCISERSGCJKCJ-QFIPXVFZSA-N 1 0 498.764 3.870 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC001313957136 1071659435 /nfs/dbraw/zinc/65/94/35/1071659435.db2.gz QCVIFVVKVOQKBI-UHFFFAOYSA-N 1 0 460.642 3.678 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313957537 1071660700 /nfs/dbraw/zinc/66/07/00/1071660700.db2.gz WAMYMPDWLJBXTK-QPPBQGQZSA-N 1 0 470.662 3.753 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313957538 1071660799 /nfs/dbraw/zinc/66/07/99/1071660799.db2.gz WAMYMPDWLJBXTK-URXFXBBRSA-N 1 0 470.662 3.753 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313957955 1071662382 /nfs/dbraw/zinc/66/23/82/1071662382.db2.gz SRTWGGXVOZBXKH-QFQXNSOFSA-N 1 0 488.746 3.845 20 0 JHADRO CCn1nc(-c2nnc(N(C)[C@H](C)CCSC)n2CC2([NH+](C)C)CCC2)c2ccccc2c1=O ZINC001313958382 1071663452 /nfs/dbraw/zinc/66/34/52/1071663452.db2.gz BKFAYGMPUYQSTL-GOSISDBHSA-N 1 0 483.686 3.737 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313958471 1071664130 /nfs/dbraw/zinc/66/41/30/1071664130.db2.gz XCIKGDCSGURNBY-DVECYGJZSA-N 1 0 459.708 3.534 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3C)nnc2N(C)[C@H](C)c2ccco2)CC1 ZINC001313960109 1071668573 /nfs/dbraw/zinc/66/85/73/1071668573.db2.gz DQYOYDCAHNUBSN-JOCHJYFZSA-N 1 0 450.631 3.995 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC001313958785 1071664675 /nfs/dbraw/zinc/66/46/75/1071664675.db2.gz YBGKMBYLEKULAL-NRFANRHFSA-N 1 0 497.732 3.832 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(CC)(CC)C2)CC1 ZINC001313959098 1071665720 /nfs/dbraw/zinc/66/57/20/1071665720.db2.gz ZKKJFOQFYXFLNF-JOCHJYFZSA-N 1 0 453.679 3.554 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(OC)c3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313959751 1071667425 /nfs/dbraw/zinc/66/74/25/1071667425.db2.gz CECRENXYFHSGIF-XMMPIXPASA-N 1 0 484.689 3.765 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313960377 1071669765 /nfs/dbraw/zinc/66/97/65/1071669765.db2.gz KFQYIJIQQMXQEV-KAOXLYBCSA-N 1 0 460.711 3.707 20 0 JHADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CCC(OC3CCC(C)CC3)CC2)CC1 ZINC001313960363 1071669954 /nfs/dbraw/zinc/66/99/54/1071669954.db2.gz JWKAPXFROLUASF-UHFFFAOYSA-N 1 0 460.711 3.993 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001313961082 1071671660 /nfs/dbraw/zinc/67/16/60/1071671660.db2.gz QBZGGNSBVXGFCI-RTWAWAEBSA-N 1 0 458.626 3.506 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC=C(C)C2)CC1 ZINC001313961232 1071672123 /nfs/dbraw/zinc/67/21/23/1071672123.db2.gz RVJSTSLXJGEETJ-NRFANRHFSA-N 1 0 456.610 3.741 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001313961541 1071672670 /nfs/dbraw/zinc/67/26/70/1071672670.db2.gz ULJOYISSJOQPAB-GOTSBHOMSA-N 1 0 486.730 3.832 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001313961526 1071672814 /nfs/dbraw/zinc/67/28/14/1071672814.db2.gz UFOQIVXXJLYBPQ-XMMPIXPASA-N 1 0 486.730 3.768 20 0 JHADRO CCn1nc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313965755 1071684622 /nfs/dbraw/zinc/68/46/22/1071684622.db2.gz DUCVIBFCWGZKLO-NFQMXDRXSA-N 1 0 495.672 3.657 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001313973761 1071701115 /nfs/dbraw/zinc/70/11/15/1071701115.db2.gz NYCUPTHCBNAKGX-NRFANRHFSA-N 1 0 466.674 3.536 20 0 JHADRO CCNC(=O)C1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001313975562 1071705933 /nfs/dbraw/zinc/70/59/33/1071705933.db2.gz SMTISIVXNMZVCM-UHFFFAOYSA-N 1 0 468.646 3.571 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC001313984929 1071722666 /nfs/dbraw/zinc/72/26/66/1071722666.db2.gz INVSNOLCCXGDNI-MOPGFXCFSA-N 1 0 466.655 3.647 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCCC[NH+]2CCCC2)CC1 ZINC001313995383 1071731220 /nfs/dbraw/zinc/73/12/20/1071731220.db2.gz XJWFTELUZVROFI-UHFFFAOYSA-N 1 0 492.043 3.855 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001314012364 1071747735 /nfs/dbraw/zinc/74/77/35/1071747735.db2.gz FYINVFWOGVDXCD-UHFFFAOYSA-N 1 0 484.645 3.591 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001314013236 1071750194 /nfs/dbraw/zinc/75/01/94/1071750194.db2.gz RRCQMNABMXATOJ-UHFFFAOYSA-N 1 0 483.661 3.970 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001314017252 1071761628 /nfs/dbraw/zinc/76/16/28/1071761628.db2.gz FBZOWMAUDAIFDD-UHFFFAOYSA-N 1 0 497.688 3.976 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001314019585 1071768324 /nfs/dbraw/zinc/76/83/24/1071768324.db2.gz YCJXYFOGZUFNPT-JOCHJYFZSA-N 1 0 497.669 3.685 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2CC[N@H+](C)[C@H](C)CC)CC1 ZINC001314019944 1071769984 /nfs/dbraw/zinc/76/99/84/1071769984.db2.gz PPGIHWOVIPTPMX-QGZVFWFLSA-N 1 0 493.450 3.716 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314022070 1071775362 /nfs/dbraw/zinc/77/53/62/1071775362.db2.gz GZZCEOFLGKMBLK-QFIPXVFZSA-N 1 0 482.673 3.852 20 0 JHADRO 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CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC2(OC)CCCCC2)CCOC1 ZINC001314128012 1072038895 /nfs/dbraw/zinc/03/88/95/1072038895.db2.gz ZVFDSTUITFFUKJ-RUZDIDTESA-N 1 0 463.667 3.590 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2(OC)CCCCC2)CCOC1 ZINC001314133166 1072045189 /nfs/dbraw/zinc/04/51/89/1072045189.db2.gz ACOXSJSRDWLWDZ-SANMLTNESA-N 1 0 477.694 3.838 20 0 JHADRO CCO[C@]1(c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2Cc2cccc(C[N@H+](C)CC)c2)CCOC1 ZINC001314143732 1072059062 /nfs/dbraw/zinc/05/90/62/1072059062.db2.gz WOBILGBXDPGFHW-WNCULLNHSA-N 1 0 485.673 3.682 20 0 JHADRO CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001305927177 1068224933 /nfs/dbraw/zinc/22/49/33/1068224933.db2.gz BUEBZCIVUXCAMS-NNMXDRDESA-N 1 0 494.606 3.690 20 0 JHADRO CCc1ccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CCCC[NH+]2CCN(CC)CC2)cc1 ZINC001305928427 1068227224 /nfs/dbraw/zinc/22/72/24/1068227224.db2.gz GYUCOXATZNXVQU-DEOSSOPVSA-N 1 0 468.690 3.786 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001305941842 1068251306 /nfs/dbraw/zinc/25/13/06/1068251306.db2.gz CSJOFHLUVLVQDR-FCHUYYIVSA-N 1 0 466.674 3.933 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001305943355 1068255056 /nfs/dbraw/zinc/25/50/56/1068255056.db2.gz AMZONCULBKEMKT-NRFANRHFSA-N 1 0 466.674 3.933 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2C[C@@](C)(O)CCOC)cc1 ZINC001305945311 1068258828 /nfs/dbraw/zinc/25/88/28/1068258828.db2.gz JSVZQNOPCACVQD-SANMLTNESA-N 1 0 455.647 3.750 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001305947001 1068263276 /nfs/dbraw/zinc/26/32/76/1068263276.db2.gz HJIWLEIGDYCMHG-QPPBQGQZSA-N 1 0 466.674 3.933 20 0 JHADRO CCc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001305948430 1068269514 /nfs/dbraw/zinc/26/95/14/1068269514.db2.gz CTBAQEGCKWBUIN-URXFXBBRSA-N 1 0 455.647 3.870 20 0 JHADRO CCc1ccc(-c2nnc(N3CCO[C@](C)(c4cnn(C)c4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001305948789 1068270550 /nfs/dbraw/zinc/27/05/50/1068270550.db2.gz HCFIQLXVUOGJII-IGKIAQTJSA-N 1 0 479.673 3.969 20 0 JHADRO CCc1ccc(-c2nnc(N3CCNC(=O)[C@H]3CC)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001305948941 1068270948 /nfs/dbraw/zinc/27/09/48/1068270948.db2.gz DYTYWWQUBMLFAZ-PKTZIBPZSA-N 1 0 452.647 3.733 20 0 JHADRO CCc1ccc([C@H]2CN(c3nnc(C(C)(C)C)n3CC3([NH+](C)C)CCOCC3)CCO2)cc1 ZINC001305955432 1068281799 /nfs/dbraw/zinc/28/17/99/1068281799.db2.gz RCQWKNYGNDWWNI-JOCHJYFZSA-N 1 0 455.647 3.827 20 0 JHADRO CCc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC001305957320 1068286038 /nfs/dbraw/zinc/28/60/38/1068286038.db2.gz HMWRCEJECWPHGV-PMACEKPBSA-N 1 0 461.614 3.649 20 0 JHADRO CCc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)s1 ZINC001305967539 1068301771 /nfs/dbraw/zinc/30/17/71/1068301771.db2.gz MBTGATJJIQLVMU-IRXDYDNUSA-N 1 0 472.684 3.861 20 0 JHADRO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2cccnc2)n1CCC[NH+]1CCCCC1 ZINC001305972379 1068307306 /nfs/dbraw/zinc/30/73/06/1068307306.db2.gz BMJBNHDGMRSGID-UHFFFAOYSA-N 1 0 461.614 3.853 20 0 JHADRO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001305973586 1068309874 /nfs/dbraw/zinc/30/98/74/1068309874.db2.gz HPRVTYNLMHQTFP-UNMCSNQZSA-N 1 0 468.646 3.541 20 0 JHADRO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2cccc(C)n2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305975989 1068314318 /nfs/dbraw/zinc/31/43/18/1068314318.db2.gz ZMLRJPLEDSJWBS-AREMUKBSSA-N 1 0 493.681 3.723 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001305978125 1068318817 /nfs/dbraw/zinc/31/88/17/1068318817.db2.gz JRATYNARTRRWCN-NOMHHCBYSA-N 1 0 482.673 3.597 20 0 JHADRO CCc1ccccc1OCc1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305978585 1068320245 /nfs/dbraw/zinc/32/02/45/1068320245.db2.gz RAYRXWBLTYICTE-LADGPHEKSA-N 1 0 496.700 3.845 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001305979335 1068321824 /nfs/dbraw/zinc/32/18/24/1068321824.db2.gz MXVIBNKDDPXUMZ-NRFANRHFSA-N 1 0 482.673 3.599 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305979889 1068322792 /nfs/dbraw/zinc/32/27/92/1068322792.db2.gz RFADQVFORNBROB-ZFGGDYGUSA-N 1 0 485.673 3.780 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCC(CO)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001305983180 1068329953 /nfs/dbraw/zinc/32/99/53/1068329953.db2.gz NEXYUVGZRFNGSP-QHCPKHFHSA-N 1 0 455.647 3.893 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCC(CC(=O)NC)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305984293 1068332158 /nfs/dbraw/zinc/33/21/58/1068332158.db2.gz ZVZOTSZRYQTKGT-DEOSSOPVSA-N 1 0 496.700 3.892 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCNC(=O)C(C)(C)C ZINC001305984949 1068333948 /nfs/dbraw/zinc/33/39/48/1068333948.db2.gz UNWBRCYLMGATDW-PMACEKPBSA-N 1 0 470.662 3.501 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001305985469 1068335122 /nfs/dbraw/zinc/33/51/22/1068335122.db2.gz KALLPYJHDUECGP-GGAORHGYSA-N 1 0 455.647 3.870 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCN(C(C)=O)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001305985873 1068336638 /nfs/dbraw/zinc/33/66/38/1068336638.db2.gz BLKPERLETFJCGC-IDISGSTGSA-N 1 0 482.673 3.599 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCN(C(=O)OC)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001305988490 1068345333 /nfs/dbraw/zinc/34/53/33/1068345333.db2.gz RLTMOAJFRMZQBZ-ZBLYBZFDSA-N 1 0 498.672 3.818 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H](C)[NH+](C)C ZINC001305989090 1068346602 /nfs/dbraw/zinc/34/66/02/1068346602.db2.gz VGPQYIIXSVPMGG-WOJBJXKFSA-N 1 0 486.661 3.815 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001305989036 1068347034 /nfs/dbraw/zinc/34/70/34/1068347034.db2.gz AEWMHWKVIRFUMM-VSKRKVRLSA-N 1 0 471.646 3.534 20 0 JHADRO CCc1cnc(CN(C)c2nnc(CCc3ccccc3)n2CC2(O)CC[NH+](C(C)C)CC2)s1 ZINC001305994635 1068356753 /nfs/dbraw/zinc/35/67/53/1068356753.db2.gz GUTAVWNEUPIABL-UHFFFAOYSA-N 1 0 482.698 3.954 20 0 JHADRO CCc1cnc(Cn2c(N3CCC[N@@H+](C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001306000330 1068370874 /nfs/dbraw/zinc/37/08/74/1068370874.db2.gz YRIRWMYTCGXKQG-XMMPIXPASA-N 1 0 476.691 3.697 20 0 JHADRO CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@H]3CCCOC3)n2CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC001306002266 1068375461 /nfs/dbraw/zinc/37/54/61/1068375461.db2.gz KIPDTPMATNMHMR-UXHICEINSA-N 1 0 489.734 3.723 20 0 JHADRO CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC001306002383 1068375998 /nfs/dbraw/zinc/37/59/98/1068375998.db2.gz LCIYOVCBHNBMSI-SJLPKXTDSA-N 1 0 456.664 3.935 20 0 JHADRO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCCCC2)s1 ZINC001306002678 1068377113 /nfs/dbraw/zinc/37/71/13/1068377113.db2.gz MWMQESBGKYGTHE-WDSOQIARSA-N 1 0 473.691 3.876 20 0 JHADRO CCc1nc(C)c(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)o1 ZINC001306004428 1068380592 /nfs/dbraw/zinc/38/05/92/1068380592.db2.gz LOKHUNSQFAOFTB-OAHLLOKOSA-N 1 0 476.984 3.802 20 0 JHADRO CCc1nc(CCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[NH+](C(C)C)CC2)cs1 ZINC001306017874 1068403247 /nfs/dbraw/zinc/40/32/47/1068403247.db2.gz KGFNQZLIXUCUNI-UHFFFAOYSA-N 1 0 470.643 3.754 20 0 JHADRO CCc1nc(CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)cs1 ZINC001306033973 1068437756 /nfs/dbraw/zinc/43/77/56/1068437756.db2.gz SUEXUOLVVVXAJV-FXAWDEMLSA-N 1 0 458.607 3.879 20 0 JHADRO CCc1nn(C)c(OC)c1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001306049919 1068479440 /nfs/dbraw/zinc/47/94/40/1068479440.db2.gz JNKGRKINYBTLDR-UHFFFAOYSA-N 1 0 490.027 3.868 20 0 JHADRO CCc1nnc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)s1 ZINC001306060893 1068499483 /nfs/dbraw/zinc/49/94/83/1068499483.db2.gz JYVNRPTYMPWDQD-OAHLLOKOSA-N 1 0 462.023 3.503 20 0 JHADRO CCc1nnc(Cn2c(CSc3ccccc3OC)nnc2N2CC[N@@H+](CC)[C@H](C)C2)s1 ZINC001306060896 1068499521 /nfs/dbraw/zinc/49/95/21/1068499521.db2.gz JZDQFJOBMUGWAJ-MRXNPFEDSA-N 1 0 473.672 3.572 20 0 JHADRO CCc1nnc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)s1 ZINC001306061416 1068500549 /nfs/dbraw/zinc/50/05/49/1068500549.db2.gz LBZFBMHQGZMXMW-YLJYHZDGSA-N 1 0 461.680 3.579 20 0 JHADRO CCc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001306063443 1068502637 /nfs/dbraw/zinc/50/26/37/1068502637.db2.gz BCPSIMYHTRVVAZ-YLJYHZDGSA-N 1 0 481.458 3.776 20 0 JHADRO CCc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001306069458 1068505266 /nfs/dbraw/zinc/50/52/66/1068505266.db2.gz VPICAWUAURCVRP-QHCPKHFHSA-N 1 0 462.646 3.624 20 0 JHADRO CCc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001306070256 1068505673 /nfs/dbraw/zinc/50/56/73/1068505673.db2.gz DRJYENFORUIYFF-UHFFFAOYSA-N 1 0 452.647 3.732 20 0 JHADRO CCc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001306073526 1068507028 /nfs/dbraw/zinc/50/70/28/1068507028.db2.gz DEXAQZUWHMUSBN-RTWAWAEBSA-N 1 0 460.692 3.532 20 0 JHADRO CCc1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001306076516 1068508621 /nfs/dbraw/zinc/50/86/21/1068508621.db2.gz QRROGYRNZLNMLY-KNQAVFIVSA-N 1 0 452.628 3.720 20 0 JHADRO CCc1nnc(N(CCO)Cc2ccc(F)c(Br)c2)n1CC[N@H+](C)C1CCCC1 ZINC001306102605 1068519615 /nfs/dbraw/zinc/51/96/15/1068519615.db2.gz RZKSRHGUDJPBCS-UHFFFAOYSA-N 1 0 468.415 3.615 20 0 JHADRO CCc1nnc(N2CCC(=Cc3cccc(OC)c3)CC2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001306114367 1068522979 /nfs/dbraw/zinc/52/29/79/1068522979.db2.gz GMNAWBQVFHPYHR-UHFFFAOYSA-N 1 0 466.674 3.951 20 0 JHADRO CCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001306113034 1068523011 /nfs/dbraw/zinc/52/30/11/1068523011.db2.gz UCUACQNCBTXTCC-SXLOBPIMSA-N 1 0 451.537 3.561 20 0 JHADRO CCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001306113036 1068523145 /nfs/dbraw/zinc/52/31/45/1068523145.db2.gz UCUACQNCBTXTCC-YSIASYRMSA-N 1 0 451.537 3.561 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001306118954 1068526581 /nfs/dbraw/zinc/52/65/81/1068526581.db2.gz XMKVQBLFICPOMU-UHFFFAOYSA-N 1 0 466.674 3.836 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001306121323 1068529999 /nfs/dbraw/zinc/52/99/99/1068529999.db2.gz XCWCEMNEQPJPFR-XMMPIXPASA-N 1 0 466.674 3.946 20 0 JHADRO CCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001306134987 1068537392 /nfs/dbraw/zinc/53/73/92/1068537392.db2.gz RGFSBDBEIJMUJY-ISKFKSNPSA-N 1 0 460.711 3.678 20 0 JHADRO CCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001306134988 1068537561 /nfs/dbraw/zinc/53/75/61/1068537561.db2.gz RGFSBDBEIJMUJY-LADGPHEKSA-N 1 0 460.711 3.678 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001306156539 1068554564 /nfs/dbraw/zinc/55/45/64/1068554564.db2.gz HSJIPUGWDJFRNJ-OAQYLSRUSA-N 1 0 455.651 3.908 20 0 JHADRO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001306157266 1068555449 /nfs/dbraw/zinc/55/54/49/1068555449.db2.gz NVEIMIYYVCYDJM-RTWAWAEBSA-N 1 0 453.635 3.664 20 0 JHADRO CCc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001306171275 1068565838 /nfs/dbraw/zinc/56/58/38/1068565838.db2.gz RMLSSQTWQZQQPK-WOJBJXKFSA-N 1 0 460.598 3.776 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001306179359 1068569724 /nfs/dbraw/zinc/56/97/24/1068569724.db2.gz KYCZLLYWUZRPIA-HSZRJFAPSA-N 1 0 452.647 3.622 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001306185886 1068577119 /nfs/dbraw/zinc/57/71/19/1068577119.db2.gz UIWKGZVMYIDCAW-IBGZPJMESA-N 1 0 459.038 3.577 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001306188641 1068580895 /nfs/dbraw/zinc/58/08/95/1068580895.db2.gz KHQXQNCNCRDSSN-LJQANCHMSA-N 1 0 478.707 3.648 20 0 JHADRO CCc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001306193831 1068584861 /nfs/dbraw/zinc/58/48/61/1068584861.db2.gz DBYWXBMAGNKDFO-OAQYLSRUSA-N 1 0 486.709 3.988 20 0 JHADRO CCc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306195420 1068587181 /nfs/dbraw/zinc/58/71/81/1068587181.db2.gz PNGVYYCCBGYPTQ-ZCNNSNEGSA-N 1 0 490.643 3.890 20 0 JHADRO CCc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001306198229 1068590586 /nfs/dbraw/zinc/59/05/86/1068590586.db2.gz YDGTVEKRKFVLPL-UHFFFAOYSA-N 1 0 462.646 3.603 20 0 JHADRO CCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001306206142 1068597269 /nfs/dbraw/zinc/59/72/69/1068597269.db2.gz XSUXBFXTFHHAFM-LJQANCHMSA-N 1 0 456.635 3.855 20 0 JHADRO CCc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1Cc1ccc(OC)c(OC(F)F)c1 ZINC001306206576 1068597905 /nfs/dbraw/zinc/59/79/05/1068597905.db2.gz BEYOHPUEJYTNGC-UHFFFAOYSA-N 1 0 477.581 3.925 20 0 JHADRO CCc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001306207458 1068598331 /nfs/dbraw/zinc/59/83/31/1068598331.db2.gz UKTRKLQPLSEMLK-DLBZAZTESA-N 1 0 456.582 3.812 20 0 JHADRO CCc1nnc(N2CCN(Cc3cscn3)CC2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001306208534 1068599704 /nfs/dbraw/zinc/59/97/04/1068599704.db2.gz XFQVCLKPUAGLJB-HXUWFJFHSA-N 1 0 459.689 3.764 20 0 JHADRO CCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001306208494 1068599882 /nfs/dbraw/zinc/59/98/82/1068599882.db2.gz YYEUCCBHWDXXKK-UHFFFAOYSA-N 1 0 454.541 3.783 20 0 JHADRO CCc1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001306208667 1068599898 /nfs/dbraw/zinc/59/98/98/1068599898.db2.gz DXBJDLPSDCOCKT-NRFANRHFSA-N 1 0 450.587 3.623 20 0 JHADRO CCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001306209199 1068600743 /nfs/dbraw/zinc/60/07/43/1068600743.db2.gz KWTXZQUMXHDCRF-PMACEKPBSA-N 1 0 494.606 3.825 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3ccccc3C)C2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001306218129 1068605456 /nfs/dbraw/zinc/60/54/56/1068605456.db2.gz BHYBIPVMQHFYCH-ZEQRLZLVSA-N 1 0 455.647 3.864 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001306219173 1068606766 /nfs/dbraw/zinc/60/67/66/1068606766.db2.gz CIPSKYIYWXMZPH-MJGOQNOKSA-N 1 0 457.579 3.601 20 0 JHADRO CCc1nsc(N2CCCN(c3nnc(C(C)C)n3C[C@H](C)[NH+]3CCC(C)CC3)CC2)n1 ZINC001306239394 1068635338 /nfs/dbraw/zinc/63/53/38/1068635338.db2.gz JLACIIFQOFTWLC-IBGZPJMESA-N 1 0 460.696 3.653 20 0 JHADRO CCc1nsc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)C3CCCCC3)CC2)n1 ZINC001306240577 1068640745 /nfs/dbraw/zinc/64/07/45/1068640745.db2.gz HLNXCHHSFDVYLJ-UHFFFAOYSA-N 1 0 460.696 3.581 20 0 JHADRO CCc1nsc(N2CCN(c3nnc([C@H](C)CC)n3CC[N@@H+]3CCCC[C@@H]3CC)CC2)n1 ZINC001306241073 1068643098 /nfs/dbraw/zinc/64/30/98/1068643098.db2.gz ZFYSXHOBDSTMNP-MOPGFXCFSA-N 1 0 460.696 3.797 20 0 JHADRO CCc1nsc(N2CCN(c3nnc([C@@H](C)CC)n3CC[N@@H+]3CCCC[C@@H]3CC)CC2)n1 ZINC001306241074 1068643149 /nfs/dbraw/zinc/64/31/49/1068643149.db2.gz ZFYSXHOBDSTMNP-OALUTQOASA-N 1 0 460.696 3.797 20 0 JHADRO CCc1nsc(N2CCN(c3nnc(Cc4ccsc4)n3CC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001306244295 1068648091 /nfs/dbraw/zinc/64/80/91/1068648091.db2.gz SUJJBNBSWQCAFT-UHFFFAOYSA-N 1 0 488.731 3.790 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)[NH+](CC)CC ZINC001306244712 1068649248 /nfs/dbraw/zinc/64/92/48/1068649248.db2.gz CVFFHKQHXKBDND-KDOFPFPSSA-N 1 0 453.418 3.697 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001306245896 1068652747 /nfs/dbraw/zinc/65/27/47/1068652747.db2.gz SCKLYYMOIOETKY-DUXKGJEZSA-N 1 0 489.064 3.907 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)C[NH+](C)C ZINC001306246649 1068654694 /nfs/dbraw/zinc/65/46/94/1068654694.db2.gz UZBGNLHHOFTQRS-UYAOXDASSA-N 1 0 491.080 3.991 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001306248524 1068658339 /nfs/dbraw/zinc/65/83/39/1068658339.db2.gz UVIMNFNXFLBKKP-IBGZPJMESA-N 1 0 489.462 3.687 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(C)nc3ccccc32)n1CC[NH+](C(C)C)C(C)C ZINC001306249857 1068660564 /nfs/dbraw/zinc/66/05/64/1068660564.db2.gz ZSSJTTDGIKWNEY-QHCPKHFHSA-N 1 0 463.630 3.635 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(CC2CCCC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001306253859 1068661659 /nfs/dbraw/zinc/66/16/59/1068661659.db2.gz GYINUYXJDZLUFK-KNQAVFIVSA-N 1 0 452.647 3.855 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001306258324 1068665761 /nfs/dbraw/zinc/66/57/61/1068665761.db2.gz AGJFBKWNDNPCMN-WOJBJXKFSA-N 1 0 486.686 3.558 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001306258322 1068665827 /nfs/dbraw/zinc/66/58/27/1068665827.db2.gz AGJFBKWNDNPCMN-VQTJNVASSA-N 1 0 486.686 3.558 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001306277155 1068691158 /nfs/dbraw/zinc/69/11/58/1068691158.db2.gz JWLJTCLYIVCNSJ-CQOQZXRMSA-N 1 0 455.647 3.946 20 0 JHADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001306281853 1068698433 /nfs/dbraw/zinc/69/84/33/1068698433.db2.gz GTJXBVPOZBGARS-SXWKCWPCSA-N 1 0 488.702 3.547 20 0 JHADRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccccc2F)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001306287840 1068705924 /nfs/dbraw/zinc/70/59/24/1068705924.db2.gz HQBOOSWUXRCQEV-JQVVWYNYSA-N 1 0 456.610 3.652 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc2ccccc2s1 ZINC001306312713 1068731373 /nfs/dbraw/zinc/73/13/73/1068731373.db2.gz HJNADKYELQOHQG-SFHVURJKSA-N 1 0 469.659 3.927 20 0 JHADRO CC[C@@H]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001306312972 1068731490 /nfs/dbraw/zinc/73/14/90/1068731490.db2.gz YMWHSASEBIMQSS-UXHICEINSA-N 1 0 458.676 3.669 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)OCCOC)nnc1N1CCOC2(CCCCC2)C1 ZINC001306315590 1068734684 /nfs/dbraw/zinc/73/46/84/1068734684.db2.gz BBNCFTPMEWABSJ-FGZHOGPDSA-N 1 0 463.667 3.806 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSCC1 ZINC001306316730 1068736774 /nfs/dbraw/zinc/73/67/74/1068736774.db2.gz GHEVMZTYRMZYHI-HXUWFJFHSA-N 1 0 477.078 3.679 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSCC1 ZINC001306316729 1068736799 /nfs/dbraw/zinc/73/67/99/1068736799.db2.gz GHEVMZTYRMZYHI-FQEVSTJZSA-N 1 0 477.078 3.679 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001306317297 1068737828 /nfs/dbraw/zinc/73/78/28/1068737828.db2.gz JJZHLENDWQTSEZ-FQEVSTJZSA-N 1 0 490.599 3.903 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](SC)C1 ZINC001306317537 1068738161 /nfs/dbraw/zinc/73/81/61/1068738161.db2.gz KBSOLMRDEDEGJQ-PMACEKPBSA-N 1 0 471.675 3.912 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001306317937 1068739656 /nfs/dbraw/zinc/73/96/56/1068739656.db2.gz LVRJYJQQTMIADY-XMMPIXPASA-N 1 0 495.672 3.517 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001306318344 1068741200 /nfs/dbraw/zinc/74/12/00/1068741200.db2.gz FVLFWGXAAYDWNZ-YADHBBJMSA-N 1 0 459.660 3.613 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC001306318523 1068742163 /nfs/dbraw/zinc/74/21/63/1068742163.db2.gz OLXUYDAFLWONPE-HSZRJFAPSA-N 1 0 481.689 3.624 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCO[C@H](C)C1 ZINC001306319263 1068744575 /nfs/dbraw/zinc/74/45/75/1068744575.db2.gz RYYUOHCQHKWTBL-CTNGQTDRSA-N 1 0 487.645 3.851 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(OC)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306319746 1068746776 /nfs/dbraw/zinc/74/67/76/1068746776.db2.gz VVLCTWMQGKSGRY-JTHBVZDNSA-N 1 0 468.646 3.523 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(C)C ZINC001306320035 1068747363 /nfs/dbraw/zinc/74/73/63/1068747363.db2.gz ZLGBNOUJGTXEMA-NRFANRHFSA-N 1 0 476.691 3.552 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001306320376 1068749405 /nfs/dbraw/zinc/74/94/05/1068749405.db2.gz VBNZSIAQSQRQJT-HXUWFJFHSA-N 1 0 474.053 3.563 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Br)s2)nnc1N(C)CCCC(=O)NC ZINC001306320792 1068749487 /nfs/dbraw/zinc/74/94/87/1068749487.db2.gz XCSBWNCYZVJWDN-MRXNPFEDSA-N 1 0 497.507 3.996 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001306320965 1068750214 /nfs/dbraw/zinc/75/02/14/1068750214.db2.gz CRBIBCRULDWURD-FCHUYYIVSA-N 1 0 476.666 3.699 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306320946 1068750426 /nfs/dbraw/zinc/75/04/26/1068750426.db2.gz CMPRXPBSUXIATR-LJQANCHMSA-N 1 0 465.568 3.597 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001306322571 1068753716 /nfs/dbraw/zinc/75/37/16/1068753716.db2.gz GSGRXNGMZOTQFV-DHLKQENFSA-N 1 0 495.716 3.906 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1scnc1C ZINC001306322701 1068754404 /nfs/dbraw/zinc/75/44/04/1068754404.db2.gz ITNDHEBMPLARGN-ZJOUEHCJSA-N 1 0 462.664 3.668 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCC=C(Br)C1 ZINC001306323542 1068757379 /nfs/dbraw/zinc/75/73/79/1068757379.db2.gz PJNLCGDPAUJJFK-IEBWSBKVSA-N 1 0 452.441 3.926 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1C(C)(C)C ZINC001306323485 1068757397 /nfs/dbraw/zinc/75/73/97/1068757397.db2.gz LXGHRURCBGCICV-LJQANCHMSA-N 1 0 466.630 3.573 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)CC1 ZINC001306324025 1068758553 /nfs/dbraw/zinc/75/85/53/1068758553.db2.gz NZPORPZOGCFKEM-SFHVURJKSA-N 1 0 495.455 3.755 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001306324082 1068759208 /nfs/dbraw/zinc/75/92/08/1068759208.db2.gz NHXOBJHRBWBXEB-HSZRJFAPSA-N 1 0 466.674 3.765 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(OC)cc(OC)c1 ZINC001306325123 1068761066 /nfs/dbraw/zinc/76/10/66/1068761066.db2.gz WJYMYQJPXFHYEI-RTWAWAEBSA-N 1 0 457.619 3.700 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001306325572 1068761640 /nfs/dbraw/zinc/76/16/40/1068761640.db2.gz UJPRKDMAVKEYGH-LJQANCHMSA-N 1 0 472.600 3.636 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306325232 1068761895 /nfs/dbraw/zinc/76/18/95/1068761895.db2.gz SZDDGASCYSOBDY-PKTZIBPZSA-N 1 0 497.688 3.974 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC[C@H]1C ZINC001306325471 1068762402 /nfs/dbraw/zinc/76/24/02/1068762402.db2.gz YCUFGAGSEQSZDB-IRLDBZIGSA-N 1 0 490.693 3.882 20 0 JHADRO CC[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CCOCC[NH+](C)C)C1 ZINC001306328526 1068767415 /nfs/dbraw/zinc/76/74/15/1068767415.db2.gz KDQAOCNDOCFBEZ-KRWDZBQOSA-N 1 0 450.425 3.912 20 0 JHADRO CC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CC[NH+](CC)CC2)C1 ZINC001306340906 1068777369 /nfs/dbraw/zinc/77/73/69/1068777369.db2.gz MYIXYXPPFWFBGQ-DNVJHFABSA-N 1 0 460.711 3.851 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306343929 1068780563 /nfs/dbraw/zinc/78/05/63/1068780563.db2.gz HSFUSLDVBOKCOH-HXUWFJFHSA-N 1 0 457.619 3.576 20 0 JHADRO CC[C@H]1CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCCC1 ZINC001306349401 1068786259 /nfs/dbraw/zinc/78/62/59/1068786259.db2.gz CZXBLMSGICCLJK-LEWJYISDSA-N 1 0 476.666 3.841 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(COc2cc(C)ccc2C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001306355234 1068789951 /nfs/dbraw/zinc/78/99/51/1068789951.db2.gz DUVICVXDUBONJS-PKTZIBPZSA-N 1 0 482.673 3.795 20 0 JHADRO CC[C@H]1CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001306357519 1068792271 /nfs/dbraw/zinc/79/22/71/1068792271.db2.gz RHKWEZIYMBOPAO-GOTSBHOMSA-N 1 0 454.663 3.818 20 0 JHADRO CC[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001306363062 1068799002 /nfs/dbraw/zinc/79/90/02/1068799002.db2.gz QFHVCDDPWHOKOO-MOPGFXCFSA-N 1 0 475.479 3.970 20 0 JHADRO CCC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@H+](C)CCOC)CC1 ZINC001306375081 1068808118 /nfs/dbraw/zinc/80/81/18/1068808118.db2.gz OBFOIHXCRNUORK-UHFFFAOYSA-N 1 0 492.709 3.987 20 0 JHADRO CC[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001306380658 1068811627 /nfs/dbraw/zinc/81/16/27/1068811627.db2.gz ARLNNJRIOBIZMA-NJDAHSKKSA-N 1 0 471.646 3.990 20 0 JHADRO CCC1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001306381983 1068813510 /nfs/dbraw/zinc/81/35/10/1068813510.db2.gz SEHGDZCXNNHULS-OAQYLSRUSA-N 1 0 472.653 3.896 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(OC3CCCC3)nc2)CC[N@@H+]1CCOC ZINC001306387376 1068822112 /nfs/dbraw/zinc/82/21/12/1068822112.db2.gz DWXLJDCBWHQUGK-OAQYLSRUSA-N 1 0 470.662 3.887 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001306390748 1068829924 /nfs/dbraw/zinc/82/99/24/1068829924.db2.gz UPFCTWHAKLHXCX-WOIUINJBSA-N 1 0 489.064 3.597 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cc(Br)ccc2OC)CC[N@@H+]1CCOC ZINC001306390733 1068829987 /nfs/dbraw/zinc/82/99/87/1068829987.db2.gz UKSSSCZBKHYLJG-LJQANCHMSA-N 1 0 494.478 3.942 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC001306395140 1068838832 /nfs/dbraw/zinc/83/88/32/1068838832.db2.gz OYYLMZQQTACQIU-XWSHUIEDSA-N 1 0 475.609 3.672 20 0 JHADRO CC[C@@H]1CN(c2nnc(C3(c4ccccc4)CCC3)n2CC(F)(F)F)CC[N@@H+]1CCOC ZINC001306395680 1068841694 /nfs/dbraw/zinc/84/16/94/1068841694.db2.gz FPZDIVCIAKNOEG-LJQANCHMSA-N 1 0 451.537 3.857 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)COC)CC[N@@H+]1CCOC ZINC001306396481 1068844301 /nfs/dbraw/zinc/84/43/01/1068844301.db2.gz IKYFIUCUXQDJPR-FXAWDEMLSA-N 1 0 480.451 3.537 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001306397511 1068848034 /nfs/dbraw/zinc/84/80/34/1068848034.db2.gz MWKLBXSLEBPDRU-SJLPKXTDSA-N 1 0 465.440 3.771 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001306397619 1068848523 /nfs/dbraw/zinc/84/85/23/1068848523.db2.gz NUDCICVYJZCCTB-SFHVURJKSA-N 1 0 465.440 3.773 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC001306399182 1068853557 /nfs/dbraw/zinc/85/35/57/1068853557.db2.gz BDXWWRAECIEIKL-IRFCIJBXSA-N 1 0 487.645 3.707 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2Cc2nc(C)c(C)s2)CC[N@@H+]1CCOC ZINC001306399907 1068856950 /nfs/dbraw/zinc/85/69/50/1068856950.db2.gz GPCOGZHZNMPVJC-HXUWFJFHSA-N 1 0 470.643 3.622 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCOCC[NH+](C)C)CCS1 ZINC001306400203 1068857673 /nfs/dbraw/zinc/85/76/73/1068857673.db2.gz ZWXQJSUBXFDNJW-GOSISDBHSA-N 1 0 468.465 3.618 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001306402608 1068864890 /nfs/dbraw/zinc/86/48/90/1068864890.db2.gz OFBWICBOTYBSSV-FPOVZHCZSA-N 1 0 479.572 3.519 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)[NH+](C)C)C[C@@H](C)O1 ZINC001306402648 1068865125 /nfs/dbraw/zinc/86/51/25/1068865125.db2.gz OQURFRLPPLJJMN-SQWLQELKSA-N 1 0 454.388 3.801 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCC[NH+]2CCOCC2)CCS1 ZINC001306404579 1068869468 /nfs/dbraw/zinc/86/94/68/1068869468.db2.gz VVCXIAZTBKULSM-FQEVSTJZSA-N 1 0 481.613 3.991 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H](C)O1 ZINC001306404635 1068870394 /nfs/dbraw/zinc/87/03/94/1068870394.db2.gz WXUXJWSULMNROD-QKNQBKEWSA-N 1 0 487.645 3.707 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCS1 ZINC001306405057 1068871102 /nfs/dbraw/zinc/87/11/02/1068871102.db2.gz YBGLIIBISORFNF-VQTJNVASSA-N 1 0 450.052 3.777 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCc2c(F)cccc2F)CC[N@@H+]1CCOC ZINC001306406076 1068874945 /nfs/dbraw/zinc/87/49/45/1068874945.db2.gz VAOZHJGEQKDXBZ-GOSISDBHSA-N 1 0 459.541 3.914 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2ccsc2)CC[N@@H+]1CCOC ZINC001306410691 1068890790 /nfs/dbraw/zinc/89/07/90/1068890790.db2.gz RSVXAXUTHSOJAA-CVDCTZTESA-N 1 0 491.061 3.510 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CCC[C@@H]2C)CCO1 ZINC001306410291 1068891159 /nfs/dbraw/zinc/89/11/59/1068891159.db2.gz RNHMGYWFDRJPND-RDJZCZTQSA-N 1 0 466.399 3.946 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[N@H+](C)CCOC)CCS1 ZINC001306412635 1068897634 /nfs/dbraw/zinc/89/76/34/1068897634.db2.gz HLPIGEUUTHPPNK-QGZVFWFLSA-N 1 0 498.491 3.626 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccn3C)n2CCOc2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC001306415544 1068904157 /nfs/dbraw/zinc/90/41/57/1068904157.db2.gz QSLFBOHLGUXURE-FQEVSTJZSA-N 1 0 473.021 3.563 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001306416485 1068906019 /nfs/dbraw/zinc/90/60/19/1068906019.db2.gz SHPDPUFPNGDGJX-WOJBJXKFSA-N 1 0 457.619 3.842 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001306416484 1068906031 /nfs/dbraw/zinc/90/60/31/1068906031.db2.gz SHPDPUFPNGDGJX-VQTJNVASSA-N 1 0 457.619 3.842 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C[N@H+](C)C(C)C)C[C@H](C)O1 ZINC001306419257 1068911317 /nfs/dbraw/zinc/91/13/17/1068911317.db2.gz CDLGVNLKWUBAQA-CVDCTZTESA-N 1 0 451.619 3.571 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC001306425781 1068920201 /nfs/dbraw/zinc/92/02/01/1068920201.db2.gz KRYKSFGTTXCVRL-OTNCWRBYSA-N 1 0 492.064 3.628 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC001306425788 1068920254 /nfs/dbraw/zinc/92/02/54/1068920254.db2.gz KRYKSFGTTXCVRL-TZBSWOFLSA-N 1 0 492.064 3.628 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306426266 1068920969 /nfs/dbraw/zinc/92/09/69/1068920969.db2.gz WPHYBRIPQJHYHX-SFTDATJTSA-N 1 0 498.676 3.741 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@H+](C)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306426051 1068921019 /nfs/dbraw/zinc/92/10/19/1068921019.db2.gz BDLPYNDXJLSRQX-GPQLQYNLSA-N 1 0 490.693 3.784 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306426254 1068921049 /nfs/dbraw/zinc/92/10/49/1068921049.db2.gz WPHYBRIPQJHYHX-LEWJYISDSA-N 1 0 498.676 3.741 20 0 JHADRO CC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2cc(C)cc(C)c2)CC[N@@H+]1CCOC ZINC001306427995 1068924529 /nfs/dbraw/zinc/92/45/29/1068924529.db2.gz IFULITPYWAWQGM-ZEQRLZLVSA-N 1 0 455.647 3.579 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCc2cc(C)ccc2OC)CC[N@@H+]1CCOC ZINC001306428617 1068925510 /nfs/dbraw/zinc/92/55/10/1068925510.db2.gz LJTVFQBMAHKWHW-VWNXMTODSA-N 1 0 471.646 3.626 20 0 JHADRO CC[C@H]1CN(c2nnc(C3CCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC[N@@H+]1CCOC ZINC001306430615 1068929647 /nfs/dbraw/zinc/92/96/47/1068929647.db2.gz XBWBOXBGFSHEAR-FPOVZHCZSA-N 1 0 478.682 3.596 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(F)(F)F)n2)CC[N@@H+]1CCOC ZINC001306431546 1068931878 /nfs/dbraw/zinc/93/18/78/1068931878.db2.gz ZMMWJFYDRREZHI-MOPGFXCFSA-N 1 0 482.551 3.529 20 0 JHADRO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2(c3ccccn3)CCC2)CC[N@@H+]1CCOC ZINC001306432969 1068934815 /nfs/dbraw/zinc/93/48/15/1068934815.db2.gz ICNTZLQDPOQXMG-OAQYLSRUSA-N 1 0 454.663 3.931 20 0 JHADRO CC[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(C)C)CC[N@@H+]1CCOC ZINC001306433533 1068935458 /nfs/dbraw/zinc/93/54/58/1068935458.db2.gz QPUQNVALLJNSGW-QFIPXVFZSA-N 1 0 492.709 3.986 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCSc2ccccc2)CC[N@@H+]1CCOC ZINC001306434147 1068937280 /nfs/dbraw/zinc/93/72/80/1068937280.db2.gz UPEXBTILFVIUKT-NHCUHLMSSA-N 1 0 459.660 3.511 20 0 JHADRO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC(C)(C)C[NH+]2CCCC2)C[C@@H]1N1CCOCC1 ZINC001306434922 1068938735 /nfs/dbraw/zinc/93/87/35/1068938735.db2.gz SOHYFCUYCMLSAA-VXKWHMMOSA-N 1 0 460.711 3.536 20 0 JHADRO CC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(C)CCCS2)CC[N@@H+]1CCOC ZINC001306441074 1068949052 /nfs/dbraw/zinc/94/90/52/1068949052.db2.gz OLSGYIMTHIXYGF-SQJMNOBHSA-N 1 0 473.687 3.710 20 0 JHADRO CC[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H](C)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001306442565 1068952031 /nfs/dbraw/zinc/95/20/31/1068952031.db2.gz PBLBGGPXTLFCQB-RDPSFJRHSA-N 1 0 466.605 3.754 20 0 JHADRO CC[C@H]1CN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(C)(C)O)c2)CC[N@@H+]1CCOC ZINC001306444831 1068956945 /nfs/dbraw/zinc/95/69/45/1068956945.db2.gz WBHIKAWFHKFTCP-QHCPKHFHSA-N 1 0 483.682 3.753 20 0 JHADRO CC[C@@H]1CN(c2nnc(CC3CC3)n2C[C@@H]2CC[N@H+](CC)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306445596 1068958443 /nfs/dbraw/zinc/95/84/43/1068958443.db2.gz ISNMJHVCCNFQQP-NJYVYQBISA-N 1 0 460.667 3.702 20 0 JHADRO CC[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H](C)O1 ZINC001306446441 1068960119 /nfs/dbraw/zinc/96/01/19/1068960119.db2.gz FKOQAMACCRBQSE-VXKWHMMOSA-N 1 0 485.673 3.793 20 0 JHADRO CC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCC[NH+]2CCC(C)CC2)C[C@H](C)O1 ZINC001306454370 1068975967 /nfs/dbraw/zinc/97/59/67/1068975967.db2.gz ZLCVMAXXWWNPER-SFTDATJTSA-N 1 0 488.702 3.785 20 0 JHADRO CC[C@@H]1CN(c2nnc(CC3CCCC3)n2Cc2ccc(OC)c(F)c2)CC[N@@H+]1CCOC ZINC001306454905 1068976559 /nfs/dbraw/zinc/97/65/59/1068976559.db2.gz XKESRBVDUNSOKD-OAQYLSRUSA-N 1 0 459.610 3.754 20 0 JHADRO CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc2C1 ZINC001310498407 1068983403 /nfs/dbraw/zinc/98/34/03/1068983403.db2.gz VCYUHJJXPAJDGV-HXUWFJFHSA-N 1 0 455.559 3.926 20 0 JHADRO CC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC001306456984 1068984251 /nfs/dbraw/zinc/98/42/51/1068984251.db2.gz KEIUSLSPLNGQSL-QPTUXGOLSA-N 1 0 485.673 3.801 20 0 JHADRO CC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[C@@H]2C)CC[N@@H+]1CCOC ZINC001306457044 1068984342 /nfs/dbraw/zinc/98/43/42/1068984342.db2.gz CYJPSHVBOOMAGP-JAXLGGSGSA-N 1 0 459.610 3.979 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)CCO1 ZINC001306457231 1068984876 /nfs/dbraw/zinc/98/48/76/1068984876.db2.gz MHBRPLYUIOMFAS-VAMGGRTRSA-N 1 0 465.708 3.639 20 0 JHADRO COc1ccc([C@@H](CNC(=O)Nc2ccccc2CN2CCNC2=O)[NH+]2CCCCC2)cc1 ZINC001310503289 1068986953 /nfs/dbraw/zinc/98/69/53/1068986953.db2.gz FEYIZEKFMZVZGV-HSZRJFAPSA-N 1 0 451.571 3.569 20 0 JHADRO 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CCC[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001306572970 1069240111 /nfs/dbraw/zinc/24/01/11/1069240111.db2.gz GSRXNLVHGPDFFA-FQEVSTJZSA-N 1 0 470.662 3.615 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1(O)CCCC1 ZINC001306580879 1069245378 /nfs/dbraw/zinc/24/53/78/1069245378.db2.gz NLELUBBJUJUUPC-QFIPXVFZSA-N 1 0 454.663 3.573 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001306580714 1069245634 /nfs/dbraw/zinc/24/56/34/1069245634.db2.gz IRXLSGRNYXRAFB-NHCUHLMSSA-N 1 0 453.635 3.642 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001306584314 1069249904 /nfs/dbraw/zinc/24/99/04/1069249904.db2.gz GQOGAAUKMUOGIT-BDTNDASRSA-N 1 0 474.694 3.568 20 0 JHADRO O=C(Nc1csc(-c2ccc(Br)cc2)n1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001311041591 1069255448 /nfs/dbraw/zinc/25/54/48/1069255448.db2.gz ZHTJVMREQCRFHJ-HZPDHXFCSA-N 1 0 451.390 3.636 20 0 JHADRO 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CCC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C)OC)CC[N@@H+]1CCOC ZINC001306616567 1069298093 /nfs/dbraw/zinc/29/80/93/1069298093.db2.gz IDKZXJMOKWEKMR-SJLPKXTDSA-N 1 0 498.441 3.819 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Nc2ccc(SC)c(C(=O)OC)c2)CC1 ZINC001311210844 1069298754 /nfs/dbraw/zinc/29/87/54/1069298754.db2.gz FFKDFMDMLHETTN-UHFFFAOYSA-N 1 0 456.612 3.654 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(SC)CC[NH+](C)CC2)CCO1 ZINC001306617872 1069300325 /nfs/dbraw/zinc/30/03/25/1069300325.db2.gz PTLBXTYNIAHHFM-KRWDZBQOSA-N 1 0 497.507 3.868 20 0 JHADRO Cc1c(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc(Br)cc1C(F)(F)F ZINC001311231366 1069303405 /nfs/dbraw/zinc/30/34/05/1069303405.db2.gz FPXQNZLCUTYORE-UHFFFAOYSA-N 1 0 451.331 3.924 20 0 JHADRO Cc1c(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc(Br)cc1C(F)(F)F ZINC001311232203 1069303859 /nfs/dbraw/zinc/30/38/59/1069303859.db2.gz SOWIUZAPIURGGW-CVEARBPZSA-N 1 0 450.299 3.839 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(Cl)cc2OC)CC[N@@H+]1CCOC ZINC001306620464 1069306764 /nfs/dbraw/zinc/30/67/64/1069306764.db2.gz GVMDQEFHEYUJQN-NRFANRHFSA-N 1 0 487.048 3.931 20 0 JHADRO FC(F)(F)[C@@H]1N(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CCC12CC[NH2+]CC2 ZINC001164388014 718814972 /nfs/dbraw/zinc/81/49/72/718814972.db2.gz MAAAKWYOLHRSTI-JOCHJYFZSA-N 1 0 495.615 3.913 20 0 JHADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CCN4CC[NH2+]C[C@H]4C3)n2)CC1 ZINC001164402261 718839842 /nfs/dbraw/zinc/83/98/42/718839842.db2.gz DSBBURNVPTZMNM-SFHVURJKSA-N 1 0 468.696 3.746 20 0 JHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCO[C@H]5C[NH2+]CC[C@H]5C4)c23)C1 ZINC001164404096 718864227 /nfs/dbraw/zinc/86/42/27/718864227.db2.gz ACLFTSOXQGMLJQ-HBFSDRIKSA-N 1 0 455.672 3.617 20 0 JHADRO COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164427514 718955131 /nfs/dbraw/zinc/95/51/31/718955131.db2.gz DCNGYQJXQXYVOG-DEOSSOPVSA-N 1 0 478.637 3.558 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc3ncc(Cl)nc3c1)C2 ZINC001164618201 719007808 /nfs/dbraw/zinc/00/78/08/719007808.db2.gz QWHTVHPIYQIPPO-AVRDEDQJSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164614809 719008144 /nfs/dbraw/zinc/00/81/44/719008144.db2.gz GPKVAOGOFGFTDL-PGRDOPGGSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164620671 719009942 /nfs/dbraw/zinc/00/99/42/719009942.db2.gz ZDQIIIDABYREAX-UZUQRXQVSA-N 1 0 491.970 3.886 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)CC2)CC1 ZINC001164618702 719028889 /nfs/dbraw/zinc/02/88/89/719028889.db2.gz ZYOJMHODRXZTPN-UHFFFAOYSA-N 1 0 451.995 3.934 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3C(=O)N3CCc4ccccc43)CC2)CC1 ZINC001164617141 719031222 /nfs/dbraw/zinc/03/12/22/719031222.db2.gz HPRMJRHLSZNLES-UHFFFAOYSA-N 1 0 462.594 3.528 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)CC2)CC1 ZINC001164618464 719033834 /nfs/dbraw/zinc/03/38/34/719033834.db2.gz UDFFBFLKCDVARI-UHFFFAOYSA-N 1 0 469.920 3.574 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccccn4)nc4sccc43)CC2)CC1 ZINC001164617102 719034070 /nfs/dbraw/zinc/03/40/70/719034070.db2.gz GPMYSVDCIGHYKG-UHFFFAOYSA-N 1 0 451.596 3.997 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)c(Cc4ccc(OC)cc4)c(C)n3)CC2)CC1 ZINC001164616402 719034527 /nfs/dbraw/zinc/03/45/27/719034527.db2.gz BJTUBHFDHNOQDQ-UHFFFAOYSA-N 1 0 466.626 3.937 20 0 JHADRO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cnc1Cl ZINC001164620316 719050428 /nfs/dbraw/zinc/05/04/28/719050428.db2.gz GBAAMVHORJLSHH-XLIONFOSSA-N 1 0 455.958 3.657 20 0 JHADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)cc1 ZINC001164627409 719092422 /nfs/dbraw/zinc/09/24/22/719092422.db2.gz KEXYPXNPIFQNED-NZQKXSOJSA-N 1 0 464.591 3.773 20 0 JHADRO c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)[C@@H]3C2)cc1 ZINC001164629443 719098515 /nfs/dbraw/zinc/09/85/15/719098515.db2.gz SCATZNVGPKMOOQ-AZGAKELHSA-N 1 0 454.622 3.904 20 0 JHADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164659835 719351871 /nfs/dbraw/zinc/35/18/71/719351871.db2.gz SFSKMDWZQKCVEQ-UHFFFAOYSA-N 1 0 471.653 3.528 20 0 JHADRO CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c1C ZINC001164673680 719440466 /nfs/dbraw/zinc/44/04/66/719440466.db2.gz TXDGMLXPVZTACC-QZTJIDSGSA-N 1 0 484.647 3.988 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3ccnc(Cl)n3)CC2)c2ccccc21 ZINC001164684129 719652977 /nfs/dbraw/zinc/65/29/77/719652977.db2.gz WHKGUAJYHVOSNA-KRWDZBQOSA-N 1 0 477.987 3.768 20 0 JHADRO CSc1nc(Cl)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683203 719656367 /nfs/dbraw/zinc/65/63/67/719656367.db2.gz UWHJWNYJMSNLED-QGZVFWFLSA-N 1 0 474.074 3.945 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cnc(Cl)nc3)CC2)c2ccccc21 ZINC001164684546 719660202 /nfs/dbraw/zinc/66/02/02/719660202.db2.gz XYAWBTHPYOZPFP-QGZVFWFLSA-N 1 0 477.987 3.768 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cnc(Cl)nc3)CC2)c2ccccc21 ZINC001164684542 719660474 /nfs/dbraw/zinc/66/04/74/719660474.db2.gz XYAWBTHPYOZPFP-KRWDZBQOSA-N 1 0 477.987 3.768 20 0 JHADRO Cc1nc(Cl)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C ZINC001164680094 719669202 /nfs/dbraw/zinc/66/92/02/719669202.db2.gz BXLHDRBXSRJBOU-LJQANCHMSA-N 1 0 456.034 3.840 20 0 JHADRO C[C@@H]1CCc2nnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)cc2C1 ZINC001164686620 719681760 /nfs/dbraw/zinc/68/17/60/719681760.db2.gz PDGJUGPKIHJTRF-IFMALSPDSA-N 1 0 461.654 3.695 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164683511 719723038 /nfs/dbraw/zinc/72/30/38/719723038.db2.gz AEFOJJNJOXMKJA-UHFFFAOYSA-N 1 0 458.340 3.662 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)CC2 ZINC001164689380 719755613 /nfs/dbraw/zinc/75/56/13/719755613.db2.gz DHPAHRAHLHESEF-UHFFFAOYSA-N 1 0 450.370 3.757 20 0 JHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)cc(O[C@@H]4CCOC4)n2)CC3)cs1 ZINC001164704466 719816604 /nfs/dbraw/zinc/81/66/04/719816604.db2.gz YBQJPDYGMZCCRH-QGZVFWFLSA-N 1 0 450.008 3.698 20 0 JHADRO O=C(NCc1ccccc1)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694915 719887355 /nfs/dbraw/zinc/88/73/55/719887355.db2.gz HDSHOVYUQJMYED-UHFFFAOYSA-N 1 0 462.619 3.945 20 0 JHADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4CCN(Cc4ccccc4)C5)CC3)C2)c1 ZINC001164696144 719891322 /nfs/dbraw/zinc/89/13/22/719891322.db2.gz ZLUJGUZAVLMURF-UHFFFAOYSA-N 1 0 475.662 3.968 20 0 JHADRO CCOC(=O)c1cc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2s1 ZINC001164698977 719895309 /nfs/dbraw/zinc/89/53/09/719895309.db2.gz VBXQMVPSJQAKOG-UHFFFAOYSA-N 1 0 458.609 3.801 20 0 JHADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC3)C2)c1 ZINC001164706273 719902728 /nfs/dbraw/zinc/90/27/28/719902728.db2.gz GQQGUWAELGTJRS-UHFFFAOYSA-N 1 0 491.661 3.913 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)C2 ZINC001164807914 720093774 /nfs/dbraw/zinc/09/37/74/720093774.db2.gz GLJANYJKUXJWJM-CJFMBICVSA-N 1 0 467.017 3.713 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164810994 720093936 /nfs/dbraw/zinc/09/39/36/720093936.db2.gz MRFJTFHXFPNWIR-LVXARBLLSA-N 1 0 468.045 3.831 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)NCc1ccccc1)CC2 ZINC001164712723 720099957 /nfs/dbraw/zinc/09/99/57/720099957.db2.gz YNBQIVPDEQTWKC-RUZDIDTESA-N 1 0 485.632 3.914 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)CC2 ZINC001164715529 720106657 /nfs/dbraw/zinc/10/66/57/720106657.db2.gz HGOBCGLINLWYCO-SFHVURJKSA-N 1 0 494.970 3.969 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164716973 720114194 /nfs/dbraw/zinc/11/41/94/720114194.db2.gz MPLHTESLRDAPNZ-QHCPKHFHSA-N 1 0 460.578 3.924 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(N3CCCCCC3)n1)CC2 ZINC001164710809 720150149 /nfs/dbraw/zinc/15/01/49/720150149.db2.gz CWHQDEHVMRFAKT-QHCPKHFHSA-N 1 0 450.631 3.760 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c(Cl)n1 ZINC001164820241 720156214 /nfs/dbraw/zinc/15/62/14/720156214.db2.gz ZUFQENFISKXXRD-KKSFZXQISA-N 1 0 457.949 3.641 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)C2 ZINC001164819468 720190654 /nfs/dbraw/zinc/19/06/54/720190654.db2.gz XFRCOWGPVLCWGA-UZLBHIALSA-N 1 0 453.921 3.515 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)CCC2 ZINC001164813976 720238841 /nfs/dbraw/zinc/23/88/41/720238841.db2.gz SOQMLHQRYKVCQC-UHFFFAOYSA-N 1 0 478.931 3.742 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(Cl)nc1Oc1ccccc1F)CCC2 ZINC001164817978 720245292 /nfs/dbraw/zinc/24/52/92/720245292.db2.gz VVLHCFYJRMJLQE-UHFFFAOYSA-N 1 0 472.952 3.869 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc3cc[nH]c3c(Cl)n2)CC1 ZINC001164829705 720332529 /nfs/dbraw/zinc/33/25/29/720332529.db2.gz NBTLMVQBFCUIOF-IRXDYDNUSA-N 1 0 451.949 3.673 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccccn3)nc3ccccc32)CC1 ZINC001164822212 720338630 /nfs/dbraw/zinc/33/86/30/720338630.db2.gz CFTGWYQVKFWDHW-ZEQRLZLVSA-N 1 0 456.594 3.603 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)Oc2ccc(Cl)nc2Cl)CC1 ZINC001164822796 720351418 /nfs/dbraw/zinc/35/14/18/720351418.db2.gz FIXUAAJEZIPMEH-GJZGRUSLSA-N 1 0 463.356 3.725 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)Oc2ccc(Cl)nc2Cl)CC1 ZINC001164822795 720351548 /nfs/dbraw/zinc/35/15/48/720351548.db2.gz FIXUAAJEZIPMEH-CABCVRRESA-N 1 0 463.356 3.725 20 0 JHADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001164821413 720353661 /nfs/dbraw/zinc/35/36/61/720353661.db2.gz AGNHVKSSOATCMM-SFTDATJTSA-N 1 0 486.016 3.842 20 0 JHADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001164821407 720353735 /nfs/dbraw/zinc/35/37/35/720353735.db2.gz AGNHVKSSOATCMM-NHCUHLMSSA-N 1 0 486.016 3.842 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)C2(c3ccnc(Cl)c3)CC2)CC1 ZINC001164822272 720354380 /nfs/dbraw/zinc/35/43/80/720354380.db2.gz CYRFBOGFKJJWLM-MOPGFXCFSA-N 1 0 452.977 3.767 20 0 JHADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735893 720415658 /nfs/dbraw/zinc/41/56/58/720415658.db2.gz ZBQPRDJNDXHTMN-RTWAWAEBSA-N 1 0 453.587 3.606 20 0 JHADRO O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]21)N1CCCCC1 ZINC001164832765 720504084 /nfs/dbraw/zinc/50/40/84/720504084.db2.gz BBPWHCNQNSJUTD-VCOUNFBDSA-N 1 0 495.014 3.901 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3C(=O)NCc3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834408 720515511 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FGDWCTFJVSGMAH-JCYRPKCISA-N 1 0 470.621 3.859 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3c4c(nnc3Cl)CCC4)CC[C@@H]21 ZINC001164843267 720608743 /nfs/dbraw/zinc/60/87/43/720608743.db2.gz XIIIKRKTTQGRAF-GJYPPUQNSA-N 1 0 450.965 3.738 20 0 JHADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)c(OC)c1 ZINC001164843263 720622690 /nfs/dbraw/zinc/62/26/90/720622690.db2.gz XGAVVEUWXVKWJR-JXALWOEJSA-N 1 0 462.598 3.735 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840982 720653162 /nfs/dbraw/zinc/65/31/62/720653162.db2.gz OMAWKUJHAONKGV-OWCLPIDISA-N 1 0 482.004 3.945 20 0 JHADRO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164739605 720659435 /nfs/dbraw/zinc/65/94/35/720659435.db2.gz OEXLFPFKAULCLE-ROUUACIJSA-N 1 0 460.488 3.707 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001164838121 720661840 /nfs/dbraw/zinc/66/18/40/720661840.db2.gz 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FC(F)(c1nccnc1Cl)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756873 720903600 /nfs/dbraw/zinc/90/36/00/720903600.db2.gz RUAIARRMTWCNEE-DENIHFKCSA-N 1 0 463.960 3.825 20 0 JHADRO COc1nc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164746467 720904975 /nfs/dbraw/zinc/90/49/75/720904975.db2.gz ANRIOFCAQWOLNO-AUSIDOKSSA-N 1 0 493.986 3.834 20 0 JHADRO FC(F)(COc1ccc(Cl)nn1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747446 720910308 /nfs/dbraw/zinc/91/03/08/720910308.db2.gz DFTXSBOPXRQKRG-NFBKMPQASA-N 1 0 493.986 3.747 20 0 JHADRO CC(C)COc1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748014 720913726 /nfs/dbraw/zinc/91/37/26/720913726.db2.gz FBCWIDBMTKACLB-ZEQKJWHPSA-N 1 0 451.615 3.662 20 0 JHADRO C[C@@H]1CCCN(c2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)C1 ZINC001164747956 720925055 /nfs/dbraw/zinc/92/50/55/720925055.db2.gz FABFDQSCWTXGME-MDQGVCTMSA-N 1 0 476.669 3.863 20 0 JHADRO c1nc2c(ncnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1-c1ccccc1 ZINC001164752039 720926831 /nfs/dbraw/zinc/92/68/31/720926831.db2.gz MSCHBYHYPJFOFK-GIGWZHCTSA-N 1 0 495.631 3.966 20 0 JHADRO CC(C)OC(=O)c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748593 720931180 /nfs/dbraw/zinc/93/11/80/720931180.db2.gz HETDFHUGEWGEEA-HOFKKMOUSA-N 1 0 464.610 3.797 20 0 JHADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(-c3ccccc3)nc3ccc(Cl)cc31)CC2 ZINC001164751438 720958475 /nfs/dbraw/zinc/95/84/75/720958475.db2.gz PJRWQZRFDPPKBF-UHFFFAOYSA-N 1 0 476.968 3.792 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](COCC4CC4)CN(C)C(=O)[C@H]3CC2)nc1 ZINC001164860334 721030198 /nfs/dbraw/zinc/03/01/98/721030198.db2.gz LHKSVKXLUVMWBY-ZKGSSEMHSA-N 1 0 454.659 3.976 20 0 JHADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(S(=O)(=O)NC5CC5)cn4)CC3)CC2)cc1 ZINC001164760621 721046240 /nfs/dbraw/zinc/04/62/40/721046240.db2.gz YLIWDFAVURIZCI-UHFFFAOYSA-N 1 0 454.640 3.713 20 0 JHADRO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)n1 ZINC001164766952 721051910 /nfs/dbraw/zinc/05/19/10/721051910.db2.gz GIFZHECPQVHDHX-FTJBHMTQSA-N 1 0 453.590 3.723 20 0 JHADRO Clc1ncc(OCc2ccccc2)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866731 721093489 /nfs/dbraw/zinc/09/34/89/721093489.db2.gz UTIFWRBACSDQGB-LEWJYISDSA-N 1 0 451.958 3.584 20 0 JHADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164877688 721148661 /nfs/dbraw/zinc/14/86/61/721148661.db2.gz PPWDAUSSQGLISE-SJORKVTESA-N 1 0 461.900 3.810 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164880709 721156005 /nfs/dbraw/zinc/15/60/05/721156005.db2.gz XFEDEBCKLRRHHK-WMZOPIPTSA-N 1 0 475.927 3.711 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164880707 721156571 /nfs/dbraw/zinc/15/65/71/721156571.db2.gz XFEDEBCKLRRHHK-FUHWJXTLSA-N 1 0 475.927 3.711 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164767726 721201652 /nfs/dbraw/zinc/20/16/52/721201652.db2.gz KLAOHWGGUXNRLB-SFTDATJTSA-N 1 0 491.709 3.858 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C[C@H]3C2)cn1 ZINC001164771425 721201675 /nfs/dbraw/zinc/20/16/75/721201675.db2.gz POZJAIDFZLKYCX-WOJBJXKFSA-N 1 0 450.974 3.679 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164767677 721226878 /nfs/dbraw/zinc/22/68/78/721226878.db2.gz KJAXZQJDJPOQQL-ZEQRLZLVSA-N 1 0 457.626 3.826 20 0 JHADRO CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@@H]32)N=C1C ZINC001164871730 721236115 /nfs/dbraw/zinc/23/61/15/721236115.db2.gz HPWNYMJQXBVKOB-GTCCEBARSA-N 1 0 463.960 3.522 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCC[C@H]3[C@@H](C(=O)NCc3cccnc3)C2)nc1 ZINC001164873116 721305101 /nfs/dbraw/zinc/30/51/01/721305101.db2.gz AJXURTNICUIJND-JBXUNAHCSA-N 1 0 463.626 3.571 20 0 JHADRO COC(=O)C[C@@H](c1ccnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1)C1CC1 ZINC001164781304 721364025 /nfs/dbraw/zinc/36/40/25/721364025.db2.gz ISAXMUCNQBKOJD-KCWPFWIISA-N 1 0 482.625 3.862 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc5ccsc5c(Cl)n4)C3)O2)CC1 ZINC001164894647 721394793 /nfs/dbraw/zinc/39/47/93/721394793.db2.gz ZQQHZOCSPFXXLW-MGPUTAFESA-N 1 0 472.005 3.655 20 0 JHADRO CSc1ccc(Oc2cc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)ncn2)cc1 ZINC001164890721 721427792 /nfs/dbraw/zinc/42/77/92/721427792.db2.gz DOZLWBZKGPRFRC-OFVILXPXSA-N 1 0 469.655 3.756 20 0 JHADRO Cc1nc2sc3c(c2c(N2CC[C@@]4(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O4)n1)CCCC3 ZINC001164894959 721432279 /nfs/dbraw/zinc/43/22/79/721432279.db2.gz NUSQGIWZTQTSPJ-UQBPGWFLSA-N 1 0 455.672 3.644 20 0 JHADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164893027 721433027 /nfs/dbraw/zinc/43/30/27/721433027.db2.gz ISTNTFFRSXBEQS-SIBVEZHUSA-N 1 0 487.044 3.830 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccc(F)cc4)C3)O2)CC1 ZINC001164895451 721436203 /nfs/dbraw/zinc/43/62/03/721436203.db2.gz PDQSFHUHYCBAFW-YKSBVNFPSA-N 1 0 475.996 3.827 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cccc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164898261 721438251 /nfs/dbraw/zinc/43/82/51/721438251.db2.gz VNGSFJOFGHYMIF-VGSWGCGISA-N 1 0 465.976 3.594 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncccc4OCc4ccc(F)cc4)C3)O2)CC1 ZINC001164898341 721440128 /nfs/dbraw/zinc/44/01/28/721440128.db2.gz VSBWGKNUCRSCCG-JYFHCDHNSA-N 1 0 454.590 3.565 20 0 JHADRO Cc1nc(COC[C@@H]2CCC[C@]23CN(c2cccc(OCC[NH+]4CCCC4)n2)CCO3)cs1 ZINC001164785131 721444591 /nfs/dbraw/zinc/44/45/91/721444591.db2.gz RSDIAPUSOMMKFR-OFVILXPXSA-N 1 0 472.655 3.913 20 0 JHADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1 ZINC001164887076 721448465 /nfs/dbraw/zinc/44/84/65/721448465.db2.gz IPBJKJORXVURAI-BWKNWUBXSA-N 1 0 472.033 3.996 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4c(Cl)ccc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164892094 721451821 /nfs/dbraw/zinc/45/18/21/721451821.db2.gz WZPONYLKFIXCSB-ZHRRBRCNSA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164885557 721453515 /nfs/dbraw/zinc/45/35/15/721453515.db2.gz FOEJZIVMXTZQOR-HTAPYJJXSA-N 1 0 454.993 3.534 20 0 JHADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164887890 721453809 /nfs/dbraw/zinc/45/38/09/721453809.db2.gz KWINDWHNSVGYSE-HOYKHHGWSA-N 1 0 462.997 3.801 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cc(C(=O)OC)ccc31)CC2 ZINC001164789857 721457810 /nfs/dbraw/zinc/45/78/10/721457810.db2.gz XUTVCNPEIISMBP-HSZRJFAPSA-N 1 0 467.610 3.755 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1N)CC2 ZINC001164786886 721460325 /nfs/dbraw/zinc/46/03/25/721460325.db2.gz QFEYGGWNAREACR-KRWDZBQOSA-N 1 0 458.981 3.596 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)c3cc(OC)ccc3n1)CC2 ZINC001164789221 721462032 /nfs/dbraw/zinc/46/20/32/721462032.db2.gz VWHMZYWEPFLNAP-NRFANRHFSA-N 1 0 454.615 3.681 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164786610 721464148 /nfs/dbraw/zinc/46/41/48/721464148.db2.gz OPXOEPVSZLIQRM-MRXNPFEDSA-N 1 0 477.021 3.698 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CC2 ZINC001164787271 721467400 /nfs/dbraw/zinc/46/74/00/721467400.db2.gz DULWUSZJHPWHSN-HSZRJFAPSA-N 1 0 494.636 3.649 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3ccccn3)nc(C)c1C)CC2 ZINC001164787952 721469550 /nfs/dbraw/zinc/46/95/50/721469550.db2.gz GOVVZAZNDGZERM-HSZRJFAPSA-N 1 0 465.642 3.889 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(-c3ccncc3)nc3c1CCC3)CC2 ZINC001164789586 721470253 /nfs/dbraw/zinc/47/02/53/721470253.db2.gz OLQLJVSRIDWHOH-QHCPKHFHSA-N 1 0 477.653 3.761 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c(cc(OC)cc3OC)n1)CC2 ZINC001164790594 721471703 /nfs/dbraw/zinc/47/17/03/721471703.db2.gz RTQHDULRJQQNJB-NRFANRHFSA-N 1 0 469.626 3.986 20 0 JHADRO Fc1cccnc1OC[C@@]12COC[C@@H]1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164792169 721485777 /nfs/dbraw/zinc/48/57/77/721485777.db2.gz HPRGHVTVTMPPDB-WXVAWEFUSA-N 1 0 460.553 3.706 20 0 JHADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164900566 721510253 /nfs/dbraw/zinc/51/02/53/721510253.db2.gz SKZVQFSVQMAJOM-QUCCMNQESA-N 1 0 475.524 3.540 20 0 JHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CC[N@@H+]3C2)c1 ZINC001164896943 721518278 /nfs/dbraw/zinc/51/82/78/721518278.db2.gz CSKSYQBPKKCFRN-LADGPHEKSA-N 1 0 459.569 3.516 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccc(-c5ccccc5)cc4)nn2)CC3)CC1 ZINC001164794264 721520889 /nfs/dbraw/zinc/52/08/89/721520889.db2.gz ASYFLWZGFOSIMT-UHFFFAOYSA-N 1 0 465.605 3.775 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(Cl)nc4c2CCCCC4)CC3)CC1 ZINC001164795836 721522782 /nfs/dbraw/zinc/52/27/82/721522782.db2.gz SXQYQQUHMRCSFY-UHFFFAOYSA-N 1 0 464.992 3.513 20 0 JHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)CC[N@@H+]3C2)c1 ZINC001164897607 721523049 /nfs/dbraw/zinc/52/30/49/721523049.db2.gz GACGCYBFUYACJT-WCQYABFASA-N 1 0 469.735 3.861 20 0 JHADRO COC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164900713 721523139 /nfs/dbraw/zinc/52/31/39/721523139.db2.gz UGRLISKMURUOAV-HOCLYGCPSA-N 1 0 455.864 3.548 20 0 JHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164905839 721527447 /nfs/dbraw/zinc/52/74/47/721527447.db2.gz IXBUGUYMIRZCFV-HOCLYGCPSA-N 1 0 455.864 3.548 20 0 JHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4ncn5[C@@H]4CCCCO4)CC[N@@H+]3C2)c1 ZINC001164904628 721533366 /nfs/dbraw/zinc/53/33/66/721533366.db2.gz FPXPMHLFYRMTJA-QRQLOZEOSA-N 1 0 472.952 3.660 20 0 JHADRO CCOc1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2cc1OCC ZINC001164809393 721554910 /nfs/dbraw/zinc/55/49/10/721554910.db2.gz WWEMMAWDRVGHSG-HWBMXIPRSA-N 1 0 463.582 3.690 20 0 JHADRO O=C(NC1CCCC1)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164908235 721555837 /nfs/dbraw/zinc/55/58/37/721555837.db2.gz QANWEMPSGQOMHB-PZJWPPBQSA-N 1 0 458.965 3.888 20 0 JHADRO CCOC(=O)c1cc2c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)[nH]c(C)c(C)c-2n1 ZINC001164804011 721563720 /nfs/dbraw/zinc/56/37/20/721563720.db2.gz KQYNCGPATSBCGS-WPFOTENUSA-N 1 0 463.582 3.620 20 0 JHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(NC(=O)OC(C)(C)C)c3nc[nH]c32)[C@H]2CCCO[C@H]12 ZINC001164806045 721574276 /nfs/dbraw/zinc/57/42/76/721574276.db2.gz PFHLMHDCEOQNDL-JQVVWYNYSA-N 1 0 479.585 3.568 20 0 JHADRO CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H]2CCCO[C@H]12 ZINC001164808891 721591694 /nfs/dbraw/zinc/59/16/94/721591694.db2.gz RGLSKFCTJDTTAL-ZLNRFVROSA-N 1 0 489.998 3.920 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(C2)COCc2c(C)nc(N(C)C)nc23)nc1 ZINC001164809359 721606763 /nfs/dbraw/zinc/60/67/63/721606763.db2.gz ZZJHGTXMRDDSQX-NVQXNPDNSA-N 1 0 450.631 3.861 20 0 JHADRO FC1(F)CCN(c2nc3ccccc3nc2N2CCOCC2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904913 721702418 /nfs/dbraw/zinc/70/24/18/721702418.db2.gz HOCYGMICNHYJTR-VWLOTQADSA-N 1 0 480.563 3.599 20 0 JHADRO CC(C)N1Cc2c(nc(Cl)nc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)C1=O ZINC001164904980 721720696 /nfs/dbraw/zinc/72/06/96/721720696.db2.gz GGZVOVPQSJEAJG-JOCHJYFZSA-N 1 0 476.959 3.627 20 0 JHADRO Cc1cc(NC(=O)c2cccnc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)no1 ZINC001164906471 721723030 /nfs/dbraw/zinc/72/30/30/721723030.db2.gz MDXUFJJVWWBIQL-QHCPKHFHSA-N 1 0 468.508 3.763 20 0 JHADRO COC(=O)c1nc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164912793 721737715 /nfs/dbraw/zinc/73/77/15/721737715.db2.gz QFUAHQMSYWEGIA-IBGZPJMESA-N 1 0 472.323 3.703 20 0 JHADRO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019591 721804183 /nfs/dbraw/zinc/80/41/83/721804183.db2.gz DGINAXDWFOQWFK-CGTJXYLNSA-N 1 0 450.965 3.873 20 0 JHADRO Cc1cc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001165021601 721817219 /nfs/dbraw/zinc/81/72/19/721817219.db2.gz FBUMQARWTMBGMB-IEIRFRATSA-N 1 0 478.666 3.968 20 0 JHADRO CCOC(=O)c1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2s1 ZINC001165024686 721818411 /nfs/dbraw/zinc/81/84/11/721818411.db2.gz KIPVFCUXZCYVCN-XKGZKEIXSA-N 1 0 451.596 4.000 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)nc1 ZINC001164928310 721833777 /nfs/dbraw/zinc/83/37/77/721833777.db2.gz XOCINEADVBCGIT-ILBGXUMGSA-N 1 0 471.671 3.501 20 0 JHADRO COC(=O)c1ccc2ncnc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c2c1 ZINC001165022171 721839067 /nfs/dbraw/zinc/83/90/67/721839067.db2.gz PYHMLWAJWPFVCA-UHFFFAOYSA-N 1 0 450.539 3.534 20 0 JHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164920943 721841401 /nfs/dbraw/zinc/84/14/01/721841401.db2.gz LZZIJDSGSINWIT-AUSIDOKSSA-N 1 0 476.955 3.721 20 0 JHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(CO)ccc2NC(=O)C(C)(C)C)CC1 ZINC001165021177 721842504 /nfs/dbraw/zinc/84/25/04/721842504.db2.gz GCBUYSLKNTWABS-UHFFFAOYSA-N 1 0 470.614 3.677 20 0 JHADRO CCC[C@@H](C)NS(=O)(=O)c1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1 ZINC001165023252 721843933 /nfs/dbraw/zinc/84/39/33/721843933.db2.gz ZFIQRNBZAYVNKY-LJQANCHMSA-N 1 0 490.670 3.667 20 0 JHADRO Cc1nc2c(cc(-c3nc(N4CC[C@@H]5[C@H]4CCN5CC[NH+](C)C)ncc3F)cc2F)n1C(C)C ZINC001164925250 721863470 /nfs/dbraw/zinc/86/34/70/721863470.db2.gz NBYNZOYXHXTDKJ-NHCUHLMSSA-N 1 0 469.584 3.875 20 0 JHADRO Cc1nc2c(cc(-c3nc(N4CC[C@H]5[C@@H]4CCN5CC[NH+](C)C)ncc3F)cc2F)n1C(C)C ZINC001164925256 721863723 /nfs/dbraw/zinc/86/37/23/721863723.db2.gz NBYNZOYXHXTDKJ-SFTDATJTSA-N 1 0 469.584 3.875 20 0 JHADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164934575 721879578 /nfs/dbraw/zinc/87/95/78/721879578.db2.gz SDKNBJQEYXDHBH-RTWAWAEBSA-N 1 0 468.715 3.771 20 0 JHADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(CN(C)C)nc2scc(-c3ccccc3)c21 ZINC001164933320 721885411 /nfs/dbraw/zinc/88/54/11/721885411.db2.gz LZOJZFBDBOHGQL-RTWAWAEBSA-N 1 0 450.656 3.635 20 0 JHADRO COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c(Cl)nn2)c1 ZINC001164933549 721889937 /nfs/dbraw/zinc/88/99/37/721889937.db2.gz MRHTZLWOQWLIFY-PMACEKPBSA-N 1 0 451.949 3.565 20 0 JHADRO COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c(Cl)nn2)cc1 ZINC001164933405 721890184 /nfs/dbraw/zinc/89/01/84/721890184.db2.gz LOEKXNJZWXDQMV-UXHICEINSA-N 1 0 451.949 3.565 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4CN(C(C)C)C5=O)CC3)C2)cc1 ZINC001164940720 721929802 /nfs/dbraw/zinc/92/98/02/721929802.db2.gz YRQUNLAVXBBZRJ-UHFFFAOYSA-N 1 0 470.017 3.674 20 0 JHADRO C(C[NH+]1CCCC1)[C@H]1CCCCN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001165047379 721975801 /nfs/dbraw/zinc/97/58/01/721975801.db2.gz FUYPHRRRAUKFSZ-LJQANCHMSA-N 1 0 455.672 3.857 20 0 JHADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164951315 722015978 /nfs/dbraw/zinc/01/59/78/722015978.db2.gz AACOQFNLRCBWID-UHFFFAOYSA-N 1 0 488.617 3.556 20 0 JHADRO c1ccc(CN2CCc3c(ncnc3N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)C2)cc1 ZINC001164951746 722016644 /nfs/dbraw/zinc/01/66/44/722016644.db2.gz DDROINNGWOOCQS-UHFFFAOYSA-N 1 0 454.622 3.922 20 0 JHADRO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955662 722018656 /nfs/dbraw/zinc/01/86/56/722018656.db2.gz MJMGKMLBRXEILF-UHFFFAOYSA-N 1 0 463.413 3.508 20 0 JHADRO CS(=O)(=O)c1cc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cnc1Cl ZINC001164957281 722024929 /nfs/dbraw/zinc/02/49/29/722024929.db2.gz ASOGUNPQCONGRU-UHFFFAOYSA-N 1 0 470.973 3.571 20 0 JHADRO 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c1cn(Cc2ccccc2)c2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164974026 722124601 /nfs/dbraw/zinc/12/46/01/722124601.db2.gz IHJCXFISMAPKKL-NOZRDPDXSA-N 1 0 454.578 3.602 20 0 JHADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981489 722137570 /nfs/dbraw/zinc/13/75/70/722137570.db2.gz OZSNRPSZGHSSSJ-DENIHFKCSA-N 1 0 481.984 3.582 20 0 JHADRO c1ccc(-c2nsc3c2ncnc3N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164982805 722143096 /nfs/dbraw/zinc/14/30/96/722143096.db2.gz SSBQIAXLVFLTFF-NHCUHLMSSA-N 1 0 458.591 3.876 20 0 JHADRO CC(C)(C)OC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164977884 722152855 /nfs/dbraw/zinc/15/28/55/722152855.db2.gz ZAMTWEWXYZJQNH-RXVVDRJESA-N 1 0 458.990 3.813 20 0 JHADRO Clc1ccc(OC(Cl)(Cl)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cn1 ZINC001164971566 722158010 /nfs/dbraw/zinc/15/80/10/722158010.db2.gz BSFLAEXSGGXVFB-WMZOPIPTSA-N 1 0 457.789 3.821 20 0 JHADRO Clc1ccc(OC(Cl)(Cl)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cn1 ZINC001164971315 722158047 /nfs/dbraw/zinc/15/80/47/722158047.db2.gz BSFLAEXSGGXVFB-FUHWJXTLSA-N 1 0 457.789 3.821 20 0 JHADRO COc1cc2cc[nH+]c(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)c2cc1OC ZINC001164989038 722182845 /nfs/dbraw/zinc/18/28/45/722182845.db2.gz LDADMGIEUHYHQL-SFTDATJTSA-N 1 0 454.596 3.887 20 0 JHADRO COc1cc2c[nH+]c(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)cc2cc1OC ZINC001164990867 722185575 /nfs/dbraw/zinc/18/55/75/722185575.db2.gz SCLWFJYBAMLYTL-SFTDATJTSA-N 1 0 454.596 3.887 20 0 JHADRO CC(=O)Oc1cc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2cc1OC(C)=O ZINC001164995294 722205243 /nfs/dbraw/zinc/20/52/43/722205243.db2.gz MBNXUEXIWXCWHP-SANMLTNESA-N 1 0 478.524 3.864 20 0 JHADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)C1 ZINC001164996653 722208284 /nfs/dbraw/zinc/20/82/84/722208284.db2.gz UTUJVYXTCXAMJP-QFQXNSOFSA-N 1 0 467.589 3.640 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2ccsc2)CC[N@@H+]1CCOC ZINC001306622729 1069312965 /nfs/dbraw/zinc/31/29/65/1069312965.db2.gz DBDRSSLLZFQHIR-SQJMNOBHSA-N 1 0 484.670 3.555 20 0 JHADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)Nc3cc(C(F)(F)F)n(C)n3)cc2)C[C@@H]1C ZINC001311276936 1069313778 /nfs/dbraw/zinc/31/37/78/1069313778.db2.gz MHWIRRIRJYLHGC-HOTGVXAUSA-N 1 0 453.509 3.770 20 0 JHADRO Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1S(=O)(=O)N(C)C ZINC001311279479 1069314646 /nfs/dbraw/zinc/31/46/46/1069314646.db2.gz OJGOBNHALXZKSW-OXQOHEQNSA-N 1 0 450.630 3.511 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)c2ccccc2)CC[N@@H+]1CCOC ZINC001306624131 1069317350 /nfs/dbraw/zinc/31/73/50/1069317350.db2.gz IFHXLJQFDOPPGC-TZIWHRDSSA-N 1 0 463.573 3.511 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(C)CCCS2)CC[N@@H+]1CCOC ZINC001306624446 1069317930 /nfs/dbraw/zinc/31/79/30/1069317930.db2.gz KDAHQCLDXQTXOD-QTEQDKRBSA-N 1 0 451.681 3.743 20 0 JHADRO COCC(=O)N1CCCc2ccc(NC(=O)N[C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC001311292810 1069318395 /nfs/dbraw/zinc/31/83/95/1069318395.db2.gz UTGQHLXKSOMNNM-KNQAVFIVSA-N 1 0 450.583 3.644 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CC2)CC[N@@H+]1CCOC ZINC001306624892 1069318469 /nfs/dbraw/zinc/31/84/69/1069318469.db2.gz MVXVSCWNZLCASL-VXKWHMMOSA-N 1 0 490.693 3.740 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2nc(C)c(C)s2)CC[N@@H+]1CCOC ZINC001306625660 1069320189 /nfs/dbraw/zinc/32/01/89/1069320189.db2.gz SFCMPTAXRGXMSA-VQTJNVASSA-N 1 0 462.664 3.578 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC001306626285 1069321516 /nfs/dbraw/zinc/32/15/16/1069321516.db2.gz XRZJEZGYULRZHI-GOTSBHOMSA-N 1 0 457.619 3.514 20 0 JHADRO CCc1ccc(C(=O)N2CCN(C(=O)Nc3cccc(OCC[NH+](CC)CC)c3)CC2)cc1 ZINC001311313070 1069322065 /nfs/dbraw/zinc/32/20/65/1069322065.db2.gz ARVKRKVTNDIBIN-UHFFFAOYSA-N 1 0 452.599 3.960 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CC[NH+](CC)CC2)CCO1 ZINC001306626901 1069323225 /nfs/dbraw/zinc/32/32/25/1069323225.db2.gz NYRDXSRZADIOBF-QHCPKHFHSA-N 1 0 475.081 3.555 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ccccc1 ZINC001311327293 1069324920 /nfs/dbraw/zinc/32/49/20/1069324920.db2.gz QLRWNMMYUQYUFM-OALUTQOASA-N 1 0 454.575 3.973 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C)nc2)CC[N@@H+]1CCOC ZINC001306628266 1069325876 /nfs/dbraw/zinc/32/58/76/1069325876.db2.gz XWCZLIYOKNBINY-DEOSSOPVSA-N 1 0 466.605 3.697 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC)n2Cc2c(C)nn(-c3ccccc3)c2C)CC[N@@H+]1CCOC ZINC001306628338 1069326680 /nfs/dbraw/zinc/32/66/80/1069326680.db2.gz YWHTZQNEMMNTHH-HSZRJFAPSA-N 1 0 465.646 3.628 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC2CCC(F)(F)CC2)CC[N@@H+]1CCOC ZINC001306632462 1069334750 /nfs/dbraw/zinc/33/47/50/1069334750.db2.gz YMJJNORVJQEVDR-VQTJNVASSA-N 1 0 455.594 3.545 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)CCO1 ZINC001306633492 1069336984 /nfs/dbraw/zinc/33/69/84/1069336984.db2.gz BZEODWKAMZGIHY-UWHLTILDSA-N 1 0 476.666 3.538 20 0 JHADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)cc1 ZINC001311355499 1069339460 /nfs/dbraw/zinc/33/94/60/1069339460.db2.gz FANQWIBEDLWUEV-DNQXCXABSA-N 1 0 453.583 3.505 20 0 JHADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[C@H]3COc3ccc(F)cc3)cc2)CC1 ZINC001311357559 1069341449 /nfs/dbraw/zinc/34/14/49/1069341449.db2.gz JFVJSRACCBNMFY-DEOSSOPVSA-N 1 0 454.590 3.716 20 0 JHADRO Cc1ccc(C(=O)NCCNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cc1F ZINC001311357965 1069341865 /nfs/dbraw/zinc/34/18/65/1069341865.db2.gz CHUOJNQHWASANR-RTBURBONSA-N 1 0 454.590 3.841 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)N1CCOC[C@@H]1CC(F)F ZINC001311377440 1069350881 /nfs/dbraw/zinc/35/08/81/1069350881.db2.gz AUNGJWSUNSTIGZ-QHCPKHFHSA-N 1 0 458.553 3.574 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001306637736 1069347012 /nfs/dbraw/zinc/34/70/12/1069347012.db2.gz LNQOWBMSZVFVTH-JOCHJYFZSA-N 1 0 460.667 3.527 20 0 JHADRO CCCCCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[NH+](C)C)C(C)C ZINC001306638671 1069349026 /nfs/dbraw/zinc/34/90/26/1069349026.db2.gz KCHYUZNGEBQXLI-WOJBJXKFSA-N 1 0 466.671 3.942 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)CC2)c1 ZINC001311382553 1069355292 /nfs/dbraw/zinc/35/52/92/1069355292.db2.gz XZXWYYZRDHHCSZ-RPWUZVMVSA-N 1 0 458.553 3.615 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N1CCn2c(CCc3ccccc3)nnc2C1)c1ccsc1 ZINC001311395439 1069360491 /nfs/dbraw/zinc/36/04/91/1069360491.db2.gz LMKNATSJGFSQCV-OAQYLSRUSA-N 1 0 452.628 3.733 20 0 JHADRO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001311395416 1069360556 /nfs/dbraw/zinc/36/05/56/1069360556.db2.gz KAUCNDZBGWOPCR-REHUZNOOSA-N 1 0 453.631 3.894 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21)C1CCCCC1 ZINC001311397727 1069360867 /nfs/dbraw/zinc/36/08/67/1069360867.db2.gz SSDONNYNMFJVOH-XLIONFOSSA-N 1 0 454.537 3.879 20 0 JHADRO CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001306650945 1069362435 /nfs/dbraw/zinc/36/24/35/1069362435.db2.gz ZMDPARBBQSXBIT-NRFANRHFSA-N 1 0 490.643 3.569 20 0 JHADRO C[C@@H](NC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(OC(F)F)c1 ZINC001311407947 1069365660 /nfs/dbraw/zinc/36/56/60/1069365660.db2.gz AOBAXRHBQBVOGI-OAHLLOKOSA-N 1 0 456.534 3.637 20 0 JHADRO CCCCCn1c(CCc2ccccc2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001306654239 1069365807 /nfs/dbraw/zinc/36/58/07/1069365807.db2.gz HMXPESLSWJXCPI-DHLKQENFSA-N 1 0 466.674 3.632 20 0 JHADRO CC(C)[NH+](CCNC(=O)N1CCC([C@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1)C(C)C ZINC001311420671 1069368470 /nfs/dbraw/zinc/36/84/70/1069368470.db2.gz LQDKZLKACRPZHF-LEWJYISDSA-N 1 0 454.656 3.599 20 0 JHADRO CCCCCn1cc(Cn2c(Cc3ccncc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)c(C)n1 ZINC001306657344 1069371077 /nfs/dbraw/zinc/37/10/77/1069371077.db2.gz IZYUHZXEJYUCJS-FQEVSTJZSA-N 1 0 450.635 3.538 20 0 JHADRO COc1ccc(C[C@@H](C)CN(C)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC001311424169 1069372513 /nfs/dbraw/zinc/37/25/13/1069372513.db2.gz PYMDNIIPXUPSES-ATIYNZHBSA-N 1 0 452.643 3.894 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)C1 ZINC001311431835 1069376943 /nfs/dbraw/zinc/37/69/43/1069376943.db2.gz FGOLVCJVLOQOAF-ALQKUKDOSA-N 1 0 451.652 3.713 20 0 JHADRO C[NH+](C)Cc1cccc(CNC(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c1 ZINC001311445452 1069382991 /nfs/dbraw/zinc/38/29/91/1069382991.db2.gz BTINSJXVAGIELO-MSOLQXFVSA-N 1 0 458.525 3.593 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCCC2)CC1 ZINC001306662706 1069384408 /nfs/dbraw/zinc/38/44/08/1069384408.db2.gz ZDXSMYLVCBVAPC-UHFFFAOYSA-N 1 0 488.080 3.954 20 0 JHADRO C[NH+]1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)NCCC(C)(C)C)CC1 ZINC001311461560 1069388446 /nfs/dbraw/zinc/38/84/46/1069388446.db2.gz ZKYAZBAPRRGSSP-UHFFFAOYSA-N 1 0 457.432 3.783 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC[C@H]1c1ccc(F)cc1 ZINC001311461882 1069389391 /nfs/dbraw/zinc/38/93/91/1069389391.db2.gz JXSHCJQWNNPCBY-BULFRSBZSA-N 1 0 460.594 3.702 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(OC)c1 ZINC001311469199 1069392738 /nfs/dbraw/zinc/39/27/38/1069392738.db2.gz JPXGEWWNSMEETF-UNMCSNQZSA-N 1 0 453.505 3.827 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001306665944 1069393265 /nfs/dbraw/zinc/39/32/65/1069393265.db2.gz QXZBSOIAJSERCT-GGAORHGYSA-N 1 0 474.694 3.727 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001306666692 1069395138 /nfs/dbraw/zinc/39/51/38/1069395138.db2.gz ZRJJSHVRFVJGCJ-GOTSBHOMSA-N 1 0 474.694 3.521 20 0 JHADRO CCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001306675253 1069399832 /nfs/dbraw/zinc/39/98/32/1069399832.db2.gz QTFITJGDQHTBIX-NHCUHLMSSA-N 1 0 478.682 3.943 20 0 JHADRO CCCCN(C)c1nnc(Cn2nc(C)cc2C)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001306677033 1069400891 /nfs/dbraw/zinc/40/08/91/1069400891.db2.gz PAAWASOLCYOFJY-UHFFFAOYSA-N 1 0 457.667 3.659 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2cccc(Br)c2C1 ZINC001306678951 1069403640 /nfs/dbraw/zinc/40/36/40/1069403640.db2.gz GYESTQJOFBZBGV-UHFFFAOYSA-N 1 0 498.429 3.940 20 0 JHADRO CC(C)[NH+](CCCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(C)C ZINC001306678462 1069403001 /nfs/dbraw/zinc/40/30/01/1069403001.db2.gz GZEFMWFMQQLHDT-UHFFFAOYSA-N 1 0 459.656 3.866 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)c2)CC1 ZINC001306678409 1069403077 /nfs/dbraw/zinc/40/30/77/1069403077.db2.gz AZOYVOOYWNUDIO-XMMPIXPASA-N 1 0 487.714 3.680 20 0 JHADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)cc1 ZINC001311493038 1069404211 /nfs/dbraw/zinc/40/42/11/1069404211.db2.gz IMXSRKGNWNLVJI-NHZRIVAWSA-N 1 0 457.615 3.561 20 0 JHADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC3(OCCO)CCC(F)(F)CC3)cc2)C1 ZINC001311494521 1069404951 /nfs/dbraw/zinc/40/49/51/1069404951.db2.gz DZRRWXJZHJKTJQ-LJQANCHMSA-N 1 0 453.574 3.675 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001306679868 1069405996 /nfs/dbraw/zinc/40/59/96/1069405996.db2.gz LQSNDKWUUGNRKI-UHFFFAOYSA-N 1 0 490.656 3.601 20 0 JHADRO COc1ccc(C2=NO[C@H](CNC(=O)NCc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)C2)cc1 ZINC001311499051 1069408470 /nfs/dbraw/zinc/40/84/70/1069408470.db2.gz UFUYEUAYUOJMRA-DVECYGJZSA-N 1 0 450.583 3.920 20 0 JHADRO CCc1cc(N2CCC[C@@H](NC(=O)NCc3ccccc3C[N@@H+]3CCCC[C@@H]3C)C2)ncn1 ZINC001311496588 1069406241 /nfs/dbraw/zinc/40/62/41/1069406241.db2.gz XAEURSCATKKVEK-GBXCKJPGSA-N 1 0 450.631 3.882 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001306680221 1069407169 /nfs/dbraw/zinc/40/71/69/1069407169.db2.gz BIWZFKPBFPJDEE-RBUKOAKNSA-N 1 0 477.053 3.860 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)CC[C@H]1C ZINC001306681824 1069412048 /nfs/dbraw/zinc/41/20/48/1069412048.db2.gz VEDRNJDSPPKDTF-RTBURBONSA-N 1 0 475.707 3.903 20 0 JHADRO COc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)C2)cc1 ZINC001311499052 1069408490 /nfs/dbraw/zinc/40/84/90/1069408490.db2.gz UFUYEUAYUOJMRA-NTKDMRAZSA-N 1 0 450.583 3.920 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001306680811 1069408517 /nfs/dbraw/zinc/40/85/17/1069408517.db2.gz GNBLGJOHUSTEOL-GOSISDBHSA-N 1 0 491.036 3.882 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001306680920 1069409150 /nfs/dbraw/zinc/40/91/50/1069409150.db2.gz WGWQMCZHAZUMRK-TZIWHRDSSA-N 1 0 478.682 3.644 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001306682049 1069412675 /nfs/dbraw/zinc/41/26/75/1069412675.db2.gz APPWKEHWJIIEEH-QFIPXVFZSA-N 1 0 461.676 3.643 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCSC(C)(C)C1 ZINC001306681369 1069409777 /nfs/dbraw/zinc/40/97/77/1069409777.db2.gz KYDALYLCKPYZEV-UHFFFAOYSA-N 1 0 493.747 3.610 20 0 JHADRO CCCN(C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001311501361 1069410209 /nfs/dbraw/zinc/41/02/09/1069410209.db2.gz IHSBBDUTKSWRNY-DHIUTWEWSA-N 1 0 457.663 3.883 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001306683478 1069417169 /nfs/dbraw/zinc/41/71/69/1069417169.db2.gz YTCXQFVUTVVADF-UHFFFAOYSA-N 1 0 455.588 3.925 20 0 JHADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)NCc1ccc(OC2CCCC2)nc1 ZINC001311507475 1069413867 /nfs/dbraw/zinc/41/38/67/1069413867.db2.gz CJKLQMQAJHFURK-UHFFFAOYSA-N 1 0 457.663 3.741 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001306682804 1069415133 /nfs/dbraw/zinc/41/51/33/1069415133.db2.gz LHBMVVPZJSZAGK-UHFFFAOYSA-N 1 0 463.630 3.530 20 0 JHADRO C[C@H]1CN(C(C)(C)CNC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)C[C@H](C)O1 ZINC001311510832 1069415890 /nfs/dbraw/zinc/41/58/90/1069415890.db2.gz LHGJUIRKJQXCII-GJZGRUSLSA-N 1 0 455.521 3.596 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC001306683227 1069415942 /nfs/dbraw/zinc/41/59/42/1069415942.db2.gz PLFGZNJCDOIMSR-NRFANRHFSA-N 1 0 469.609 3.535 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001306684652 1069419343 /nfs/dbraw/zinc/41/93/43/1069419343.db2.gz RESMODBGTDZQCK-UHFFFAOYSA-N 1 0 462.598 3.877 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 ZINC001306686131 1069422075 /nfs/dbraw/zinc/42/20/75/1069422075.db2.gz RMHDVFKRIPIJRY-HXUWFJFHSA-N 1 0 478.682 3.945 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306687235 1069423968 /nfs/dbraw/zinc/42/39/68/1069423968.db2.gz HSKQTZUZOGBQHK-UHFFFAOYSA-N 1 0 472.987 3.939 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001306687168 1069424056 /nfs/dbraw/zinc/42/40/56/1069424056.db2.gz ZMKDLYOVOGINLR-NRFANRHFSA-N 1 0 496.578 3.597 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001306687449 1069424126 /nfs/dbraw/zinc/42/41/26/1069424126.db2.gz HYOPDHLACWGORN-HSZRJFAPSA-N 1 0 468.646 3.569 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC001306687834 1069424476 /nfs/dbraw/zinc/42/44/76/1069424476.db2.gz LJNNFKPJBHDKGC-UHFFFAOYSA-N 1 0 466.655 3.824 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001306687794 1069424631 /nfs/dbraw/zinc/42/46/31/1069424631.db2.gz KJKGJAUPGGABSE-PXNSSMCTSA-N 1 0 491.706 3.715 20 0 JHADRO C[NH+](C)Cc1ccnc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 ZINC001306690327 1069427787 /nfs/dbraw/zinc/42/77/87/1069427787.db2.gz WTBPTPRTVOBHDG-UHFFFAOYSA-N 1 0 457.328 3.932 20 0 JHADRO CCOc1ccc(-c2cn(C3CN(C(=O)NC[C@@H](C(CC)CC)[NH+]4CCCC4)C3)nn2)cc1 ZINC001311536673 1069429132 /nfs/dbraw/zinc/42/91/32/1069429132.db2.gz OBIZVYGQZBSKDF-DEOSSOPVSA-N 1 0 454.619 3.811 20 0 JHADRO CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001306698510 1069434190 /nfs/dbraw/zinc/43/41/90/1069434190.db2.gz GFSFPNFCHZIIEC-UHFFFAOYSA-N 1 0 481.689 3.942 20 0 JHADRO CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306700195 1069435700 /nfs/dbraw/zinc/43/57/00/1069435700.db2.gz FSDIDBILANKXQG-LEWJYISDSA-N 1 0 458.626 3.962 20 0 JHADRO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001311559459 1069438121 /nfs/dbraw/zinc/43/81/21/1069438121.db2.gz FNQINDOSWLLQMN-QHCPKHFHSA-N 1 0 450.583 3.912 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@]1(CNC(=O)NCC(C)(C)[NH+]1CCCCC1)C(F)(F)F ZINC001311566822 1069440889 /nfs/dbraw/zinc/44/08/89/1069440889.db2.gz WGKDMQILWNITJL-HXUWFJFHSA-N 1 0 450.546 3.882 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc(F)c1 ZINC001311573911 1069445209 /nfs/dbraw/zinc/44/52/09/1069445209.db2.gz UEFJFCJFGVMRLX-PXNSSMCTSA-N 1 0 454.468 3.905 20 0 JHADRO Cc1ccc(CNC(=O)C2CCN(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC2)cc1 ZINC001311577827 1069446827 /nfs/dbraw/zinc/44/68/27/1069446827.db2.gz WNOUZOLJXMFQHB-QFIPXVFZSA-N 1 0 454.640 3.931 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1Cl ZINC001311570039 1069442646 /nfs/dbraw/zinc/44/26/46/1069442646.db2.gz XFIPDBLWACEYEV-BWPNAZKDSA-N 1 0 451.011 3.887 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000751095223 1069443253 /nfs/dbraw/zinc/44/32/53/1069443253.db2.gz JUIUCXGHCFEKQQ-XMSQKQJNSA-N 1 0 455.521 3.957 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(F)c1 ZINC001311573834 1069444446 /nfs/dbraw/zinc/44/44/46/1069444446.db2.gz XMDXJYSCHOFXSU-NJDAHSKKSA-N 1 0 452.496 3.791 20 0 JHADRO CSc1ccc([C@@H](CNC(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)[NH+](C)C)cc1 ZINC001311595644 1069456819 /nfs/dbraw/zinc/45/68/19/1069456819.db2.gz XGMXYIXLNUMGEH-BJKOFHAPSA-N 1 0 456.656 3.692 20 0 JHADRO O=C(N[C@H](CN1CCOCC1)c1ccccc1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001311592456 1069454258 /nfs/dbraw/zinc/45/42/58/1069454258.db2.gz FFNWASQBRJGBPG-CLJLJLNGSA-N 1 0 450.627 3.804 20 0 JHADRO COC(=O)c1ccc(N2CCN(C(=O)NCc3ccccc3C[NH+]3CCCCC3)CC2)s1 ZINC001311592667 1069454870 /nfs/dbraw/zinc/45/48/70/1069454870.db2.gz WUAWESZIAQKLJD-UHFFFAOYSA-N 1 0 456.612 3.552 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(F)ccc2C1 ZINC001306720861 1069456178 /nfs/dbraw/zinc/45/61/78/1069456178.db2.gz OCICOBVCKQWHFR-QFIPXVFZSA-N 1 0 456.610 3.773 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(OC)C1 ZINC001306721602 1069458503 /nfs/dbraw/zinc/45/85/03/1069458503.db2.gz CKDDNDMIPAWALY-QGZVFWFLSA-N 1 0 465.440 3.915 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001306721961 1069459127 /nfs/dbraw/zinc/45/91/27/1069459127.db2.gz DFEBUXKNLXITAA-QFQXNSOFSA-N 1 0 452.647 3.871 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001306722453 1069460288 /nfs/dbraw/zinc/46/02/88/1069460288.db2.gz LNZMWAUZRGDKGZ-GHTZIAJQSA-N 1 0 459.038 3.920 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001306722507 1069460547 /nfs/dbraw/zinc/46/05/47/1069460547.db2.gz IIIDAHKOWDYENV-HSZRJFAPSA-N 1 0 478.645 3.717 20 0 JHADRO CC[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC001311608802 1069460808 /nfs/dbraw/zinc/46/08/08/1069460808.db2.gz WWORHOODPZPGCR-GGAORHGYSA-N 1 0 456.631 3.512 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(CNC(C)=O)CC1 ZINC001306722717 1069461094 /nfs/dbraw/zinc/46/10/94/1069461094.db2.gz KIIHCCGSJZMONG-HSZRJFAPSA-N 1 0 482.673 3.961 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001306725222 1069466501 /nfs/dbraw/zinc/46/65/01/1069466501.db2.gz BFFULBMTVLFIAZ-HSZRJFAPSA-N 1 0 497.688 3.976 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1C(C)(C)C ZINC001306727056 1069471196 /nfs/dbraw/zinc/47/11/96/1069471196.db2.gz CCBMSAQFFZHQHM-HXUWFJFHSA-N 1 0 480.657 3.963 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001306726574 1069469929 /nfs/dbraw/zinc/46/99/29/1069469929.db2.gz DVOIKVUMWFVEMG-WSTZPKSXSA-N 1 0 456.635 3.850 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F ZINC001306726485 1069470017 /nfs/dbraw/zinc/47/00/17/1069470017.db2.gz NELVPXUARWADAJ-CTNGQTDRSA-N 1 0 495.640 3.749 20 0 JHADRO O=C(NCc1cc(F)ccc1Br)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001311619913 1069470535 /nfs/dbraw/zinc/47/05/35/1069470535.db2.gz JMFZWZUTQJBLCF-IBGZPJMESA-N 1 0 450.352 3.679 20 0 JHADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N1CCO[C@H](CCc2ccccc2)C1 ZINC001311634460 1069480965 /nfs/dbraw/zinc/48/09/65/1069480965.db2.gz XROKFHXKMVKBGP-AREMUKBSSA-N 1 0 450.627 3.632 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001306729558 1069478745 /nfs/dbraw/zinc/47/87/45/1069478745.db2.gz KZLDAGXWVZAIGX-FGZHOGPDSA-N 1 0 490.693 3.615 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccccn3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306730097 1069480155 /nfs/dbraw/zinc/48/01/55/1069480155.db2.gz GRGOVKNQWZSBLR-SFTDATJTSA-N 1 0 499.729 3.689 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001306730144 1069480653 /nfs/dbraw/zinc/48/06/53/1069480653.db2.gz MXNFEGBRNAUTPN-UPVQGACJSA-N 1 0 488.721 3.944 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001306729268 1069477597 /nfs/dbraw/zinc/47/75/97/1069477597.db2.gz LRZNSRHSBZUTDU-HYBUGGRVSA-N 1 0 454.663 3.996 20 0 JHADRO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC001311636771 1069482923 /nfs/dbraw/zinc/48/29/23/1069482923.db2.gz LYAPNIKPJUGDBS-HRNNMHKYSA-N 1 0 450.627 3.578 20 0 JHADRO C[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)C[NH+]1CCCCC1 ZINC001311638869 1069484378 /nfs/dbraw/zinc/48/43/78/1069484378.db2.gz REWQGMGTUCGSDD-FXAWDEMLSA-N 1 0 454.537 3.618 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCCN(CC)C(=O)C1 ZINC001306731985 1069487921 /nfs/dbraw/zinc/48/79/21/1069487921.db2.gz UDWFESVQFDTHOJ-XMMPIXPASA-N 1 0 466.674 3.777 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CC2CC[NH+](CCC)CC2)C1 ZINC001306731907 1069487935 /nfs/dbraw/zinc/48/79/35/1069487935.db2.gz KJGFIFOPAOHACG-QPPBQGQZSA-N 1 0 481.689 3.983 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001306732183 1069488701 /nfs/dbraw/zinc/48/87/01/1069488701.db2.gz VGEHFZIXXUGZDS-OAQYLSRUSA-N 1 0 474.694 3.839 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCSC[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306732147 1069488795 /nfs/dbraw/zinc/48/87/95/1069488795.db2.gz VENXWIFRNPVOGP-LGVFNWMJSA-N 1 0 465.708 3.915 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306732959 1069491672 /nfs/dbraw/zinc/49/16/72/1069491672.db2.gz XAIFDTMIIQPNPL-VQTJNVASSA-N 1 0 473.593 3.650 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCOC(C)(C)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 ZINC001306733504 1069493246 /nfs/dbraw/zinc/49/32/46/1069493246.db2.gz ZBHISBWHMDRODX-DNRQZRRGSA-N 1 0 463.667 3.589 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001306734549 1069496976 /nfs/dbraw/zinc/49/69/76/1069496976.db2.gz DHHKSRVQZFMWLM-DENIHFKCSA-N 1 0 456.610 3.557 20 0 JHADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001311671704 1069497916 /nfs/dbraw/zinc/49/79/16/1069497916.db2.gz DQXNDVWWMQHHRH-BRWVUGGUSA-N 1 0 455.430 3.827 20 0 JHADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001311671788 1069497977 /nfs/dbraw/zinc/49/79/77/1069497977.db2.gz GEGROBPPKJRSEG-HCXYKTFWSA-N 1 0 451.453 3.941 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306737423 1069506852 /nfs/dbraw/zinc/50/68/52/1069506852.db2.gz MGMFBAZQLBSOGO-VQTJNVASSA-N 1 0 464.724 3.752 20 0 JHADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001311694581 1069507301 /nfs/dbraw/zinc/50/73/01/1069507301.db2.gz NIAHVRHQSDJHFV-YKSBVNFPSA-N 1 0 457.640 3.773 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001306738352 1069509127 /nfs/dbraw/zinc/50/91/27/1069509127.db2.gz ZLYCTRNAUUJSRL-PWRODBHTSA-N 1 0 455.651 3.669 20 0 JHADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001311712478 1069514570 /nfs/dbraw/zinc/51/45/70/1069514570.db2.gz DDUHJFMPKSDEHN-ROUUACIJSA-N 1 0 450.461 3.540 20 0 JHADRO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC001311742466 1069529501 /nfs/dbraw/zinc/52/95/01/1069529501.db2.gz MHGFIBLDKREDIG-LSDHHAIUSA-N 1 0 450.381 3.980 20 0 JHADRO Cc1ccc([C@H](CNC(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)[NH+](C)C)cc1 ZINC001311746398 1069531485 /nfs/dbraw/zinc/53/14/85/1069531485.db2.gz RXAZHNFEVUQIAC-IBGZPJMESA-N 1 0 454.537 3.717 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001306746494 1069531541 /nfs/dbraw/zinc/53/15/41/1069531541.db2.gz PABIFPDULNMBCU-FYYLOGMGSA-N 1 0 474.694 3.569 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccco1 ZINC001311751059 1069532518 /nfs/dbraw/zinc/53/25/18/1069532518.db2.gz YTIFCMZJSCOZQH-KZNAEPCWSA-N 1 0 452.596 3.722 20 0 JHADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC001311750576 1069532720 /nfs/dbraw/zinc/53/27/20/1069532720.db2.gz ZQAKWAQGLVVQOW-WOJBJXKFSA-N 1 0 454.537 3.531 20 0 JHADRO COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)CC2)cc1 ZINC001311758520 1069535215 /nfs/dbraw/zinc/53/52/15/1069535215.db2.gz OAROOUXXRXKOIP-CLJLJLNGSA-N 1 0 478.637 3.948 20 0 JHADRO COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C)CC2)cc1 ZINC001311759217 1069535424 /nfs/dbraw/zinc/53/54/24/1069535424.db2.gz VKYVGWUNIHGYKE-AUSIDOKSSA-N 1 0 474.646 3.994 20 0 JHADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC001311761090 1069536364 /nfs/dbraw/zinc/53/63/64/1069536364.db2.gz IWNQZTWNIJOLJY-UHFFFAOYSA-N 1 0 458.603 3.657 20 0 JHADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)NCc1csc(Br)c1 ZINC001311761696 1069536741 /nfs/dbraw/zinc/53/67/41/1069536741.db2.gz RAPCXQMAQPORJV-UHFFFAOYSA-N 1 0 452.418 3.727 20 0 JHADRO Cc1ccc(CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)c(O[C@@H](C)CC(C)C)c1 ZINC001311762030 1069536861 /nfs/dbraw/zinc/53/68/61/1069536861.db2.gz XDWXCSGGGQOMOA-NRFANRHFSA-N 1 0 453.631 3.955 20 0 JHADRO O=C(NCCCS(=O)(=O)c1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001311762961 1069537175 /nfs/dbraw/zinc/53/71/75/1069537175.db2.gz NUPLOLRLEDCIBZ-NOTZXAQLSA-N 1 0 455.624 3.735 20 0 JHADRO C[C@@H](CNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[N@@H+]1CCc2ccccc2C1 ZINC001311791442 1069547122 /nfs/dbraw/zinc/54/71/22/1069547122.db2.gz JYWVVHIFVNSLLI-FXAWDEMLSA-N 1 0 457.416 3.774 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001311804966 1069552797 /nfs/dbraw/zinc/55/27/97/1069552797.db2.gz MRHBHSZHKUHODH-UYAOXDASSA-N 1 0 454.537 3.537 20 0 JHADRO COc1cccc2c1CCC[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)C2 ZINC001311825125 1069563026 /nfs/dbraw/zinc/56/30/26/1069563026.db2.gz ZIVKWRQNTRJRTF-GHTZIAJQSA-N 1 0 454.590 3.894 20 0 JHADRO 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C[NH+]1CCN(Cc2cccc(CNC(=O)NCCOc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC001311860304 1069585382 /nfs/dbraw/zinc/58/53/82/1069585382.db2.gz KKOYCJJCSGABBX-UHFFFAOYSA-N 1 0 451.398 3.619 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC(F)(F)F)C1 ZINC001306784760 1069585462 /nfs/dbraw/zinc/58/54/62/1069585462.db2.gz SFFCWYLLQYVUBZ-SFHVURJKSA-N 1 0 494.562 3.629 20 0 JHADRO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001311860874 1069586166 /nfs/dbraw/zinc/58/61/66/1069586166.db2.gz MUUYTEDITTXLTB-UHFFFAOYSA-N 1 0 450.505 3.674 20 0 JHADRO CC(C)C[C@@H](C)Oc1cc(CNC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)ccn1 ZINC001311863284 1069586500 /nfs/dbraw/zinc/58/65/00/1069586500.db2.gz YFIQJTMLZIPPMJ-OAQYLSRUSA-N 1 0 453.631 3.642 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[C@H](OC)C(F)(F)F)C1 ZINC001306785307 1069586703 /nfs/dbraw/zinc/58/67/03/1069586703.db2.gz PIJKLUJUNGDMMC-UWJYYQICSA-N 1 0 497.562 3.852 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCSC2)C1 ZINC001306785815 1069586848 /nfs/dbraw/zinc/58/68/48/1069586848.db2.gz QNOAEDSQTWUAKU-MOPGFXCFSA-N 1 0 459.660 3.884 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001306786583 1069589415 /nfs/dbraw/zinc/58/94/15/1069589415.db2.gz WRHKLBHFXQYPPC-LJQANCHMSA-N 1 0 466.634 3.517 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 ZINC001306787891 1069592571 /nfs/dbraw/zinc/59/25/71/1069592571.db2.gz FFXRYNTZSKLHKK-CZSZKKDXSA-N 1 0 473.687 3.587 20 0 JHADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001311879857 1069593978 /nfs/dbraw/zinc/59/39/78/1069593978.db2.gz QFEYTOUKLBURIH-DEOSSOPVSA-N 1 0 458.647 3.984 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CC=CCO2)C1 ZINC001306788855 1069594180 /nfs/dbraw/zinc/59/41/80/1069594180.db2.gz MXZUKEHUNKBCPC-GOTSBHOMSA-N 1 0 453.631 3.987 20 0 JHADRO 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CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)o1 ZINC001311903318 1069606770 /nfs/dbraw/zinc/60/67/70/1069606770.db2.gz WASXCXYIIGLYDD-UNMCSNQZSA-N 1 0 454.619 3.717 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccccc2C)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306801866 1069606932 /nfs/dbraw/zinc/60/69/32/1069606932.db2.gz AFLPUMYMKVRNCE-UHFFFAOYSA-N 1 0 452.569 3.594 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001306802133 1069608008 /nfs/dbraw/zinc/60/80/08/1069608008.db2.gz GRKHBMXANIYHAJ-NTKDMRAZSA-N 1 0 462.038 3.638 20 0 JHADRO Cc1ccccc1Oc1ccccc1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001311908379 1069608386 /nfs/dbraw/zinc/60/83/86/1069608386.db2.gz IKOCFWNREBMFJN-UHFFFAOYSA-N 1 0 450.583 3.803 20 0 JHADRO CCC[N@H+](CC)CCn1c(CC)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001306802855 1069609976 /nfs/dbraw/zinc/60/99/76/1069609976.db2.gz SKILHSMDPXVFLP-LJQANCHMSA-N 1 0 450.425 3.913 20 0 JHADRO 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CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](OCCOC)C2)C1 ZINC001307036430 1069757075 /nfs/dbraw/zinc/75/70/75/1069757075.db2.gz ZDDRKPHKGFTCLX-IRXDYDNUSA-N 1 0 498.491 3.743 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001307036984 1069757762 /nfs/dbraw/zinc/75/77/62/1069757762.db2.gz ZXNWGYJWGZHTOU-ZIFCJYIRSA-N 1 0 461.573 3.759 20 0 JHADRO COc1ccc(CN2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1F ZINC001312164515 1069759703 /nfs/dbraw/zinc/75/97/03/1069759703.db2.gz LMKKTJZJOHEICT-OFNKIYASSA-N 1 0 454.590 3.715 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2C[C@](C)(O)CC)cc1 ZINC001314193298 1069760187 /nfs/dbraw/zinc/76/01/87/1069760187.db2.gz ZXINZPIYCBBFGC-MVOHMCPASA-N 1 0 457.619 3.651 20 0 JHADRO C[NH+](C)[C@]1(CNC(=O)N2CCC(OCc3ccc(Br)cc3)CC2)CCSC1 ZINC001312166374 1069760663 /nfs/dbraw/zinc/76/06/63/1069760663.db2.gz IAMFTZCOFNOTPK-FQEVSTJZSA-N 1 0 456.450 3.577 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3C)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001307039295 1069763596 /nfs/dbraw/zinc/76/35/96/1069763596.db2.gz QCCFHQMGXKAVCD-HXUWFJFHSA-N 1 0 492.590 3.880 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cnn(CC)c2)C1 ZINC001307039294 1069763709 /nfs/dbraw/zinc/76/37/09/1069763709.db2.gz ULCLEOCHXRGHRM-SFHVURJKSA-N 1 0 457.573 3.732 20 0 JHADRO C[NH+](C)[C@]1(CNC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)CCSC1 ZINC001312166935 1069761278 /nfs/dbraw/zinc/76/12/78/1069761278.db2.gz KMKGLDGVGSCEJU-DEOSSOPVSA-N 1 0 453.612 3.836 20 0 JHADRO O=C(NC1CCC([NH+]2CCCCC2)CC1)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F ZINC001312167634 1069761812 /nfs/dbraw/zinc/76/18/12/1069761812.db2.gz BEZYHQKYZIEDAZ-CTWPCTMYSA-N 1 0 452.521 3.603 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(c3ccccc3OCC)CC2)C1 ZINC001307038789 1069762347 /nfs/dbraw/zinc/76/23/47/1069762347.db2.gz KVMRFKFXMSXLMY-QFIPXVFZSA-N 1 0 454.663 3.934 20 0 JHADRO 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CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(C(N)=O)(c3ccccc3)CC2)C1 ZINC001307045855 1069783152 /nfs/dbraw/zinc/78/31/52/1069783152.db2.gz XHRMTRGCQXBWPS-OAQYLSRUSA-N 1 0 466.674 3.622 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccs2)CC1 ZINC001307045998 1069783856 /nfs/dbraw/zinc/78/38/56/1069783856.db2.gz PQTKINFWSOOXSV-UHFFFAOYSA-N 1 0 487.695 3.963 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001307046049 1069783993 /nfs/dbraw/zinc/78/39/93/1069783993.db2.gz QFHMAKDMWIAAFK-DENIHFKCSA-N 1 0 471.646 3.824 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001314197665 1069780184 /nfs/dbraw/zinc/78/01/84/1069780184.db2.gz NKUDZRKYTANJPA-RTWAWAEBSA-N 1 0 498.672 3.641 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Br)s3)n2C[C@@]2(OC)CCOC2)CC1 ZINC001307044970 1069780324 /nfs/dbraw/zinc/78/03/24/1069780324.db2.gz CCBFELHUXXUCSE-NRFANRHFSA-N 1 0 498.491 3.885 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001312205524 1069780584 /nfs/dbraw/zinc/78/05/84/1069780584.db2.gz WESJRDZKJLVSLK-RUZDIDTESA-N 1 0 455.574 3.980 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(Cc4csc(CC)n4)CC3)nnc2C(C)(C)C)C1 ZINC001307045080 1069780816 /nfs/dbraw/zinc/78/08/16/1069780816.db2.gz CUWURJXSEDZRNJ-IBGZPJMESA-N 1 0 459.708 3.649 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N(C)Cc3cnn(-c4ccccc4)n3)nnc2C(C)(C)C)CC1 ZINC001307046379 1069785460 /nfs/dbraw/zinc/78/54/60/1069785460.db2.gz KLCWJLYCARFVGB-UHFFFAOYSA-N 1 0 450.635 3.915 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(=O)OC)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001314198968 1069785888 /nfs/dbraw/zinc/78/58/88/1069785888.db2.gz QNEPHSJQNLQAQG-BHDDXSALSA-N 1 0 499.656 3.938 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C)c(Br)c3)n2CC2(O)CC2)CC1 ZINC001307046686 1069786173 /nfs/dbraw/zinc/78/61/73/1069786173.db2.gz ZFTSPOHYJBYXME-UHFFFAOYSA-N 1 0 462.436 3.852 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccccc3OCC)nnc2N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001307046855 1069786608 /nfs/dbraw/zinc/78/66/08/1069786608.db2.gz RZAMDIQKBWIGKL-ACRUOGEOSA-N 1 0 457.619 3.601 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001307046891 1069786771 /nfs/dbraw/zinc/78/67/71/1069786771.db2.gz SIVWJPHYDVVINN-YKSBVNFPSA-N 1 0 471.646 3.849 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001312219333 1069790415 /nfs/dbraw/zinc/79/04/15/1069790415.db2.gz PHAYHWWVJTTYBQ-QZTJIDSGSA-N 1 0 458.006 3.839 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCn2cc(C)cn2)cc1 ZINC001314200410 1069789457 /nfs/dbraw/zinc/78/94/57/1069789457.db2.gz RRQPSEQZYWKPAI-OAQYLSRUSA-N 1 0 467.618 3.552 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001307047544 1069789698 /nfs/dbraw/zinc/78/96/98/1069789698.db2.gz UZEUURVLSGTGRY-QFIPXVFZSA-N 1 0 484.714 3.963 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CCOCC2)C1 ZINC001307047701 1069790794 /nfs/dbraw/zinc/79/07/94/1069790794.db2.gz YQPKSPHFCLNDBD-YADHBBJMSA-N 1 0 490.693 3.945 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3C)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001307048769 1069794802 /nfs/dbraw/zinc/79/48/02/1069794802.db2.gz YNTGGJIXPJGDGD-UHFFFAOYSA-N 1 0 464.662 3.883 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC001307048102 1069792547 /nfs/dbraw/zinc/79/25/47/1069792547.db2.gz NBYQVEKJFLFXNU-OAQYLSRUSA-N 1 0 485.677 3.878 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@H](NC(C)=O)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001314201062 1069793850 /nfs/dbraw/zinc/79/38/50/1069793850.db2.gz MXGQIOSQHGHKAV-IRLDBZIGSA-N 1 0 498.672 3.796 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001307048930 1069795411 /nfs/dbraw/zinc/79/54/11/1069795411.db2.gz CJKVRBAHUFSXFK-UHFFFAOYSA-N 1 0 465.577 3.797 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001307049044 1069796024 /nfs/dbraw/zinc/79/60/24/1069796024.db2.gz HOXXQQHPLLVMCX-AVRDEDQJSA-N 1 0 486.636 3.783 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)CC)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC001307048996 1069796093 /nfs/dbraw/zinc/79/60/93/1069796093.db2.gz GJUWKDQOILTSAG-SFHVURJKSA-N 1 0 458.626 3.980 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(C)C)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 ZINC001307049164 1069796574 /nfs/dbraw/zinc/79/65/74/1069796574.db2.gz IROCJRJJESTIBU-QFIPXVFZSA-N 1 0 458.651 3.687 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2)CC1 ZINC001307050507 1069801026 /nfs/dbraw/zinc/80/10/26/1069801026.db2.gz XYPRLPCHWOHBLF-UHFFFAOYSA-N 1 0 468.005 3.938 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1Cc2cccc(Br)c2C1 ZINC001307050913 1069802461 /nfs/dbraw/zinc/80/24/61/1069802461.db2.gz HLRZISKHWZHXLF-SFHVURJKSA-N 1 0 489.462 3.964 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(OC)CCOC2)CC1 ZINC001307051100 1069803098 /nfs/dbraw/zinc/80/30/98/1069803098.db2.gz WZKGXKRLLOFODI-DFBJGRDBSA-N 1 0 475.609 3.673 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2ccc(N(C)C)nc2)cc1 ZINC001314202676 1069803705 /nfs/dbraw/zinc/80/37/05/1069803705.db2.gz YOSGWNXOXPYNOC-NRFANRHFSA-N 1 0 493.656 3.857 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001307051652 1069805230 /nfs/dbraw/zinc/80/52/30/1069805230.db2.gz RBQZNXZGMZPKOK-XZOQPEGZSA-N 1 0 468.646 3.649 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)N2CCCCC2)CC1 ZINC001307051826 1069806117 /nfs/dbraw/zinc/80/61/17/1069806117.db2.gz TYJQPLYVKSGDBO-ISKFKSNPSA-N 1 0 488.721 3.910 20 0 JHADRO CCCN(CCn1c(-c2cnccn2)nnc1N(C)C1CC[NH+](CCC)CC1)C(=O)OC(C)(C)C ZINC001307052150 1069806263 /nfs/dbraw/zinc/80/62/63/1069806263.db2.gz QZJVBIONSWYUAY-UHFFFAOYSA-N 1 0 486.665 3.693 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2CC(=O)Nc2c(C)cccc2C)CC1 ZINC001307051973 1069806404 /nfs/dbraw/zinc/80/64/04/1069806404.db2.gz VSQYNZWHTUWIKB-OAQYLSRUSA-N 1 0 454.619 3.696 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccccc3CC)n2Cc2snnc2C)CC1 ZINC001307052122 1069807435 /nfs/dbraw/zinc/80/74/35/1069807435.db2.gz ZEPVLRZDWHWWNY-UHFFFAOYSA-N 1 0 469.659 3.938 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOC(C)C)CC1 ZINC001307052252 1069807745 /nfs/dbraw/zinc/80/77/45/1069807745.db2.gz VDWLLNRRYLWVRV-UHFFFAOYSA-N 1 0 451.619 3.866 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC001307052441 1069808002 /nfs/dbraw/zinc/80/80/02/1069808002.db2.gz AOSWQNATSXYQJW-QHCPKHFHSA-N 1 0 482.673 3.566 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(F)c2)CC1 ZINC001307052837 1069809302 /nfs/dbraw/zinc/80/93/02/1069809302.db2.gz GIQVOOIDQZDLTJ-UHFFFAOYSA-N 1 0 470.618 3.768 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001307053676 1069813451 /nfs/dbraw/zinc/81/34/51/1069813451.db2.gz JHTZGOICQVXDIX-NRFANRHFSA-N 1 0 492.672 3.951 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)[C@@H](C)CC)CC1 ZINC001307052889 1069810490 /nfs/dbraw/zinc/81/04/90/1069810490.db2.gz IRDRFUDRAFQCDU-FNZWTVRRSA-N 1 0 467.662 3.624 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(C)(C)O)c2)CC1 ZINC001307053789 1069813739 /nfs/dbraw/zinc/81/37/39/1069813739.db2.gz CGMROEBXZGPKID-OAQYLSRUSA-N 1 0 455.647 3.758 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCCO3)n2Cc2cc(OC)ccc2OC)CC1 ZINC001307054129 1069814115 /nfs/dbraw/zinc/81/41/15/1069814115.db2.gz CYWSCQYTPZPPPI-HSZRJFAPSA-N 1 0 457.619 3.896 20 0 JHADRO C[C@H]1C[C@@H](NC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C[N@@H+]1Cc1ccccc1 ZINC001312256536 1069814775 /nfs/dbraw/zinc/81/47/75/1069814775.db2.gz VPHBCNIODQHKIA-JJCGOBCMSA-N 1 0 458.400 3.929 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2Cc2ccccc2OC(F)(F)F)CC1 ZINC001307054276 1069815193 /nfs/dbraw/zinc/81/51/93/1069815193.db2.gz WSZHVHNBZJYMCS-UHFFFAOYSA-N 1 0 494.562 3.658 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001307055978 1069823676 /nfs/dbraw/zinc/82/36/76/1069823676.db2.gz RZGQONOJWNCMEO-FGZHOGPDSA-N 1 0 498.672 3.531 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001307055011 1069819110 /nfs/dbraw/zinc/81/91/10/1069819110.db2.gz MWQPUBGAQZBOEU-SFTDATJTSA-N 1 0 455.603 3.608 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 ZINC001307054962 1069819158 /nfs/dbraw/zinc/81/91/58/1069819158.db2.gz HZFARLRVNZDIQV-UXHICEINSA-N 1 0 457.619 3.569 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001307055977 1069824070 /nfs/dbraw/zinc/82/40/70/1069824070.db2.gz RZGQONOJWNCMEO-FCHUYYIVSA-N 1 0 498.672 3.531 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001307056349 1069826050 /nfs/dbraw/zinc/82/60/50/1069826050.db2.gz DKNMWNIUNIAILK-PKTZIBPZSA-N 1 0 491.677 3.676 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001307056606 1069828537 /nfs/dbraw/zinc/82/85/37/1069828537.db2.gz UTDLQBOFKLOPEB-UXHICEINSA-N 1 0 489.462 3.687 20 0 JHADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC001312274031 1069829210 /nfs/dbraw/zinc/82/92/10/1069829210.db2.gz CRXASEBXZWOIFK-HUUCEWRRSA-N 1 0 450.381 3.837 20 0 JHADRO CCOc1ccccc1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001314210100 1069830496 /nfs/dbraw/zinc/83/04/96/1069830496.db2.gz KJEWFWMYWAZEIE-JOCHJYFZSA-N 1 0 496.700 3.960 20 0 JHADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)NC1(Cc2ccccc2Br)CC1 ZINC001312284002 1069837827 /nfs/dbraw/zinc/83/78/27/1069837827.db2.gz DTQSXVUKFRRQFH-UXHICEINSA-N 1 0 450.421 3.591 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](COC)C1 ZINC001307058254 1069837868 /nfs/dbraw/zinc/83/78/68/1069837868.db2.gz ZBEZTOYORQXZER-FPOVZHCZSA-N 1 0 457.619 3.700 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCOC3)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001307057644 1069835392 /nfs/dbraw/zinc/83/53/92/1069835392.db2.gz WMRVBMNQXWJVTH-IBGZPJMESA-N 1 0 474.650 3.834 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001307057920 1069836594 /nfs/dbraw/zinc/83/65/94/1069836594.db2.gz GSJCKEDPOYRAAB-HUBRWUETSA-N 1 0 480.682 3.902 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001307057898 1069837368 /nfs/dbraw/zinc/83/73/68/1069837368.db2.gz GMIRTUFSPLVYSU-TYPHKJRUSA-N 1 0 460.667 3.845 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001307058520 1069839712 /nfs/dbraw/zinc/83/97/12/1069839712.db2.gz NYLCIQOFGJPASY-OAQYLSRUSA-N 1 0 454.667 3.556 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001307058595 1069840484 /nfs/dbraw/zinc/84/04/84/1069840484.db2.gz OBJFQXMBHPUEFK-SFHVURJKSA-N 1 0 477.028 3.860 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001307059133 1069843381 /nfs/dbraw/zinc/84/33/81/1069843381.db2.gz QQRSAIVVWYNTRE-WIOPSUGQSA-N 1 0 495.716 3.906 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001307059222 1069843448 /nfs/dbraw/zinc/84/34/48/1069843448.db2.gz UQLTWXYYWPRCCM-RBUKOAKNSA-N 1 0 498.068 3.874 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001307060110 1069847421 /nfs/dbraw/zinc/84/74/21/1069847421.db2.gz ZYOHLQLLCYACHQ-HXUWFJFHSA-N 1 0 497.585 3.551 20 0 JHADRO COC(=O)c1ccc(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1OC ZINC001312299697 1069845900 /nfs/dbraw/zinc/84/59/00/1069845900.db2.gz LLEQHKUSRBVRDE-UHFFFAOYSA-N 1 0 451.567 3.680 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001307060108 1069847789 /nfs/dbraw/zinc/84/77/89/1069847789.db2.gz ZYOHLQLLCYACHQ-FQEVSTJZSA-N 1 0 497.585 3.551 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@H](OC)C(C)(C)C ZINC001314215244 1069846407 /nfs/dbraw/zinc/84/64/07/1069846407.db2.gz DDFSJAMJRFKDPO-ZRCGQRJVSA-N 1 0 471.646 3.990 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC001312303805 1069848667 /nfs/dbraw/zinc/84/86/67/1069848667.db2.gz MCALVOSBPHUWMA-ZCNNSNEGSA-N 1 0 450.421 3.870 20 0 JHADRO CCCN1CCCN(c2nnc([C@H](CC)c3ccccc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1=O ZINC001307060422 1069848597 /nfs/dbraw/zinc/84/85/97/1069848597.db2.gz JEWFRHCJUCAKNF-JTHBVZDNSA-N 1 0 452.647 3.753 20 0 JHADRO CCOc1ccccc1Cn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001314216596 1069849732 /nfs/dbraw/zinc/84/97/32/1069849732.db2.gz JHABIEVJPYCTMF-SANMLTNESA-N 1 0 471.646 3.688 20 0 JHADRO 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CO[C@@H](C)c1nc(CN2CCC[N@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC001307510154 1070025762 /nfs/dbraw/zinc/02/57/62/1070025762.db2.gz NTEKYBIIQCKQFA-JXFKEZNVSA-N 1 0 457.562 3.981 20 0 JHADRO Cn1ncc(I)c1CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001307523248 1070032686 /nfs/dbraw/zinc/03/26/86/1070032686.db2.gz KMULNDYMAKWMDO-MJGOQNOKSA-N 1 0 450.368 3.511 20 0 JHADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001307525637 1070033614 /nfs/dbraw/zinc/03/36/14/1070033614.db2.gz JVNSGUDIVILJCS-JOCHJYFZSA-N 1 0 459.594 3.960 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314276065 1070034316 /nfs/dbraw/zinc/03/43/16/1070034316.db2.gz QMDXQOMKFXQAGO-ZRCGQRJVSA-N 1 0 471.694 3.902 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001314277389 1070037019 /nfs/dbraw/zinc/03/70/19/1070037019.db2.gz SSHMEKFJCRYEBV-VJBWXMMDSA-N 1 0 457.619 3.837 20 0 JHADRO CCO[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)C(C)C)C1 ZINC001314280530 1070043717 /nfs/dbraw/zinc/04/37/17/1070043717.db2.gz AZTVSAUEFCYPJB-PMACEKPBSA-N 1 0 464.655 3.696 20 0 JHADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001312611374 1070044121 /nfs/dbraw/zinc/04/41/21/1070044121.db2.gz OCVPOTLFDRYUNA-LEWJYISDSA-N 1 0 458.400 3.631 20 0 JHADRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1(CC)CC ZINC001307550653 1070047342 /nfs/dbraw/zinc/04/73/42/1070047342.db2.gz HXNDYJWPONFFDW-MOPGFXCFSA-N 1 0 457.446 3.953 20 0 JHADRO COc1ccc([C@@H]2CN(C(=O)NC[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)CCO2)cc1OC ZINC001312615025 1070045991 /nfs/dbraw/zinc/04/59/91/1070045991.db2.gz LRGUVXIOPPSSEE-AZGAKELHSA-N 1 0 453.583 3.699 20 0 JHADRO C[C@]1(CNC(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001312615582 1070046121 /nfs/dbraw/zinc/04/61/21/1070046121.db2.gz PEUCAXFHVDBWFG-AREMUKBSSA-N 1 0 452.574 3.595 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)[C@@H](C)CC)C1 ZINC001314281203 1070046389 /nfs/dbraw/zinc/04/63/89/1070046389.db2.gz FUBCWEYYOWEIFC-UWHLTILDSA-N 1 0 478.682 3.784 20 0 JHADRO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312622297 1070048427 /nfs/dbraw/zinc/04/84/27/1070048427.db2.gz AWBZMSDSCOWORE-TVZXLZGTSA-N 1 0 456.631 3.987 20 0 JHADRO COCCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC001307555017 1070049622 /nfs/dbraw/zinc/04/96/22/1070049622.db2.gz KOMGUYCSTRUNOA-IFMALSPDSA-N 1 0 455.530 3.684 20 0 JHADRO CC(=O)N1CCC[C@H](CNC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001312626788 1070050103 /nfs/dbraw/zinc/05/01/03/1070050103.db2.gz QCUBGEGSJAFHLA-LJQANCHMSA-N 1 0 455.430 3.859 20 0 JHADRO O=C(NCc1ncnn1-c1ccccc1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001312629101 1070051901 /nfs/dbraw/zinc/05/19/01/1070051901.db2.gz GQVUBHRMKFQXQO-UHFFFAOYSA-N 1 0 458.488 3.704 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)CN1CCOc2cc(Br)c(Cl)cc21)c1ccccc1 ZINC001307564658 1070054338 /nfs/dbraw/zinc/05/43/38/1070054338.db2.gz NOLHQHJCWPYLFB-SFHVURJKSA-N 1 0 452.780 3.720 20 0 JHADRO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001307573724 1070060101 /nfs/dbraw/zinc/06/01/01/1070060101.db2.gz LYDXNWMOEWQUQF-CUSZFKRNSA-N 1 0 452.521 3.716 20 0 JHADRO CCOCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314286531 1070060224 /nfs/dbraw/zinc/06/02/24/1070060224.db2.gz MWOKCKZKOCOQOJ-PKTZIBPZSA-N 1 0 455.647 3.946 20 0 JHADRO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC001307574813 1070060472 /nfs/dbraw/zinc/06/04/72/1070060472.db2.gz RMQTUYXQTJZFPC-KRWDZBQOSA-N 1 0 459.974 3.622 20 0 JHADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@@H]2CCCC[C@@H]12 ZINC001307572663 1070059107 /nfs/dbraw/zinc/05/91/07/1070059107.db2.gz BBTDCDOTEDNRFC-QPOHIBMRSA-N 1 0 456.052 3.671 20 0 JHADRO CC(C)Oc1ccc(-c2cccc([C@H](C)[N@H+](C)CCNS(=O)(=O)c3cnn(C)c3)c2)cc1 ZINC001307584006 1070063837 /nfs/dbraw/zinc/06/38/37/1070063837.db2.gz OWLSSMYUGONOIY-IBGZPJMESA-N 1 0 456.612 3.846 20 0 JHADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@H](CO)c3cccc(Cl)c3Cl)cc2)CC1 ZINC001312672049 1070073495 /nfs/dbraw/zinc/07/34/95/1070073495.db2.gz QJHZSKATOQCZBU-HXUWFJFHSA-N 1 0 452.382 3.999 20 0 JHADRO CCOCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001314293852 1070076090 /nfs/dbraw/zinc/07/60/90/1070076090.db2.gz MVIWQDPSEIAIIZ-ZWDXQAFOSA-N 1 0 477.694 3.766 20 0 JHADRO CCOCc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CC[NH+]1CCCCC1 ZINC001314297039 1070080363 /nfs/dbraw/zinc/08/03/63/1070080363.db2.gz MZWTVWBMYGLBBW-WCRBZPEASA-N 1 0 476.666 3.667 20 0 JHADRO CCOCc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1CC[NH+]1CCC(C)CC1 ZINC001314296576 1070080380 /nfs/dbraw/zinc/08/03/80/1070080380.db2.gz BUEPVPFCVVCFKL-HXUWFJFHSA-N 1 0 470.618 3.701 20 0 JHADRO CCCC[C@H]([NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)c1ccc(OC)cc1 ZINC001307610933 1070080736 /nfs/dbraw/zinc/08/07/36/1070080736.db2.gz NHXUSIZQHAEADE-VWLOTQADSA-N 1 0 451.611 3.795 20 0 JHADRO CCCC[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)c1ccc(OC)cc1 ZINC001307610932 1070081131 /nfs/dbraw/zinc/08/11/31/1070081131.db2.gz NHXUSIZQHAEADE-RUZDIDTESA-N 1 0 451.611 3.795 20 0 JHADRO COCC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001312684037 1070081216 /nfs/dbraw/zinc/08/12/16/1070081216.db2.gz YAQNGENTCYIWEW-WIYYLYMNSA-N 1 0 457.446 3.881 20 0 JHADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1Br ZINC001307622122 1070084444 /nfs/dbraw/zinc/08/44/44/1070084444.db2.gz XBTANEAHZWOVIP-NSHDSACASA-N 1 0 454.752 3.889 20 0 JHADRO CCOCc1nnc(N(C)CC(=O)Nc2cccc(C)c2C)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001314299791 1070083759 /nfs/dbraw/zinc/08/37/59/1070083759.db2.gz XHYPZXIGUNXRQQ-NRFANRHFSA-N 1 0 454.619 3.523 20 0 JHADRO CCOCc1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001314300914 1070084050 /nfs/dbraw/zinc/08/40/50/1070084050.db2.gz DZSSHTPDQQVTJD-UHFFFAOYSA-N 1 0 465.646 3.714 20 0 JHADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H](CC(C)C)c3ccccc3)CC2)cc1C ZINC001307622144 1070085007 /nfs/dbraw/zinc/08/50/07/1070085007.db2.gz XIFWKIRNROOIED-XMMPIXPASA-N 1 0 457.640 3.513 20 0 JHADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC001307622588 1070085410 /nfs/dbraw/zinc/08/54/10/1070085410.db2.gz FCDJTDUBXQJGTE-LRAJWGHMSA-N 1 0 456.377 3.745 20 0 JHADRO CCN(CCc1ccccc1)C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001312697360 1070085731 /nfs/dbraw/zinc/08/57/31/1070085731.db2.gz JSRWNHKYAFLIEB-UHFFFAOYSA-N 1 0 450.627 3.632 20 0 JHADRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)ccc1OCc1ccccc1 ZINC001307632572 1070091401 /nfs/dbraw/zinc/09/14/01/1070091401.db2.gz RCMKHSYPGIKBBA-GHTZIAJQSA-N 1 0 454.567 3.867 20 0 JHADRO CCOCc1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314306651 1070094083 /nfs/dbraw/zinc/09/40/83/1070094083.db2.gz QMEFJBUSDQGGDR-WOJBJXKFSA-N 1 0 471.646 3.979 20 0 JHADRO CCOCc1nnc(N(C)Cc2cccc(Br)c2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001314306725 1070094236 /nfs/dbraw/zinc/09/42/36/1070094236.db2.gz ROJVIROHGBVBJX-QGZVFWFLSA-N 1 0 450.425 3.945 20 0 JHADRO Cc1cccc([C@H](C)[NH2+]CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1C ZINC001307638166 1070094496 /nfs/dbraw/zinc/09/44/96/1070094496.db2.gz XTZORLGSNSDSDP-WBRURWICSA-N 1 0 455.555 3.946 20 0 JHADRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 ZINC001307639779 1070095580 /nfs/dbraw/zinc/09/55/80/1070095580.db2.gz KCQQJPZGBKEJQQ-AREMUKBSSA-N 1 0 450.627 3.977 20 0 JHADRO CCOCc1nnc(N(C)Cc2ccccc2N2CCOCC2)n1CC1([NH+](C)C)CCCCC1 ZINC001314307848 1070095588 /nfs/dbraw/zinc/09/55/88/1070095588.db2.gz YHXNRGUZQNZVLT-UHFFFAOYSA-N 1 0 470.662 3.552 20 0 JHADRO C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC001307640819 1070095960 /nfs/dbraw/zinc/09/59/60/1070095960.db2.gz WISSTBWCRZMPPG-KRWDZBQOSA-N 1 0 454.596 3.863 20 0 JHADRO Nc1ccc(F)c(NC(=O)CC[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001307640469 1070096328 /nfs/dbraw/zinc/09/63/28/1070096328.db2.gz OKTGSCPPXBKFFE-UHFFFAOYSA-N 1 0 455.452 3.705 20 0 JHADRO COC(=O)C1(NC(=O)C[NH2+][C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CCCCC1 ZINC001307640055 1070096391 /nfs/dbraw/zinc/09/63/91/1070096391.db2.gz LNBMVDMHDTUQAU-QHCPKHFHSA-N 1 0 454.567 3.569 20 0 JHADRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1 ZINC001307641954 1070097030 /nfs/dbraw/zinc/09/70/30/1070097030.db2.gz ZXSGMKWRNSFFPW-UIOOFZCWSA-N 1 0 451.611 3.720 20 0 JHADRO C[C@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001307642476 1070097611 /nfs/dbraw/zinc/09/76/11/1070097611.db2.gz JERUYZPSTMWIEO-HOTGVXAUSA-N 1 0 452.020 3.873 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314312663 1070099514 /nfs/dbraw/zinc/09/95/14/1070099514.db2.gz STBFJGTUNWJDPZ-PWWKTKHKSA-N 1 0 473.687 3.856 20 0 JHADRO CSc1ccc([C@@H](CNC(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001312753783 1070104265 /nfs/dbraw/zinc/10/42/65/1070104265.db2.gz OOBNUOOMFVOCCY-GUDVDZBRSA-N 1 0 454.612 3.658 20 0 JHADRO CSc1ccc([C@@H](CNC(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001312755578 1070106000 /nfs/dbraw/zinc/10/60/00/1070106000.db2.gz QFEMUKWUFQIZGL-FXAWDEMLSA-N 1 0 450.649 3.910 20 0 JHADRO C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1=O ZINC001312758011 1070107797 /nfs/dbraw/zinc/10/77/97/1070107797.db2.gz RCWWTEUXJBGHJM-MBSDFSHPSA-N 1 0 458.553 3.790 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001314324005 1070109649 /nfs/dbraw/zinc/10/96/49/1070109649.db2.gz ARWZCBSFXDMKIV-OAQYLSRUSA-N 1 0 488.702 3.796 20 0 JHADRO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001307664232 1070110339 /nfs/dbraw/zinc/11/03/39/1070110339.db2.gz RUWMPVZXSRTOMB-NSHDSACASA-N 1 0 451.390 3.862 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314324028 1070110337 /nfs/dbraw/zinc/11/03/37/1070110337.db2.gz BLNHACAABJFUCE-IIBYNOLFSA-N 1 0 459.557 3.673 20 0 JHADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001307668676 1070112928 /nfs/dbraw/zinc/11/29/28/1070112928.db2.gz FGNYYBICFUMCJV-CEXWTWQISA-N 1 0 458.603 3.766 20 0 JHADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 ZINC001307671736 1070115394 /nfs/dbraw/zinc/11/53/94/1070115394.db2.gz GMVVCMOSTOSMME-QHCPKHFHSA-N 1 0 452.555 3.957 20 0 JHADRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC001307671819 1070115617 /nfs/dbraw/zinc/11/56/17/1070115617.db2.gz HPIFMVSFQQILHA-YADARESESA-N 1 0 451.596 3.905 20 0 JHADRO CS(=O)(=O)c1ccc(OCC[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 ZINC001307672346 1070116132 /nfs/dbraw/zinc/11/61/32/1070116132.db2.gz MQJMWXSIAOJACJ-QHCPKHFHSA-N 1 0 453.539 3.989 20 0 JHADRO CCOCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCc1ccc(OC)c(Br)c1 ZINC001314329207 1070120208 /nfs/dbraw/zinc/12/02/08/1070120208.db2.gz WJVPWWGIBCBKJO-WMZOPIPTSA-N 1 0 478.435 3.501 20 0 JHADRO CCOCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001314330138 1070121584 /nfs/dbraw/zinc/12/15/84/1070121584.db2.gz ZEMNBSXUWZAQDK-FUHWJXTLSA-N 1 0 464.010 3.597 20 0 JHADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@](C)(c1ccc(Br)cc1)C(C)C ZINC001307686049 1070124772 /nfs/dbraw/zinc/12/47/72/1070124772.db2.gz ZZSVUDRYKBCPMB-FQEVSTJZSA-N 1 0 456.450 3.968 20 0 JHADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001312791656 1070122454 /nfs/dbraw/zinc/12/24/54/1070122454.db2.gz ZIXPDKKVUBEYOG-IBGZPJMESA-N 1 0 456.052 3.801 20 0 JHADRO C[N@H+](C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CC1(O)CCOCC1 ZINC001307683644 1070123762 /nfs/dbraw/zinc/12/37/62/1070123762.db2.gz DUQXBIGGOZCWQM-OAQYLSRUSA-N 1 0 454.394 3.934 20 0 JHADRO CCOCc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001314334501 1070128830 /nfs/dbraw/zinc/12/88/30/1070128830.db2.gz QAMSJXFORLTPPJ-FDDCHVKYSA-N 1 0 462.038 3.902 20 0 JHADRO O=C(CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001307690023 1070127304 /nfs/dbraw/zinc/12/73/04/1070127304.db2.gz GCJRAGKFPYLKFJ-XUZZJYLKSA-N 1 0 455.624 3.801 20 0 JHADRO CCOCc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001314337069 1070131629 /nfs/dbraw/zinc/13/16/29/1070131629.db2.gz SPSHQCKGQHNJAO-BDTNDASRSA-N 1 0 492.709 3.922 20 0 JHADRO O=C1[C@H]([N@@H+](Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)CCN1CC(F)(F)F ZINC001307698279 1070134063 /nfs/dbraw/zinc/13/40/63/1070134063.db2.gz CHQIGRGPDRCEGQ-MOPGFXCFSA-N 1 0 458.427 3.987 20 0 JHADRO O=C(C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1)NC1CCC2(CC1)OCCO2 ZINC001307705900 1070136811 /nfs/dbraw/zinc/13/68/11/1070136811.db2.gz ULDZHMSDIRBCRW-LJQANCHMSA-N 1 0 455.368 3.821 20 0 JHADRO O=C(C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1)NC1CCC2(CC1)OCCO2 ZINC001307705899 1070136878 /nfs/dbraw/zinc/13/68/78/1070136878.db2.gz ULDZHMSDIRBCRW-IBGZPJMESA-N 1 0 455.368 3.821 20 0 JHADRO C[C@@H]1[C@H](NC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001312815777 1070139563 /nfs/dbraw/zinc/13/95/63/1070139563.db2.gz NZXMEMBMJDEPOC-AUSIDOKSSA-N 1 0 455.002 3.861 20 0 JHADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001307711830 1070139708 /nfs/dbraw/zinc/13/97/08/1070139708.db2.gz YSPCUTXOPOXLLB-PGRDOPGGSA-N 1 0 459.505 3.743 20 0 JHADRO CCOC(=O)N1CCC([C@H](C)[NH2+]CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)CC1 ZINC001307711387 1070139753 /nfs/dbraw/zinc/13/97/53/1070139753.db2.gz ZYXKSUJDTZCHBR-INIZCTEOSA-N 1 0 456.612 3.854 20 0 JHADRO Cc1occc1C(=O)NC1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001312820856 1070142255 /nfs/dbraw/zinc/14/22/55/1070142255.db2.gz GGGUSBXIJMNZAE-QFIPXVFZSA-N 1 0 452.599 3.794 20 0 JHADRO O=C(NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001312824028 1070143610 /nfs/dbraw/zinc/14/36/10/1070143610.db2.gz RDGLJJOQIKNFSW-HJOGWXRNSA-N 1 0 458.002 3.839 20 0 JHADRO CCN1C(=S)N=NC1CCNC(=O)N1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001312834943 1070146409 /nfs/dbraw/zinc/14/64/09/1070146409.db2.gz AKTZPRJVCNWUNL-NRFANRHFSA-N 1 0 458.676 3.504 20 0 JHADRO CCOCc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314344367 1070148911 /nfs/dbraw/zinc/14/89/11/1070148911.db2.gz WKPIIKGJNYVOSL-UXHICEINSA-N 1 0 478.682 3.771 20 0 JHADRO O=C(NC[C@H](CO)Cc1ccco1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312841072 1070149937 /nfs/dbraw/zinc/14/99/37/1070149937.db2.gz YTGWYGMOUCWSSZ-DCEDVJGZSA-N 1 0 451.542 3.537 20 0 JHADRO CCOCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCOc1ccc(Cl)cc1 ZINC001314345492 1070151380 /nfs/dbraw/zinc/15/13/80/1070151380.db2.gz AAQUFLFDXZEGME-UHFFFAOYSA-N 1 0 491.080 3.542 20 0 JHADRO CCOCc1nnc(N2CCC(N3CCc4ccccc43)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001314345174 1070150402 /nfs/dbraw/zinc/15/04/02/1070150402.db2.gz JKXGIFKQTNGTAU-HSZRJFAPSA-N 1 0 454.663 3.822 20 0 JHADRO CCOCc1nnc(N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001314346988 1070152910 /nfs/dbraw/zinc/15/29/10/1070152910.db2.gz VCWGTBURRHTALL-LJQANCHMSA-N 1 0 464.655 3.525 20 0 JHADRO CCOCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314348114 1070156665 /nfs/dbraw/zinc/15/66/65/1070156665.db2.gz CJWGIUMITZSFAD-RTWAWAEBSA-N 1 0 456.635 3.686 20 0 JHADRO O=C(NC1CN(C(=O)OCc2ccccc2)C1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001312850477 1070155142 /nfs/dbraw/zinc/15/51/42/1070155142.db2.gz ILZFDQHCSLYELL-HSZRJFAPSA-N 1 0 450.583 3.751 20 0 JHADRO CCOCc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001314348754 1070160681 /nfs/dbraw/zinc/16/06/81/1070160681.db2.gz GNHPICAHAJFYLD-VWLOTQADSA-N 1 0 459.610 3.564 20 0 JHADRO CCOCc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001314348381 1070158287 /nfs/dbraw/zinc/15/82/87/1070158287.db2.gz BAYWHGQFHUPYAE-UHFFFAOYSA-N 1 0 487.624 3.620 20 0 JHADRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)[C@@H](C)[C@@H]1OC ZINC001307746860 1070164085 /nfs/dbraw/zinc/16/40/85/1070164085.db2.gz VNOOQLKSRBXURZ-LPTQZCDUSA-N 1 0 457.537 3.910 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC001312884388 1070166408 /nfs/dbraw/zinc/16/64/08/1070166408.db2.gz GAVGGTCDUQOAKF-QLBJFCOMSA-N 1 0 453.627 3.854 20 0 JHADRO CCOCc1nnc(N2CCC(Oc3ncccc3F)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314351285 1070170309 /nfs/dbraw/zinc/17/03/09/1070170309.db2.gz BMOAAFTZVDUPFE-OALUTQOASA-N 1 0 460.598 3.517 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@H+](CC(=O)NCCCOC3CCCCC3)C2)C1 ZINC001307773096 1070177776 /nfs/dbraw/zinc/17/77/76/1070177776.db2.gz KMSJDGFPMDBBJZ-SFTDATJTSA-N 1 0 451.652 3.811 20 0 JHADRO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(=O)OCC)C[C@H](C)CC2 ZINC001307771050 1070176997 /nfs/dbraw/zinc/17/69/97/1070176997.db2.gz XVUMHMGZURCJFB-INMHGKMJSA-N 1 0 450.601 3.700 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@H+](CCCON3C(=O)c4ccccc4C3=O)C2)C1 ZINC001307772859 1070177092 /nfs/dbraw/zinc/17/70/92/1070177092.db2.gz JLMJYMSGFYTVMO-RBUKOAKNSA-N 1 0 457.571 3.573 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001314357772 1070179861 /nfs/dbraw/zinc/17/98/61/1070179861.db2.gz RTAYEUABEZJUMJ-NRFANRHFSA-N 1 0 459.610 3.989 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001314359411 1070182103 /nfs/dbraw/zinc/18/21/03/1070182103.db2.gz BWLISTKXMDSWCQ-GOSISDBHSA-N 1 0 490.052 3.593 20 0 JHADRO C[C@H](NC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312925310 1070183506 /nfs/dbraw/zinc/18/35/06/1070183506.db2.gz ICCWDLWZIHWQSS-LWYYNNOASA-N 1 0 451.652 3.664 20 0 JHADRO C[C@H]1CN(C(=O)CN(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001307796733 1070186145 /nfs/dbraw/zinc/18/61/45/1070186145.db2.gz QCTPUTRZFTWXRN-WIOPSUGQSA-N 1 0 450.627 3.574 20 0 JHADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001307803484 1070190478 /nfs/dbraw/zinc/19/04/78/1070190478.db2.gz JOMCTQCNWGKNKP-UYRXBGFRSA-N 1 0 458.502 3.745 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001314364110 1070191209 /nfs/dbraw/zinc/19/12/09/1070191209.db2.gz ITSHAWNVWAOREN-HSZRJFAPSA-N 1 0 465.646 3.821 20 0 JHADRO CC1CCN(Cc2csc(NC(=O)CN3CCC[C@](CO)(Cc4ccccc4)C3)n2)CC1 ZINC001307805103 1070191348 /nfs/dbraw/zinc/19/13/48/1070191348.db2.gz TYASYPSSIBQXLP-VWLOTQADSA-N 1 0 456.656 3.631 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314364281 1070191963 /nfs/dbraw/zinc/19/19/63/1070191963.db2.gz GZIGCEGQIPCYDE-FQEVSTJZSA-N 1 0 478.682 3.678 20 0 JHADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001307810272 1070193303 /nfs/dbraw/zinc/19/33/03/1070193303.db2.gz ASZHSDQWHABYQP-OPAMFIHVSA-N 1 0 454.464 3.829 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CC[C@@H](OC)C(F)(F)F ZINC001314365364 1070195078 /nfs/dbraw/zinc/19/50/78/1070195078.db2.gz MFYKLSYQIWUYHF-IPMKNSEASA-N 1 0 461.573 3.873 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)C[C@@H]1c1ccccc1 ZINC001307820284 1070200200 /nfs/dbraw/zinc/20/02/00/1070200200.db2.gz QQLAVTCQOUWGGH-CYXNTTPDSA-N 1 0 478.614 3.903 20 0 JHADRO CCN1C[C@H](CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)[NH+](C)C)CC1=O ZINC001312967850 1070203891 /nfs/dbraw/zinc/20/38/91/1070203891.db2.gz YBSOJMPBTMCADJ-PXNSSMCTSA-N 1 0 457.446 3.960 20 0 JHADRO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)CCC2 ZINC001307837000 1070205676 /nfs/dbraw/zinc/20/56/76/1070205676.db2.gz QJSPIBYSNOBHOU-DLBZAZTESA-N 1 0 481.540 3.582 20 0 JHADRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc1OC ZINC001307836929 1070205711 /nfs/dbraw/zinc/20/57/11/1070205711.db2.gz NENPSHDGFMTXQW-JRGCBEDISA-N 1 0 479.543 3.809 20 0 JHADRO C[C@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC[N@@H+](C2CC2)C1 ZINC001312987923 1070209092 /nfs/dbraw/zinc/20/90/92/1070209092.db2.gz KXKPMJAXDGPRRM-UEVCKROQSA-N 1 0 456.631 3.905 20 0 JHADRO CCN(C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001312989233 1070211993 /nfs/dbraw/zinc/21/19/93/1070211993.db2.gz XBXCIGBLIDJDRV-WPYKKVEZSA-N 1 0 450.583 3.668 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC001307862353 1070215539 /nfs/dbraw/zinc/21/55/39/1070215539.db2.gz FGOWDYWOPHCKTJ-NHCUHLMSSA-N 1 0 462.635 3.707 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307862746 1070215807 /nfs/dbraw/zinc/21/58/07/1070215807.db2.gz JBKZXEHPHYNOOD-NHCUHLMSSA-N 1 0 458.603 3.723 20 0 JHADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC001307880526 1070221712 /nfs/dbraw/zinc/22/17/12/1070221712.db2.gz DUSWLMZLDWOPEL-OAQYLSRUSA-N 1 0 453.421 3.942 20 0 JHADRO COC(=O)[C@]1(NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCC[N@H+](Cc2ccccc2)C1 ZINC001307888543 1070226826 /nfs/dbraw/zinc/22/68/26/1070226826.db2.gz XXRAKQMRCHMCQY-NVQXNPDNSA-N 1 0 459.631 3.821 20 0 JHADRO COC(=O)[C@]1(NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCC[N@H+](Cc2ccccc2)C1 ZINC001307888542 1070226914 /nfs/dbraw/zinc/22/69/14/1070226914.db2.gz XXRAKQMRCHMCQY-GJZUVCINSA-N 1 0 459.631 3.821 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314384821 1070229898 /nfs/dbraw/zinc/22/98/98/1070229898.db2.gz HYWHKJRPBJXTPK-IBGZPJMESA-N 1 0 464.655 3.525 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCc1cc(Br)ccc1F ZINC001314384881 1070229919 /nfs/dbraw/zinc/22/99/19/1070229919.db2.gz KMVRAWDQNXXZPK-UHFFFAOYSA-N 1 0 468.415 3.879 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314386303 1070233032 /nfs/dbraw/zinc/23/30/32/1070233032.db2.gz YGNDHFNWQJSODH-MJGOQNOKSA-N 1 0 478.663 3.625 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314386251 1070232428 /nfs/dbraw/zinc/23/24/28/1070232428.db2.gz WQQBLVUMLPXZLW-FQEVSTJZSA-N 1 0 478.682 3.915 20 0 JHADRO O=C(N[C@@H]1CCCCc2cc(Br)ccc21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001313044628 1070233531 /nfs/dbraw/zinc/23/35/31/1070233531.db2.gz JWKKMPCZVKBRFR-OAQYLSRUSA-N 1 0 450.421 3.970 20 0 JHADRO CCOCc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001314387863 1070236988 /nfs/dbraw/zinc/23/69/88/1070236988.db2.gz FJDFNSUFGHIDDJ-PZJWPPBQSA-N 1 0 480.579 3.725 20 0 JHADRO COc1ccc(CNC(=O)CC[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(OC)c1 ZINC001307915290 1070238173 /nfs/dbraw/zinc/23/81/73/1070238173.db2.gz RDQIEFAHTYNHNG-UHFFFAOYSA-N 1 0 452.382 3.839 20 0 JHADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)o1 ZINC001307919073 1070240748 /nfs/dbraw/zinc/24/07/48/1070240748.db2.gz OEGPVBNZXMMEPE-WOJBJXKFSA-N 1 0 481.590 3.552 20 0 JHADRO CC(C)(C)OC(=O)N1CCc2c(C[N@@H+]3C[C@H]4COC[C@@]4(C(=O)OC(C)(C)C)C3)cccc2C1 ZINC001307918593 1070240870 /nfs/dbraw/zinc/24/08/70/1070240870.db2.gz ZSKLWGAONZOMSS-FNZWTVRRSA-N 1 0 458.599 3.770 20 0 JHADRO O=C1[C@H]2C[N@@H+](CCCCOc3ccc(Br)cc3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001307928851 1070247200 /nfs/dbraw/zinc/24/72/00/1070247200.db2.gz HEHVQEBCKILPGB-OYRHEFFESA-N 1 0 457.368 3.725 20 0 JHADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001307929469 1070247274 /nfs/dbraw/zinc/24/72/74/1070247274.db2.gz WSJGUONPGNBOSA-GHTZIAJQSA-N 1 0 454.792 3.660 20 0 JHADRO O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)N[C@H](CCO)c1ccccc1Br ZINC001313083402 1070245074 /nfs/dbraw/zinc/24/50/74/1070245074.db2.gz ACQKLXDDPNPDGW-OAQYLSRUSA-N 1 0 455.356 3.933 20 0 JHADRO CCOCc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314392917 1070250461 /nfs/dbraw/zinc/25/04/61/1070250461.db2.gz XGXMYUBINUQFHZ-HSZRJFAPSA-N 1 0 484.693 3.565 20 0 JHADRO CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC001307949093 1070254912 /nfs/dbraw/zinc/25/49/12/1070254912.db2.gz OSNIMZHIACVXCR-INFCHFPZSA-N 1 0 471.623 3.892 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001314398597 1070259029 /nfs/dbraw/zinc/25/90/29/1070259029.db2.gz JTDHXXHKDOWZFK-HSZRJFAPSA-N 1 0 498.672 3.539 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@@H](O)Cc2cccc(F)c2)cc1 ZINC001313133272 1070262942 /nfs/dbraw/zinc/26/29/42/1070262942.db2.gz PZGCJTMFYSPDDX-DOEKTCAHSA-N 1 0 477.580 3.705 20 0 JHADRO CCOCc1nnc(N2CCN(Cc3cc(F)ccc3OC)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314399916 1070261191 /nfs/dbraw/zinc/26/11/91/1070261191.db2.gz IJRIUJNULRZEKT-UHFFFAOYSA-N 1 0 488.652 3.549 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@H]2CCCN2CC(F)F)cc1 ZINC001313133630 1070263762 /nfs/dbraw/zinc/26/37/62/1070263762.db2.gz UITFYEDEBGEIQZ-YFNKSVMNSA-N 1 0 472.580 3.692 20 0 JHADRO CCOC(=O)C[C@H]1CCCN1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001313133964 1070263962 /nfs/dbraw/zinc/26/39/62/1070263962.db2.gz XCPSVZDPKZWHKN-PZUNEJSGSA-N 1 0 465.594 3.790 20 0 JHADRO Cc1cccc(C[C@@]2(C)CCC[N@@H+]2CC(=O)NCC(=O)Nc2ccccc2Br)c1 ZINC001307972001 1070264146 /nfs/dbraw/zinc/26/41/46/1070264146.db2.gz HPVUZKRIAJWNEI-HSZRJFAPSA-N 1 0 458.400 3.909 20 0 JHADRO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)c1 ZINC001307976140 1070265549 /nfs/dbraw/zinc/26/55/49/1070265549.db2.gz QCSIQFSHERLKQC-RUZDIDTESA-N 1 0 457.574 3.775 20 0 JHADRO CCOCc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001314406128 1070269610 /nfs/dbraw/zinc/26/96/10/1070269610.db2.gz RPYXJGUAJTYBIA-RUZDIDTESA-N 1 0 456.635 3.808 20 0 JHADRO C[C@]1(c2ccc(C(F)(F)F)cc2)CCC[N@@H+]1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001308007813 1070276812 /nfs/dbraw/zinc/27/68/12/1070276812.db2.gz XJPXZEWPXGZEDH-HSZRJFAPSA-N 1 0 451.533 3.877 20 0 JHADRO Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CCCC[C@@H]3CCC(=O)OC(C)(C)C)C2)cc1 ZINC001313169996 1070278992 /nfs/dbraw/zinc/27/89/92/1070278992.db2.gz PQOPSSZSORWSHE-PKTZIBPZSA-N 1 0 459.631 3.882 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001314417024 1070283148 /nfs/dbraw/zinc/28/31/48/1070283148.db2.gz IVYVIDJEHIAHBY-LEWJYISDSA-N 1 0 468.646 3.883 20 0 JHADRO COc1ccccc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC001308026990 1070284821 /nfs/dbraw/zinc/28/48/21/1070284821.db2.gz MVEVEOFZJYQKRV-ROUUACIJSA-N 1 0 453.539 3.773 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC001314417699 1070285131 /nfs/dbraw/zinc/28/51/31/1070285131.db2.gz LMLXIBVKWQCIOU-HSZRJFAPSA-N 1 0 455.647 3.659 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001313177900 1070282959 /nfs/dbraw/zinc/28/29/59/1070282959.db2.gz BHHVCRCQTBRVEK-HSWWXKJFSA-N 1 0 455.624 3.684 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001314418794 1070288100 /nfs/dbraw/zinc/28/81/00/1070288100.db2.gz DMFHDORUWREPKH-NJDAHSKKSA-N 1 0 455.651 3.745 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001314419829 1070290321 /nfs/dbraw/zinc/29/03/21/1070290321.db2.gz NQSVXBVFXXAAQZ-KBMIEXCESA-N 1 0 489.686 3.653 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3cccn3C)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001314420158 1070291485 /nfs/dbraw/zinc/29/14/85/1070291485.db2.gz JSCLMSLVUVLYCX-NRFANRHFSA-N 1 0 454.594 3.808 20 0 JHADRO CC(C)(C)OC(=O)N1CC(O)(C[N@@H+](Cc2ccccc2)C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC001308047428 1070291496 /nfs/dbraw/zinc/29/14/96/1070291496.db2.gz CJYHUIQPAUHBCI-MOPGFXCFSA-N 1 0 458.521 3.970 20 0 JHADRO CC(C)(C)OC(=O)N1CC(O)(C[N@H+](CCN2CCCc3ccccc32)Cc2ccccc2)C1 ZINC001308047677 1070291577 /nfs/dbraw/zinc/29/15/77/1070291577.db2.gz FYJWZHFODGUVTP-UHFFFAOYSA-N 1 0 451.611 3.923 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314421563 1070293991 /nfs/dbraw/zinc/29/39/91/1070293991.db2.gz VCSLFCRGHNTAGW-ZCNNSNEGSA-N 1 0 477.053 3.746 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001314421766 1070294998 /nfs/dbraw/zinc/29/49/98/1070294998.db2.gz PTKWOECNNLSXHU-XXBNENTESA-N 1 0 452.603 3.838 20 0 JHADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](Cc1sc(C)nc1C(F)(F)F)C2 ZINC001308077385 1070304238 /nfs/dbraw/zinc/30/42/38/1070304238.db2.gz JWGIPQOGQIEITE-QHRIQVFBSA-N 1 0 463.522 3.749 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314426845 1070305188 /nfs/dbraw/zinc/30/51/88/1070305188.db2.gz PZOKVWIEIIHKOD-GGAORHGYSA-N 1 0 457.667 3.657 20 0 JHADRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H]([C@@H]2CCCO2)C1 ZINC001308100647 1070311246 /nfs/dbraw/zinc/31/12/46/1070311246.db2.gz IFAFAFHVSCOGCH-MDAIXWLXSA-N 1 0 456.608 3.776 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314428194 1070308823 /nfs/dbraw/zinc/30/88/23/1070308823.db2.gz FAXPCTDFKATIBF-CTNGQTDRSA-N 1 0 492.064 3.827 20 0 JHADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2CCc3c2cccc3C(F)(F)F)CC1 ZINC001313278967 1070314256 /nfs/dbraw/zinc/31/42/56/1070314256.db2.gz BFFCGHYFQRLCRR-UHFFFAOYSA-N 1 0 456.509 3.767 20 0 JHADRO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001308107360 1070314189 /nfs/dbraw/zinc/31/41/89/1070314189.db2.gz NLTDYVJQBRYTTP-SFHVURJKSA-N 1 0 456.587 3.987 20 0 JHADRO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC001308117641 1070319137 /nfs/dbraw/zinc/31/91/37/1070319137.db2.gz XZPFHQBAPPEOOE-FPOVZHCZSA-N 1 0 453.668 3.961 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@H+](C)C(C)C)C1 ZINC001314435346 1070321128 /nfs/dbraw/zinc/32/11/28/1070321128.db2.gz JSONHRKHBKTORT-KRWDZBQOSA-N 1 0 450.425 3.911 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@H+](C)C(C)C)C1 ZINC001314435347 1070321541 /nfs/dbraw/zinc/32/15/41/1070321541.db2.gz JSONHRKHBKTORT-QGZVFWFLSA-N 1 0 450.425 3.911 20 0 JHADRO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308124001 1070322315 /nfs/dbraw/zinc/32/23/15/1070322315.db2.gz GRTKYSSMFLHZJC-CEXWTWQISA-N 1 0 458.603 3.623 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314436703 1070324093 /nfs/dbraw/zinc/32/40/93/1070324093.db2.gz OQSCXWASRHTOBP-RZUBCFFCSA-N 1 0 473.637 3.759 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314437254 1070324953 /nfs/dbraw/zinc/32/49/53/1070324953.db2.gz VRAFNPKMPRYIFX-QZTJIDSGSA-N 1 0 479.467 3.641 20 0 JHADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001308139454 1070325600 /nfs/dbraw/zinc/32/56/00/1070325600.db2.gz KVMIOFNSXQCXBM-JKSUJKDBSA-N 1 0 452.780 3.722 20 0 JHADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)[C@@H](C)C1 ZINC001313335098 1070329986 /nfs/dbraw/zinc/32/99/86/1070329986.db2.gz BNNZIPFMCVGRIM-QOAPGFADSA-N 1 0 458.647 3.983 20 0 JHADRO CCC[C@@](C)([NH2+]CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1ccccc1 ZINC001308155345 1070331378 /nfs/dbraw/zinc/33/13/78/1070331378.db2.gz YFBMTWFDHLOIIR-NAENUDGNSA-N 1 0 452.580 3.539 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001314444085 1070336986 /nfs/dbraw/zinc/33/69/86/1070336986.db2.gz XBLINMQUOZFZLT-HBMCJLEFSA-N 1 0 476.666 3.555 20 0 JHADRO Fc1cc(Br)c(I)cc1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001308205029 1070340593 /nfs/dbraw/zinc/34/05/93/1070340593.db2.gz MMNNWOADWWPGIH-HUUCEWRRSA-N 1 0 453.137 3.909 20 0 JHADRO CCC[C@H]1CN(C(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001313385894 1070343351 /nfs/dbraw/zinc/34/33/51/1070343351.db2.gz KNKFOZXEOGQGSN-NFJKTXFASA-N 1 0 459.656 3.900 20 0 JHADRO O=C(CC[NH2+]Cc1c(Cl)cccc1Oc1ccccc1)N1CCN(c2ncccn2)CC1 ZINC001308241948 1070345055 /nfs/dbraw/zinc/34/50/55/1070345055.db2.gz CWMVZNULPIJZRN-UHFFFAOYSA-N 1 0 451.958 3.751 20 0 JHADRO O=C(N[C@@H]1CCCN(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)C1)c1ccccc1 ZINC001313396706 1070347631 /nfs/dbraw/zinc/34/76/31/1070347631.db2.gz LHOZWJPZQGBART-RUZDIDTESA-N 1 0 456.590 3.970 20 0 JHADRO O=C(N[C@H]1CCCN(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)C1)c1ccccc1 ZINC001313396707 1070348068 /nfs/dbraw/zinc/34/80/68/1070348068.db2.gz LHOZWJPZQGBART-VWLOTQADSA-N 1 0 456.590 3.970 20 0 JHADRO CSC[C@H](CCO)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC001308276127 1070349730 /nfs/dbraw/zinc/34/97/30/1070349730.db2.gz MGATWTVXWVVNNT-QFIPXVFZSA-N 1 0 453.608 3.963 20 0 JHADRO CCOc1cc(C[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)ccc1OCC(=O)Nc1ccccc1 ZINC001308274090 1070349952 /nfs/dbraw/zinc/34/99/52/1070349952.db2.gz HUALTKKUYJIBKX-UNMCSNQZSA-N 1 0 453.583 3.839 20 0 JHADRO CCCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H](O)C1CCOCC1 ZINC001308276170 1070349995 /nfs/dbraw/zinc/34/99/95/1070349995.db2.gz NGWFMVXNMADWOO-INIZCTEOSA-N 1 0 451.199 3.878 20 0 JHADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC001308278442 1070350873 /nfs/dbraw/zinc/35/08/73/1070350873.db2.gz BJLKHTGYDHPVEL-QGZVFWFLSA-N 1 0 455.404 3.535 20 0 JHADRO COc1cc(CN2CC[C@H]([NH2+]C3CCN(C(=O)c4ccccc4Cl)CC3)C2)cc(OC)c1 ZINC001308308459 1070354383 /nfs/dbraw/zinc/35/43/83/1070354383.db2.gz RITVEJLJKVFZNC-FQEVSTJZSA-N 1 0 458.002 3.826 20 0 JHADRO C[NH+]1CCN(c2ccc(CCNC(=O)N3CC[C@@H]3c3ccc(Br)cc3)cc2)CC1 ZINC001313434954 1070359383 /nfs/dbraw/zinc/35/93/83/1070359383.db2.gz ZGUKXMDQMIYDLQ-JOCHJYFZSA-N 1 0 457.416 3.900 20 0 JHADRO CCOc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)ccc1OCC(C)C ZINC001308337747 1070358831 /nfs/dbraw/zinc/35/88/31/1070358831.db2.gz RJVWWNGMOBEVKM-BJKOFHAPSA-N 1 0 451.611 3.809 20 0 JHADRO COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC001308320917 1070355790 /nfs/dbraw/zinc/35/57/90/1070355790.db2.gz CTQBPQIBZUXZME-UHFFFAOYSA-N 1 0 457.372 3.770 20 0 JHADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2cccnc2Br)c1 ZINC001308370425 1070363420 /nfs/dbraw/zinc/36/34/20/1070363420.db2.gz IYERJLPJSNZOBF-UHFFFAOYSA-N 1 0 457.166 3.525 20 0 JHADRO CSc1cc(Br)ccc1C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC001308379294 1070364771 /nfs/dbraw/zinc/36/47/71/1070364771.db2.gz HCPVQPOBVDMHAP-UHFFFAOYSA-N 1 0 451.358 3.517 20 0 JHADRO COc1cc(C[NH2+]CC2(CO)CCC2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001308368958 1070362230 /nfs/dbraw/zinc/36/22/30/1070362230.db2.gz CZSNOXUCBHBSOU-UHFFFAOYSA-N 1 0 452.473 3.984 20 0 JHADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NCc2ccc(Br)cc2F)c1 ZINC001308400126 1070369595 /nfs/dbraw/zinc/36/95/95/1070369595.db2.gz VEFWEQUIBMEOQS-UHFFFAOYSA-N 1 0 458.397 3.820 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2CCCCC2)CC1=O ZINC001313448005 1070369658 /nfs/dbraw/zinc/36/96/58/1070369658.db2.gz GAEGWBGDGIOTTE-FYYLOGMGSA-N 1 0 474.694 3.521 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001313447645 1070368341 /nfs/dbraw/zinc/36/83/41/1070368341.db2.gz LTELFYXFQZUBDD-PMACEKPBSA-N 1 0 456.635 3.852 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001313447850 1070369145 /nfs/dbraw/zinc/36/91/45/1070369145.db2.gz OWJMHKJDEQZUHR-KRWDZBQOSA-N 1 0 484.041 3.625 20 0 JHADRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1OC(F)F ZINC001308402167 1070370091 /nfs/dbraw/zinc/37/00/91/1070370091.db2.gz UDRRTTLZXKGDGW-IUODEOHRSA-N 1 0 455.365 3.557 20 0 JHADRO CCCN1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001313448180 1070370348 /nfs/dbraw/zinc/37/03/48/1070370348.db2.gz ZEXPEAGXOUOCGA-NRFANRHFSA-N 1 0 482.673 3.655 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313448276 1070371017 /nfs/dbraw/zinc/37/10/17/1070371017.db2.gz QJGNHAGWPOPENJ-QFIPXVFZSA-N 1 0 468.646 3.523 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(NC(C)=O)CC1 ZINC001313448469 1070371082 /nfs/dbraw/zinc/37/10/82/1070371082.db2.gz QVKGWKJWAZKJNG-KRWDZBQOSA-N 1 0 495.491 3.748 20 0 JHADRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1OCC(N)=O ZINC001308418326 1070373045 /nfs/dbraw/zinc/37/30/45/1070373045.db2.gz SRUWVZGVPROMIU-UHFFFAOYSA-N 1 0 455.555 3.537 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313448993 1070372997 /nfs/dbraw/zinc/37/29/97/1070372997.db2.gz FAIBGTGTYFIAAL-CTNGQTDRSA-N 1 0 469.634 3.660 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001314464237 1070373573 /nfs/dbraw/zinc/37/35/73/1070373573.db2.gz BYAJHDYWRHFDDR-KRWDZBQOSA-N 1 0 467.456 3.639 20 0 JHADRO CN(C)S(=O)(=O)c1cc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)ccc1Cl ZINC001308427732 1070374277 /nfs/dbraw/zinc/37/42/77/1070374277.db2.gz IIJVGUUQDHRXMV-UHFFFAOYSA-N 1 0 451.036 3.733 20 0 JHADRO CCCN1CCCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313449684 1070375750 /nfs/dbraw/zinc/37/57/50/1070375750.db2.gz QAWKECKPCVZWTB-NHCUHLMSSA-N 1 0 486.636 3.565 20 0 JHADRO CCCN1CCCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001313449686 1070375820 /nfs/dbraw/zinc/37/58/20/1070375820.db2.gz QAWKECKPCVZWTB-SFTDATJTSA-N 1 0 486.636 3.565 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313451666 1070380217 /nfs/dbraw/zinc/38/02/17/1070380217.db2.gz BDIKBHYTWPMBFQ-UNMCSNQZSA-N 1 0 483.661 3.584 20 0 JHADRO CCOCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001314467021 1070377720 /nfs/dbraw/zinc/37/77/20/1070377720.db2.gz OFNJXXGTHVJDQR-QGZVFWFLSA-N 1 0 450.425 3.973 20 0 JHADRO CCCN1CCCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCC[N@@H+]2CCC)CC1=O ZINC001313450743 1070378291 /nfs/dbraw/zinc/37/82/91/1070378291.db2.gz ZPXJQIAUQYIFNX-NRFANRHFSA-N 1 0 486.636 3.709 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313451015 1070378802 /nfs/dbraw/zinc/37/88/02/1070378802.db2.gz QDADKEFEXJZGLV-XZOQPEGZSA-N 1 0 459.610 3.513 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001313451023 1070378887 /nfs/dbraw/zinc/37/88/87/1070378887.db2.gz QIDLGLQNQNTWES-RTWAWAEBSA-N 1 0 472.682 3.741 20 0 JHADRO CCOc1c(OC)cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1OC ZINC001308465385 1070379379 /nfs/dbraw/zinc/37/93/79/1070379379.db2.gz VYSHSCGQUVBVBK-QFIPXVFZSA-N 1 0 450.373 3.875 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313451533 1070379308 /nfs/dbraw/zinc/37/93/08/1070379308.db2.gz WZWVQXUTZVJYRT-BVSLBCMMSA-N 1 0 490.693 3.786 20 0 JHADRO CC(C)(C)OC(=O)NCc1cn(-c2cccc(C[NH2+]Cc3cnn(-c4ccccc4)c3)c2)nn1 ZINC001308480380 1070380527 /nfs/dbraw/zinc/38/05/27/1070380527.db2.gz WLPBSPXLIQADST-UHFFFAOYSA-N 1 0 459.554 3.768 20 0 JHADRO CCCn1nc(-c2nnc(N(C)Cc3ccccn3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001313452139 1070381317 /nfs/dbraw/zinc/38/13/17/1070381317.db2.gz GARHKIWUJSXWOQ-UHFFFAOYSA-N 1 0 488.640 3.684 20 0 JHADRO CCCn1nc(-c2nnc(N(C)CC(C)(C)C)n2C[C@H]2CC[N@H+](CC)C2)c2ccccc2c1=O ZINC001313452672 1070383585 /nfs/dbraw/zinc/38/35/85/1070383585.db2.gz JVMWMNRKXIVGMR-IBGZPJMESA-N 1 0 465.646 3.889 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313452978 1070384373 /nfs/dbraw/zinc/38/43/73/1070384373.db2.gz MHKIQRXNJUAQKD-MYDTUXCISA-N 1 0 477.694 3.701 20 0 JHADRO O=C1COc2ccccc2CN1CC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC001308518660 1070385053 /nfs/dbraw/zinc/38/50/53/1070385053.db2.gz IUFRDHIYBKCHEC-UHFFFAOYSA-N 1 0 454.162 3.722 20 0 JHADRO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]2C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001308527288 1070386255 /nfs/dbraw/zinc/38/62/55/1070386255.db2.gz DLARUJBGIKHITM-MAUKXSAKSA-N 1 0 451.489 3.914 20 0 JHADRO COc1ccc(C[NH2+][C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1OCC(N)=O ZINC001308537412 1070386825 /nfs/dbraw/zinc/38/68/25/1070386825.db2.gz PQWZQBASYLIGRB-RBJSKKJNSA-N 1 0 459.590 3.707 20 0 JHADRO COC(=O)COc1ccccc1C[NH2+]C[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001308557751 1070388254 /nfs/dbraw/zinc/38/82/54/1070388254.db2.gz AUIIUOMCMRHYHT-SFHVURJKSA-N 1 0 451.363 3.797 20 0 JHADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1OCc1cccnc1 ZINC001308552854 1070388569 /nfs/dbraw/zinc/38/85/69/1070388569.db2.gz WSLMHDNHHMIEOU-KRWDZBQOSA-N 1 0 456.564 3.932 20 0 JHADRO CCOc1cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1OCc1ccc(C(=O)OC)o1 ZINC001308560565 1070388877 /nfs/dbraw/zinc/38/88/77/1070388877.db2.gz HOYOATPUNILEBL-OXJNMPFZSA-N 1 0 457.445 3.932 20 0 JHADRO O=C(COc1ccccc1C[NH2+]C[C@@](O)(c1ccccc1Cl)C(F)(F)F)NCC1CC1 ZINC001308558985 1070389065 /nfs/dbraw/zinc/38/90/65/1070389065.db2.gz UZLFAJJVMRBYHR-OAQYLSRUSA-N 1 0 456.892 3.785 20 0 JHADRO CCOc1cc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)ccc1OCc1ccc(C(=O)OC)o1 ZINC001308560564 1070389523 /nfs/dbraw/zinc/38/95/23/1070389523.db2.gz HOYOATPUNILEBL-JXFKEZNVSA-N 1 0 457.445 3.932 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001313454803 1070389928 /nfs/dbraw/zinc/38/99/28/1070389928.db2.gz AEPHPGXBGHMYQX-RBUKOAKNSA-N 1 0 465.646 3.888 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@](C)(O)CCC)c2ccccc2c1=O ZINC001313455681 1070393555 /nfs/dbraw/zinc/39/35/55/1070393555.db2.gz OFMIRBVCUXWDCF-MHZLTWQESA-N 1 0 495.672 3.583 20 0 JHADRO CCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001314484086 1070397313 /nfs/dbraw/zinc/39/73/13/1070397313.db2.gz SVHZCQBKMKKSPM-UHFFFAOYSA-N 1 0 478.435 3.817 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC[C@H]3CSC)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313458007 1070401546 /nfs/dbraw/zinc/40/15/46/1070401546.db2.gz BUXWWUNAZFTLIU-IBGZPJMESA-N 1 0 483.686 3.737 20 0 JHADRO CC(C)(C[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1)c1ccc(Br)cc1 ZINC001308628808 1070405594 /nfs/dbraw/zinc/40/55/94/1070405594.db2.gz VSEIZOSQBMCBNJ-UHFFFAOYSA-N 1 0 456.428 3.934 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001313459328 1070406710 /nfs/dbraw/zinc/40/67/10/1070406710.db2.gz HNCWMVNHVZZJMP-SJORKVTESA-N 1 0 477.028 3.963 20 0 JHADRO CCOCCN1CCN(c2nnc(C(C)C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001314492671 1070405954 /nfs/dbraw/zinc/40/59/54/1070405954.db2.gz ADOGDZIEGIHGHV-UHFFFAOYSA-N 1 0 454.663 3.594 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H]1CC ZINC001314492715 1070406016 /nfs/dbraw/zinc/40/60/16/1070406016.db2.gz AFAPYVRDVQYLRZ-IPMKNSEASA-N 1 0 488.599 3.647 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(C)CC2)C[C@H]1CC ZINC001314492890 1070406125 /nfs/dbraw/zinc/40/61/25/1070406125.db2.gz BTKAGDALBFBAPR-JOCHJYFZSA-N 1 0 468.646 3.884 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2-n2cccn2)C[C@H]1CC ZINC001314494915 1070410681 /nfs/dbraw/zinc/41/06/81/1070410681.db2.gz UFMORKNRERJJJU-JOCHJYFZSA-N 1 0 465.646 3.747 20 0 JHADRO O=S(=O)(NC1CCCC1)[C@@H]1CCCN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC001308638282 1070408338 /nfs/dbraw/zinc/40/83/38/1070408338.db2.gz DCXBXOFPMVESNM-HXUWFJFHSA-N 1 0 456.534 3.718 20 0 JHADRO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1N1CCO[C@H](C)C1 ZINC001308661674 1070413313 /nfs/dbraw/zinc/41/33/13/1070413313.db2.gz CIZBLWTYBPJJGP-JPYJTQIMSA-N 1 0 454.567 3.591 20 0 JHADRO CCOCCN1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314495511 1070413592 /nfs/dbraw/zinc/41/35/92/1070413592.db2.gz IAYVIDKHLHXZJV-QFIPXVFZSA-N 1 0 454.663 3.614 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@](C)(O)c2ccsc2)C[C@H]1CC ZINC001314495597 1070414563 /nfs/dbraw/zinc/41/45/63/1070414563.db2.gz IYBKJNOXBLPELW-RCZVLFRGSA-N 1 0 469.655 3.851 20 0 JHADRO COC(=O)[C@@H](C)Oc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC001308681471 1070417649 /nfs/dbraw/zinc/41/76/49/1070417649.db2.gz AXGQIYCURKMSKA-XLIONFOSSA-N 1 0 454.571 3.858 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2c(C)noc2C)C[C@@H]1CC ZINC001314495994 1070416200 /nfs/dbraw/zinc/41/62/00/1070416200.db2.gz DPVRNSUIJAHVLL-NRFANRHFSA-N 1 0 468.602 3.544 20 0 JHADRO CCOCCN1CCN(c2nnc(-c3ccccc3Cl)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001314495845 1070416316 /nfs/dbraw/zinc/41/63/16/1070416316.db2.gz KPCFGXDZPGRQQM-UHFFFAOYSA-N 1 0 475.081 3.879 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CC(C)(C)O)C[C@H]1CC ZINC001314496640 1070418119 /nfs/dbraw/zinc/41/81/19/1070418119.db2.gz LOSQYWYXZITJHW-HXUWFJFHSA-N 1 0 466.630 3.510 20 0 JHADRO CCOCCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001314496916 1070418879 /nfs/dbraw/zinc/41/88/79/1070418879.db2.gz NUFJYGSWOAKZPA-NRFANRHFSA-N 1 0 475.081 3.877 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1CC ZINC001314497260 1070420442 /nfs/dbraw/zinc/42/04/42/1070420442.db2.gz BUGHLHJFSNXNTB-FCHUYYIVSA-N 1 0 490.693 3.882 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cnn(CC)c2)C[C@H]1CC ZINC001314497738 1070421444 /nfs/dbraw/zinc/42/14/44/1070421444.db2.gz SVSUCUUASOFGJP-JOCHJYFZSA-N 1 0 472.037 3.800 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCC(OC)CC2)C[C@H]1CC ZINC001314497708 1070421469 /nfs/dbraw/zinc/42/14/69/1070421469.db2.gz FGVSQQVWFPQOPG-LPIJFZEYSA-N 1 0 463.667 3.662 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCS2)C[C@@H]1CC ZINC001314497783 1070421487 /nfs/dbraw/zinc/42/14/87/1070421487.db2.gz UZUYJORYMAAVOK-ZWKOTPCHSA-N 1 0 497.507 3.868 20 0 JHADRO CCCn1nc(-c2nnc(N3CCSC[C@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313462556 1070421539 /nfs/dbraw/zinc/42/15/39/1070421539.db2.gz XVKCPPMPJUBRQQ-WOJBJXKFSA-N 1 0 497.713 3.983 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(Cl)nc2)C[C@H]1CC ZINC001314497857 1070422106 /nfs/dbraw/zinc/42/21/06/1070422106.db2.gz FFMYCOTWQWJTEL-HXUWFJFHSA-N 1 0 475.062 3.964 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C1 ZINC001313462631 1070422375 /nfs/dbraw/zinc/42/23/75/1070422375.db2.gz ZVUQSDLOEMMIKI-SFTDATJTSA-N 1 0 486.636 3.786 20 0 JHADRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001308715416 1070424450 /nfs/dbraw/zinc/42/44/50/1070424450.db2.gz VJLNSXHSJFKBJO-HSZRJFAPSA-N 1 0 452.617 3.833 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CC(C)(C)C2)C[C@@H]1CC ZINC001314498481 1070424648 /nfs/dbraw/zinc/42/46/48/1070424648.db2.gz ORXAICAKBRPQPJ-QFIPXVFZSA-N 1 0 457.667 3.513 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C)nc2)C[C@H]1CC ZINC001314498772 1070425532 /nfs/dbraw/zinc/42/55/32/1070425532.db2.gz GXDQGKVVFFDRGD-HSZRJFAPSA-N 1 0 466.605 3.697 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2[C@@H]2C[C@H]2CF)C[C@@H]1CC ZINC001314499457 1070427213 /nfs/dbraw/zinc/42/72/13/1070427213.db2.gz KQWWHMQJTZRVJG-XGHQBKJUSA-N 1 0 451.537 3.615 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CSCCS2)C[C@@H]1CC ZINC001314499310 1070427267 /nfs/dbraw/zinc/42/72/67/1070427267.db2.gz XPFRKSPDNAUYPN-LEWJYISDSA-N 1 0 467.749 3.797 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CSCCS2)C[C@H]1CC ZINC001314499929 1070428797 /nfs/dbraw/zinc/42/87/97/1070428797.db2.gz DVXDFBHBUUXSJR-RTBURBONSA-N 1 0 455.738 3.652 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cc(C)on2)C[C@H]1CC ZINC001314500024 1070428885 /nfs/dbraw/zinc/42/88/85/1070428885.db2.gz OZROVIHLFOCOHZ-JOCHJYFZSA-N 1 0 473.021 3.804 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CSCCS2)C[C@H]1CC ZINC001314499926 1070429062 /nfs/dbraw/zinc/42/90/62/1070429062.db2.gz DVXDFBHBUUXSJR-MOPGFXCFSA-N 1 0 455.738 3.652 20 0 JHADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001308765409 1070433358 /nfs/dbraw/zinc/43/33/58/1070433358.db2.gz GYNYEYJSCWDSCS-KBXCAEBGSA-N 1 0 455.584 3.799 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2csc(C)c2)C[C@@H]1CC ZINC001314500652 1070431641 /nfs/dbraw/zinc/43/16/41/1070431641.db2.gz WYOLFRUYEZPWSP-QFIPXVFZSA-N 1 0 454.644 3.619 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2CCCCC2)C1 ZINC001313465539 1070433945 /nfs/dbraw/zinc/43/39/45/1070433945.db2.gz MVLVJBBDMWCETF-QFIPXVFZSA-N 1 0 470.637 3.627 20 0 JHADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001308783136 1070438158 /nfs/dbraw/zinc/43/81/58/1070438158.db2.gz SEBPIYVQNJJFCZ-FIKGOQFSSA-N 1 0 457.546 3.902 20 0 JHADRO CN1CC[C@@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C[C@H]1c1ccc(Br)cc1 ZINC001308776793 1070436528 /nfs/dbraw/zinc/43/65/28/1070436528.db2.gz IURWDOIWENOIBM-SMIHKQSGSA-N 1 0 458.444 3.593 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCCCCC2)C1 ZINC001313466141 1070437155 /nfs/dbraw/zinc/43/71/55/1070437155.db2.gz PYORXYVEKLEVLU-HXUWFJFHSA-N 1 0 488.627 3.766 20 0 JHADRO CN1CC[N@H+](Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)[C@H](Cc2ccccc2)C1 ZINC001308849064 1070448461 /nfs/dbraw/zinc/44/84/61/1070448461.db2.gz MCJQASMFXRGSCC-JOCHJYFZSA-N 1 0 454.615 3.695 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC001313468780 1070449523 /nfs/dbraw/zinc/44/95/23/1070449523.db2.gz QWAKSLCMKAOPJC-HXUWFJFHSA-N 1 0 452.647 3.593 20 0 JHADRO Cc1ccc(-n2c(Cl)c(CNCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)nc2N(C)C)cc1 ZINC001308859332 1070450087 /nfs/dbraw/zinc/45/00/87/1070450087.db2.gz IHZLHSUOZVYDMF-QFIPXVFZSA-N 1 0 454.018 3.757 20 0 JHADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H](O)c2cccc3ccccc32)cnn1C ZINC001308860327 1070450693 /nfs/dbraw/zinc/45/06/93/1070450693.db2.gz PNAGQIJWDQXHIW-NTKDMRAZSA-N 1 0 452.599 3.888 20 0 JHADRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 ZINC001308886930 1070455045 /nfs/dbraw/zinc/45/50/45/1070455045.db2.gz NCVDLFQVRRXZNB-QGZVFWFLSA-N 1 0 459.591 3.750 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3cnc(NC(=O)OC(C)(C)C)cn3)C2)O1 ZINC001308914992 1070459109 /nfs/dbraw/zinc/45/91/09/1070459109.db2.gz REFMJOKXIXUKJE-UQBPGWFLSA-N 1 0 453.587 3.689 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001313471207 1070460826 /nfs/dbraw/zinc/46/08/26/1070460826.db2.gz YWRUUGBSOQWHLE-NJDAHSKKSA-N 1 0 476.710 3.527 20 0 JHADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCN(CC)C1=O ZINC001308949429 1070464657 /nfs/dbraw/zinc/46/46/57/1070464657.db2.gz QHVJAKOVHYJTHH-APWZRJJASA-N 1 0 457.596 3.909 20 0 JHADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCN(CC)C1=O ZINC001308949430 1070464738 /nfs/dbraw/zinc/46/47/38/1070464738.db2.gz QHVJAKOVHYJTHH-LPHOPBHVSA-N 1 0 457.596 3.909 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001313472416 1070466461 /nfs/dbraw/zinc/46/64/61/1070466461.db2.gz ZKCVIRMOLWZLEI-OAQYLSRUSA-N 1 0 452.647 3.728 20 0 JHADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[C@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)CCC1 ZINC001308939067 1070463116 /nfs/dbraw/zinc/46/31/16/1070463116.db2.gz SMCFJWXKTVMFHM-QRVBRYPASA-N 1 0 457.681 3.785 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001313473072 1070469219 /nfs/dbraw/zinc/46/92/19/1070469219.db2.gz PHSKHXKDCMRXEJ-DEOSSOPVSA-N 1 0 482.673 3.990 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)cnn1C ZINC001308975081 1070469297 /nfs/dbraw/zinc/46/92/97/1070469297.db2.gz YVBSKZVBJYKSAF-LJQANCHMSA-N 1 0 452.603 3.934 20 0 JHADRO CCCNC(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313474288 1070472028 /nfs/dbraw/zinc/47/20/28/1070472028.db2.gz QZBOKUSVYGEQKX-IBGZPJMESA-N 1 0 474.625 3.784 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001314515552 1070486667 /nfs/dbraw/zinc/48/66/67/1070486667.db2.gz HPXMFVXEVMCVFN-QZTJIDSGSA-N 1 0 468.067 3.590 20 0 JHADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001309022771 1070489871 /nfs/dbraw/zinc/48/98/71/1070489871.db2.gz ZPBAYNFRXQRLGO-UHFFFAOYSA-N 1 0 453.402 3.840 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314517129 1070493337 /nfs/dbraw/zinc/49/33/37/1070493337.db2.gz LMIZSNWUBQFVAB-MLBCHFTJSA-N 1 0 497.750 3.577 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001313490338 1070511047 /nfs/dbraw/zinc/51/10/47/1070511047.db2.gz WZGDBADQMHNZEQ-INIZCTEOSA-N 1 0 495.853 3.562 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001313492308 1070513315 /nfs/dbraw/zinc/51/33/15/1070513315.db2.gz PERUWYKBZHUIDD-UHFFFAOYSA-N 1 0 498.672 3.581 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001313501876 1070527066 /nfs/dbraw/zinc/52/70/66/1070527066.db2.gz CVBNPRGUTVVOCF-NFQMXDRXSA-N 1 0 498.672 3.565 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001309091057 1070534058 /nfs/dbraw/zinc/53/40/58/1070534058.db2.gz QCTRCASEGNYNHV-WOJBJXKFSA-N 1 0 455.393 3.838 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@]2(O)CCSC2)cc1OC ZINC001313503893 1070535334 /nfs/dbraw/zinc/53/53/34/1070535334.db2.gz CUDQJQTTZWCNGF-RUZDIDTESA-N 1 0 489.686 3.531 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@@](C)(O)C2CC2)cc1OC ZINC001313504001 1070536218 /nfs/dbraw/zinc/53/62/18/1070536218.db2.gz VFRUKEIFVIKZIB-LZJCXSABSA-N 1 0 471.646 3.822 20 0 JHADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001309099974 1070539924 /nfs/dbraw/zinc/53/99/24/1070539924.db2.gz LHOCWTIYWYQQPY-RDJZCZTQSA-N 1 0 453.402 3.880 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC(C(=O)OC)CC3)n2CC[NH+]2CCCCC2)cc1OC ZINC001313505115 1070541585 /nfs/dbraw/zinc/54/15/85/1070541585.db2.gz YFCWTNGQKHNOHY-UHFFFAOYSA-N 1 0 485.629 3.618 20 0 JHADRO C[C@@H](CNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1)[NH+]1CCC(C)CC1 ZINC001309102566 1070541741 /nfs/dbraw/zinc/54/17/41/1070541741.db2.gz GTGUGXKPJFTXQN-AWEZNQCLSA-N 1 0 458.447 3.971 20 0 JHADRO CC[S@](=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001314557257 1070559497 /nfs/dbraw/zinc/55/94/97/1070559497.db2.gz FCKYYKQICZAVEP-FPYOTAMTSA-N 1 0 479.666 3.884 20 0 JHADRO CCCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cn1 ZINC001313512723 1070564741 /nfs/dbraw/zinc/56/47/41/1070564741.db2.gz RPNJBEGXGUCPAC-MSOLQXFVSA-N 1 0 469.659 3.785 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H]2CCCC[N@@H+]2CC)cc1OC ZINC001313515827 1070574610 /nfs/dbraw/zinc/57/46/10/1070574610.db2.gz YOVFWSJGEQYYMC-FCEUIQTBSA-N 1 0 471.646 3.824 20 0 JHADRO CCCOc1ncccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001313519991 1070585056 /nfs/dbraw/zinc/58/50/56/1070585056.db2.gz NVUFXQVIFFOQHN-DEOSSOPVSA-N 1 0 492.668 3.954 20 0 JHADRO CC[S@](=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001314579262 1070589168 /nfs/dbraw/zinc/58/91/68/1070589168.db2.gz MZAFDNKBGBQHST-UPTQXZAWSA-N 1 0 480.078 3.590 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[NH+]2CCCC2)CC1 ZINC001313522628 1070592397 /nfs/dbraw/zinc/59/23/97/1070592397.db2.gz WOJPVDDXIZUMBE-JOCHJYFZSA-N 1 0 489.686 3.620 20 0 JHADRO O=S(=O)(c1ccc(Br)cc1C(F)(F)F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001309199015 1070599629 /nfs/dbraw/zinc/59/96/29/1070599629.db2.gz ZFHXMHSJQVRWLT-ZDUSSCGKSA-N 1 0 455.340 3.964 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001313525063 1070597724 /nfs/dbraw/zinc/59/77/24/1070597724.db2.gz YVIREWWINUSWRI-XZOQPEGZSA-N 1 0 474.694 3.697 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(C3CCC3)n2CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC001314585000 1070604068 /nfs/dbraw/zinc/60/40/68/1070604068.db2.gz WEXDNZQEVRPTCG-KRWDZBQOSA-N 1 0 477.679 3.614 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001313529605 1070610216 /nfs/dbraw/zinc/61/02/16/1070610216.db2.gz SXGYTIJLMTUKCS-NHCUHLMSSA-N 1 0 459.610 3.838 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314588101 1070612262 /nfs/dbraw/zinc/61/22/62/1070612262.db2.gz IJGYRSPCALQRKA-HSALFYBXSA-N 1 0 450.697 3.791 20 0 JHADRO CCCS(=O)(=O)NC1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001313534499 1070624992 /nfs/dbraw/zinc/62/49/92/1070624992.db2.gz LKSCABVDKYZWOI-OAQYLSRUSA-N 1 0 494.750 3.602 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(Cc3ccccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001314595201 1070635037 /nfs/dbraw/zinc/63/50/37/1070635037.db2.gz LYCUBGAZRKGZAB-ACIOBRDBSA-N 1 0 472.703 3.875 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001313543150 1070639838 /nfs/dbraw/zinc/63/98/38/1070639838.db2.gz DXANSWYJKWMHNO-RTWAWAEBSA-N 1 0 490.693 3.740 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314597216 1070640419 /nfs/dbraw/zinc/64/04/19/1070640419.db2.gz QLFMKGKWGKLQDH-LUYSREMJSA-N 1 0 462.708 3.708 20 0 JHADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)nc1F ZINC001309246654 1070641633 /nfs/dbraw/zinc/64/16/33/1070641633.db2.gz MCAHVSGAVOVCLE-INIZCTEOSA-N 1 0 456.381 3.516 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314602398 1070655890 /nfs/dbraw/zinc/65/58/90/1070655890.db2.gz WIJXSIDSBUFCGK-YTFSRNRJSA-N 1 0 489.734 3.607 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314601667 1070653478 /nfs/dbraw/zinc/65/34/78/1070653478.db2.gz CAEHOWFXFHUURO-NJDAHSKKSA-N 1 0 462.708 3.996 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314601875 1070654329 /nfs/dbraw/zinc/65/43/29/1070654329.db2.gz CAEHOWFXFHUURO-NJYVYQBISA-N 1 0 462.708 3.996 20 0 JHADRO O=S(=O)(Cc1c(F)cccc1Cl)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001309283364 1070668449 /nfs/dbraw/zinc/66/84/49/1070668449.db2.gz PLQLPYIUAIFAEV-UHFFFAOYSA-N 1 0 454.995 3.970 20 0 JHADRO CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001313561027 1070678416 /nfs/dbraw/zinc/67/84/16/1070678416.db2.gz KFBFWHGYDRJYDO-KRWDZBQOSA-N 1 0 450.425 3.973 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(C3CCC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)c1 ZINC001313571764 1070686027 /nfs/dbraw/zinc/68/60/27/1070686027.db2.gz GMICVECZRUQSKL-UHFFFAOYSA-N 1 0 492.590 3.941 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)c1 ZINC001313574247 1070689132 /nfs/dbraw/zinc/68/91/32/1070689132.db2.gz YNCRMLKTDRJGAX-OXQOHEQNSA-N 1 0 461.536 3.813 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC001313570088 1070683600 /nfs/dbraw/zinc/68/36/00/1070683600.db2.gz XNSMCWWHKDEQLB-XXBNENTESA-N 1 0 496.681 3.944 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC001313570087 1070683721 /nfs/dbraw/zinc/68/37/21/1070683721.db2.gz XNSMCWWHKDEQLB-WMZHIEFXSA-N 1 0 496.681 3.944 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)[C@H](C)C2)c1 ZINC001313575531 1070691333 /nfs/dbraw/zinc/69/13/33/1070691333.db2.gz PZACPKISCYRGOV-RTBURBONSA-N 1 0 466.655 3.862 20 0 JHADRO CCSCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001314618792 1070693256 /nfs/dbraw/zinc/69/32/56/1070693256.db2.gz ALLMMAYBDXXSDG-FGZHOGPDSA-N 1 0 479.735 3.889 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)C)nnc2N2CCN(Cc3cc(C)on3)CC2)c1 ZINC001313576632 1070693340 /nfs/dbraw/zinc/69/33/40/1070693340.db2.gz YWCKGROYSAFYJA-UHFFFAOYSA-N 1 0 465.646 3.595 20 0 JHADRO Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1Cl ZINC001309323812 1070699443 /nfs/dbraw/zinc/69/94/43/1070699443.db2.gz YZYZONDVPMAHJU-PKOBYXMFSA-N 1 0 457.423 3.772 20 0 JHADRO CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001313583547 1070705978 /nfs/dbraw/zinc/70/59/78/1070705978.db2.gz VVEPXWKJHUZRTB-IGKIAQTJSA-N 1 0 485.673 3.845 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001314624965 1070710973 /nfs/dbraw/zinc/71/09/73/1070710973.db2.gz KEWHXDXMKFCZLA-NBGIEHNGSA-N 1 0 492.734 3.894 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313587874 1070714231 /nfs/dbraw/zinc/71/42/31/1070714231.db2.gz OEDDIPDMDMBMIW-KRWDZBQOSA-N 1 0 486.469 3.751 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1[N@H+](C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313588233 1070715301 /nfs/dbraw/zinc/71/53/01/1070715301.db2.gz RWEGGQAPRQWHRA-XLIONFOSSA-N 1 0 498.068 3.871 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001314627221 1070719301 /nfs/dbraw/zinc/71/93/01/1070719301.db2.gz UTTAIQFIHQZUCJ-HSZRJFAPSA-N 1 0 484.664 3.823 20 0 JHADRO CCN(c1nnc(-c2ccccc2Cl)n1CC[C@@H](C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313592700 1070719833 /nfs/dbraw/zinc/71/98/33/1070719833.db2.gz UNGNOEYCQLWCGD-MOPGFXCFSA-N 1 0 480.078 3.876 20 0 JHADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC001309359541 1070721837 /nfs/dbraw/zinc/72/18/37/1070721837.db2.gz ZYUCKSWELSUFMI-QEGGNFSNSA-N 1 0 456.652 3.776 20 0 JHADRO CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H](C)[NH+](C)C)[C@@H](C)C1CCC1 ZINC001313599678 1070723968 /nfs/dbraw/zinc/72/39/68/1070723968.db2.gz WWDUBQPQHRCBCC-ROUUACIJSA-N 1 0 451.619 3.640 20 0 JHADRO CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC[NH+]1CCC(C)CC1)[C@H](C)C1CCC1 ZINC001313602925 1070725703 /nfs/dbraw/zinc/72/57/03/1070725703.db2.gz BXBLFCRDGPGALX-IRLDBZIGSA-N 1 0 465.708 3.707 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCC1 ZINC001314630050 1070729995 /nfs/dbraw/zinc/72/99/95/1070729995.db2.gz VQINUZFPLREPFW-HXUWFJFHSA-N 1 0 463.001 3.669 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc(C(C)(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC001314630302 1070730066 /nfs/dbraw/zinc/73/00/66/1070730066.db2.gz WJLWQUZIMWZHOC-UHFFFAOYSA-N 1 0 488.721 3.553 20 0 JHADRO CN(C)C(=O)c1cccc(Cn2c(-c3cccn3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001314631415 1070732890 /nfs/dbraw/zinc/73/28/90/1070732890.db2.gz QVUKAUQMXIXEPK-UHFFFAOYSA-N 1 0 477.657 3.592 20 0 JHADRO CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(C[NH+]2CCOCC2)CCCCC1)C(C)C ZINC001313615455 1070739335 /nfs/dbraw/zinc/73/93/35/1070739335.db2.gz OMOBJXIUCJEHDO-UHFFFAOYSA-N 1 0 457.667 3.657 20 0 JHADRO CCN(c1nnc(COc2ccccc2OC)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001313619341 1070744875 /nfs/dbraw/zinc/74/48/75/1070744875.db2.gz TWDFSTGRDATBPE-KDURUIRLSA-N 1 0 457.619 3.742 20 0 JHADRO CN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCSC1 ZINC001314647109 1070748669 /nfs/dbraw/zinc/74/86/69/1070748669.db2.gz LHCHLOCUWVSIEJ-IFMALSPDSA-N 1 0 491.727 3.801 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314648227 1070751921 /nfs/dbraw/zinc/75/19/21/1070751921.db2.gz FGIIZRNSVLFAPP-QFIPXVFZSA-N 1 0 495.603 3.839 20 0 JHADRO CN(C)C(=O)Nc1ccc(Cn2c(N3CC[NH+](C4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001314648331 1070751982 /nfs/dbraw/zinc/75/19/82/1070751982.db2.gz ZLNZQPDNQKKELY-UHFFFAOYSA-N 1 0 453.635 3.782 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)(F)F)CC1)C1CC1 ZINC001314650039 1070758037 /nfs/dbraw/zinc/75/80/37/1070758037.db2.gz YOJQRBZDVQEHIN-GOSISDBHSA-N 1 0 474.934 3.762 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccsc1 ZINC001314649061 1070754364 /nfs/dbraw/zinc/75/43/64/1070754364.db2.gz LCBMQGCHWCQZMN-SJORKVTESA-N 1 0 470.565 3.762 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001313625702 1070754701 /nfs/dbraw/zinc/75/47/01/1070754701.db2.gz CRSNFHCTGQGJHP-VWLOTQADSA-N 1 0 453.587 3.666 20 0 JHADRO Cn1cc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC001314649262 1070754875 /nfs/dbraw/zinc/75/48/75/1070754875.db2.gz MZHMYCBYHPJTPB-IBGZPJMESA-N 1 0 463.483 3.819 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CO)CC1)c1ccc(F)cc1 ZINC001314649163 1070755023 /nfs/dbraw/zinc/75/50/23/1070755023.db2.gz SXGMGEWTZKXNEX-HXUWFJFHSA-N 1 0 458.969 3.644 20 0 JHADRO CN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1cccc(F)c1)[NH+](C)C)C1CC1 ZINC001314649428 1070756073 /nfs/dbraw/zinc/75/60/73/1070756073.db2.gz BDTJVCPTAXSHTR-RTWAWAEBSA-N 1 0 488.608 3.627 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC001314649461 1070756139 /nfs/dbraw/zinc/75/61/39/1070756139.db2.gz BQJKALFYOQDCNP-WOJBJXKFSA-N 1 0 476.666 3.744 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1cccc(F)c1 ZINC001314649805 1070756667 /nfs/dbraw/zinc/75/66/67/1070756667.db2.gz DRLGVWLZEBQYIR-OALUTQOASA-N 1 0 485.526 3.855 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001313628574 1070759394 /nfs/dbraw/zinc/75/93/94/1070759394.db2.gz VWHXTBUDBSVDAU-FQEVSTJZSA-N 1 0 461.676 3.951 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314650937 1070759944 /nfs/dbraw/zinc/75/99/44/1070759944.db2.gz NISNXRDJQHKACX-OTWHNJEPSA-N 1 0 490.674 3.988 20 0 JHADRO C[NH+](C)[C@H](Cn1c(N2CCN(Cc3cscn3)CC2)nnc1C(C)(C)C)c1cccs1 ZINC001314651176 1070760611 /nfs/dbraw/zinc/76/06/11/1070760611.db2.gz AXEIIVAUKIIBQL-GOSISDBHSA-N 1 0 459.689 3.719 20 0 JHADRO Cn1cc(-c2nnc(N3CCC=C(Br)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cn1 ZINC001314652377 1070762939 /nfs/dbraw/zinc/76/29/39/1070762939.db2.gz YMKQWCKEEBTLAG-IBGZPJMESA-N 1 0 462.440 3.678 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001314652330 1070763037 /nfs/dbraw/zinc/76/30/37/1070763037.db2.gz YAPHBOIMWANUFN-PKOBYXMFSA-N 1 0 469.590 3.520 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(Br)s3)nnc2N2CCC(CC(N)=O)CC2)CCCC1 ZINC001314652155 1070763115 /nfs/dbraw/zinc/76/31/15/1070763115.db2.gz DMSIKHWXDUVREA-UHFFFAOYSA-N 1 0 495.491 3.735 20 0 JHADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC001309427949 1070763974 /nfs/dbraw/zinc/76/39/74/1070763974.db2.gz VBVCMBFLVFXRCA-LJQANCHMSA-N 1 0 457.518 3.622 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(CC(F)(F)F)CC2)CCC1 ZINC001314652762 1070764349 /nfs/dbraw/zinc/76/43/49/1070764349.db2.gz JDTLOGPXZCPODH-UHFFFAOYSA-N 1 0 456.944 3.767 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001314653511 1070765892 /nfs/dbraw/zinc/76/58/92/1070765892.db2.gz ZEDPFUGZSDQXRQ-UNMCSNQZSA-N 1 0 484.645 3.578 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(N2CCN(C3=NCC(C)(C)S3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001314653989 1070767864 /nfs/dbraw/zinc/76/78/64/1070767864.db2.gz PMOFAAITQDEVGD-FQEVSTJZSA-N 1 0 469.703 3.882 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CCC1 ZINC001314656724 1070775747 /nfs/dbraw/zinc/77/57/47/1070775747.db2.gz OFJMARNNWURPHC-IBGZPJMESA-N 1 0 469.634 3.566 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(C3CCCC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CCSC1 ZINC001314657240 1070776182 /nfs/dbraw/zinc/77/61/82/1070776182.db2.gz VJVLLBHMAVLNGG-DEOSSOPVSA-N 1 0 478.707 3.867 20 0 JHADRO C[NH+](C)C1(Cn2c([C@H]3CCCOC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CCCCC1 ZINC001314655863 1070773951 /nfs/dbraw/zinc/77/39/51/1070773951.db2.gz DVTZLUDZTZJPIT-FQEVSTJZSA-N 1 0 490.693 3.930 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2ccccc2Br)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313637154 1070774916 /nfs/dbraw/zinc/77/49/16/1070774916.db2.gz NOCNRNTUNMXXNH-GOSISDBHSA-N 1 0 491.478 3.887 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1cccs1 ZINC001314657080 1070776359 /nfs/dbraw/zinc/77/63/59/1070776359.db2.gz VQJNUCLQIYBILG-QGZVFWFLSA-N 1 0 480.560 3.522 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccsc1 ZINC001314656525 1070774973 /nfs/dbraw/zinc/77/49/73/1070774973.db2.gz ZNOLXFQTCZANJG-BWKNWUBXSA-N 1 0 466.655 3.520 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccccc3F)nnc2N2CCC(CCC(N)=O)CC2)CCCCC1 ZINC001314660183 1070783794 /nfs/dbraw/zinc/78/37/94/1070783794.db2.gz SJRIPCBDIIVFNZ-UHFFFAOYSA-N 1 0 470.637 3.754 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3F)CC2)CCSC1 ZINC001314660176 1070783893 /nfs/dbraw/zinc/78/38/93/1070783893.db2.gz SCBGDJQQHJSXII-XMMPIXPASA-N 1 0 460.667 3.770 20 0 JHADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC(c2ncc3n2CCCC3)CC1 ZINC001309450233 1070778396 /nfs/dbraw/zinc/77/83/96/1070778396.db2.gz MGSNLBITDBQXLW-UHFFFAOYSA-N 1 0 456.381 3.830 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CC3CCCC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CCSC1 ZINC001314658008 1070778437 /nfs/dbraw/zinc/77/84/37/1070778437.db2.gz NNIQKEQFZOEXJH-FGZHOGPDSA-N 1 0 489.652 3.978 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccsc3)nnc2N2CCC(O)(C(F)(F)F)CC2)CCCC1 ZINC001314658303 1070778867 /nfs/dbraw/zinc/77/88/67/1070778867.db2.gz XQOZKMMXIZBGBG-UHFFFAOYSA-N 1 0 457.566 3.698 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CC[C@](O)(c3cccc(F)c3)C2)CCSC1 ZINC001314658575 1070779485 /nfs/dbraw/zinc/77/94/85/1070779485.db2.gz DJCDCNSHJZKTTM-DNQXCXABSA-N 1 0 461.651 3.541 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C2CCCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313639991 1070784052 /nfs/dbraw/zinc/78/40/52/1070784052.db2.gz QBJBHXAYYFSPNU-XMMPIXPASA-N 1 0 468.690 3.830 20 0 JHADRO CN(C)c1ccc(Cn2c(CC[NH+]3CCN(c4ccccc4)CC3)nnc2N(C)CC(C)(C)C)cn1 ZINC001314658854 1070779796 /nfs/dbraw/zinc/77/97/96/1070779796.db2.gz MGDNPECTLWBSBU-UHFFFAOYSA-N 1 0 490.700 3.634 20 0 JHADRO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cn1 ZINC001314660730 1070784893 /nfs/dbraw/zinc/78/48/93/1070784893.db2.gz IKKUNSSFLFJQLM-SQJMNOBHSA-N 1 0 493.704 3.629 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(Cc2csc(C)n2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001313640782 1070786085 /nfs/dbraw/zinc/78/60/85/1070786085.db2.gz TYMWEDWHRJNCKZ-CVDCTZTESA-N 1 0 468.671 3.986 20 0 JHADRO CN(CCc1cnccn1)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)C[NH+](C)C ZINC001314663704 1070792974 /nfs/dbraw/zinc/79/29/74/1070792974.db2.gz YDBJZKLXRCQJBC-UHFFFAOYSA-N 1 0 478.464 3.826 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC1([NH+](C)C)CCOCC1 ZINC001313641353 1070787304 /nfs/dbraw/zinc/78/73/04/1070787304.db2.gz UUQYWNUKOQWQIR-QFIPXVFZSA-N 1 0 499.059 3.973 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C[NH+](C)C ZINC001314664193 1070794143 /nfs/dbraw/zinc/79/41/43/1070794143.db2.gz NRTADJZUDNGCSA-UHFFFAOYSA-N 1 0 477.451 3.501 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001313643759 1070794900 /nfs/dbraw/zinc/79/49/00/1070794900.db2.gz FUBILMKNJZVXEN-FQEVSTJZSA-N 1 0 467.662 3.608 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001314664879 1070796008 /nfs/dbraw/zinc/79/60/08/1070796008.db2.gz FLNJNHNHQVNOPB-FQEVSTJZSA-N 1 0 454.663 3.912 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001314665572 1070797197 /nfs/dbraw/zinc/79/71/97/1070797197.db2.gz DCTRGNCHTZYTAE-UHFFFAOYSA-N 1 0 486.636 3.565 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001314665730 1070797885 /nfs/dbraw/zinc/79/78/85/1070797885.db2.gz LNHBZJTZGPFYTC-LJQANCHMSA-N 1 0 476.691 3.869 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCN(c2cccs2)CC1 ZINC001314666108 1070798341 /nfs/dbraw/zinc/79/83/41/1070798341.db2.gz NAOZEYWCZNSDKT-UHFFFAOYSA-N 1 0 472.634 3.972 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001314666378 1070798806 /nfs/dbraw/zinc/79/88/06/1070798806.db2.gz PIJLZYNUMDGKTK-ZWKOTPCHSA-N 1 0 480.034 3.926 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667690 1070802636 /nfs/dbraw/zinc/80/26/36/1070802636.db2.gz QIQAUABUAMHJDY-FQEVSTJZSA-N 1 0 455.006 3.966 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(Cc3ccsc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001314669770 1070808917 /nfs/dbraw/zinc/80/89/17/1070808917.db2.gz KZZVRCWYTLOJNI-UHFFFAOYSA-N 1 0 474.719 3.598 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC(N3CCCCC3=O)CC2)c1 ZINC001314668541 1070804518 /nfs/dbraw/zinc/80/45/18/1070804518.db2.gz JVAWKXFGIKGIJA-UHFFFAOYSA-N 1 0 496.700 3.837 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)C[NH+](C)C ZINC001314669034 1070805907 /nfs/dbraw/zinc/80/59/07/1070805907.db2.gz XOGGBDHALZOMDX-IBGZPJMESA-N 1 0 463.026 3.836 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2cccn2C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001313646799 1070809378 /nfs/dbraw/zinc/80/93/78/1070809378.db2.gz XTYDDIVGTDLMEI-UHFFFAOYSA-N 1 0 469.678 3.635 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(Cc3ccsc3)nnc2N2CCOC(C)(C)C2)c1 ZINC001314668945 1070806063 /nfs/dbraw/zinc/80/60/63/1070806063.db2.gz TWJYIMSBQVJRRH-UHFFFAOYSA-N 1 0 455.628 3.534 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(C3CC3)nnc2N(C)Cc2ccc(Br)s2)CC1 ZINC001314669490 1070808672 /nfs/dbraw/zinc/80/86/72/1070808672.db2.gz HWNSFZGNVNGVAA-UHFFFAOYSA-N 1 0 481.508 3.890 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC001314670285 1070811213 /nfs/dbraw/zinc/81/12/13/1070811213.db2.gz KJFJVGYWHHHLNK-SFHVURJKSA-N 1 0 488.995 3.759 20 0 JHADRO CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCC[NH+](C)C)[C@@H]1CCc2ccccc21 ZINC001314670546 1070811942 /nfs/dbraw/zinc/81/19/42/1070811942.db2.gz CCDNCPFHAPNEPO-DNVJHFABSA-N 1 0 455.647 3.899 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001314670887 1070812933 /nfs/dbraw/zinc/81/29/33/1070812933.db2.gz SSAJVGAUXRUJQE-FQEVSTJZSA-N 1 0 484.636 3.983 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(OC(C)(C)C)CC2)cc1 ZINC001314670972 1070813662 /nfs/dbraw/zinc/81/36/62/1070813662.db2.gz HNZDMPJOLCVJFY-OAQYLSRUSA-N 1 0 471.646 3.555 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1CCOCC[NH+](C)C ZINC001314671602 1070814829 /nfs/dbraw/zinc/81/48/29/1070814829.db2.gz UFWFDYYBGKUQKY-INIZCTEOSA-N 1 0 497.591 3.721 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC001313651744 1070827777 /nfs/dbraw/zinc/82/77/77/1070827777.db2.gz KJHIMFALAYFEIG-JTHBVZDNSA-N 1 0 491.640 3.930 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CCCOC[C@@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314676667 1070822218 /nfs/dbraw/zinc/82/22/18/1070822218.db2.gz KLZMCZQTCRVEQL-PKTZIBPZSA-N 1 0 455.647 3.872 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C3CCC3)n2C[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001313650900 1070824021 /nfs/dbraw/zinc/82/40/21/1070824021.db2.gz SVJJMYUFXVZBOR-NRFANRHFSA-N 1 0 471.650 3.806 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC001313651251 1070825560 /nfs/dbraw/zinc/82/55/60/1070825560.db2.gz ZDMKMSLCZNOEHU-DEOSSOPVSA-N 1 0 481.689 3.898 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001313651611 1070826674 /nfs/dbraw/zinc/82/66/74/1070826674.db2.gz HMSBQLAHYLUIQG-XJUOHMSHSA-N 1 0 468.646 3.883 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001313652214 1070829005 /nfs/dbraw/zinc/82/90/05/1070829005.db2.gz QKUKKDNXSOMYSD-OAQYLSRUSA-N 1 0 499.729 3.945 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2cccc(F)c2)C1 ZINC001313652612 1070830244 /nfs/dbraw/zinc/83/02/44/1070830244.db2.gz WCXWWSFSKSQSHO-QUCCMNQESA-N 1 0 465.577 3.789 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001313652631 1070831495 /nfs/dbraw/zinc/83/14/95/1070831495.db2.gz WIUXLHQBWVGEKT-UZKOGDIHSA-N 1 0 489.064 3.597 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001313654431 1070838463 /nfs/dbraw/zinc/83/84/63/1070838463.db2.gz LHQBKMFJXBXAKH-OAQYLSRUSA-N 1 0 471.650 3.551 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cnccn2)CC1 ZINC001313655925 1070847472 /nfs/dbraw/zinc/84/74/72/1070847472.db2.gz AXVXNVXSOOLXKC-JTHBVZDNSA-N 1 0 492.672 3.882 20 0 JHADRO CN(c1nnc(C2CCC2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314688499 1070847692 /nfs/dbraw/zinc/84/76/92/1070847692.db2.gz HAOIZIPPAZBJHG-OAQYLSRUSA-N 1 0 454.619 3.781 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C)CC1 ZINC001313656090 1070848225 /nfs/dbraw/zinc/84/82/25/1070848225.db2.gz DTDDRGHRWHEQLN-GOSISDBHSA-N 1 0 461.680 3.513 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H]1C(C)C ZINC001313657577 1070855708 /nfs/dbraw/zinc/85/57/08/1070855708.db2.gz SHOFNBNOKARKCS-AZUAARDMSA-N 1 0 475.707 3.902 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001313656685 1070852134 /nfs/dbraw/zinc/85/21/34/1070852134.db2.gz FPAQULVTBLGTPT-IXDOHACOSA-N 1 0 456.056 3.587 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313659562 1070863513 /nfs/dbraw/zinc/86/35/13/1070863513.db2.gz ZDGPQJCOFAJXES-HOTGVXAUSA-N 1 0 466.989 3.745 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001313658294 1070858696 /nfs/dbraw/zinc/85/86/96/1070858696.db2.gz CIPFAQWVKPDSPH-RTBURBONSA-N 1 0 455.582 3.596 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC001313658291 1070859072 /nfs/dbraw/zinc/85/90/72/1070859072.db2.gz CIPFAQWVKPDSPH-OALUTQOASA-N 1 0 455.582 3.596 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001313658534 1070859634 /nfs/dbraw/zinc/85/96/34/1070859634.db2.gz AWAUNWPTEDHHFG-SFHVURJKSA-N 1 0 476.069 3.959 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001313658850 1070860906 /nfs/dbraw/zinc/86/09/06/1070860906.db2.gz CVMAVUQGPMNYPF-IEBWSBKVSA-N 1 0 497.562 3.994 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001313658876 1070860974 /nfs/dbraw/zinc/86/09/74/1070860974.db2.gz DCEYQLXPANAWIT-XTWGIRIWSA-N 1 0 456.635 3.568 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001313659905 1070864172 /nfs/dbraw/zinc/86/41/72/1070864172.db2.gz MFVQVPILRSFQBO-SFHVURJKSA-N 1 0 455.557 3.675 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCOC1 ZINC001313660013 1070864317 /nfs/dbraw/zinc/86/43/17/1070864317.db2.gz MZRZNHLYJXVRML-IRXDYDNUSA-N 1 0 450.425 3.911 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001313659443 1070863279 /nfs/dbraw/zinc/86/32/79/1070863279.db2.gz HSNIVKRMIAAXIA-IFMALSPDSA-N 1 0 452.647 3.726 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC001313660738 1070866171 /nfs/dbraw/zinc/86/61/71/1070866171.db2.gz UWGXIQWBDKTFKY-HXUWFJFHSA-N 1 0 482.654 3.513 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@](C)(CC)C1 ZINC001313661681 1070868855 /nfs/dbraw/zinc/86/88/55/1070868855.db2.gz HVDNWVDREFOVBH-CJFMBICVSA-N 1 0 451.619 3.866 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313661731 1070869046 /nfs/dbraw/zinc/86/90/46/1070869046.db2.gz YQEPSUMBZXFKTB-QINHECLXSA-N 1 0 485.551 3.849 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001313661861 1070869596 /nfs/dbraw/zinc/86/95/96/1070869596.db2.gz JRTXSPMLDHWHTG-INIZCTEOSA-N 1 0 460.026 3.789 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001313661894 1070869697 /nfs/dbraw/zinc/86/96/97/1070869697.db2.gz KHBJJEFKVHPOAK-IAGOWNOFSA-N 1 0 454.575 3.639 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001313661977 1070870010 /nfs/dbraw/zinc/87/00/10/1070870010.db2.gz LSINGEXXVQUTGT-IRXDYDNUSA-N 1 0 491.562 3.662 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 ZINC001313662233 1070870264 /nfs/dbraw/zinc/87/02/64/1070870264.db2.gz PUEIOJPBKXORHT-UNMCSNQZSA-N 1 0 452.647 3.826 20 0 JHADRO CCn1nc(-c2nnc(N(C)OC3CCCC3)n2C[C@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313662727 1070870464 /nfs/dbraw/zinc/87/04/64/1070870464.db2.gz WNLIWTZZQFLMFL-SFHVURJKSA-N 1 0 467.618 3.716 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@H](C(C)C)C1 ZINC001313662674 1070870497 /nfs/dbraw/zinc/87/04/97/1070870497.db2.gz WBWSVVGQUJPPGS-PMACEKPBSA-N 1 0 465.646 3.795 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001313662566 1070870962 /nfs/dbraw/zinc/87/09/62/1070870962.db2.gz UUHIFWFBTMFEBN-RTBURBONSA-N 1 0 484.599 3.627 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccco1)c1ccsc1 ZINC001313663497 1070872286 /nfs/dbraw/zinc/87/22/86/1070872286.db2.gz DOPXHSCWSUJYCA-HXUWFJFHSA-N 1 0 456.616 3.888 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC001313663588 1070872781 /nfs/dbraw/zinc/87/27/81/1070872781.db2.gz JLPMSDBGOCPDGQ-GHTZIAJQSA-N 1 0 486.661 3.511 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001313663606 1070872831 /nfs/dbraw/zinc/87/28/31/1070872831.db2.gz JPAKHDVMAYOWJT-FQEVSTJZSA-N 1 0 470.637 3.696 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(C(C)(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001314708089 1070880627 /nfs/dbraw/zinc/88/06/27/1070880627.db2.gz GVXSJFCEAMFREQ-UHFFFAOYSA-N 1 0 490.599 3.574 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1cc(-c2nc(C)co2)ccc1C ZINC001309594397 1070874222 /nfs/dbraw/zinc/87/42/22/1070874222.db2.gz YXLFBOQHVWZQHW-DHIUTWEWSA-N 1 0 469.607 3.774 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCOC[C@@H]1C ZINC001313665669 1070880782 /nfs/dbraw/zinc/88/07/82/1070880782.db2.gz GFKVSJCYMKVTTO-IRXDYDNUSA-N 1 0 466.424 3.575 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313664959 1070878027 /nfs/dbraw/zinc/87/80/27/1070878027.db2.gz PEGYNIBYNPJKJY-HFZDXXHNSA-N 1 0 484.693 3.578 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313664960 1070878258 /nfs/dbraw/zinc/87/82/58/1070878258.db2.gz PEGYNIBYNPJKJY-LVXARBLLSA-N 1 0 484.693 3.578 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1)c1ccco1 ZINC001313665357 1070879418 /nfs/dbraw/zinc/87/94/18/1070879418.db2.gz RHCFLZAVBUUNIQ-FQEVSTJZSA-N 1 0 460.623 3.992 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001313667686 1070889387 /nfs/dbraw/zinc/88/93/87/1070889387.db2.gz ZPZVALARFNMQPP-FPOVZHCZSA-N 1 0 478.682 3.644 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](OC)C(C)(C)C1)c1ccsc1 ZINC001313666472 1070884835 /nfs/dbraw/zinc/88/48/35/1070884835.db2.gz XEPSLADIHAYEAQ-WOJBJXKFSA-N 1 0 497.669 3.931 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001313666870 1070886356 /nfs/dbraw/zinc/88/63/56/1070886356.db2.gz VJFOTFVVUMKQES-XLIONFOSSA-N 1 0 461.680 3.650 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314710142 1070887448 /nfs/dbraw/zinc/88/74/48/1070887448.db2.gz MWVOZTLGWGYZOR-JOCHJYFZSA-N 1 0 482.673 3.708 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001313667809 1070890045 /nfs/dbraw/zinc/89/00/45/1070890045.db2.gz NDJFYULZUQYNJK-FGZHOGPDSA-N 1 0 466.634 3.637 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1)c1ccco1 ZINC001313667041 1070888098 /nfs/dbraw/zinc/88/80/98/1070888098.db2.gz ZYNWESBTBLHECI-HSZRJFAPSA-N 1 0 478.641 3.969 20 0 JHADRO CN(CC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001314710306 1070888586 /nfs/dbraw/zinc/88/85/86/1070888586.db2.gz RNASLUWELWCFJM-QFIPXVFZSA-N 1 0 452.647 3.907 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001313667688 1070890197 /nfs/dbraw/zinc/89/01/97/1070890197.db2.gz ZPZVALARFNMQPP-TZIWHRDSSA-N 1 0 478.682 3.644 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313668473 1070892096 /nfs/dbraw/zinc/89/20/96/1070892096.db2.gz PIUMWGUURUZTMD-UWVAXJGDSA-N 1 0 485.551 3.752 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001313668715 1070893233 /nfs/dbraw/zinc/89/32/33/1070893233.db2.gz SKXBMVYWKANRFH-FGZHOGPDSA-N 1 0 465.646 3.932 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001313669179 1070894521 /nfs/dbraw/zinc/89/45/21/1070894521.db2.gz TXQWONSRCDUURG-HBMCJLEFSA-N 1 0 457.619 3.601 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC001313669833 1070895510 /nfs/dbraw/zinc/89/55/10/1070895510.db2.gz DOVINDRGOOMVFQ-QHCPKHFHSA-N 1 0 461.658 3.938 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 ZINC001313671380 1070899686 /nfs/dbraw/zinc/89/96/86/1070899686.db2.gz IEFSQHGEHBNBHM-QHCPKHFHSA-N 1 0 488.702 3.537 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccco1 ZINC001313670656 1070897423 /nfs/dbraw/zinc/89/74/23/1070897423.db2.gz BBIJBGGPZRDPHF-FPOVZHCZSA-N 1 0 456.635 3.915 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(CC(C)C)C(=O)C1)c1ccccc1 ZINC001313671947 1070901717 /nfs/dbraw/zinc/90/17/17/1070901717.db2.gz DQAAKOGUQYQAJP-DEOSSOPVSA-N 1 0 475.641 3.728 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(C)=O)CC1)c1ccsc1 ZINC001313672055 1070902566 /nfs/dbraw/zinc/90/25/66/1070902566.db2.gz MHIJIFXIWJQLBS-VXKWHMMOSA-N 1 0 474.675 3.769 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(F)(F)CC1)c1ccsc1 ZINC001313672391 1070903320 /nfs/dbraw/zinc/90/33/20/1070903320.db2.gz NFQCZGCUIMMITO-IRXDYDNUSA-N 1 0 452.575 3.609 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc([C@@H]2CCCCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001314714292 1070903489 /nfs/dbraw/zinc/90/34/89/1070903489.db2.gz RZQRSUVLDGMQFP-QFIPXVFZSA-N 1 0 476.710 3.579 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 ZINC001313672924 1070905906 /nfs/dbraw/zinc/90/59/06/1070905906.db2.gz QBTPZEGRLCRBDA-BJKOFHAPSA-N 1 0 482.673 3.608 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C)c1ccco1 ZINC001313673144 1070906518 /nfs/dbraw/zinc/90/65/18/1070906518.db2.gz CNCXPFDFADUPTD-KNQAVFIVSA-N 1 0 498.603 3.729 20 0 JHADRO Cc1ccc(Br)c(CS(=O)(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC001309659884 1070908479 /nfs/dbraw/zinc/90/84/79/1070908479.db2.gz WLSCFHPYMRXLFG-FQEVSTJZSA-N 1 0 451.430 3.836 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 ZINC001313674013 1070909314 /nfs/dbraw/zinc/90/93/14/1070909314.db2.gz MEMKPPXICCXSMS-JOCHJYFZSA-N 1 0 482.032 3.745 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)OC)C1)c1ccccc1 ZINC001313671454 1070900021 /nfs/dbraw/zinc/90/00/21/1070900021.db2.gz JPUAQICCIQGIKT-YTFSRNRJSA-N 1 0 469.630 3.992 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001313671548 1070900132 /nfs/dbraw/zinc/90/01/32/1070900132.db2.gz RLSKQNKNVDDTBL-PGRDOPGGSA-N 1 0 470.691 3.786 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCSCC1)c1ccccc1 ZINC001313675884 1070918903 /nfs/dbraw/zinc/91/89/03/1070918903.db2.gz SISVFZZALTXNLT-JOCHJYFZSA-N 1 0 453.660 3.776 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)OC(C)(C)C1)c1ccccc1 ZINC001313674780 1070913656 /nfs/dbraw/zinc/91/36/56/1070913656.db2.gz XAYMQNHKIXEXHE-NHCUHLMSSA-N 1 0 468.646 3.706 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(CN2CCCC2=O)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314722082 1070919874 /nfs/dbraw/zinc/91/98/74/1070919874.db2.gz GJCAXESHMLODES-NRFANRHFSA-N 1 0 474.053 3.596 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCOC1)c1ccsc1 ZINC001313675524 1070916822 /nfs/dbraw/zinc/91/68/22/1070916822.db2.gz PARRJWHNZMOKAR-SFTDATJTSA-N 1 0 457.648 3.509 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2cnccn2)CC1)c1ccsc1 ZINC001313675775 1070918190 /nfs/dbraw/zinc/91/81/90/1070918190.db2.gz BRSIKAHAPAQIMP-NRFANRHFSA-N 1 0 468.675 3.738 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001313676308 1070920431 /nfs/dbraw/zinc/92/04/31/1070920431.db2.gz VMVJSHGTRQFQHJ-YFNKSVMNSA-N 1 0 468.690 3.816 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1)c1ccco1 ZINC001313677143 1070924372 /nfs/dbraw/zinc/92/43/72/1070924372.db2.gz IDMSEUGYZGNTKE-HXUWFJFHSA-N 1 0 470.662 3.992 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314724617 1070925826 /nfs/dbraw/zinc/92/58/26/1070925826.db2.gz KBOUOLCNWFDECI-LJQANCHMSA-N 1 0 492.571 3.819 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC001313677617 1070926290 /nfs/dbraw/zinc/92/62/90/1070926290.db2.gz KXALWUUIMAPLSA-PZUNEJSGSA-N 1 0 468.690 3.717 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1)c1ccsc1 ZINC001313678345 1070929180 /nfs/dbraw/zinc/92/91/80/1070929180.db2.gz NXMZFRZEIQYDBL-CYFREDJKSA-N 1 0 460.692 3.974 20 0 JHADRO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2ncc(Cl)n2C)cn1 ZINC001313678455 1070929460 /nfs/dbraw/zinc/92/94/60/1070929460.db2.gz DUXKNVLGAJVBGU-UHFFFAOYSA-N 1 0 480.020 3.577 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc(-c2cnccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314725640 1070930495 /nfs/dbraw/zinc/93/04/95/1070930495.db2.gz IGEMWIHMQHZQCV-KRWDZBQOSA-N 1 0 474.407 3.847 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314726207 1070933052 /nfs/dbraw/zinc/93/30/52/1070933052.db2.gz PFKFEDSNZINQQV-UHFFFAOYSA-N 1 0 493.450 3.771 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccccc1 ZINC001313681312 1070940378 /nfs/dbraw/zinc/94/03/78/1070940378.db2.gz VHDKFJAXISSNOD-HSZRJFAPSA-N 1 0 452.647 3.618 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc(Cc2ccncc2)n1CCCC[NH+]1CCOCC1 ZINC001314727204 1070937542 /nfs/dbraw/zinc/93/75/42/1070937542.db2.gz ZZRCDRBLWLNGSF-UHFFFAOYSA-N 1 0 499.457 3.775 20 0 JHADRO CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001313683464 1070944056 /nfs/dbraw/zinc/94/40/56/1070944056.db2.gz CZOFGJKEDPDOGV-HXUWFJFHSA-N 1 0 469.659 3.696 20 0 JHADRO CN(Cc1ccc(Cl)c(F)c1)c1nnc(-c2ccccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314728096 1070940880 /nfs/dbraw/zinc/94/08/80/1070940880.db2.gz NLJABJOVBIEOCC-UHFFFAOYSA-N 1 0 472.012 3.795 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(C)n2)CC1 ZINC001313691466 1070950801 /nfs/dbraw/zinc/95/08/01/1070950801.db2.gz MZSOGFMACDZDDE-AREMUKBSSA-N 1 0 470.662 3.575 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(CC)CCOCC2)CC1 ZINC001313691700 1070951946 /nfs/dbraw/zinc/95/19/46/1070951946.db2.gz UKWKACWJJUBIDV-SANMLTNESA-N 1 0 477.694 3.836 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001313693793 1070955362 /nfs/dbraw/zinc/95/53/62/1070955362.db2.gz OIGBOPJPIXTFSZ-NZQKXSOJSA-N 1 0 476.065 3.884 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCn2nc(C)cc2C)CC1 ZINC001313693854 1070955855 /nfs/dbraw/zinc/95/58/55/1070955855.db2.gz OVGNFAKFAFWQCV-UHFFFAOYSA-N 1 0 470.691 3.848 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc4cccnc43)n2CCC(=O)NC(C)C)CC1 ZINC001313694355 1070955914 /nfs/dbraw/zinc/95/59/14/1070955914.db2.gz IUELOIZHOBCQDN-UHFFFAOYSA-N 1 0 463.630 3.719 20 0 JHADRO CCn1nc(-c2nnc(N3CCC([NH+](CC)CC)CC3)n2C[C@H](OC)C(C)C)c2ccccc2c1=O ZINC001313694438 1070957361 /nfs/dbraw/zinc/95/73/61/1070957361.db2.gz DXHQITSJZBYHKY-QHCPKHFHSA-N 1 0 495.672 3.657 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2cccc(C)c2)CC1 ZINC001313694822 1070957922 /nfs/dbraw/zinc/95/79/22/1070957922.db2.gz CDTJXSOAMVMCAY-NRFANRHFSA-N 1 0 468.646 3.601 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OC)c2OC)CC1 ZINC001313694671 1070958096 /nfs/dbraw/zinc/95/80/96/1070958096.db2.gz HQRMOIGLWPSXOZ-HXUWFJFHSA-N 1 0 457.619 3.548 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 ZINC001313695353 1070959504 /nfs/dbraw/zinc/95/95/04/1070959504.db2.gz MUNLUWUKSMACHS-LJQANCHMSA-N 1 0 465.602 3.522 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001313696764 1070964341 /nfs/dbraw/zinc/96/43/41/1070964341.db2.gz IJBWFDZWVOIZJN-LJQANCHMSA-N 1 0 489.064 3.832 20 0 JHADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1Br ZINC001309767318 1070960236 /nfs/dbraw/zinc/96/02/36/1070960236.db2.gz JTKSIPHZHQEBGB-QRWLVFNGSA-N 1 0 455.393 3.918 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001313695895 1070961344 /nfs/dbraw/zinc/96/13/44/1070961344.db2.gz DHFVXPQNBVPWPT-NRFANRHFSA-N 1 0 463.573 3.900 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO2)CC1 ZINC001313696089 1070961866 /nfs/dbraw/zinc/96/18/66/1070961866.db2.gz TUFOZYFKDAXLOA-RBBKRZOGSA-N 1 0 490.693 3.882 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2ccc(OC)cc2)CC1 ZINC001313695984 1070962045 /nfs/dbraw/zinc/96/20/45/1070962045.db2.gz PSCKOTDDNHEVOL-QFIPXVFZSA-N 1 0 468.646 3.526 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001313696228 1070962630 /nfs/dbraw/zinc/96/26/30/1070962630.db2.gz FYQSYGLFYNUZOX-URXFXBBRSA-N 1 0 471.646 3.528 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2nnc(C)s2)CC1 ZINC001313696415 1070963191 /nfs/dbraw/zinc/96/31/91/1070963191.db2.gz GUQQIXXCXTVGCP-UHFFFAOYSA-N 1 0 473.622 3.709 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc([C@H](C)O)cc2)CC1 ZINC001313696450 1070963307 /nfs/dbraw/zinc/96/33/07/1070963307.db2.gz HBKRIWBJYSPBQM-IBGZPJMESA-N 1 0 496.681 3.682 20 0 JHADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc(-c2cnccn2)n1CC1([NH+](C)C)CCCC1 ZINC001314736636 1070963992 /nfs/dbraw/zinc/96/39/92/1070963992.db2.gz JRDIKQGLNVALES-UHFFFAOYSA-N 1 0 457.529 3.847 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001313697305 1070965832 /nfs/dbraw/zinc/96/58/32/1070965832.db2.gz LOUFUONLKIFFFE-LJQANCHMSA-N 1 0 464.655 3.744 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314737086 1070965897 /nfs/dbraw/zinc/96/58/97/1070965897.db2.gz KEKNAVPNHDKEDJ-UBRWKZKUSA-N 1 0 471.627 3.789 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@@H]2CCCCO2)n1CC[NH+]1CCCCCC1 ZINC001314737451 1070966469 /nfs/dbraw/zinc/96/64/69/1070966469.db2.gz MYBMDKRPXXAFLV-ICACTRECSA-N 1 0 459.660 3.770 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001313697671 1070966940 /nfs/dbraw/zinc/96/69/40/1070966940.db2.gz NSTWLKFHCLXCCR-FXAWDEMLSA-N 1 0 493.494 3.908 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2COCCO2)CC1 ZINC001313697717 1070967545 /nfs/dbraw/zinc/96/75/45/1070967545.db2.gz PGTQKYATGGVEGH-GOSISDBHSA-N 1 0 468.429 3.978 20 0 JHADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314738263 1070968893 /nfs/dbraw/zinc/96/88/93/1070968893.db2.gz ATBZCIMVCUYSPU-OAQYLSRUSA-N 1 0 496.662 3.744 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001313698875 1070971822 /nfs/dbraw/zinc/97/18/22/1070971822.db2.gz OHFKNOXABOKMTR-WOJBJXKFSA-N 1 0 488.627 3.574 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2C2CC(C(C)(C)C)C2)CC1 ZINC001313699819 1070975435 /nfs/dbraw/zinc/97/54/35/1070975435.db2.gz PHMWZOPTDKDUAS-UHFFFAOYSA-N 1 0 482.673 3.941 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNC(=O)C(C)(C)C)C1 ZINC001313701069 1070978754 /nfs/dbraw/zinc/97/87/54/1070978754.db2.gz AYHZSOFNKMNEDH-FQEVSTJZSA-N 1 0 477.657 3.824 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@@H](C)SC)CC1 ZINC001313701369 1070979379 /nfs/dbraw/zinc/97/93/79/1070979379.db2.gz SKDGHYZIRWTGQR-HXUWFJFHSA-N 1 0 495.697 3.544 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCOC2)C1 ZINC001313701237 1070980012 /nfs/dbraw/zinc/98/00/12/1070980012.db2.gz CYZADUIZUKJXNG-OPAMFIHVSA-N 1 0 468.429 3.571 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCOC2)C1 ZINC001313701236 1070980050 /nfs/dbraw/zinc/98/00/50/1070980050.db2.gz CYZADUIZUKJXNG-KSFYIVLOSA-N 1 0 468.429 3.571 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CC(C)C)nnc2N2CCC(N3CCCNC3=O)CC2)c1 ZINC001313701588 1070980678 /nfs/dbraw/zinc/98/06/78/1070980678.db2.gz ALAOYZAKTRDNEQ-UHFFFAOYSA-N 1 0 481.689 3.751 20 0 JHADRO CC(=O)N1c2ccc(S(=O)(=O)N(C)C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)cc2C[C@@H]1C ZINC001309815195 1070980814 /nfs/dbraw/zinc/98/08/14/1070980814.db2.gz MJQNWOOGZLTFLO-CVDCTZTESA-N 1 0 455.624 3.659 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001313701958 1070982109 /nfs/dbraw/zinc/98/21/09/1070982109.db2.gz CQHRZEKVYHIWEO-HXUWFJFHSA-N 1 0 480.579 3.796 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H]2c2nncn2C)c1 ZINC001313702352 1070982818 /nfs/dbraw/zinc/98/28/18/1070982818.db2.gz GKKIYSLSCKPLKB-JOCHJYFZSA-N 1 0 450.635 3.837 20 0 JHADRO CN(Cc1cccc(OC(F)F)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCCC1 ZINC001314743340 1070983520 /nfs/dbraw/zinc/98/35/20/1070983520.db2.gz LOSSAQYEDACQSL-FQEVSTJZSA-N 1 0 476.572 3.732 20 0 JHADRO CN(Cc1cccc(OC(F)F)c1)c1nnc(-c2cnccn2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314743351 1070984345 /nfs/dbraw/zinc/98/43/45/1070984345.db2.gz LRUQKEYHVJYGDM-LJQANCHMSA-N 1 0 469.496 3.869 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C3CCC3)nnc2N2CCC[C@H](CNC(C)=O)C2)cc1 ZINC001313702508 1070984784 /nfs/dbraw/zinc/98/47/84/1070984784.db2.gz BUUDKAVBEREUHI-HSZRJFAPSA-N 1 0 452.647 3.788 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(CC(=O)NC)CC2)cc1 ZINC001313702507 1070984796 /nfs/dbraw/zinc/98/47/96/1070984796.db2.gz BTQISDQFSLEPSP-UHFFFAOYSA-N 1 0 477.657 3.526 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H](Cn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1C(C)(C)C)C1CC1 ZINC001314744838 1070987159 /nfs/dbraw/zinc/98/71/59/1070987159.db2.gz QIOPQNQFDAGGHE-RBBKRZOGSA-N 1 0 452.647 3.578 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](C(=O)OC)C2)cc1 ZINC001313703234 1070986068 /nfs/dbraw/zinc/98/60/68/1070986068.db2.gz GVSRGJZLYKUCOG-XMMPIXPASA-N 1 0 476.625 3.543 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)NC(C)C)C1 ZINC001313703603 1070987379 /nfs/dbraw/zinc/98/73/79/1070987379.db2.gz ZVCIFZBJVZNGDR-OALUTQOASA-N 1 0 472.703 3.824 20 0 JHADRO CCOC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)ccc1F ZINC001309831490 1070988803 /nfs/dbraw/zinc/98/88/03/1070988803.db2.gz ZSQLEBFENBUNGT-INIZCTEOSA-N 1 0 454.589 3.515 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001313704230 1070989641 /nfs/dbraw/zinc/98/96/41/1070989641.db2.gz LNYCDXQMXAHZSH-UHFFFAOYSA-N 1 0 488.721 3.910 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cnc(C)s2)cc1 ZINC001313704893 1070990478 /nfs/dbraw/zinc/99/04/78/1070990478.db2.gz MTGIPVNHBMJYBX-OAQYLSRUSA-N 1 0 467.643 3.521 20 0 JHADRO CN(Cc1ccccc1Br)c1nnc([C@H]2CCCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314746336 1070991243 /nfs/dbraw/zinc/99/12/43/1070991243.db2.gz HWAFTUWDNUTYLR-HXUWFJFHSA-N 1 0 491.478 3.555 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCCOC1 ZINC001313704875 1070991968 /nfs/dbraw/zinc/99/19/68/1070991968.db2.gz NYAWLISAPQNFGK-ZJSXRUAMSA-N 1 0 455.647 3.925 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cc1 ZINC001313705766 1070994439 /nfs/dbraw/zinc/99/44/39/1070994439.db2.gz UWJUUJOLUQPVKH-QHCPKHFHSA-N 1 0 498.697 3.577 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001313706081 1070995640 /nfs/dbraw/zinc/99/56/40/1070995640.db2.gz XFYXFQGAEVYAKF-OAQYLSRUSA-N 1 0 480.579 3.704 20 0 JHADRO CC(C)Oc1ccc(S(=O)(=O)N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001309852900 1070995998 /nfs/dbraw/zinc/99/59/98/1070995998.db2.gz PEVRVXVRQMGDAN-JOCHJYFZSA-N 1 0 458.624 3.966 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C)c2)C1 ZINC001313707142 1070997470 /nfs/dbraw/zinc/99/74/70/1070997470.db2.gz LDOWOEXQBFXCAI-ZEQKJWHPSA-N 1 0 455.647 3.844 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CCC2)C1 ZINC001313708001 1070999540 /nfs/dbraw/zinc/99/95/40/1070999540.db2.gz QDAFPQQRDLXKOE-KRWDZBQOSA-N 1 0 462.436 3.791 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)COC)C1 ZINC001313708501 1071000069 /nfs/dbraw/zinc/00/00/69/1071000069.db2.gz XIWAIJHPYIHSPD-KRWDZBQOSA-N 1 0 481.483 3.887 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001313708801 1071000550 /nfs/dbraw/zinc/00/05/50/1071000550.db2.gz ZLIAIZVFFWBNPW-FQEVSTJZSA-N 1 0 455.651 3.886 20 0 JHADRO CCC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc(Cl)c(OCCOC)c(Cl)c2)CC1 ZINC001309868376 1071000986 /nfs/dbraw/zinc/00/09/86/1071000986.db2.gz AQHSEZMMTOMPML-UHFFFAOYSA-N 1 0 451.416 3.658 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001313710094 1071003907 /nfs/dbraw/zinc/00/39/07/1071003907.db2.gz BGVPIPWXDFJIBD-UHFFFAOYSA-N 1 0 497.047 3.637 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001313709324 1071002085 /nfs/dbraw/zinc/00/20/85/1071002085.db2.gz KUTICTAXVHQOKT-WIYYLYMNSA-N 1 0 489.064 3.593 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC=CCO2)C1 ZINC001313709646 1071003087 /nfs/dbraw/zinc/00/30/87/1071003087.db2.gz OVIVMVIKCSOHQT-VSKRKVRLSA-N 1 0 488.677 3.863 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001313710155 1071003927 /nfs/dbraw/zinc/00/39/27/1071003927.db2.gz CVKCMISBBKMABI-OAQYLSRUSA-N 1 0 459.038 3.922 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CCc3ccccc3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001313710033 1071003331 /nfs/dbraw/zinc/00/33/31/1071003331.db2.gz VAHVQLCJQFJKTE-JOCHJYFZSA-N 1 0 464.662 3.626 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001313712722 1071009266 /nfs/dbraw/zinc/00/92/66/1071009266.db2.gz SRPAGVDFUXJVMA-OAHLLOKOSA-N 1 0 453.418 3.651 20 0 JHADRO CN(Cc1ccccc1Cl)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314753257 1071006087 /nfs/dbraw/zinc/00/60/87/1071006087.db2.gz UZDZNYFLRVZFEL-LJQANCHMSA-N 1 0 480.078 3.592 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nnc(C)s2)C1 ZINC001313711635 1071006449 /nfs/dbraw/zinc/00/64/49/1071006449.db2.gz GVPPYIRORQUJFE-GOSISDBHSA-N 1 0 460.051 3.899 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313712654 1071009401 /nfs/dbraw/zinc/00/94/01/1071009401.db2.gz RCVQQKOLTDPQHP-CJAUYULYSA-N 1 0 472.703 3.826 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001313711792 1071007138 /nfs/dbraw/zinc/00/71/38/1071007138.db2.gz HDJUEZXDFDKRBW-UHFFFAOYSA-N 1 0 475.016 3.530 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001313711832 1071007597 /nfs/dbraw/zinc/00/75/97/1071007597.db2.gz IMNIGXYBSCDTRB-UHFFFAOYSA-N 1 0 457.026 3.843 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCN(C(C)=O)C2)C1 ZINC001313711902 1071007755 /nfs/dbraw/zinc/00/77/55/1071007755.db2.gz IZTBUIFYBWQOCE-BJKOFHAPSA-N 1 0 466.674 3.604 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313713078 1071009723 /nfs/dbraw/zinc/00/97/23/1071009723.db2.gz YAJSZZHMIRXNFA-UHFFFAOYSA-N 1 0 491.478 3.807 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001313712245 1071008608 /nfs/dbraw/zinc/00/86/08/1071008608.db2.gz MAEZDLITNCTTDU-UHFFFAOYSA-N 1 0 473.643 3.827 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2cnc(C)s2)C1 ZINC001313710337 1071004130 /nfs/dbraw/zinc/00/41/30/1071004130.db2.gz YWCOGJKLWVJNGW-GOSISDBHSA-N 1 0 458.607 3.978 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313713165 1071010210 /nfs/dbraw/zinc/01/02/10/1071010210.db2.gz YZMUUQQTFVNXSM-HNNXBMFYSA-N 1 0 482.398 3.578 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001313713134 1071010512 /nfs/dbraw/zinc/01/05/12/1071010512.db2.gz YSKHPZBYEXMUTA-YLJYHZDGSA-N 1 0 480.451 3.680 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313714234 1071011525 /nfs/dbraw/zinc/01/15/25/1071011525.db2.gz INISUROOLOPEIA-IBGZPJMESA-N 1 0 457.623 3.518 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001313716969 1071016480 /nfs/dbraw/zinc/01/64/80/1071016480.db2.gz BSUWUQMHMIBHOK-NRFANRHFSA-N 1 0 462.589 3.856 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313717415 1071016778 /nfs/dbraw/zinc/01/67/78/1071016778.db2.gz PKPHCPFXCYKELN-RCZVLFRGSA-N 1 0 457.619 3.918 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001313717704 1071017449 /nfs/dbraw/zinc/01/74/49/1071017449.db2.gz ISDKUBOHTRFAOI-GOSISDBHSA-N 1 0 450.027 3.961 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cccnc2)nnc1N1CCOC2(C1)CCCCCC2 ZINC001313717706 1071017645 /nfs/dbraw/zinc/01/76/45/1071017645.db2.gz ISZIFLDGJHLGSO-UHFFFAOYSA-N 1 0 456.635 3.628 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001313717744 1071017836 /nfs/dbraw/zinc/01/78/36/1071017836.db2.gz RGEMORLTPRWYBA-HXUWFJFHSA-N 1 0 486.615 3.929 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1 ZINC001313718052 1071018197 /nfs/dbraw/zinc/01/81/97/1071018197.db2.gz VDYKHAGHVIVKGA-RTWAWAEBSA-N 1 0 478.682 3.801 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314762306 1071019713 /nfs/dbraw/zinc/01/97/13/1071019713.db2.gz LPQBKJBUVPZATR-MAUKXSAKSA-N 1 0 497.591 3.925 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001313719043 1071019773 /nfs/dbraw/zinc/01/97/73/1071019773.db2.gz MXBGXSIWZNERBK-NRFANRHFSA-N 1 0 478.682 3.645 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001313719633 1071020841 /nfs/dbraw/zinc/02/08/41/1071020841.db2.gz BZPHHUBUYBRITJ-APWZRJJASA-N 1 0 468.415 3.860 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(CC2CCCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314763056 1071021764 /nfs/dbraw/zinc/02/17/64/1071021764.db2.gz PQWUSHFGNHXQKY-OAQYLSRUSA-N 1 0 485.624 3.837 20 0 JHADRO CN(Cc1cnn(Cc2ccccc2)c1)c1nnc(C(C)(C)C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314763698 1071023152 /nfs/dbraw/zinc/02/31/52/1071023152.db2.gz ZVMJMJXGIWULNK-RUZDIDTESA-N 1 0 467.687 3.894 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001313721283 1071023237 /nfs/dbraw/zinc/02/32/37/1071023237.db2.gz JBQRKWDPAVTORJ-HXUWFJFHSA-N 1 0 498.672 3.531 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001313721814 1071025217 /nfs/dbraw/zinc/02/52/17/1071025217.db2.gz RRNJVSIAOKIBJE-NQIIRXRSSA-N 1 0 481.645 3.940 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001313722326 1071026225 /nfs/dbraw/zinc/02/62/25/1071026225.db2.gz WDDZYGZDLDBPEI-KZNAEPCWSA-N 1 0 480.451 3.678 20 0 JHADRO CN(Cc1ccoc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314764573 1071025495 /nfs/dbraw/zinc/02/54/95/1071025495.db2.gz FNZWOIANBZHYPD-QGZVFWFLSA-N 1 0 451.556 3.519 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001313723191 1071028731 /nfs/dbraw/zinc/02/87/31/1071028731.db2.gz CREYFCGHBFWUGL-MRXNPFEDSA-N 1 0 450.578 3.950 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 ZINC001313723712 1071029286 /nfs/dbraw/zinc/02/92/86/1071029286.db2.gz LWGHXEHEYSPQKI-LJQANCHMSA-N 1 0 472.037 3.947 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001313723975 1071029712 /nfs/dbraw/zinc/02/97/12/1071029712.db2.gz YNQNZFJMTPTAIF-LJQANCHMSA-N 1 0 479.604 3.608 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001313723906 1071029765 /nfs/dbraw/zinc/02/97/65/1071029765.db2.gz XFNDEIDQICEMKH-IRLDBZIGSA-N 1 0 458.651 3.568 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC001313724109 1071030010 /nfs/dbraw/zinc/03/00/10/1071030010.db2.gz NNBHBLAGSROFGC-ISKFKSNPSA-N 1 0 495.716 3.525 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC001313724253 1071030185 /nfs/dbraw/zinc/03/01/85/1071030185.db2.gz MVPJGVKDTPMNIM-WIYYLYMNSA-N 1 0 483.617 3.768 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001313724884 1071031480 /nfs/dbraw/zinc/03/14/80/1071031480.db2.gz SXFHCMGPLIUUEO-TUNNFDKTSA-N 1 0 490.718 3.941 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313722456 1071026720 /nfs/dbraw/zinc/02/67/20/1071026720.db2.gz AZTXUQRCQRKOFP-GOSISDBHSA-N 1 0 492.615 3.972 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCCN(C(C)=O)CC1 ZINC001313722503 1071026913 /nfs/dbraw/zinc/02/69/13/1071026913.db2.gz CVXBFEVQNUKRGC-HXUWFJFHSA-N 1 0 463.630 3.591 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccccc2OC)CC1 ZINC001313722782 1071027385 /nfs/dbraw/zinc/02/73/85/1071027385.db2.gz CIOZKPDQWKHLKM-JOCHJYFZSA-N 1 0 477.657 3.710 20 0 JHADRO CN(Cc1ccsc1)c1nnc(COc2ccc(F)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314769334 1071031489 /nfs/dbraw/zinc/03/14/89/1071031489.db2.gz KFUOLCFAAMGSCL-UHFFFAOYSA-N 1 0 472.634 3.720 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001313722895 1071027909 /nfs/dbraw/zinc/02/79/09/1071027909.db2.gz HVYRNKVUYICGCD-RCCFBDPRSA-N 1 0 458.676 3.529 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001313724534 1071031056 /nfs/dbraw/zinc/03/10/56/1071031056.db2.gz SLMUZUWVYQKIJN-LJQANCHMSA-N 1 0 496.631 3.911 20 0 JHADRO CN(Cc1csc(Br)c1)c1nnc([C@H]2CCCO2)n1CC[NH+]1CCSCC1 ZINC001314766387 1071028218 /nfs/dbraw/zinc/02/82/18/1071028218.db2.gz QLYYHCLQZKVQMF-OAHLLOKOSA-N 1 0 472.478 3.639 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001313726969 1071036189 /nfs/dbraw/zinc/03/61/89/1071036189.db2.gz JBCUJIKVBXQOLG-JOCHJYFZSA-N 1 0 482.673 3.877 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001313726600 1071035088 /nfs/dbraw/zinc/03/50/88/1071035088.db2.gz CBCKLSKNRDRDAT-OFNKIYASSA-N 1 0 469.609 3.587 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCOC3(C2)CCCCCC3)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313726800 1071035661 /nfs/dbraw/zinc/03/56/61/1071035661.db2.gz QFRWZGHXEVQWIF-GJZUVCINSA-N 1 0 477.694 3.979 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCc3cc(F)ccc3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313726748 1071035747 /nfs/dbraw/zinc/03/57/47/1071035747.db2.gz PXFDVUHSELYHEJ-CLOONOSVSA-N 1 0 459.610 3.751 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001313727476 1071037257 /nfs/dbraw/zinc/03/72/57/1071037257.db2.gz AXDIGYWRCZFZMW-TVZXLZGTSA-N 1 0 455.647 3.568 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1CCCC1 ZINC001314771968 1071037590 /nfs/dbraw/zinc/03/75/90/1071037590.db2.gz PPEMGSGEORKBSY-OAHLLOKOSA-N 1 0 458.554 3.770 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001313727729 1071037739 /nfs/dbraw/zinc/03/77/39/1071037739.db2.gz DYKGJTWKYCVYFK-IEBWSBKVSA-N 1 0 473.647 3.745 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(COc2ccccc2F)n1CC[N@H+](C)C1CCCC1 ZINC001314773075 1071040500 /nfs/dbraw/zinc/04/05/00/1071040500.db2.gz MVWMUZDTPIJEDB-UHFFFAOYSA-N 1 0 476.000 3.894 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313728743 1071040603 /nfs/dbraw/zinc/04/06/03/1071040603.db2.gz VEKRFPZNMIWLPE-HBFSDRIKSA-N 1 0 453.553 3.950 20 0 JHADRO CN(Cc1nccs1)c1nnc(-c2ccc(Br)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314773081 1071040717 /nfs/dbraw/zinc/04/07/17/1071040717.db2.gz MXZVPSFUJSQAPF-UHFFFAOYSA-N 1 0 491.459 3.911 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc([C@H]2CCCO2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314773093 1071040961 /nfs/dbraw/zinc/04/09/61/1071040961.db2.gz NHFHCHGNHRNBBS-ZWKOTPCHSA-N 1 0 450.031 3.663 20 0 JHADRO C[C@H]1C[C@@H](CCNC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC001309993692 1071043324 /nfs/dbraw/zinc/04/33/24/1071043324.db2.gz KJFFACQMGLUKFN-PZJWPPBQSA-N 1 0 456.612 3.649 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313731406 1071047169 /nfs/dbraw/zinc/04/71/69/1071047169.db2.gz LAMAAKLSYAKXGF-BQFCYCMXSA-N 1 0 495.093 3.858 20 0 JHADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001309997889 1071047349 /nfs/dbraw/zinc/04/73/49/1071047349.db2.gz RYCJNIYCZSPWHN-JOCHJYFZSA-N 1 0 456.612 3.647 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCCCO2)n1CCCC[NH+]1CCOCC1 ZINC001313731627 1071047523 /nfs/dbraw/zinc/04/75/23/1071047523.db2.gz UVBXOIWCBLBVFX-QFIPXVFZSA-N 1 0 463.573 3.937 20 0 JHADRO CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC001310004695 1071052522 /nfs/dbraw/zinc/05/25/22/1071052522.db2.gz JRNHSNMUNMMVNG-FQEVSTJZSA-N 1 0 452.665 3.966 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(CNC(=O)c2cccs2)n1CCC[NH+]1CCCCC1 ZINC001314782116 1071057346 /nfs/dbraw/zinc/05/73/46/1071057346.db2.gz MLBZFTMPEOPDNT-UHFFFAOYSA-N 1 0 466.602 3.627 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001313734240 1071054295 /nfs/dbraw/zinc/05/42/95/1071054295.db2.gz NWQDSOMWTVWHHQ-SIKLNZKXSA-N 1 0 456.610 3.907 20 0 JHADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001313738492 1071062705 /nfs/dbraw/zinc/06/27/05/1071062705.db2.gz UKBIPUTVJODJKD-JNMBUGSCSA-N 1 0 498.672 3.783 20 0 JHADRO CCN(CC)C(=O)c1ccc(NC(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC001310015057 1071059538 /nfs/dbraw/zinc/05/95/38/1071059538.db2.gz GAYVCHTXNPOVJU-UHFFFAOYSA-N 1 0 457.663 3.829 20 0 JHADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2)C[C@H]1C ZINC001310019146 1071063989 /nfs/dbraw/zinc/06/39/89/1071063989.db2.gz XNQPZSBJZUJUOW-WOJBJXKFSA-N 1 0 452.599 3.719 20 0 JHADRO CCN(Cc1ccc(OC)cc1OC)c1nnc(-c2ccccn2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313737701 1071060781 /nfs/dbraw/zinc/06/07/81/1071060781.db2.gz LODBBYICWRNSCT-UHFFFAOYSA-N 1 0 494.640 3.619 20 0 JHADRO CN(C[C@H]1CC=CCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314789504 1071066665 /nfs/dbraw/zinc/06/66/65/1071066665.db2.gz YYHJDWUQVNBXRP-PMACEKPBSA-N 1 0 451.619 3.838 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)[NH+](C)C ZINC001313742751 1071069466 /nfs/dbraw/zinc/06/94/66/1071069466.db2.gz UNBLOSGLJQQWJN-GOSISDBHSA-N 1 0 469.659 3.523 20 0 JHADRO CN(C[C@@H]1CC=CCC1)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314790602 1071068122 /nfs/dbraw/zinc/06/81/22/1071068122.db2.gz PMBQYFMXIKPVOK-DENIHFKCSA-N 1 0 454.594 3.635 20 0 JHADRO C[C@H](CCNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)[NH+]1CCCCC1 ZINC001310043448 1071080539 /nfs/dbraw/zinc/08/05/39/1071080539.db2.gz RECMUNSLYKURQT-HSALFYBXSA-N 1 0 450.649 3.739 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001313750558 1071082895 /nfs/dbraw/zinc/08/28/95/1071082895.db2.gz NJJQPZCGXPWGEI-IBGZPJMESA-N 1 0 459.545 3.791 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001313750778 1071083996 /nfs/dbraw/zinc/08/39/96/1071083996.db2.gz CBXNAOUCADLZDL-FQEVSTJZSA-N 1 0 481.645 3.843 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[N@H+]1CC=CCC1 ZINC001313750924 1071084634 /nfs/dbraw/zinc/08/46/34/1071084634.db2.gz AYLJZWHANMQBNP-LJQANCHMSA-N 1 0 453.566 3.579 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc(Cc2ccccn2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314802515 1071084911 /nfs/dbraw/zinc/08/49/11/1071084911.db2.gz MPDQJYYFNKEZCB-XZOQPEGZSA-N 1 0 452.578 3.711 20 0 JHADRO CN(C[C@H]1CCCN(c2nnc(CC3CC3)n2CC[NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC001314802943 1071085931 /nfs/dbraw/zinc/08/59/31/1071085931.db2.gz GHRITSTXEIDQFG-OAQYLSRUSA-N 1 0 460.667 3.800 20 0 JHADRO CCN(Cc1cccs1)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001313751937 1071088029 /nfs/dbraw/zinc/08/80/29/1071088029.db2.gz JGKFRFNHYRBJDA-QHCPKHFHSA-N 1 0 473.668 3.734 20 0 JHADRO Cc1cc(NC(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)ccc1N1CC[NH+](C)CC1 ZINC001310060289 1071091598 /nfs/dbraw/zinc/09/15/98/1071091598.db2.gz QUQNRQLFYHPYGQ-YADHBBJMSA-N 1 0 457.619 3.753 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(-c2ccccc2Br)n1CC1([NH+](C)C)CCOCC1 ZINC001314807806 1071097465 /nfs/dbraw/zinc/09/74/65/1071097465.db2.gz WOBDGPOOCCHIDV-GOSISDBHSA-N 1 0 492.462 3.681 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(Cl)c2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314807659 1071097483 /nfs/dbraw/zinc/09/74/83/1071097483.db2.gz VKICHQYWPADJSN-SIKLNZKXSA-N 1 0 462.038 3.698 20 0 JHADRO CN(CC1CCN(c2nnc(C3CCC3)n2CCCC[NH+]2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC001314811308 1071105045 /nfs/dbraw/zinc/10/50/45/1071105045.db2.gz ISJMVKIKBYECFQ-UHFFFAOYSA-N 1 0 490.693 3.741 20 0 JHADRO CCn1cc(NC(=O)NCC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001310099214 1071117096 /nfs/dbraw/zinc/11/70/96/1071117096.db2.gz DPRXQHKGCWMUTP-UHFFFAOYSA-N 1 0 456.591 3.584 20 0 JHADRO CN(CC1CCOCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001314818464 1071128580 /nfs/dbraw/zinc/12/85/80/1071128580.db2.gz ODHMKDUNPFAYBQ-OYRHEFFESA-N 1 0 490.693 3.786 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001314818936 1071130843 /nfs/dbraw/zinc/13/08/43/1071130843.db2.gz GRIYBASOCLSLPI-NHCUHLMSSA-N 1 0 477.694 3.906 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(Cc2ccncc2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001313777900 1071137029 /nfs/dbraw/zinc/13/70/29/1071137029.db2.gz OZQMSRZYDJKURS-DHIUTWEWSA-N 1 0 452.578 3.711 20 0 JHADRO CN(CCC(F)F)c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1CCC(O)CC1 ZINC001314823792 1071145738 /nfs/dbraw/zinc/14/57/38/1071145738.db2.gz TYROBYYALAUYNT-UHFFFAOYSA-N 1 0 478.407 3.707 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1CC ZINC001313782719 1071148559 /nfs/dbraw/zinc/14/85/59/1071148559.db2.gz KAKUNYWVGPMXRI-HBMCJLEFSA-N 1 0 476.666 3.840 20 0 JHADRO CN(CCC(F)(F)F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314826636 1071150722 /nfs/dbraw/zinc/15/07/22/1071150722.db2.gz HFFCWRQWNOFTSX-QZTJIDSGSA-N 1 0 474.616 3.611 20 0 JHADRO CN(CCC(F)F)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC[NH+]1CCOCC1 ZINC001314827817 1071154062 /nfs/dbraw/zinc/15/40/62/1071154062.db2.gz PDSQIJMXIVVNFL-SFHVURJKSA-N 1 0 486.608 3.554 20 0 JHADRO CCN(C[C@H]1COc2ccccc2O1)c1nnc(CC(C)(C)C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313784218 1071154699 /nfs/dbraw/zinc/15/46/99/1071154699.db2.gz CNNBYQBLWDFFIS-NRFANRHFSA-N 1 0 485.673 3.768 20 0 JHADRO O=C(Nc1cccc(COCCOc2ccccc2)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC001310143256 1071152237 /nfs/dbraw/zinc/15/22/37/1071152237.db2.gz VLNFVGKAWYVCMF-UHFFFAOYSA-N 1 0 453.583 3.858 20 0 JHADRO CCN(C[C@@H]1COc2ccccc2O1)c1nnc(CC(C)(C)C)n1CC[NH+]1CCSCC1 ZINC001313783966 1071153224 /nfs/dbraw/zinc/15/32/24/1071153224.db2.gz BTVHTCSIWWRSBQ-LJQANCHMSA-N 1 0 459.660 3.582 20 0 JHADRO CN(CCc1ccc(Cl)cc1)c1nnc([C@H]2CCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314829071 1071158238 /nfs/dbraw/zinc/15/82/38/1071158238.db2.gz OZHROGBNKLOAGQ-AVRDEDQJSA-N 1 0 450.052 3.552 20 0 JHADRO CN(CCc1ccc(Cl)cc1)c1nnc([C@@H]2CCOC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314829074 1071158320 /nfs/dbraw/zinc/15/83/20/1071158320.db2.gz OZHROGBNKLOAGQ-XMSQKQJNSA-N 1 0 450.052 3.552 20 0 JHADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1nc(-c2ccccc2)ns1 ZINC001310163979 1071170713 /nfs/dbraw/zinc/17/07/13/1071170713.db2.gz WUSKFKOOIYRDBF-UHFFFAOYSA-N 1 0 450.612 3.925 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC[N@@H+](C3CC3)C2)C1)CC(F)(F)F ZINC001313788254 1071173614 /nfs/dbraw/zinc/17/36/14/1071173614.db2.gz QTDTVUQDJRRZKG-ZWKOTPCHSA-N 1 0 456.601 3.770 20 0 JHADRO CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001313790739 1071184602 /nfs/dbraw/zinc/18/46/02/1071184602.db2.gz RZEPSHSIBQSDGQ-UNMCSNQZSA-N 1 0 452.647 3.809 20 0 JHADRO CN(CCC1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001314841088 1071188900 /nfs/dbraw/zinc/18/89/00/1071188900.db2.gz JFQHBUDGWUGULS-UHFFFAOYSA-N 1 0 462.038 3.962 20 0 JHADRO 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CN(CCn1cccn1)c1nnc(-c2cc(F)ccc2Br)n1CC1([NH+](C)C)CCC1 ZINC001314867668 1071274374 /nfs/dbraw/zinc/27/43/74/1071274374.db2.gz DHVMQYKQVJFMAC-UHFFFAOYSA-N 1 0 476.398 3.664 20 0 JHADRO CC[N@H+](CCn1c(CC2CC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)CCC(F)(F)F ZINC001313819403 1071273519 /nfs/dbraw/zinc/27/35/19/1071273519.db2.gz KUZZDBXNUUVTPJ-UHFFFAOYSA-N 1 0 488.599 3.998 20 0 JHADRO C[N@H+](CCn1c(N2C[C@]3(CCOC3)OC(C)(C)C2)nnc1C(C)(C)C)Cc1ccc(F)cc1 ZINC001314867456 1071273757 /nfs/dbraw/zinc/27/37/57/1071273757.db2.gz ZFVCOVMWYUBJFI-VWLOTQADSA-N 1 0 459.610 3.621 20 0 JHADRO CN(CCn1cccn1)c1nnc(-c2ccc(Br)s2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314867940 1071276059 /nfs/dbraw/zinc/27/60/59/1071276059.db2.gz HBMNCRHLPMMLJS-OAHLLOKOSA-N 1 0 490.431 3.998 20 0 JHADRO CC[N@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1)C(C)C ZINC001313820280 1071277360 /nfs/dbraw/zinc/27/73/60/1071277360.db2.gz OHNNBEAQUHGLOU-GOSISDBHSA-N 1 0 464.010 3.630 20 0 JHADRO CC[N@H+](CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C ZINC001313820959 1071280561 /nfs/dbraw/zinc/28/05/61/1071280561.db2.gz YXGCWRIPDAVEHM-OAQYLSRUSA-N 1 0 484.645 3.526 20 0 JHADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001310297557 1071281042 /nfs/dbraw/zinc/28/10/42/1071281042.db2.gz ICMGQDOOHJDJAI-UHFFFAOYSA-N 1 0 459.635 3.728 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccccn2)nnc1N1CCOC2(CCCC2)C1)CCC(F)(F)F ZINC001313821406 1071282419 /nfs/dbraw/zinc/28/24/19/1071282419.db2.gz WBNMSTXHQONUKI-UHFFFAOYSA-N 1 0 466.552 3.688 20 0 JHADRO CC[N@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[C@H]21)CCC(F)(F)F ZINC001313822259 1071285527 /nfs/dbraw/zinc/28/55/27/1071285527.db2.gz NIXUYMJJCLRVDI-HZPDHXFCSA-N 1 0 470.565 3.533 20 0 JHADRO CC[N@H+](CCn1c(COc2cccc(C)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1)C(C)C ZINC001313821876 1071283995 /nfs/dbraw/zinc/28/39/95/1071283995.db2.gz HRFVTSOATPGENS-UHFFFAOYSA-N 1 0 499.729 3.899 20 0 JHADRO CC[N@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(F)(F)F)CC1)C1CC1 ZINC001313822279 1071285265 /nfs/dbraw/zinc/28/52/65/1071285265.db2.gz NYAFSYUIJBIWJA-UHFFFAOYSA-N 1 0 453.557 3.793 20 0 JHADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC001310304151 1071286671 /nfs/dbraw/zinc/28/66/71/1071286671.db2.gz XHRGVLVGBLIANR-OAQYLSRUSA-N 1 0 459.612 3.671 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(-c2cnccn2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001314877243 1071295259 /nfs/dbraw/zinc/29/52/59/1071295259.db2.gz IPUJYTKWJGDLNZ-HXUWFJFHSA-N 1 0 453.591 3.807 20 0 JHADRO CC[N@H+](CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1)C(C)C ZINC001313826967 1071298018 /nfs/dbraw/zinc/29/80/18/1071298018.db2.gz PSKYBSNNDCPKJW-XMMPIXPASA-N 1 0 482.673 3.701 20 0 JHADRO O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001310318861 1071301295 /nfs/dbraw/zinc/30/12/95/1071301295.db2.gz QHRAGLUZALQFEL-PMACEKPBSA-N 1 0 451.493 3.781 20 0 JHADRO CN(CCOc1cccc(Cl)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314881796 1071307262 /nfs/dbraw/zinc/30/72/62/1071307262.db2.gz GSWUGSXXLKXQCM-RBUKOAKNSA-N 1 0 489.045 3.762 20 0 JHADRO CCCNS(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)cc1 ZINC001310321967 1071304981 /nfs/dbraw/zinc/30/49/81/1071304981.db2.gz YUTZSNQKSUCMAW-HSZRJFAPSA-N 1 0 458.628 3.749 20 0 JHADRO CCCNS(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)cc1 ZINC001310321968 1071305190 /nfs/dbraw/zinc/30/51/90/1071305190.db2.gz YUTZSNQKSUCMAW-QHCPKHFHSA-N 1 0 458.628 3.749 20 0 JHADRO CN(CCOc1ccccc1Cl)c1nnc(-c2cccnc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314881330 1071305620 /nfs/dbraw/zinc/30/56/20/1071305620.db2.gz COMCDNWVDNHRCY-UHFFFAOYSA-N 1 0 484.048 3.535 20 0 JHADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(Br)cnc3OCC(F)(F)F)C2)C1 ZINC001310322933 1071306374 /nfs/dbraw/zinc/30/63/74/1071306374.db2.gz KLKFIVCLXCVVJW-MRXNPFEDSA-N 1 0 451.287 3.735 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3C[C@H](C)[NH+](C)C)CCO2)cn1 ZINC001313833823 1071309335 /nfs/dbraw/zinc/30/93/35/1071309335.db2.gz ZNMAHLQJKGLRIO-PTLVVNQVSA-N 1 0 481.645 3.779 20 0 JHADRO CN(CCOc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314883205 1071310303 /nfs/dbraw/zinc/31/03/03/1071310303.db2.gz ZSJPGTKYOFHOBJ-JOCHJYFZSA-N 1 0 486.636 3.679 20 0 JHADRO CN(CCOc1cccc(Cl)c1)c1nnc(-c2cnn(C)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314883105 1071310318 /nfs/dbraw/zinc/31/03/18/1071310318.db2.gz SWEYVJWQSPWLIO-OAQYLSRUSA-N 1 0 472.037 3.968 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H](C)[NH+]3CCC(C)CC3)CCO2)cn1 ZINC001313835486 1071313553 /nfs/dbraw/zinc/31/35/53/1071313553.db2.gz PWPSCUNXGDLWHV-IFMALSPDSA-N 1 0 457.667 3.781 20 0 JHADRO CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001310336398 1071318498 /nfs/dbraw/zinc/31/84/98/1071318498.db2.gz CWBMGLKCMYEDTO-UHFFFAOYSA-N 1 0 450.649 3.883 20 0 JHADRO CCn1cc(CN(C)c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+]2CCC[C@@H]2C)cn1 ZINC001313836997 1071318681 /nfs/dbraw/zinc/31/86/81/1071318681.db2.gz PSWYWOVWKJEBJD-KRWDZBQOSA-N 1 0 458.010 3.944 20 0 JHADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCO1 ZINC001314892816 1071322681 /nfs/dbraw/zinc/32/26/81/1071322681.db2.gz KWVHWMMARCNJSG-IEIRFRATSA-N 1 0 457.667 3.689 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccc(N2CCSCC2)cc1 ZINC001310345665 1071327911 /nfs/dbraw/zinc/32/79/11/1071327911.db2.gz PHCBAWMGYSYUGP-ZJSXRUAMSA-N 1 0 454.640 3.898 20 0 JHADRO Cn1cc(Br)cc1-c1nnc(N2CCOC(C)(C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314896115 1071330028 /nfs/dbraw/zinc/33/00/28/1071330028.db2.gz VTXNOQGFBSZRHQ-UHFFFAOYSA-N 1 0 479.467 3.783 20 0 JHADRO Cc1ccc(NC(=O)NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c(OCC[NH+](C)C)c1 ZINC001310353179 1071332276 /nfs/dbraw/zinc/33/22/76/1071332276.db2.gz XLLNPGWXFFEXAU-SFHVURJKSA-N 1 0 453.505 3.927 20 0 JHADRO Cn1cc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2ccccc2OC(F)(F)F)cn1 ZINC001314902100 1071338657 /nfs/dbraw/zinc/33/86/57/1071338657.db2.gz QLJXRRUADYNJLX-UHFFFAOYSA-N 1 0 477.535 3.936 20 0 JHADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2I)CCN1c1cc[nH+]cc1 ZINC001310361936 1071339249 /nfs/dbraw/zinc/33/92/49/1071339249.db2.gz CSFIMFCAGJZJCQ-LLVKDONJSA-N 1 0 458.250 3.707 20 0 JHADRO Cn1cc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCCNC(=O)OC(C)(C)C)cn1 ZINC001314903943 1071342100 /nfs/dbraw/zinc/34/21/00/1071342100.db2.gz FSBSRJGMTFPFJO-UHFFFAOYSA-N 1 0 488.681 3.542 20 0 JHADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC(c2ccc(OC)cn2)CC1 ZINC001310365617 1071342208 /nfs/dbraw/zinc/34/22/08/1071342208.db2.gz ZUNKXGDDICMYOA-UHFFFAOYSA-N 1 0 453.587 3.652 20 0 JHADRO CNC(=O)c1cc(Oc2ccccc2NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)ccn1 ZINC001310367248 1071344273 /nfs/dbraw/zinc/34/42/73/1071344273.db2.gz DIBFBQKRQIHJNK-OAQYLSRUSA-N 1 0 451.502 3.797 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001310369241 1071345525 /nfs/dbraw/zinc/34/55/25/1071345525.db2.gz CGDGRWLGWPGADV-WJOKGBTCSA-N 1 0 455.502 3.592 20 0 JHADRO COC(=O)C(C)(C)c1ccc(NC(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC001310369448 1071346235 /nfs/dbraw/zinc/34/62/35/1071346235.db2.gz ANIJTWNMQFWEPM-UHFFFAOYSA-N 1 0 458.647 3.797 20 0 JHADRO COC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1C(=O)OC ZINC001310380695 1071354995 /nfs/dbraw/zinc/35/49/95/1071354995.db2.gz PTRGLGRUQSIKJN-OAQYLSRUSA-N 1 0 453.539 3.682 20 0 JHADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC001310374593 1071350252 /nfs/dbraw/zinc/35/02/52/1071350252.db2.gz YQZTYEHLBORIAY-QFIPXVFZSA-N 1 0 458.628 3.797 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC=CO2)C[C@@H]1C ZINC001313858547 1071359371 /nfs/dbraw/zinc/35/93/71/1071359371.db2.gz BNCPNFLKEUGBLV-CMKODMSKSA-N 1 0 471.602 3.583 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC=CO2)C[C@H]1C ZINC001313858549 1071360807 /nfs/dbraw/zinc/36/08/07/1071360807.db2.gz BNCPNFLKEUGBLV-WSTZPKSXSA-N 1 0 471.602 3.583 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001314918010 1071361041 /nfs/dbraw/zinc/36/10/41/1071361041.db2.gz SJONYINYTBRLRZ-HSZRJFAPSA-N 1 0 476.547 3.654 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2CCCO[C@@H]2CCOC2)C[C@@H]1C ZINC001313859613 1071365890 /nfs/dbraw/zinc/36/58/90/1071365890.db2.gz HCPUWXUTIMJDKT-YESZJQIVSA-N 1 0 498.491 3.884 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCCO[C@H]2CCOC2)C[C@H]1C ZINC001313859495 1071364627 /nfs/dbraw/zinc/36/46/27/1071364627.db2.gz GVJPSGMULORWBD-LQWHRVPQSA-N 1 0 492.462 3.822 20 0 JHADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001314922401 1071365422 /nfs/dbraw/zinc/36/54/22/1071365422.db2.gz CZOORFCLEPQZFK-GBXCKJPGSA-N 1 0 495.590 3.857 20 0 JHADRO 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481.563 3.852 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001313904689 1071519212 /nfs/dbraw/zinc/51/92/12/1071519212.db2.gz KNIAXAHTVPYQPJ-UXPWSPDFSA-N 1 0 462.436 3.789 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313904687 1071519234 /nfs/dbraw/zinc/51/92/34/1071519234.db2.gz RYKQVMUSSQLJRG-UXHICEINSA-N 1 0 451.537 3.705 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001313905066 1071520544 /nfs/dbraw/zinc/52/05/44/1071520544.db2.gz SQSAQHGNHXWBGI-DHIUTWEWSA-N 1 0 482.673 3.651 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001313904835 1071519828 /nfs/dbraw/zinc/51/98/28/1071519828.db2.gz VDPDBEJDOQXXOP-FQEVSTJZSA-N 1 0 475.081 3.877 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313906746 1071526019 /nfs/dbraw/zinc/52/60/19/1071526019.db2.gz ZQNBKOXTHYJDCF-OAQYLSRUSA-N 1 0 489.462 3.641 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313906598 1071525094 /nfs/dbraw/zinc/52/50/94/1071525094.db2.gz ZWNZVJCNTUJANM-YADHBBJMSA-N 1 0 498.672 3.830 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315001812 1071525325 /nfs/dbraw/zinc/52/53/25/1071525325.db2.gz ODYTVSLACNKQPO-FGZHOGPDSA-N 1 0 466.674 3.536 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001313906896 1071525666 /nfs/dbraw/zinc/52/56/66/1071525666.db2.gz SQAZGBYVXAGQFO-PTUXOGIPSA-N 1 0 468.646 3.883 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 ZINC001313905720 1071522002 /nfs/dbraw/zinc/52/20/02/1071522002.db2.gz QWFPYRFIMWGEOB-JMJGKCIBSA-N 1 0 459.610 3.818 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001313905640 1071522082 /nfs/dbraw/zinc/52/20/82/1071522082.db2.gz PXBGPIFCBYFOKS-KCZVDYSFSA-N 1 0 488.702 3.552 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001315000625 1071522293 /nfs/dbraw/zinc/52/22/93/1071522293.db2.gz FEPJBLNTAGBXFZ-OAQYLSRUSA-N 1 0 459.038 3.681 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C)CC1 ZINC001313907309 1071527541 /nfs/dbraw/zinc/52/75/41/1071527541.db2.gz BQBCZXQUEGZIAR-CTNGQTDRSA-N 1 0 459.660 3.849 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C)C1 ZINC001313907571 1071528034 /nfs/dbraw/zinc/52/80/34/1071528034.db2.gz IHTGNJGKXGLKEC-DOTOQJQBSA-N 1 0 466.399 3.946 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C)C1 ZINC001313907586 1071528090 /nfs/dbraw/zinc/52/80/90/1071528090.db2.gz IJYPXCHMNSUCIE-WMZOPIPTSA-N 1 0 478.435 3.816 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313908210 1071529581 /nfs/dbraw/zinc/52/95/81/1071529581.db2.gz BLVSRNBTDSNQCE-UYAOXDASSA-N 1 0 470.643 3.749 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313908380 1071530244 /nfs/dbraw/zinc/53/02/44/1071530244.db2.gz NEJZCKWEOSUXMK-UYAOXDASSA-N 1 0 486.642 3.566 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 ZINC001313910819 1071536363 /nfs/dbraw/zinc/53/63/63/1071536363.db2.gz HNBYUAFBMOTZEG-NJYVYQBISA-N 1 0 476.666 3.697 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313909356 1071532547 /nfs/dbraw/zinc/53/25/47/1071532547.db2.gz OLCSTLUVVXRKOO-GOTSBHOMSA-N 1 0 497.688 3.832 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313910822 1071536406 /nfs/dbraw/zinc/53/64/06/1071536406.db2.gz HNOVPCCEPMKGKB-FGZHOGPDSA-N 1 0 470.637 3.623 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCOC ZINC001313910150 1071534625 /nfs/dbraw/zinc/53/46/25/1071534625.db2.gz VLFIKSYZFWRUIP-GOSISDBHSA-N 1 0 450.425 3.973 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313910586 1071535740 /nfs/dbraw/zinc/53/57/40/1071535740.db2.gz XCUCBWOOZDRONH-NHCUHLMSSA-N 1 0 456.635 3.710 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001313911490 1071537753 /nfs/dbraw/zinc/53/77/53/1071537753.db2.gz CHLSRIBOPHIKRH-MOPGFXCFSA-N 1 0 458.611 3.702 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccccc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001315019787 1071539187 /nfs/dbraw/zinc/53/91/87/1071539187.db2.gz BZTKYGVDFYBBDU-IBVKSMDESA-N 1 0 452.647 3.808 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313912178 1071539556 /nfs/dbraw/zinc/53/95/56/1071539556.db2.gz MUIRNYBLPMQMCE-NJDAHSKKSA-N 1 0 476.666 3.840 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001313912385 1071540159 /nfs/dbraw/zinc/54/01/59/1071540159.db2.gz IKCMVSCOLMCGDK-QFIPXVFZSA-N 1 0 451.619 3.718 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313912677 1071540521 /nfs/dbraw/zinc/54/05/21/1071540521.db2.gz WJTWIFMWPYQEKE-NRFANRHFSA-N 1 0 461.614 3.906 20 0 JHADRO CCN1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1=O ZINC001313912900 1071541118 /nfs/dbraw/zinc/54/11/18/1071541118.db2.gz ICOZXDIMVXUQBA-REWPJTCUSA-N 1 0 486.636 3.736 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(C)(C)C ZINC001313914660 1071548049 /nfs/dbraw/zinc/54/80/49/1071548049.db2.gz SOPJWAYSXHZGMF-NRFANRHFSA-N 1 0 454.667 3.809 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1=O ZINC001313913911 1071545454 /nfs/dbraw/zinc/54/54/54/1071545454.db2.gz QOFVPDFXRLNPAV-MHECFPHRSA-N 1 0 474.053 3.563 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001315024126 1071546466 /nfs/dbraw/zinc/54/64/66/1071546466.db2.gz JZQZMYDOXUDXBK-UHFFFAOYSA-N 1 0 488.627 3.622 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)C[NH+]2CCCCC2)CC1=O ZINC001313913259 1071542810 /nfs/dbraw/zinc/54/28/10/1071542810.db2.gz LEZXLEZZBDBUAL-GOSISDBHSA-N 1 0 477.028 3.918 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1=O ZINC001313913466 1071543419 /nfs/dbraw/zinc/54/34/19/1071543419.db2.gz MTPCYOSYRCHDAG-WOJBJXKFSA-N 1 0 488.080 3.810 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001313913469 1071543667 /nfs/dbraw/zinc/54/36/67/1071543667.db2.gz POXJUBHCCVHDMW-FGZHOGPDSA-N 1 0 454.619 3.777 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001315022114 1071544125 /nfs/dbraw/zinc/54/41/25/1071544125.db2.gz YPXBYAQLLRMBKT-UHFFFAOYSA-N 1 0 463.630 3.514 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccc(C)o3)n2CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001315022284 1071544292 /nfs/dbraw/zinc/54/42/92/1071544292.db2.gz RUFAOGFSTGDLCF-UHFFFAOYSA-N 1 0 464.614 3.721 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313914916 1071549301 /nfs/dbraw/zinc/54/93/01/1071549301.db2.gz OXRURTUQAHXLOH-PCCBWWKXSA-N 1 0 476.666 3.840 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313915578 1071550797 /nfs/dbraw/zinc/55/07/97/1071550797.db2.gz YIXWMINEGRHLEN-BHIFYINESA-N 1 0 490.693 3.740 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](C(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313915809 1071551537 /nfs/dbraw/zinc/55/15/37/1071551537.db2.gz SWSSBFDKWODIFJ-DNVFCKCGSA-N 1 0 455.594 3.675 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313919586 1071557512 /nfs/dbraw/zinc/55/75/12/1071557512.db2.gz CRGUVOOMQOUIIE-PKOBYXMFSA-N 1 0 480.629 3.514 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313919583 1071557727 /nfs/dbraw/zinc/55/77/27/1071557727.db2.gz CRGUVOOMQOUIIE-IEBWSBKVSA-N 1 0 480.629 3.514 20 0 JHADRO CCN1CCCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1=O ZINC001313920099 1071558773 /nfs/dbraw/zinc/55/87/73/1071558773.db2.gz BFZVLPJSUBRYLR-DHIUTWEWSA-N 1 0 496.700 3.715 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313920696 1071559529 /nfs/dbraw/zinc/55/95/29/1071559529.db2.gz LORUHLZVPIILAB-UYAOXDASSA-N 1 0 494.656 3.904 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)CC1 ZINC001313921662 1071562388 /nfs/dbraw/zinc/56/23/88/1071562388.db2.gz SGLWPSGZYKIECY-OXJNMPFZSA-N 1 0 467.431 3.522 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313922323 1071563614 /nfs/dbraw/zinc/56/36/14/1071563614.db2.gz VNJSSGRSKWPUMA-IBGZPJMESA-N 1 0 482.629 3.526 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313922337 1071563829 /nfs/dbraw/zinc/56/38/29/1071563829.db2.gz VTIHYPMTPPHSEK-RTWAWAEBSA-N 1 0 470.662 3.615 20 0 JHADRO CCN1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC001313922157 1071563888 /nfs/dbraw/zinc/56/38/88/1071563888.db2.gz SEIZFKRPPDSQCB-QHCPKHFHSA-N 1 0 482.673 3.653 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001313923203 1071566206 /nfs/dbraw/zinc/56/62/06/1071566206.db2.gz IXWVQDNCCYMNRM-WTIAFYNJSA-N 1 0 481.689 3.798 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001313923202 1071566329 /nfs/dbraw/zinc/56/63/29/1071566329.db2.gz IXWVQDNCCYMNRM-UEVCKROQSA-N 1 0 481.689 3.798 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315036918 1071569795 /nfs/dbraw/zinc/56/97/95/1071569795.db2.gz VBJAFXDWQBLNLX-BGYRXZFFSA-N 1 0 479.673 3.766 20 0 JHADRO CNC(=O)CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315038937 1071571872 /nfs/dbraw/zinc/57/18/72/1071571872.db2.gz GDGRHKNMKDTGPO-FQRUVTKNSA-N 1 0 470.662 3.557 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313925339 1071572690 /nfs/dbraw/zinc/57/26/90/1071572690.db2.gz OMADTJQEKZWSMR-NRFANRHFSA-N 1 0 454.663 3.673 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCCSC)CC1 ZINC001313926288 1071576283 /nfs/dbraw/zinc/57/62/83/1071576283.db2.gz WSCVTIICZHEKCE-QGZVFWFLSA-N 1 0 469.074 3.953 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313926457 1071576374 /nfs/dbraw/zinc/57/63/74/1071576374.db2.gz CJJDRFISSPYSFX-NFBKMPQASA-N 1 0 490.693 3.600 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313926519 1071576738 /nfs/dbraw/zinc/57/67/38/1071576738.db2.gz DDPBSYNOBJTOPW-YIXXDRMTSA-N 1 0 484.689 3.587 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(C(C)C)nnc3N3CCS[C@H](C(C)C)C3)cn2)CC1 ZINC001313926705 1071577460 /nfs/dbraw/zinc/57/74/60/1071577460.db2.gz FUFXXWQILVIKPV-NRFANRHFSA-N 1 0 457.692 3.565 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313926777 1071577678 /nfs/dbraw/zinc/57/76/78/1071577678.db2.gz YCLFFTCGESVDGT-MOPGFXCFSA-N 1 0 461.054 3.628 20 0 JHADRO CNC(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001315051814 1071579029 /nfs/dbraw/zinc/57/90/29/1071579029.db2.gz GRDUPDZXHVUVEW-HXUWFJFHSA-N 1 0 489.064 3.739 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313927257 1071579404 /nfs/dbraw/zinc/57/94/04/1071579404.db2.gz JPXALMLFEXKFES-LJQANCHMSA-N 1 0 494.656 3.841 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC001313927186 1071579413 /nfs/dbraw/zinc/57/94/13/1071579413.db2.gz HLEGFJKPNJWCEK-REWPJTCUSA-N 1 0 472.653 3.610 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313927611 1071580722 /nfs/dbraw/zinc/58/07/22/1071580722.db2.gz KQTFLJCCFVLEDR-ZBLYBZFDSA-N 1 0 486.680 3.675 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CCCC3)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001313928007 1071582049 /nfs/dbraw/zinc/58/20/49/1071582049.db2.gz LDZCOVDFOSDQIH-KRWDZBQOSA-N 1 0 479.467 3.954 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001315057022 1071582502 /nfs/dbraw/zinc/58/25/02/1071582502.db2.gz MKWMGFCBETYGAT-QGZVFWFLSA-N 1 0 494.471 3.835 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC001313928587 1071583856 /nfs/dbraw/zinc/58/38/56/1071583856.db2.gz BTFVBNAMYXFVQR-DLBZAZTESA-N 1 0 455.525 3.600 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313928575 1071584546 /nfs/dbraw/zinc/58/45/46/1071584546.db2.gz UJYGOUVMOMKUGM-RJGXRXQPSA-N 1 0 498.716 3.794 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccccc3F)nnc2N(C)C2CCCCC2)CC1 ZINC001313928744 1071584638 /nfs/dbraw/zinc/58/46/38/1071584638.db2.gz VXOLXYMCXJGBHX-FQEVSTJZSA-N 1 0 458.626 3.791 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001313928959 1071585463 /nfs/dbraw/zinc/58/54/63/1071585463.db2.gz DXXZSMOLKRWRFD-PMACEKPBSA-N 1 0 491.080 3.713 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC001313929424 1071586866 /nfs/dbraw/zinc/58/68/66/1071586866.db2.gz RRWQAZGHZHIFII-MRXNPFEDSA-N 1 0 484.533 3.824 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCSC(F)(F)F)C[C@H]1C ZINC001313929194 1071585990 /nfs/dbraw/zinc/58/59/90/1071585990.db2.gz FDNLTMQUGVBPOA-CQSZACIVSA-N 1 0 490.983 3.645 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOC[C@H]2CCCO2)C[C@@H]1C ZINC001313929853 1071588151 /nfs/dbraw/zinc/58/81/51/1071588151.db2.gz ATCYNFPJZJHPDJ-DLBZAZTESA-N 1 0 498.491 3.885 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2scnc2C)C[C@H]1C ZINC001313930243 1071588742 /nfs/dbraw/zinc/58/87/42/1071588742.db2.gz ANWZPXWPRDTEQI-CYBMUJFWSA-N 1 0 464.437 3.574 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3F)C[C@@H]2C)CC1 ZINC001313930143 1071588925 /nfs/dbraw/zinc/58/89/25/1071588925.db2.gz QCUDWVNPHMAUCP-YADHBBJMSA-N 1 0 485.696 3.747 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(COC)c2)C[C@H]1C ZINC001313930282 1071589252 /nfs/dbraw/zinc/58/92/52/1071589252.db2.gz BFACGETYYXIKIV-MRXNPFEDSA-N 1 0 473.419 3.761 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC001313930891 1071590452 /nfs/dbraw/zinc/59/04/52/1071590452.db2.gz DCTMCYVSAYWESO-FDDCHVKYSA-N 1 0 481.563 3.916 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001313932370 1071595136 /nfs/dbraw/zinc/59/51/36/1071595136.db2.gz VGXGZWWFNSEAHP-ZJOUEHCJSA-N 1 0 489.064 3.860 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001313932533 1071595347 /nfs/dbraw/zinc/59/53/47/1071595347.db2.gz LGQPGBQAIRAAHI-HNNXBMFYSA-N 1 0 453.418 3.697 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313933108 1071597022 /nfs/dbraw/zinc/59/70/22/1071597022.db2.gz NGJAVKQGNSUEDF-IBGZPJMESA-N 1 0 459.038 3.922 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313931769 1071592623 /nfs/dbraw/zinc/59/26/23/1071592623.db2.gz ZRUGUIBBBRWNIC-FDFHNCONSA-N 1 0 456.704 3.534 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(C)CCCS2)C[C@H]1C ZINC001313933616 1071598495 /nfs/dbraw/zinc/59/84/95/1071598495.db2.gz LTCOVEDPAHSZIR-QRWLVFNGSA-N 1 0 467.481 3.862 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCCCO2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001313933519 1071598666 /nfs/dbraw/zinc/59/86/66/1071598666.db2.gz ZKDNPCGSKNNNNX-WMZHIEFXSA-N 1 0 476.616 3.850 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(Cc4ccccc4C)nnc3N(C)CCC(F)F)cn2)CC1 ZINC001313933835 1071599649 /nfs/dbraw/zinc/59/96/49/1071599649.db2.gz MHWMJPIMQRUPIF-UHFFFAOYSA-N 1 0 483.611 3.854 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(Cc4csc(C)n4)nnc3N(C)CC(C)(C)C)cn2)CC1 ZINC001313934029 1071599837 /nfs/dbraw/zinc/59/98/37/1071599837.db2.gz NTXNXIXVKLVJIR-UHFFFAOYSA-N 1 0 482.702 3.701 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@](C)(O)c2ccco2)C[C@H]1C ZINC001313933933 1071600412 /nfs/dbraw/zinc/60/04/12/1071600412.db2.gz PEIXKEZQBWQDPM-IVZQSRNASA-N 1 0 492.393 3.878 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](OC)C2CC2)C[C@@H]1C ZINC001313934331 1071601541 /nfs/dbraw/zinc/60/15/41/1071601541.db2.gz RHZWCKYXUDKYOI-LIRRHRJNSA-N 1 0 466.399 3.802 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCOC2)C[C@H]1C ZINC001313934237 1071601797 /nfs/dbraw/zinc/60/17/97/1071601797.db2.gz QSIBLCJBRCSAHD-CVEARBPZSA-N 1 0 466.399 3.804 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001313934646 1071602289 /nfs/dbraw/zinc/60/22/89/1071602289.db2.gz UOTYGTZHOXSOHC-HNNXBMFYSA-N 1 0 453.418 3.555 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC=CCO2)C[C@H]1C ZINC001313934696 1071603068 /nfs/dbraw/zinc/60/30/68/1071603068.db2.gz VBMYPVMXYRCYST-CABCVRRESA-N 1 0 452.422 3.645 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](OC)C(C)(C)C)C[C@H]1C ZINC001313935433 1071604854 /nfs/dbraw/zinc/60/48/54/1071604854.db2.gz WIFOHOYYOLFEMH-CRAIPNDOSA-N 1 0 467.456 3.638 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C(=O)N(C)C)CCCC2)C[C@@H]1C ZINC001313935456 1071606001 /nfs/dbraw/zinc/60/60/01/1071606001.db2.gz WVJAKZLYVZJQOJ-SFHVURJKSA-N 1 0 490.599 3.726 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC)c(Br)c2)C[C@H]1C ZINC001313936561 1071609054 /nfs/dbraw/zinc/60/90/54/1071609054.db2.gz GDIPHDQHHVPCSO-UZLBHIALSA-N 1 0 478.435 3.870 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCc2c[nH]nc2C)C[C@H]1C ZINC001313937883 1071611420 /nfs/dbraw/zinc/61/14/20/1071611420.db2.gz WRUSRQYVQUAZLY-MRXNPFEDSA-N 1 0 458.010 3.802 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2CCCOc2ccc(OC)cc2)C[C@H]1C ZINC001313940959 1071615511 /nfs/dbraw/zinc/61/55/11/1071615511.db2.gz QQXOVPQZMBLXSA-LJQANCHMSA-N 1 0 455.628 3.939 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001313938533 1071612224 /nfs/dbraw/zinc/61/22/24/1071612224.db2.gz KFMHDKNSYIKYQC-MRXNPFEDSA-N 1 0 478.494 3.999 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCCC3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001313939099 1071612618 /nfs/dbraw/zinc/61/26/18/1071612618.db2.gz BRSGBZMJONANRV-MRXNPFEDSA-N 1 0 452.525 3.851 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC001313938986 1071612836 /nfs/dbraw/zinc/61/28/36/1071612836.db2.gz ZFVMEMSKXRUZIS-JXFKEZNVSA-N 1 0 451.974 3.922 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCc3ccccc3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001313940005 1071613931 /nfs/dbraw/zinc/61/39/31/1071613931.db2.gz JJLIQGYMTRJXPU-LJQANCHMSA-N 1 0 486.462 3.643 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(O)cc2)C[C@H]1C ZINC001313942665 1071620900 /nfs/dbraw/zinc/62/09/00/1071620900.db2.gz KHQYNDDHCAMNLJ-NRSPTQNISA-N 1 0 484.645 3.528 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2OCC(C)C)C[C@@H]1C ZINC001313942543 1071620910 /nfs/dbraw/zinc/62/09/10/1071620910.db2.gz JRGSWPLPTLQMDF-QFIPXVFZSA-N 1 0 465.646 3.753 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CC3(CCOC)CCCCC3)C2)CC1 ZINC001313943346 1071622631 /nfs/dbraw/zinc/62/26/31/1071622631.db2.gz REFLGTHJXPGUJE-QFIPXVFZSA-N 1 0 460.711 3.779 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(OCC(C)C)c2)C[C@H]1C ZINC001313943636 1071623864 /nfs/dbraw/zinc/62/38/64/1071623864.db2.gz UHFRNFJTQZJWSY-SFLYRZDNSA-N 1 0 471.646 3.616 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)C[C@H]1C ZINC001313946814 1071629741 /nfs/dbraw/zinc/62/97/41/1071629741.db2.gz CMHCYFURLVQFGJ-JXALWOEJSA-N 1 0 459.610 3.978 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CC2)C1=O ZINC001313946770 1071629943 /nfs/dbraw/zinc/62/99/43/1071629943.db2.gz GAARBQUBQVUMEH-OAQYLSRUSA-N 1 0 487.718 3.957 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)c2ccccn2)C[C@H]1C ZINC001313947131 1071630908 /nfs/dbraw/zinc/63/09/08/1071630908.db2.gz FSISTPUARPCIBX-LJQANCHMSA-N 1 0 452.578 3.899 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccsc4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001313947887 1071632997 /nfs/dbraw/zinc/63/29/97/1071632997.db2.gz DDYFLNXZXLHFLE-SFHVURJKSA-N 1 0 470.609 3.735 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCC2(C)C)CC1 ZINC001313948676 1071634520 /nfs/dbraw/zinc/63/45/20/1071634520.db2.gz FOJOAZPZTYBDQP-KRWDZBQOSA-N 1 0 478.483 3.688 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)nc2)C[C@H]1C ZINC001313949004 1071635179 /nfs/dbraw/zinc/63/51/79/1071635179.db2.gz OAIPAYZPNLXQES-GOSISDBHSA-N 1 0 470.021 3.550 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313949530 1071636969 /nfs/dbraw/zinc/63/69/69/1071636969.db2.gz JOCFSLOQOQFPEW-LJQANCHMSA-N 1 0 473.463 3.708 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2CCCc2cccc(C)n2)C[C@@H]1C ZINC001313950055 1071637571 /nfs/dbraw/zinc/63/75/71/1071637571.db2.gz SRTMJJZREKKKSW-FQEVSTJZSA-N 1 0 452.578 3.863 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313950609 1071639313 /nfs/dbraw/zinc/63/93/13/1071639313.db2.gz AKXSSYOPGKWDAX-OALUTQOASA-N 1 0 492.510 3.556 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313951030 1071640690 /nfs/dbraw/zinc/64/06/90/1071640690.db2.gz CTCUGPHRZCVRDA-WPFOTENUSA-N 1 0 454.663 3.643 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)c2nccs2)C[C@H]1C ZINC001313951134 1071641149 /nfs/dbraw/zinc/64/11/49/1071641149.db2.gz ZSSSYCFASAMUTR-ZSYWTGECSA-N 1 0 489.690 3.839 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001313951334 1071641689 /nfs/dbraw/zinc/64/16/89/1071641689.db2.gz GFWDJXYQJPGKDN-RTBURBONSA-N 1 0 492.510 3.936 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C2CC2)CC1 ZINC001313951720 1071643024 /nfs/dbraw/zinc/64/30/24/1071643024.db2.gz VMBGLQDNCNFZJF-RTBURBONSA-N 1 0 461.054 3.944 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313951638 1071643064 /nfs/dbraw/zinc/64/30/64/1071643064.db2.gz AMMNAKHUBLGKGI-FGZHOGPDSA-N 1 0 486.730 3.949 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313951829 1071643761 /nfs/dbraw/zinc/64/37/61/1071643761.db2.gz KYSBKLUXWDQKKR-HDICACEKSA-N 1 0 478.483 3.546 20 0 JHADRO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC001313952203 1071644307 /nfs/dbraw/zinc/64/43/07/1071644307.db2.gz YFBMCLUMKVJQBQ-GMAHTHKFSA-N 1 0 484.664 3.914 20 0 JHADRO CCN1CC[NH+](CCCCn2c(C3CC3)nnc2N(C)Cc2cccc(Br)c2)CC1 ZINC001313952771 1071646494 /nfs/dbraw/zinc/64/64/94/1071646494.db2.gz CBVJPNYNXPFPKU-UHFFFAOYSA-N 1 0 475.479 3.972 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313952595 1071646511 /nfs/dbraw/zinc/64/65/11/1071646511.db2.gz RYMQKOYTXYLPEY-SFYKDHMMSA-N 1 0 476.616 3.879 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCC(C)C)CC1 ZINC001313953318 1071648404 /nfs/dbraw/zinc/64/84/04/1071648404.db2.gz XMKMKSVQOWEGCH-YTFSRNRJSA-N 1 0 462.727 3.953 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3csc(C)n3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313953462 1071648964 /nfs/dbraw/zinc/64/89/64/1071648964.db2.gz FZXJBUPCYLGZOT-UHFFFAOYSA-N 1 0 457.692 3.598 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313954192 1071650681 /nfs/dbraw/zinc/65/06/81/1071650681.db2.gz AXDKMLRXQSXUHU-FQEVSTJZSA-N 1 0 474.694 3.613 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)[C@@H](C)c2ccccc2C)CC1 ZINC001313954455 1071651695 /nfs/dbraw/zinc/65/16/95/1071651695.db2.gz NSWMEEZIVOFFPZ-QFIPXVFZSA-N 1 0 464.662 3.602 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCSC(CC)(CC)C2)CC1 ZINC001313954738 1071652444 /nfs/dbraw/zinc/65/24/44/1071652444.db2.gz PFBLKWVCJNFEBI-NRFANRHFSA-N 1 0 471.719 3.726 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313954828 1071652869 /nfs/dbraw/zinc/65/28/69/1071652869.db2.gz QCULZOITKOAOTC-QFQXNSOFSA-N 1 0 460.711 3.851 20 0 JHADRO CCN1CC[NH+](CCCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001313954901 1071653750 /nfs/dbraw/zinc/65/37/50/1071653750.db2.gz WXPKNGNCUSOLPW-QHCPKHFHSA-N 1 0 486.730 3.833 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cccc(C)n3)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313955017 1071654210 /nfs/dbraw/zinc/65/42/10/1071654210.db2.gz RQITWHGPCPJVTA-NRFANRHFSA-N 1 0 453.679 3.939 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001313955318 1071654834 /nfs/dbraw/zinc/65/48/34/1071654834.db2.gz RLJLOHDWYHVJJJ-OAQYLSRUSA-N 1 0 477.657 3.567 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001313955207 1071654861 /nfs/dbraw/zinc/65/48/61/1071654861.db2.gz QJNAHHRLOFCNST-REWPJTCUSA-N 1 0 472.653 3.609 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001313955844 1071656584 /nfs/dbraw/zinc/65/65/84/1071656584.db2.gz IVADBBOSSQYSPO-ACRUOGEOSA-N 1 0 474.644 3.903 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313958089 1071662501 /nfs/dbraw/zinc/66/25/01/1071662501.db2.gz TVWZPJATRNKEHW-SIKLNZKXSA-N 1 0 491.775 3.629 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC001313956557 1071658056 /nfs/dbraw/zinc/65/80/56/1071658056.db2.gz HROUFXRUBLIWOU-OAQYLSRUSA-N 1 0 486.709 3.785 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccccc2Cl)CC1 ZINC001313956870 1071658762 /nfs/dbraw/zinc/65/87/62/1071658762.db2.gz OEJYBEHNGXEQHL-NRFANRHFSA-N 1 0 482.076 3.827 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CC[C@@H](c3ccccc3OC)C2)CC1 ZINC001313957352 1071659978 /nfs/dbraw/zinc/65/99/78/1071659978.db2.gz TZRWSYNXJJTCGT-JOCHJYFZSA-N 1 0 468.690 3.897 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCCO[C@H](c3ccccc3)C2)CC1 ZINC001313957372 1071660094 /nfs/dbraw/zinc/66/00/94/1071660094.db2.gz UIIJKXLSCJYDIV-DEOSSOPVSA-N 1 0 468.690 3.862 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001313957603 1071660762 /nfs/dbraw/zinc/66/07/62/1071660762.db2.gz QTYMAPOXWGOVGA-BHDDXSALSA-N 1 0 456.654 3.764 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001313958175 1071663054 /nfs/dbraw/zinc/66/30/54/1071663054.db2.gz VBOMLLPFSHRLLH-RBZQAINGSA-N 1 0 482.717 3.828 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccccc2)CC1 ZINC001313958203 1071663501 /nfs/dbraw/zinc/66/35/01/1071663501.db2.gz PSOKPAULQUSSGI-UHFFFAOYSA-N 1 0 454.022 3.658 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313958475 1071664098 /nfs/dbraw/zinc/66/40/98/1071664098.db2.gz XCIKGDCSGURNBY-YADARESESA-N 1 0 459.708 3.534 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3csc(C)n3)nnc2N(C)c2ccc(C)cc2)CC1 ZINC001313959877 1071667954 /nfs/dbraw/zinc/66/79/54/1071667954.db2.gz CABKCICUOCOMGT-UHFFFAOYSA-N 1 0 453.660 3.738 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001313960590 1071670444 /nfs/dbraw/zinc/67/04/44/1071670444.db2.gz KPXWTLIMOZTKGM-UHFFFAOYSA-N 1 0 461.054 3.774 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3csc(C)n3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001313961008 1071671601 /nfs/dbraw/zinc/67/16/01/1071671601.db2.gz OMVOMXXTSOUOHR-UHFFFAOYSA-N 1 0 484.501 3.561 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001313961539 1071672735 /nfs/dbraw/zinc/67/27/35/1071672735.db2.gz ULJOYISSJOQPAB-DHIUTWEWSA-N 1 0 486.730 3.832 20 0 JHADRO CCn1nc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCOC(C)C)c2ccccc2c1=O ZINC001313966093 1071685182 /nfs/dbraw/zinc/68/51/82/1071685182.db2.gz GYTOKQFGXWJXGK-UHFFFAOYSA-N 1 0 495.672 3.801 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001313969614 1071694054 /nfs/dbraw/zinc/69/40/54/1071694054.db2.gz GCEVETFZYSEZCX-NRFANRHFSA-N 1 0 460.711 3.977 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001313973939 1071701837 /nfs/dbraw/zinc/70/18/37/1071701837.db2.gz NHGPOHOVWZRIGP-UHFFFAOYSA-N 1 0 472.703 3.795 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001313975068 1071704463 /nfs/dbraw/zinc/70/44/63/1071704463.db2.gz YSEMJBKBPKUSOA-QFIPXVFZSA-N 1 0 480.682 3.803 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(C3CCCC3)nnc2N2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC001313983005 1071719705 /nfs/dbraw/zinc/71/97/05/1071719705.db2.gz FUZFQKJSFBSYKT-OAQYLSRUSA-N 1 0 452.647 3.902 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(C3CCCC3)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC001313983004 1071719697 /nfs/dbraw/zinc/71/96/97/1071719697.db2.gz FUZFQKJSFBSYKT-NRFANRHFSA-N 1 0 452.647 3.902 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001313993423 1071727395 /nfs/dbraw/zinc/72/73/95/1071727395.db2.gz KBPBYVWMYKVSKG-CLOONOSVSA-N 1 0 488.080 3.961 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001313994287 1071729554 /nfs/dbraw/zinc/72/95/54/1071729554.db2.gz HNBORAHOYIPQJJ-OAQYLSRUSA-N 1 0 467.662 3.677 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001313996111 1071732653 /nfs/dbraw/zinc/73/26/53/1071732653.db2.gz JQQLIXGENAZCEK-QFIPXVFZSA-N 1 0 497.688 3.706 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3)n2C[C@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001313997265 1071734431 /nfs/dbraw/zinc/73/44/31/1071734431.db2.gz UKQMVTGZZDNFAS-JOCHJYFZSA-N 1 0 481.670 3.941 20 0 JHADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C3CCCC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001314007232 1071742907 /nfs/dbraw/zinc/74/29/07/1071742907.db2.gz CLFLYIMGZJKRQK-UGKGYDQZSA-N 1 0 488.702 3.583 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001314014627 1071754141 /nfs/dbraw/zinc/75/41/41/1071754141.db2.gz QYUCGPCIAFUVMA-UHFFFAOYSA-N 1 0 478.041 3.638 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001314016915 1071761646 /nfs/dbraw/zinc/76/16/46/1071761646.db2.gz UPCDILXVGFCYNZ-JOCHJYFZSA-N 1 0 456.635 3.837 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001314016147 1071758594 /nfs/dbraw/zinc/75/85/94/1071758594.db2.gz KAHJOVYBBBNUOZ-UHFFFAOYSA-N 1 0 486.661 3.810 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)CC1 ZINC001314022359 1071775955 /nfs/dbraw/zinc/77/59/55/1071775955.db2.gz QPMSQPXKIHOHGR-QHCPKHFHSA-N 1 0 484.645 3.601 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001314022808 1071776931 /nfs/dbraw/zinc/77/69/31/1071776931.db2.gz QZRSQRVMICPHFD-NRFANRHFSA-N 1 0 477.613 3.529 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001314023166 1071777967 /nfs/dbraw/zinc/77/79/67/1071777967.db2.gz IQTUXMXUUBPOLG-OAQYLSRUSA-N 1 0 498.672 3.917 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C)n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001314025574 1071785969 /nfs/dbraw/zinc/78/59/69/1071785969.db2.gz BMYIWPZFHSUYSM-OAQYLSRUSA-N 1 0 471.650 3.776 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001314024002 1071780883 /nfs/dbraw/zinc/78/08/83/1071780883.db2.gz OOVABNUHFRIDDK-JOCHJYFZSA-N 1 0 484.645 3.564 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001314025077 1071785011 /nfs/dbraw/zinc/78/50/11/1071785011.db2.gz JPGYOLOYPMMHFA-UHFFFAOYSA-N 1 0 489.064 3.923 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CC=CCC2)C1 ZINC001314030467 1071802133 /nfs/dbraw/zinc/80/21/33/1071802133.db2.gz CSGDRXYGNAEKMO-IBGZPJMESA-N 1 0 490.555 3.523 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001314031708 1071806420 /nfs/dbraw/zinc/80/64/20/1071806420.db2.gz JUYPCOWNTFCCPJ-NHCUHLMSSA-N 1 0 454.619 3.843 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001314031709 1071806505 /nfs/dbraw/zinc/80/65/05/1071806505.db2.gz JUYPCOWNTFCCPJ-RTWAWAEBSA-N 1 0 454.619 3.843 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001314037079 1071829442 /nfs/dbraw/zinc/82/94/42/1071829442.db2.gz JVDZMSTULZPQJI-DHIUTWEWSA-N 1 0 486.636 3.987 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001314036503 1071827443 /nfs/dbraw/zinc/82/74/43/1071827443.db2.gz GLEDMZVZZIKSRX-GGAORHGYSA-N 1 0 498.672 3.714 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001314037164 1071830210 /nfs/dbraw/zinc/83/02/10/1071830210.db2.gz DPLUFPGYFJQDFA-JTHBVZDNSA-N 1 0 477.613 3.666 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314037703 1071831359 /nfs/dbraw/zinc/83/13/59/1071831359.db2.gz AQSOAIYNTGOVKA-ACESQOTJSA-N 1 0 490.693 3.993 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001314037716 1071831390 /nfs/dbraw/zinc/83/13/90/1071831390.db2.gz ATETXLCKNYYREU-NHCUHLMSSA-N 1 0 456.635 3.885 20 0 JHADRO CCOC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001314042674 1071849543 /nfs/dbraw/zinc/84/95/43/1071849543.db2.gz COPQVOLQKKCZPV-HXUWFJFHSA-N 1 0 499.635 3.818 20 0 JHADRO CCOC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001314042648 1071849571 /nfs/dbraw/zinc/84/95/71/1071849571.db2.gz WRNFNMCXBBVMEF-NRFANRHFSA-N 1 0 474.694 3.810 20 0 JHADRO CCOC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001314042803 1071850127 /nfs/dbraw/zinc/85/01/27/1071850127.db2.gz FNXOWVBUSTUIOM-HZPDHXFCSA-N 1 0 467.456 3.780 20 0 JHADRO CCOC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001314043961 1071854766 /nfs/dbraw/zinc/85/47/66/1071854766.db2.gz HNQRBXQRTIDCFN-IRLDBZIGSA-N 1 0 488.652 3.589 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001314045103 1071858682 /nfs/dbraw/zinc/85/86/82/1071858682.db2.gz YMYJYNHPLLFFPD-VXKWHMMOSA-N 1 0 484.645 3.673 20 0 JHADRO CCOC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001314056457 1071885125 /nfs/dbraw/zinc/88/51/25/1071885125.db2.gz RKOGJPRZSBNMTM-UHFFFAOYSA-N 1 0 495.672 3.735 20 0 JHADRO CCOC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001314057006 1071886266 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PAMDMCJUJHLEFJ-UHFFFAOYSA-N 1 0 465.646 3.935 20 0 JHADRO CCc1cnc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC001305993689 1068355181 /nfs/dbraw/zinc/35/51/81/1068355181.db2.gz IFPVMOMLVCAWBI-LNLFQRSKSA-N 1 0 473.691 3.641 20 0 JHADRO CCc1cnc(CN(C)c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N2CC[NH+](CC)CC2)s1 ZINC001305995578 1068358936 /nfs/dbraw/zinc/35/89/36/1068358936.db2.gz LOKDROHMTATOHE-IBGZPJMESA-N 1 0 483.686 3.635 20 0 JHADRO CCc1cnc(CN(C)c2nnc(Cc3ccsc3)n2C[C@H](C)N2CC[NH+](CC)CC2)s1 ZINC001305996381 1068361106 /nfs/dbraw/zinc/36/11/06/1068361106.db2.gz SLNQWAIBKRMIBC-SFHVURJKSA-N 1 0 473.716 3.612 20 0 JHADRO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@H]3CCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001306003149 1068378011 /nfs/dbraw/zinc/37/80/11/1068378011.db2.gz AKKLJHGMIVMXHC-HNJRGHQBSA-N 1 0 476.691 3.806 20 0 JHADRO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@@H]3CCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001306003182 1068378171 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HOGUMYKVGSCOAA-VWNXMTODSA-N 1 0 455.647 3.680 20 0 JHADRO CCc1nnc(N(CCNC(C)=O)Cc2ccc(C)s2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306102082 1068519064 /nfs/dbraw/zinc/51/90/64/1068519064.db2.gz PCVXSZTUICERPO-KOSHJBKYSA-N 1 0 460.692 3.864 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001306120732 1068529080 /nfs/dbraw/zinc/52/90/80/1068529080.db2.gz SSKBQNAUCDEHPP-KRWDZBQOSA-N 1 0 480.579 3.865 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1Cc1cccc(C[NH+](CC)CC)c1 ZINC001306120467 1068529126 /nfs/dbraw/zinc/52/91/26/1068529126.db2.gz QPGMWHSLERRHHU-UHFFFAOYSA-N 1 0 480.579 3.626 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001306121220 1068529995 /nfs/dbraw/zinc/52/99/95/1068529995.db2.gz VYUSCOBHICTKNR-HXUWFJFHSA-N 1 0 470.637 3.602 20 0 JHADRO CCc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1C[C@H](C)Oc1ccccc1C ZINC001306135037 1068538424 /nfs/dbraw/zinc/53/84/24/1068538424.db2.gz XEYLVMYFMJGITM-QFIPXVFZSA-N 1 0 455.647 3.945 20 0 JHADRO CCc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001306137270 1068539508 /nfs/dbraw/zinc/53/95/08/1068539508.db2.gz YISONFIGHHFHBF-NRFANRHFSA-N 1 0 453.635 3.731 20 0 JHADRO CCc1nnc(N2CC[C@@H](Oc3ccccc3Cl)C2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001306148524 1068550694 /nfs/dbraw/zinc/55/06/94/1068550694.db2.gz UOVRCQFOYBRJSR-HXUWFJFHSA-N 1 0 461.054 3.569 20 0 JHADRO CCc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001306155241 1068553509 /nfs/dbraw/zinc/55/35/09/1068553509.db2.gz YDWBWCBAMAMZND-JOCHJYFZSA-N 1 0 484.645 3.597 20 0 JHADRO CCc1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001306155211 1068553560 /nfs/dbraw/zinc/55/35/60/1068553560.db2.gz XPVGNPKRNFHTIH-DEOSSOPVSA-N 1 0 461.651 3.967 20 0 JHADRO CCc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001306164741 1068560087 /nfs/dbraw/zinc/56/00/87/1068560087.db2.gz KIDVLYHLTREZKL-OAQYLSRUSA-N 1 0 488.721 3.643 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001306165321 1068560671 /nfs/dbraw/zinc/56/06/71/1068560671.db2.gz PGYXWWUEWUZGEA-SFHVURJKSA-N 1 0 480.583 3.710 20 0 JHADRO CCc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001306171220 1068565918 /nfs/dbraw/zinc/56/59/18/1068565918.db2.gz GEBIKOLEDJVQPI-RTBURBONSA-N 1 0 455.525 3.700 20 0 JHADRO CCc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001306172116 1068566944 /nfs/dbraw/zinc/56/69/44/1068566944.db2.gz WZKGMAXTPXHKPI-BJKOFHAPSA-N 1 0 466.674 3.884 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306180194 1068571446 /nfs/dbraw/zinc/57/14/46/1068571446.db2.gz QULGZDWQBKFXMR-WOJBJXKFSA-N 1 0 473.065 3.967 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001306180887 1068572402 /nfs/dbraw/zinc/57/24/02/1068572402.db2.gz QWGQLUONEFJQGY-QFIPXVFZSA-N 1 0 484.664 3.773 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001306188583 1068580767 /nfs/dbraw/zinc/58/07/67/1068580767.db2.gz IYRREBSMZLDLEG-IRLDBZIGSA-N 1 0 468.646 3.951 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001306188584 1068580808 /nfs/dbraw/zinc/58/08/08/1068580808.db2.gz IYRREBSMZLDLEG-RBBKRZOGSA-N 1 0 468.646 3.951 20 0 JHADRO CCc1nnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306207985 1068599245 /nfs/dbraw/zinc/59/92/45/1068599245.db2.gz RLMCCAVIURCNKU-OALUTQOASA-N 1 0 457.667 3.524 20 0 JHADRO CCc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306214174 1068602832 /nfs/dbraw/zinc/60/28/32/1068602832.db2.gz GODKLWISMCIEMQ-LVCYWYKZSA-N 1 0 492.462 3.680 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1CCC[N@H+](C)C(C)C ZINC001306214182 1068602894 /nfs/dbraw/zinc/60/28/94/1068602894.db2.gz GSRJTSALJCSHDG-IBGZPJMESA-N 1 0 450.425 3.911 20 0 JHADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001306226675 1068611763 /nfs/dbraw/zinc/61/17/63/1068611763.db2.gz VCXDCZJMNRCZEZ-NRFANRHFSA-N 1 0 454.619 3.588 20 0 JHADRO CCc1noc([C@H](C)N2CCN(c3nnc([C@H](C)CC)n3CCC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC001306231161 1068618164 /nfs/dbraw/zinc/61/81/64/1068618164.db2.gz ZKFLRKBNGXNLDW-NJYVYQBISA-N 1 0 472.682 3.885 20 0 JHADRO CCc1noc(C)c1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001306235331 1068628096 /nfs/dbraw/zinc/62/80/96/1068628096.db2.gz SKAWEWWEZUJRAL-DLBZAZTESA-N 1 0 468.602 3.788 20 0 JHADRO CCc1nsc(N2CCCN(c3nnc(C(C)C)n3C[C@@H](C)[NH+]3CCC(C)CC3)CC2)n1 ZINC001306239395 1068635288 /nfs/dbraw/zinc/63/52/88/1068635288.db2.gz JLACIIFQOFTWLC-LJQANCHMSA-N 1 0 460.696 3.653 20 0 JHADRO CCc1nsc(N2CCN(c3nnc([C@@H](C)CC)n3CC(C)(C)C[NH+]3CCCC3)CC2)n1 ZINC001306239726 1068636555 /nfs/dbraw/zinc/63/65/55/1068636555.db2.gz CPFSHJGTKZWEHQ-SFHVURJKSA-N 1 0 460.696 3.654 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[N@H+](C)C1CCCCC1 ZINC001306244508 1068648595 /nfs/dbraw/zinc/64/85/95/1068648595.db2.gz NIYSJXLVCLFXEC-KNQAVFIVSA-N 1 0 486.636 3.927 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001306246814 1068654649 /nfs/dbraw/zinc/65/46/49/1068654649.db2.gz IUFJNPBJMWFTNN-XLIONFOSSA-N 1 0 476.572 3.526 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2cccc(C)c2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306257623 1068664613 /nfs/dbraw/zinc/66/46/13/1068664613.db2.gz ODHBEXLZCFQOHB-ZDXQCDESSA-N 1 0 482.673 3.638 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001306277152 1068691215 /nfs/dbraw/zinc/69/12/15/1068691215.db2.gz JWLJTCLYIVCNSJ-AOHZBQACSA-N 1 0 455.647 3.946 20 0 JHADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001306277158 1068691225 /nfs/dbraw/zinc/69/12/25/1068691225.db2.gz JWLJTCLYIVCNSJ-WMTXJRDZSA-N 1 0 455.647 3.946 20 0 JHADRO CC[C@H]1C[C@@H](C)CN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)[NH+](CC)CC ZINC001306285465 1068703878 /nfs/dbraw/zinc/70/38/78/1068703878.db2.gz GBKOUIGFGZDAHW-SBHAEUEKSA-N 1 0 476.691 3.551 20 0 JHADRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc(OC)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001306286070 1068704184 /nfs/dbraw/zinc/70/41/84/1068704184.db2.gz KATAWWLXKPOWRJ-WPYKKVEZSA-N 1 0 468.646 3.521 20 0 JHADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306304826 1068722050 /nfs/dbraw/zinc/72/20/50/1068722050.db2.gz WVXHJYFBXPTEKL-PWSZPPJVSA-N 1 0 480.723 3.558 20 0 JHADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001306304952 1068722423 /nfs/dbraw/zinc/72/24/23/1068722423.db2.gz XRFFLDDRQSFSQI-QHAWAJNXSA-N 1 0 480.723 3.559 20 0 JHADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001306304951 1068722578 /nfs/dbraw/zinc/72/25/78/1068722578.db2.gz XRFFLDDRQSFSQI-PWRODBHTSA-N 1 0 480.723 3.559 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001306315529 1068734599 /nfs/dbraw/zinc/73/45/99/1068734599.db2.gz AHVYLXLCKBEXHV-NJYVYQBISA-N 1 0 492.462 3.822 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](SC)C1 ZINC001306317538 1068738375 /nfs/dbraw/zinc/73/83/75/1068738375.db2.gz KBSOLMRDEDEGJQ-UXHICEINSA-N 1 0 471.675 3.912 20 0 JHADRO CC[C@@H]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001306317823 1068739979 /nfs/dbraw/zinc/73/99/79/1068739979.db2.gz SROIAXUSMSRDDE-VWPQPMDRSA-N 1 0 471.646 3.946 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306319152 1068743906 /nfs/dbraw/zinc/74/39/06/1068743906.db2.gz JMJMEPFGDKQABJ-PKOBYXMFSA-N 1 0 498.093 3.741 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCOCC1 ZINC001306319294 1068744842 /nfs/dbraw/zinc/74/48/42/1068744842.db2.gz SKRKNFQPMASHEI-QGZVFWFLSA-N 1 0 478.435 3.817 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(OC)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306319743 1068746546 /nfs/dbraw/zinc/74/65/46/1068746546.db2.gz VVLCTWMQGKSGRY-FYYLOGMGSA-N 1 0 468.646 3.523 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001306319730 1068746793 /nfs/dbraw/zinc/74/67/93/1068746793.db2.gz VQYZJFDLZOZLGQ-QHAWAJNXSA-N 1 0 460.667 3.969 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)CC1 ZINC001306319964 1068747283 /nfs/dbraw/zinc/74/72/83/1068747283.db2.gz XZKQYTNKXLDCQO-LADGPHEKSA-N 1 0 482.673 3.968 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2OC)nnc1N1CCC(CC(=O)NC)CC1 ZINC001306320258 1068749046 /nfs/dbraw/zinc/74/90/46/1068749046.db2.gz SJIVANVVRXHJSO-OAQYLSRUSA-N 1 0 468.646 3.571 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001306321185 1068750967 /nfs/dbraw/zinc/75/09/67/1068750967.db2.gz BMOBFCVRTUNCCS-NNXSRULWSA-N 1 0 474.694 3.553 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccccc2F)nnc1N1CCC(CNC(C)=O)CC1 ZINC001306321192 1068751095 /nfs/dbraw/zinc/75/10/95/1068751095.db2.gz BNRMZVYNJIXWKJ-JOCHJYFZSA-N 1 0 486.636 3.613 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CCC(F)F ZINC001306321341 1068751697 /nfs/dbraw/zinc/75/16/97/1068751697.db2.gz DYAAQMQUVUDQTJ-KRWDZBQOSA-N 1 0 473.572 3.548 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](SC)C1 ZINC001306322488 1068753798 /nfs/dbraw/zinc/75/37/98/1068753798.db2.gz HKRLUCXNWOBDJK-KJJMTIBFSA-N 1 0 465.708 3.989 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001306322877 1068755085 /nfs/dbraw/zinc/75/50/85/1068755085.db2.gz MTSIREFWMTYVPI-MOPGFXCFSA-N 1 0 451.619 3.509 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001306324044 1068758242 /nfs/dbraw/zinc/75/82/42/1068758242.db2.gz NBEKESJIFNWEGJ-RDGATRHJSA-N 1 0 495.716 3.906 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306324697 1068759847 /nfs/dbraw/zinc/75/98/47/1068759847.db2.gz UVUYPZMOYTUCLZ-GXRSIYKFSA-N 1 0 490.693 3.786 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC[C@@H]1C ZINC001306325473 1068762527 /nfs/dbraw/zinc/76/25/27/1068762527.db2.gz YCUFGAGSEQSZDB-RBBKRZOGSA-N 1 0 490.693 3.882 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](COC)C1 ZINC001306326155 1068763443 /nfs/dbraw/zinc/76/34/43/1068763443.db2.gz XIMJWMWVMKOJIE-DHIUTWEWSA-N 1 0 471.646 3.590 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306326552 1068764945 /nfs/dbraw/zinc/76/49/45/1068764945.db2.gz ZINHPRONOARIQV-ZWKOTPCHSA-N 1 0 457.541 3.742 20 0 JHADRO CC[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CC[NH+](CC)CC2)C1 ZINC001306341912 1068778671 /nfs/dbraw/zinc/77/86/71/1068778671.db2.gz KAIGPDRMZYCENB-OAQYLSRUSA-N 1 0 458.626 3.650 20 0 JHADRO CC[C@@H]1CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCCN1CC[NH+](CC)CC1 ZINC001306343535 1068780242 /nfs/dbraw/zinc/78/02/42/1068780242.db2.gz VIUFDARKMRKXRS-LEWJYISDSA-N 1 0 458.626 3.964 20 0 JHADRO CC[C@@H]1CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001306344719 1068781571 /nfs/dbraw/zinc/78/15/71/1068781571.db2.gz FVVTUANGNNLZJJ-RDGATRHJSA-N 1 0 459.610 3.969 20 0 JHADRO CC[C@H]1CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001306351483 1068787906 /nfs/dbraw/zinc/78/79/06/1068787906.db2.gz WKDYKZDOTINCIX-SFTDATJTSA-N 1 0 490.693 3.882 20 0 JHADRO CC[C@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001306355142 1068789975 /nfs/dbraw/zinc/78/99/75/1068789975.db2.gz CBYFUFUQQIBMEY-PMACEKPBSA-N 1 0 476.666 3.840 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001306356054 1068790639 /nfs/dbraw/zinc/79/06/39/1068790639.db2.gz QGFJSYKKMFWNLG-IFMALSPDSA-N 1 0 494.606 3.989 20 0 JHADRO CC[C@H]1CCCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001306356056 1068791126 /nfs/dbraw/zinc/79/11/26/1068791126.db2.gz QGFJSYKKMFWNLG-RBBKRZOGSA-N 1 0 494.606 3.989 20 0 JHADRO CC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccco2)[NH+](CC)CC)C1 ZINC001306357877 1068792724 /nfs/dbraw/zinc/79/27/24/1068792724.db2.gz FSIWQDDBHLUKMI-RTBURBONSA-N 1 0 451.575 3.838 20 0 JHADRO CCC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001306358244 1068793309 /nfs/dbraw/zinc/79/33/09/1068793309.db2.gz JCRMENPAHMSLSX-QFIPXVFZSA-N 1 0 481.689 3.800 20 0 JHADRO CC[C@H]1CCCN1c1nnc(COc2ccc(OC)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001306358766 1068793906 /nfs/dbraw/zinc/79/39/06/1068793906.db2.gz XQVAWIJEZFMSDN-RTWAWAEBSA-N 1 0 457.619 3.745 20 0 JHADRO CC[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001306361493 1068796372 /nfs/dbraw/zinc/79/63/72/1068796372.db2.gz DNRAIXJWIUOIJT-VIZSFHNOSA-N 1 0 486.636 3.736 20 0 JHADRO CC[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001306363064 1068798975 /nfs/dbraw/zinc/79/89/75/1068798975.db2.gz QFHVCDDPWHOKOO-RBUKOAKNSA-N 1 0 475.479 3.970 20 0 JHADRO CC[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001306368503 1068803256 /nfs/dbraw/zinc/80/32/56/1068803256.db2.gz RSCZZVMDYFCQLL-ZWKOTPCHSA-N 1 0 462.436 3.791 20 0 JHADRO CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001306372486 1068805197 /nfs/dbraw/zinc/80/51/97/1068805197.db2.gz DACUGQTYYNVLIL-DENIHFKCSA-N 1 0 473.687 3.936 20 0 JHADRO CC[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001306380659 1068811792 /nfs/dbraw/zinc/81/17/92/1068811792.db2.gz ARLNNJRIOBIZMA-PCCBWWKXSA-N 1 0 471.646 3.990 20 0 JHADRO CCC1CCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001306380541 1068811820 /nfs/dbraw/zinc/81/18/20/1068811820.db2.gz XJFVAQGKWZTHRV-DEOSSOPVSA-N 1 0 466.674 3.632 20 0 JHADRO CC[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[NH+]2CCN(CC)CC2)C1 ZINC001306385145 1068818415 /nfs/dbraw/zinc/81/84/15/1068818415.db2.gz SKTGUPLEDRJGFG-DNVJHFABSA-N 1 0 460.711 3.851 20 0 JHADRO CC[C@H]1CN(c2nnc(C(C)C)n2Cc2ccc(C[NH+](CC)CC)cc2)C[C@@H]1N1CCOCC1 ZINC001306386963 1068820578 /nfs/dbraw/zinc/82/05/78/1068820578.db2.gz MIIMWRZDHQZLRK-DQEYMECFSA-N 1 0 468.690 3.839 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCOCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306391045 1068830337 /nfs/dbraw/zinc/83/03/37/1068830337.db2.gz VTVQBENHFSMKKW-WOJBJXKFSA-N 1 0 492.709 3.816 20 0 JHADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC2(C)C)CC[N@@H+]1CCOC ZINC001306391153 1068831090 /nfs/dbraw/zinc/83/10/90/1068831090.db2.gz KOJIBIRSYRBSKN-IRLDBZIGSA-N 1 0 468.646 3.740 20 0 JHADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2ccsc2)CC[N@@H+]1CCOC ZINC001306393258 1068834406 /nfs/dbraw/zinc/83/44/06/1068834406.db2.gz RWSNGYVOSZRPNH-QHCPKHFHSA-N 1 0 496.681 3.998 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCO1 ZINC001306393199 1068834616 /nfs/dbraw/zinc/83/46/16/1068834616.db2.gz QRMOYXQWYVYCCR-JOCHJYFZSA-N 1 0 498.672 3.652 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001306399599 1068855822 /nfs/dbraw/zinc/85/58/22/1068855822.db2.gz BSPVBIHSLHJUQK-INIZCTEOSA-N 1 0 466.399 3.946 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2Cc2cscc2C)CC[N@@H+]1CCOC ZINC001306402059 1068863573 /nfs/dbraw/zinc/86/35/73/1068863573.db2.gz PCYAPAIEDFBNND-OAQYLSRUSA-N 1 0 455.628 3.919 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC[N@H+](C)CCOC)C[C@@H](C)O1 ZINC001306402511 1068864168 /nfs/dbraw/zinc/86/41/68/1068864168.db2.gz BHBPXYJPZISBMT-UYAOXDASSA-N 1 0 494.478 3.988 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccsc2)CC[N@@H+]1CCOC ZINC001306403558 1068867777 /nfs/dbraw/zinc/86/77/77/1068867777.db2.gz SAMADKAWXYZGGE-HXUWFJFHSA-N 1 0 471.627 3.619 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCS1 ZINC001306405055 1068870892 /nfs/dbraw/zinc/87/08/92/1068870892.db2.gz YBGLIIBISORFNF-PMACEKPBSA-N 1 0 450.052 3.777 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CC[N@H+](CC)C2)CCO1 ZINC001306405114 1068871759 /nfs/dbraw/zinc/87/17/59/1068871759.db2.gz MGHAMYURJYEPMB-HKUYNNGSSA-N 1 0 462.436 3.973 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2OCC[NH+](C)C)C[C@@H](C)O1 ZINC001306405404 1068873173 /nfs/dbraw/zinc/87/31/73/1068873173.db2.gz NXORZGOWSCGNID-CTNGQTDRSA-N 1 0 453.587 3.839 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC001306406179 1068875091 /nfs/dbraw/zinc/87/50/91/1068875091.db2.gz VOZGRUDWIUCGSV-OAQYLSRUSA-N 1 0 453.587 3.645 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCC[NH+](C)C)CCS1 ZINC001306407624 1068883256 /nfs/dbraw/zinc/88/32/56/1068883256.db2.gz BVDUXERBDYEZKY-KRWDZBQOSA-N 1 0 454.040 3.517 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)CCS1 ZINC001306407764 1068883839 /nfs/dbraw/zinc/88/38/39/1068883839.db2.gz DCHFXJVKFIKZEL-FQEVSTJZSA-N 1 0 450.052 3.777 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(C)CCOCC2)CC[N@@H+]1CCOC ZINC001306408493 1068885145 /nfs/dbraw/zinc/88/51/45/1068885145.db2.gz JANVYWMEVPCGTH-FQEVSTJZSA-N 1 0 492.064 3.971 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(OC)CCCCC2)CC[N@@H+]1CCOC ZINC001306408543 1068885974 /nfs/dbraw/zinc/88/59/74/1068885974.db2.gz KLTXYDPLUVZOAS-HXUWFJFHSA-N 1 0 477.053 3.890 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCOc2ccc(Cl)cn2)CC[N@@H+]1CCOC ZINC001306409091 1068887883 /nfs/dbraw/zinc/88/78/83/1068887883.db2.gz MHWBIJVXNVRESI-LJQANCHMSA-N 1 0 474.993 3.521 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001306410183 1068890065 /nfs/dbraw/zinc/89/00/65/1068890065.db2.gz RDOUYFYBKYCUDX-UYAOXDASSA-N 1 0 478.037 3.723 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCC[C@H]2C)CC[N@@H+]1CCOC ZINC001306410234 1068890317 /nfs/dbraw/zinc/89/03/17/1068890317.db2.gz PSUMTWBOAAQSCV-MEKIYTOJSA-N 1 0 462.038 3.697 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CC(C)(C)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001306410948 1068893258 /nfs/dbraw/zinc/89/32/58/1068893258.db2.gz ASJKHXFTJBSRND-JOCHJYFZSA-N 1 0 468.621 3.948 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccccc3C)n2C[C@@](C)(O)c2cccs2)CC[N@@H+]1CCOC ZINC001306411718 1068895788 /nfs/dbraw/zinc/89/57/88/1068895788.db2.gz GZJPCLUNWVKIDU-NBGIEHNGSA-N 1 0 469.655 3.770 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2C[C@](C)(O)c2cccs2)CC[N@@H+]1CCOC ZINC001306411719 1068896041 /nfs/dbraw/zinc/89/60/41/1068896041.db2.gz GZJPCLUNWVKIDU-NLFFAJNJSA-N 1 0 469.655 3.770 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccccc3C)n2Cc2nccc(C(F)F)n2)CC[N@@H+]1CCOC ZINC001306412704 1068898283 /nfs/dbraw/zinc/89/82/83/1068898283.db2.gz KOKOPJCJJGYRTB-SFHVURJKSA-N 1 0 471.556 3.576 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@@H](C)O1 ZINC001306414006 1068901605 /nfs/dbraw/zinc/90/16/05/1068901605.db2.gz KGMPZYNRPADNGL-MOPGFXCFSA-N 1 0 489.686 3.793 20 0 JHADRO C[C@H](CNC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1)[NH+]1CCCCC1 ZINC001306415057 1068903320 /nfs/dbraw/zinc/90/33/20/1068903320.db2.gz ORMOHTOWZLSRFD-QGZVFWFLSA-N 1 0 450.649 3.937 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CCS1 ZINC001306416254 1068905433 /nfs/dbraw/zinc/90/54/33/1068905433.db2.gz YDLWEGSNNCPURO-UXHICEINSA-N 1 0 460.667 3.690 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306417155 1068907392 /nfs/dbraw/zinc/90/73/92/1068907392.db2.gz WBEOTUWQNSSTCH-TUNNFDKTSA-N 1 0 471.646 3.946 20 0 JHADRO CC[C@H]1CN(c2nnc(C3CCC3)n2CCc2ccc(F)c(F)c2F)CC[N@@H+]1CCOC ZINC001306424124 1068917759 /nfs/dbraw/zinc/91/77/59/1068917759.db2.gz FLGVAONHTPONLF-SFHVURJKSA-N 1 0 451.537 3.753 20 0 JHADRO 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CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC2([NH+](C)C)CCC2)C1 ZINC001306518423 1069132424 /nfs/dbraw/zinc/13/24/24/1069132424.db2.gz RYUOJISMJPXPGS-HXUWFJFHSA-N 1 0 468.646 3.571 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001306520650 1069141700 /nfs/dbraw/zinc/14/17/00/1069141700.db2.gz NRMUAUKJFFJUOX-VXKWHMMOSA-N 1 0 467.662 3.656 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001306522392 1069147120 /nfs/dbraw/zinc/14/71/20/1069147120.db2.gz NEKOEHHMGDOIEJ-CEWLAPEOSA-N 1 0 474.675 3.627 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001306528047 1069160633 /nfs/dbraw/zinc/16/06/33/1069160633.db2.gz HKXOBEKXLOVOHO-DEOSSOPVSA-N 1 0 472.037 3.595 20 0 JHADRO COc1cc(I)ccc1NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC001310788368 1069162747 /nfs/dbraw/zinc/16/27/47/1069162747.db2.gz XAHGGZNADMIESX-MRXNPFEDSA-N 1 0 457.287 3.863 20 0 JHADRO O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001310789040 1069163451 /nfs/dbraw/zinc/16/34/51/1069163451.db2.gz FRQDEUSNVJBMCQ-UHFFFAOYSA-N 1 0 456.612 3.974 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001306529396 1069163849 /nfs/dbraw/zinc/16/38/49/1069163849.db2.gz JBRUFFMCISXNDP-LVXARBLLSA-N 1 0 471.646 3.967 20 0 JHADRO O=C(Nc1ccc(Cl)cc1OCC(F)F)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001310824122 1069179120 /nfs/dbraw/zinc/17/91/20/1069179120.db2.gz SPOZJDWCZIYWDG-AEFFLSMTSA-N 1 0 453.917 3.988 20 0 JHADRO CCC[C@@](C)(O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001306537684 1069183701 /nfs/dbraw/zinc/18/37/01/1069183701.db2.gz TWYLBOVRDICHDN-RXFWQSSRSA-N 1 0 492.709 3.911 20 0 JHADRO CCC[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001306540494 1069188670 /nfs/dbraw/zinc/18/86/70/1069188670.db2.gz IHIMOSUAZKWCOP-RUZDIDTESA-N 1 0 476.065 3.622 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001306546206 1069203057 /nfs/dbraw/zinc/20/30/57/1069203057.db2.gz AQQFIRFGHDWJDM-PWRODBHTSA-N 1 0 477.657 3.965 20 0 JHADRO CCOC(=O)Cc1cnc(NC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)s1 ZINC001310884888 1069208849 /nfs/dbraw/zinc/20/88/49/1069208849.db2.gz TXPHDRWSBJEBDI-OAHLLOKOSA-N 1 0 454.955 3.827 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001306552226 1069217358 /nfs/dbraw/zinc/21/73/58/1069217358.db2.gz KJDZPZYINJHILZ-VXNXHJTFSA-N 1 0 488.721 3.673 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001306556562 1069224874 /nfs/dbraw/zinc/22/48/74/1069224874.db2.gz TWKXTXIZQRUPDV-ISKFKSNPSA-N 1 0 482.673 3.678 20 0 JHADRO Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1C ZINC001310942018 1069229534 /nfs/dbraw/zinc/22/95/34/1069229534.db2.gz ISJGUQCTEZMVKX-IYBDPMFKSA-N 1 0 450.628 3.631 20 0 JHADRO Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nn1C ZINC001310941370 1069229742 /nfs/dbraw/zinc/22/97/42/1069229742.db2.gz CONGTCAUYMFRTE-UHFFFAOYSA-N 1 0 456.591 3.671 20 0 JHADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)[C@H](C)C1 ZINC001306559561 1069230063 /nfs/dbraw/zinc/23/00/63/1069230063.db2.gz CTIQRAPORYRWCW-HYBUGGRVSA-N 1 0 450.583 3.780 20 0 JHADRO CC(C)C[C@@H](CNC(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1)[NH2+][C@@H](C)c1ccccc1 ZINC001306561524 1069231046 /nfs/dbraw/zinc/23/10/46/1069231046.db2.gz SBQNSWMEKMFYMZ-RXVVDRJESA-N 1 0 455.603 3.997 20 0 JHADRO CSc1cccc(Nc2ccc(NC(=O)NCCCC[NH+]3CCC(C(N)=O)CC3)nc2)c1 ZINC001310976445 1069237513 /nfs/dbraw/zinc/23/75/13/1069237513.db2.gz UWFPGJICIGRFDD-UHFFFAOYSA-N 1 0 456.616 3.646 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[NH+]1CCCCCC1 ZINC001306570211 1069237734 /nfs/dbraw/zinc/23/77/34/1069237734.db2.gz SAXVVWGNOPDOCR-FQEVSTJZSA-N 1 0 465.646 3.940 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001306573467 1069240525 /nfs/dbraw/zinc/24/05/25/1069240525.db2.gz ZZAMRXHOLJVQNM-SIKLNZKXSA-N 1 0 465.646 3.937 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001306577740 1069243136 /nfs/dbraw/zinc/24/31/36/1069243136.db2.gz RHBJOVYBQXAEMB-UTKZUKDTSA-N 1 0 468.602 3.942 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001306579805 1069244399 /nfs/dbraw/zinc/24/43/99/1069244399.db2.gz IPGBNTVYWHRXPL-LJQANCHMSA-N 1 0 474.675 3.539 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001306580717 1069245413 /nfs/dbraw/zinc/24/54/13/1069245413.db2.gz IRXLSGRNYXRAFB-RTWAWAEBSA-N 1 0 453.635 3.642 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001306583920 1069248726 /nfs/dbraw/zinc/24/87/26/1069248726.db2.gz DOYHJNKFKRUCOU-GSPCLOLRSA-N 1 0 474.694 3.915 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001306586349 1069252791 /nfs/dbraw/zinc/25/27/91/1069252791.db2.gz QIYTVWOCZHJTMU-OLKYXYMISA-N 1 0 488.721 3.958 20 0 JHADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001306586966 1069254295 /nfs/dbraw/zinc/25/42/95/1069254295.db2.gz SYEYTYKWDCYCRW-FKBYEOEOSA-N 1 0 474.694 3.915 20 0 JHADRO COC(=O)c1cc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(Cl)cc1NC(C)=O ZINC001311191510 1069293476 /nfs/dbraw/zinc/29/34/76/1069293476.db2.gz POIUMNRFAHMAHK-LJQANCHMSA-N 1 0 450.898 3.649 20 0 JHADRO CCC[C@H]1CN(c2nnc(C(C)C)n2CC2CCN(CC(F)(F)F)CC2)CC[N@@H+]1CCOC ZINC001306616956 1069298985 /nfs/dbraw/zinc/29/89/85/1069298985.db2.gz IUYJYVCSXSGFFU-FQEVSTJZSA-N 1 0 474.616 3.613 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC001306616788 1069298997 /nfs/dbraw/zinc/29/89/97/1069298997.db2.gz JIUVDZDCSACYGH-ZHALLVOQSA-N 1 0 495.466 3.540 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001306619460 1069303506 /nfs/dbraw/zinc/30/35/06/1069303506.db2.gz BEZMDFMMCLLAOS-KNQAVFIVSA-N 1 0 467.593 3.615 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCc2sc(C)nc2C)CC[N@@H+]1CCOC ZINC001306620135 1069305648 /nfs/dbraw/zinc/30/56/48/1069305648.db2.gz FBLNBDPKCUOWJP-OAQYLSRUSA-N 1 0 469.659 3.593 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001306621165 1069307998 /nfs/dbraw/zinc/30/79/98/1069307998.db2.gz WEYMETXRXIRRQD-FQEVSTJZSA-N 1 0 492.462 3.824 20 0 JHADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000009083399 562955488 /nfs/dbraw/zinc/95/54/88/562955488.db2.gz BAPXCXFUSDGEEM-UHFFFAOYSA-N 1 0 495.601 3.988 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2nnc(C(C)(C)C)s2)CC[N@@H+]1CCOC ZINC001306621297 1069309819 /nfs/dbraw/zinc/30/98/19/1069309819.db2.gz XRRRBFCJSLDHBP-SFHVURJKSA-N 1 0 487.674 3.981 20 0 JHADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H]4COC[C@H]4C3)c21 ZINC001164387194 718818596 /nfs/dbraw/zinc/81/85/96/718818596.db2.gz DZZCKMPFGKLRSL-RBUKOAKNSA-N 1 0 453.970 3.869 20 0 JHADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC[C@@H]5[NH2+]CCO[C@H]5C4)c23)c1 ZINC001164390104 718825080 /nfs/dbraw/zinc/82/50/80/718825080.db2.gz MKHKHEYHCILVBP-ROUUACIJSA-N 1 0 455.653 3.973 20 0 JHADRO COc1cccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)cnc2Cl)c1 ZINC001164423193 718919804 /nfs/dbraw/zinc/91/98/04/718919804.db2.gz FKHNJXUUUFHDPC-OAQYLSRUSA-N 1 0 453.917 3.541 20 0 JHADRO Cc1nc2c(n1[C@@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)CC[NH2+]CC2 ZINC001164429933 718949355 /nfs/dbraw/zinc/94/93/55/718949355.db2.gz QUUFWMXLBNCOBN-QFIPXVFZSA-N 1 0 461.372 3.663 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164620960 719009876 /nfs/dbraw/zinc/00/98/76/719009876.db2.gz ZXPQPAWPVZULTC-GAJHUEQPSA-N 1 0 491.970 3.886 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)CC2)CC1 ZINC001164617082 719029523 /nfs/dbraw/zinc/02/95/23/719029523.db2.gz KEFGAYDSXQUMIS-UHFFFAOYSA-N 1 0 463.941 3.700 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c(-c5ccccc5)nsc43)CC2)CC1 ZINC001164618000 719032033 /nfs/dbraw/zinc/03/20/33/719032033.db2.gz QQKHLGSEKUICFF-UHFFFAOYSA-N 1 0 451.596 3.997 20 0 JHADRO COCCOc1cc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2cc1OCCOC ZINC001164625170 719063522 /nfs/dbraw/zinc/06/35/22/719063522.db2.gz MWWASNUHSLCTJM-WIOPSUGQSA-N 1 0 492.620 3.781 20 0 JHADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621088 719069862 /nfs/dbraw/zinc/06/98/62/719069862.db2.gz GZELOZQKRUJYLB-URXFXBBRSA-N 1 0 473.602 3.769 20 0 JHADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c2c1C ZINC001164621201 719122646 /nfs/dbraw/zinc/12/26/46/719122646.db2.gz LRFMSCWWVJKSJQ-SJORKVTESA-N 1 0 475.634 3.676 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cnoc3C)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164655305 719320956 /nfs/dbraw/zinc/32/09/56/719320956.db2.gz VXQUODJMQONMRD-QSHYMPABSA-N 1 0 467.614 3.729 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1 ZINC001164655835 719322194 /nfs/dbraw/zinc/32/21/94/719322194.db2.gz ZLCIOWGADKZMCY-JYFHCDHNSA-N 1 0 465.573 3.809 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1 ZINC001164655834 719322400 /nfs/dbraw/zinc/32/24/00/719322400.db2.gz ZLCIOWGADKZMCY-BVAGGSTKSA-N 1 0 465.573 3.809 20 0 JHADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5cccs5)c43)C[C@@H]21 ZINC001164668713 719445709 /nfs/dbraw/zinc/44/57/09/719445709.db2.gz KAGVVSWQXQGTSI-ZWKOTPCHSA-N 1 0 455.653 3.925 20 0 JHADRO CSc1cc(C)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680706 719668313 /nfs/dbraw/zinc/66/83/13/719668313.db2.gz HDMNPXDLQHCXJF-IBGZPJMESA-N 1 0 453.656 3.600 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(C(=O)NC(C)(C)C)ccn3)CC2)c2ccccc21 ZINC001164680062 719674566 /nfs/dbraw/zinc/67/45/66/719674566.db2.gz BEIRONXWERWRJM-QFIPXVFZSA-N 1 0 491.680 3.703 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3c(F)nc(F)nc3Cl)CC2)c2ccccc21 ZINC001164681894 719676669 /nfs/dbraw/zinc/67/66/69/719676669.db2.gz OBLNAJKEKQETCV-OAHLLOKOSA-N 1 0 463.960 3.502 20 0 JHADRO Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(-c2ccccn2)n1 ZINC001164683129 719677856 /nfs/dbraw/zinc/67/78/56/719677856.db2.gz QYWMVTJKNPSQEA-QFIPXVFZSA-N 1 0 484.648 3.940 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccc(OC)cc3)nnc1Cl)CC2 ZINC001164691142 719757493 /nfs/dbraw/zinc/75/74/93/719757493.db2.gz MKTZHXQAXOUKIX-UHFFFAOYSA-N 1 0 479.959 3.531 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164693029 719758847 /nfs/dbraw/zinc/75/88/47/719758847.db2.gz XDGZCVABRFXFKT-UHFFFAOYSA-N 1 0 467.923 3.662 20 0 JHADRO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164694527 719809354 /nfs/dbraw/zinc/80/93/54/719809354.db2.gz ZOSLKZBUWCSCEB-UHFFFAOYSA-N 1 0 450.008 3.768 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164810935 720083919 /nfs/dbraw/zinc/08/39/19/720083919.db2.gz MITBJOIWPGVWNW-CUNXSJBXSA-N 1 0 482.072 3.873 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164810995 720094488 /nfs/dbraw/zinc/09/44/88/720094488.db2.gz MRFJTFHXFPNWIR-QFQXNSOFSA-N 1 0 468.045 3.831 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c(OC)cc(OC)cc31)CC2 ZINC001164715305 720156502 /nfs/dbraw/zinc/15/65/02/720156502.db2.gz UMCFNWXWEASFRA-HXUWFJFHSA-N 1 0 463.582 3.550 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nnc1OC)CC2 ZINC001164711253 720156908 /nfs/dbraw/zinc/15/69/08/720156908.db2.gz AJDIJXGXZWBNDQ-KRWDZBQOSA-N 1 0 467.948 3.586 20 0 JHADRO Cc1ccc(-c2nc3ccccc3c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)n2)cc1 ZINC001164716601 720188167 /nfs/dbraw/zinc/18/81/67/720188167.db2.gz IRBRNALXVWAQSE-VWLOTQADSA-N 1 0 483.620 3.950 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)C2 ZINC001164814136 720206533 /nfs/dbraw/zinc/20/65/33/720206533.db2.gz SYBLWLSXIXFZKJ-HTAPYJJXSA-N 1 0 454.446 3.958 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CCC2 ZINC001164812017 720239962 /nfs/dbraw/zinc/23/99/62/720239962.db2.gz ARKDVYZQIALBRB-DEOSSOPVSA-N 1 0 486.979 3.732 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)c3ccccc3n2)CC1 ZINC001164820094 720294754 /nfs/dbraw/zinc/29/47/54/720294754.db2.gz GSEOPQJFMGNTJZ-RBUKOAKNSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)Oc2ccc3c(Cl)ncnc3c2)CC1 ZINC001164831964 720331035 /nfs/dbraw/zinc/33/10/35/720331035.db2.gz SMRWFMLXUUEDOP-UXHICEINSA-N 1 0 479.959 3.619 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3ccn(C(=O)c4ccccc4)c3n2)CC1 ZINC001164825376 720334119 /nfs/dbraw/zinc/33/41/19/720334119.db2.gz DHRZPUYOCFJVFN-ZEQRLZLVSA-N 1 0 471.605 3.636 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)CC1 ZINC001164830270 720336167 /nfs/dbraw/zinc/33/61/67/720336167.db2.gz PIKNUCYHOMXIMQ-RTBURBONSA-N 1 0 490.986 3.648 20 0 JHADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164823506 720339282 /nfs/dbraw/zinc/33/92/82/720339282.db2.gz GKRMAUFKDFIEND-FGZHOGPDSA-N 1 0 496.725 3.815 20 0 JHADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164823507 720339449 /nfs/dbraw/zinc/33/94/49/720339449.db2.gz GKRMAUFKDFIEND-VXKWHMMOSA-N 1 0 496.725 3.815 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3ccc(Cl)nn3)ccc2F)CC1 ZINC001164827465 720344719 /nfs/dbraw/zinc/34/47/19/720344719.db2.gz LRRHOTBQCBRKMB-LEWJYISDSA-N 1 0 457.981 3.848 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(F)ccc2-c2ccc(Cl)nn2)CC1 ZINC001164824391 720344885 /nfs/dbraw/zinc/34/48/85/720344885.db2.gz IDDBYQYMDYWSKY-SFTDATJTSA-N 1 0 457.981 3.848 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(SCc3ccccc3)ncn2)CC1 ZINC001164824268 720347332 /nfs/dbraw/zinc/34/73/32/720347332.db2.gz HTQXHNYVJNWEFV-FGZHOGPDSA-N 1 0 451.640 3.680 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cncc(OCc3cccc(Cl)c3)n2)CC1 ZINC001164821390 720351502 /nfs/dbraw/zinc/35/15/02/720351502.db2.gz AFNWNPWZFKDQSV-VXKWHMMOSA-N 1 0 470.017 3.621 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccnc(CSc3ccccc3)n2)CC1 ZINC001164821692 720352438 /nfs/dbraw/zinc/35/24/38/720352438.db2.gz BIQBBQFPQRHJMB-FGZHOGPDSA-N 1 0 451.640 3.680 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)C2(c3ccnc(Cl)c3)CC2)CC1 ZINC001164822274 720354659 /nfs/dbraw/zinc/35/46/59/720354659.db2.gz CYRFBOGFKJJWLM-OALUTQOASA-N 1 0 452.977 3.767 20 0 JHADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827510 720356251 /nfs/dbraw/zinc/35/62/51/720356251.db2.gz MMEVMOCFYMRAQX-PMACEKPBSA-N 1 0 460.981 3.947 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3CN(Cc3ccccc3)CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836517 720517327 /nfs/dbraw/zinc/51/73/27/720517327.db2.gz MVVWJPFXICGHTI-NLJOTIRTSA-N 1 0 471.653 3.609 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)CC[C@@H]21 ZINC001164832482 720519083 /nfs/dbraw/zinc/51/90/83/720519083.db2.gz AYVFQHXJKAPFKO-QYZOEREBSA-N 1 0 480.007 3.849 20 0 JHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001164735499 720524250 /nfs/dbraw/zinc/52/42/50/720524250.db2.gz YSUAKQGNOGXEBD-GOSISDBHSA-N 1 0 465.671 3.560 20 0 JHADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2c1C ZINC001164733035 720524511 /nfs/dbraw/zinc/52/45/11/720524511.db2.gz IIRHBPBATJWARH-LJQANCHMSA-N 1 0 490.633 3.772 20 0 JHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835007 720531937 /nfs/dbraw/zinc/53/19/37/720531937.db2.gz GPNHXNAZLDPQSR-FRQCXROJSA-N 1 0 467.948 3.641 20 0 JHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)Oc2cccc(COc3cncc(Cl)n3)c2)C1 ZINC001164734001 720533252 /nfs/dbraw/zinc/53/32/52/720533252.db2.gz FTGAYMIZAHPZKT-KRWDZBQOSA-N 1 0 478.931 3.528 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842143 720558099 /nfs/dbraw/zinc/55/80/99/720558099.db2.gz WYELLTARYLTVIZ-HSALFYBXSA-N 1 0 459.038 3.838 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc4ncnc(Cl)c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833784 720564475 /nfs/dbraw/zinc/56/44/75/720564475.db2.gz BPYOGOHOXSUAAK-SOLBZPMBSA-N 1 0 461.948 3.797 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736892 720577791 /nfs/dbraw/zinc/57/77/91/720577791.db2.gz VHWRLDQKGWDWEM-UHFFFAOYSA-N 1 0 459.932 3.592 20 0 JHADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843135 720578056 /nfs/dbraw/zinc/57/80/56/720578056.db2.gz WSPYOTJEDPNNTK-WRALFONMSA-N 1 0 475.641 3.590 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838760 720611897 /nfs/dbraw/zinc/61/18/97/720611897.db2.gz LPRSMDMPUXOHDQ-FUPPJEDESA-N 1 0 471.049 3.935 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)CC[C@@H]21 ZINC001164842170 720631789 /nfs/dbraw/zinc/63/17/89/720631789.db2.gz UBCCNXTXRFZBJY-BZSNNMDCSA-N 1 0 477.947 3.904 20 0 JHADRO COC(=O)c1c(Cl)cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1OC ZINC001164838201 720706252 /nfs/dbraw/zinc/70/62/52/720706252.db2.gz HHNNLIFDQQDWOQ-GOSISDBHSA-N 1 0 459.974 3.790 20 0 JHADRO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)C1 ZINC001164836484 720713958 /nfs/dbraw/zinc/71/39/58/720713958.db2.gz BHQNDJBKSSEMLU-ZEQRLZLVSA-N 1 0 493.652 3.516 20 0 JHADRO CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164836459 720715795 /nfs/dbraw/zinc/71/57/95/720715795.db2.gz AXJZMIOPLFPWBT-HSZRJFAPSA-N 1 0 486.682 3.808 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164840439 720727333 /nfs/dbraw/zinc/72/73/33/720727333.db2.gz QXTABTATALWLCT-WOJBJXKFSA-N 1 0 458.990 3.558 20 0 JHADRO c1ccc(-c2ccc(-c3ccc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164740966 720783191 /nfs/dbraw/zinc/78/31/91/720783191.db2.gz LUCWGURPAPDUFD-BJKOFHAPSA-N 1 0 450.546 3.943 20 0 JHADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740226 720816288 /nfs/dbraw/zinc/81/62/88/720816288.db2.gz JQBZIMIDRVKGIT-DJPFJPOOSA-N 1 0 473.959 3.799 20 0 JHADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164744099 720818716 /nfs/dbraw/zinc/81/87/16/720818716.db2.gz UFHUWQPCDGVJLJ-FRQCXROJSA-N 1 0 491.949 3.938 20 0 JHADRO Clc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164738079 720822732 /nfs/dbraw/zinc/82/27/32/720822732.db2.gz DQESYYQWCREFSS-OXFYSEKESA-N 1 0 458.397 3.908 20 0 JHADRO Clc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(Cc2ccccc2)n1 ZINC001164738048 720824174 /nfs/dbraw/zinc/82/41/74/720824174.db2.gz DPCMFBDLMMXNJY-BHIFYINESA-N 1 0 464.017 3.692 20 0 JHADRO Fc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc(Cl)c2c1 ZINC001164742644 720826674 /nfs/dbraw/zinc/82/66/74/720826674.db2.gz QFLSDHUNYKYVAA-RIFZZMRRSA-N 1 0 491.949 3.938 20 0 JHADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742050 720827921 /nfs/dbraw/zinc/82/79/21/720827921.db2.gz PFXXCBCLAOPCRC-BFYDXBDKSA-N 1 0 457.356 3.904 20 0 JHADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743953 720835567 /nfs/dbraw/zinc/83/55/67/720835567.db2.gz JZCLXTMKNXJTDI-SLYNCCJLSA-N 1 0 473.959 3.799 20 0 JHADRO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164751006 720838195 /nfs/dbraw/zinc/83/81/95/720838195.db2.gz XQHVBRICBYHYIM-CNNODRBYSA-N 1 0 452.990 3.868 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(OC)cc4)nc4ccc(F)cc43)CC[C@H]2C1 ZINC001164850278 720844828 /nfs/dbraw/zinc/84/48/28/720844828.db2.gz FCINFPVOROWUDU-CYFREDJKSA-N 1 0 466.557 3.618 20 0 JHADRO CCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C2)n1)CCC3 ZINC001164751779 720845719 /nfs/dbraw/zinc/84/57/19/720845719.db2.gz YNSHAOVXPOJOEG-QWFCFKBJSA-N 1 0 463.655 3.713 20 0 JHADRO c1ncn(C[C@@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164747715 720846672 /nfs/dbraw/zinc/84/66/72/720846672.db2.gz RJUCCBGRDZIYIQ-WRALFONMSA-N 1 0 466.593 3.663 20 0 JHADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739503 720848950 /nfs/dbraw/zinc/84/89/50/720848950.db2.gz AOVUOHHTSPALEI-FUHIMQAGSA-N 1 0 489.958 3.906 20 0 JHADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751103 720849762 /nfs/dbraw/zinc/84/97/62/720849762.db2.gz YNAQDZDIDGFSSA-ABSDTBQOSA-N 1 0 473.959 3.799 20 0 JHADRO c1ncn(C[C@H]2C[C@H]3CN(c4cc(SCc5ccccc5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748691 720853602 /nfs/dbraw/zinc/85/36/02/720853602.db2.gz LRKSJJZLHXGTRL-YTFSRNRJSA-N 1 0 461.639 3.740 20 0 JHADRO Clc1cccc(COc2cncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164744098 720857325 /nfs/dbraw/zinc/85/73/25/720857325.db2.gz BOPSOUZKYVQNMS-MDNUFGMLSA-N 1 0 480.016 3.680 20 0 JHADRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1N1CCCC1 ZINC001164750694 720867589 /nfs/dbraw/zinc/86/75/89/720867589.db2.gz JNPPLXLDBHARGB-SHQCIBLASA-N 1 0 462.642 3.535 20 0 JHADRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1N1CCCC1 ZINC001164750699 720868332 /nfs/dbraw/zinc/86/83/32/720868332.db2.gz 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CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(C)CCCS2)CC[N@@H+]1CCOC ZINC001306624449 1069318041 /nfs/dbraw/zinc/31/80/41/1069318041.db2.gz KDAHQCLDXQTXOD-ZRCGQRJVSA-N 1 0 451.681 3.743 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)c2ncc(C)s2)CC[N@@H+]1CCOC ZINC001306626097 1069320939 /nfs/dbraw/zinc/32/09/39/1069320939.db2.gz WFRPINNCLFMHNE-HLAWJBBLSA-N 1 0 476.691 3.678 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2Cc2cnc(C)s2)CC[N@@H+]1CCOC ZINC001306626372 1069321585 /nfs/dbraw/zinc/32/15/85/1069321585.db2.gz GJSOWFVINRMALL-JOCHJYFZSA-N 1 0 468.671 3.928 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001306628122 1069324929 /nfs/dbraw/zinc/32/49/29/1069324929.db2.gz CKBSAUYSYPRSOK-ILBGXUMGSA-N 1 0 485.673 3.836 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ccccc1 ZINC001311327291 1069324967 /nfs/dbraw/zinc/32/49/67/1069324967.db2.gz QLRWNMMYUQYUFM-MOPGFXCFSA-N 1 0 454.575 3.973 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001306628125 1069325973 /nfs/dbraw/zinc/32/59/73/1069325973.db2.gz CKBSAUYSYPRSOK-NOZRDPDXSA-N 1 0 485.673 3.836 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC(C)C)n2Cc2ccc3c(c2)OC(C)(C)O3)CC[N@@H+]1CCOC ZINC001306628548 1069326742 /nfs/dbraw/zinc/32/67/42/1069326742.db2.gz GNGQKNQUFGTSKD-NRFANRHFSA-N 1 0 471.646 3.969 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccsc3)n2CC2(O)CCCCCC2)CC[N@@H+]1CCOC ZINC001306630723 1069330549 /nfs/dbraw/zinc/33/05/49/1069330549.db2.gz XSFVISUNOMMXAN-QFIPXVFZSA-N 1 0 475.703 3.953 20 0 JHADRO COc1ccc([C@H](CNC(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)[NH+]2CCCC2)cc1 ZINC001311343276 1069330675 /nfs/dbraw/zinc/33/06/75/1069330675.db2.gz CREMUIAJECQQEE-UNMCSNQZSA-N 1 0 456.974 3.590 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)[NH+]2CCCC2)cc1 ZINC001311343274 1069330781 /nfs/dbraw/zinc/33/07/81/1069330781.db2.gz CREMUIAJECQQEE-RBBKRZOGSA-N 1 0 456.974 3.590 20 0 JHADRO CCC[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)CCO1 ZINC001306630876 1069331096 /nfs/dbraw/zinc/33/10/96/1069331096.db2.gz DRHUYDRZEYZAIM-FQEVSTJZSA-N 1 0 480.451 3.965 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)CCO1 ZINC001306630877 1069331168 /nfs/dbraw/zinc/33/11/68/1069331168.db2.gz DRHUYDRZEYZAIM-HXUWFJFHSA-N 1 0 480.451 3.965 20 0 JHADRO COc1ccc([C@H](CNC(=O)N[C@H](CC(N)=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC001311343926 1069331323 /nfs/dbraw/zinc/33/13/23/1069331323.db2.gz MVMBDVVYVHBBDW-YADHBBJMSA-N 1 0 458.990 3.792 20 0 JHADRO CCC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC(F)(F)F)CC[N@@H+]1CCOC ZINC001306631312 1069331424 /nfs/dbraw/zinc/33/14/24/1069331424.db2.gz GHYDLOMABRFAPE-IBGZPJMESA-N 1 0 469.552 3.973 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCn3cc(C)nc32)CC[N@@H+]1CCOC ZINC001306632000 1069333130 /nfs/dbraw/zinc/33/31/30/1069333130.db2.gz VROMGCVUSZLBLP-FCHUYYIVSA-N 1 0 471.694 3.886 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCn3cc(C)nc32)CC[N@@H+]1CCOC ZINC001306632001 1069333027 /nfs/dbraw/zinc/33/30/27/1069333027.db2.gz VROMGCVUSZLBLP-FGZHOGPDSA-N 1 0 471.694 3.886 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC2CCC(F)(F)CC2)CC[N@@H+]1CCOC ZINC001306632461 1069334703 /nfs/dbraw/zinc/33/47/03/1069334703.db2.gz YMJJNORVJQEVDR-UXHICEINSA-N 1 0 455.594 3.545 20 0 JHADRO CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)CC1 ZINC001311347540 1069334314 /nfs/dbraw/zinc/33/43/14/1069334314.db2.gz FWUKHPLTUSUCGY-XMMPIXPASA-N 1 0 458.647 3.509 20 0 JHADRO O=C(NCCC[NH2+]C1CCCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001306632940 1069335118 /nfs/dbraw/zinc/33/51/18/1069335118.db2.gz FEGNVRQVQQLFBE-UHFFFAOYSA-N 1 0 450.421 3.730 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N2CCC[C@@H](c3cncn3C(C)(C)C)C2)[NH+](C)C)cc1OC ZINC001311350692 1069336974 /nfs/dbraw/zinc/33/69/74/1069336974.db2.gz XIKUAQUQNROOTL-WOJBJXKFSA-N 1 0 457.619 3.847 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)C)CC[N@@H+]1CCOC ZINC001306633961 1069338555 /nfs/dbraw/zinc/33/85/55/1069338555.db2.gz DNKDBSTXNNVKPU-HBMCJLEFSA-N 1 0 478.682 3.642 20 0 JHADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NCCCc3c[nH]c4ccc(F)cc34)cc2)CC1 ZINC001311358603 1069342858 /nfs/dbraw/zinc/34/28/58/1069342858.db2.gz SIUYPJLIRVVILQ-UHFFFAOYSA-N 1 0 451.590 3.877 20 0 JHADRO C[C@@H](NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C(=O)NCCc1ccccc1 ZINC001311359237 1069343219 /nfs/dbraw/zinc/34/32/19/1069343219.db2.gz JODKPEFUVUDPIL-BHIFYINESA-N 1 0 450.627 3.711 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)C)CC[N@@H+]1CCOC ZINC001306635777 1069343692 /nfs/dbraw/zinc/34/36/92/1069343692.db2.gz SILSADYOOWTYCH-RTWAWAEBSA-N 1 0 478.682 3.943 20 0 JHADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC001311370202 1069347946 /nfs/dbraw/zinc/34/79/46/1069347946.db2.gz NSAQQEZYZWFCDH-DHIUTWEWSA-N 1 0 455.002 3.967 20 0 JHADRO CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001306641804 1069353192 /nfs/dbraw/zinc/35/31/92/1069353192.db2.gz REEYXSQWGGHYNC-FQEVSTJZSA-N 1 0 489.462 3.641 20 0 JHADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC001311395113 1069360464 /nfs/dbraw/zinc/36/04/64/1069360464.db2.gz IMMZQGGXXISPSD-UTKZUKDTSA-N 1 0 454.453 3.718 20 0 JHADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC001311395114 1069360585 /nfs/dbraw/zinc/36/05/85/1069360585.db2.gz IMMZQGGXXISPSD-UWJYYQICSA-N 1 0 454.453 3.718 20 0 JHADRO Cc1cccc([C@@H](CNC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)N2CCOCC2)c1 ZINC001311389779 1069357757 /nfs/dbraw/zinc/35/77/57/1069357757.db2.gz AKLKFWATCHHOIK-IZZNHLLZSA-N 1 0 452.643 3.824 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(Cl)ccc1N1CCOCC1)Cc1ccccc1 ZINC001311391620 1069358936 /nfs/dbraw/zinc/35/89/36/1069358936.db2.gz GPHQMWLEFYZHNU-HSZRJFAPSA-N 1 0 459.034 3.929 20 0 JHADRO CC[C@@H](CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC001311394379 1069359638 /nfs/dbraw/zinc/35/96/38/1069359638.db2.gz BIWLXSCPRBFAOI-IZZNHLLZSA-N 1 0 450.627 3.504 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)C1 ZINC001311402588 1069362204 /nfs/dbraw/zinc/36/22/04/1069362204.db2.gz BKHWSOUDSLBHLI-KGVIQGDOSA-N 1 0 452.437 3.810 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1)c1ccsc1 ZINC001311403332 1069362669 /nfs/dbraw/zinc/36/26/69/1069362669.db2.gz WSOOCEPVJIEIBH-VQTJNVASSA-N 1 0 459.616 3.749 20 0 JHADRO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)[NH+](C)C)cc1 ZINC001311405554 1069364474 /nfs/dbraw/zinc/36/44/74/1069364474.db2.gz QAMVBZOEGIVXDL-ZEQRLZLVSA-N 1 0 452.599 3.739 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C[C@H]21 ZINC001311405490 1069364557 /nfs/dbraw/zinc/36/45/57/1069364557.db2.gz WICIJDLZRLNQIS-YTFSRNRJSA-N 1 0 456.631 3.770 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 ZINC001311418871 1069367878 /nfs/dbraw/zinc/36/78/78/1069367878.db2.gz NLPKESWERRLHCV-NRFANRHFSA-N 1 0 450.505 3.715 20 0 JHADRO CN1CC[N@H+](CCCNC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)[C@@H](c2ccccc2)C1 ZINC001311422778 1069370981 /nfs/dbraw/zinc/37/09/81/1069370981.db2.gz JPVSXOMTENVNCA-ZLNRFVROSA-N 1 0 456.656 3.724 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)NCC1(C(F)(F)F)CC1 ZINC001311423565 1069371517 /nfs/dbraw/zinc/37/15/17/1069371517.db2.gz NYGLHABQZAOZCA-UHFFFAOYSA-N 1 0 452.443 3.859 20 0 JHADRO CCCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCCCC3)CC2)c(C)n1 ZINC001306658113 1069372645 /nfs/dbraw/zinc/37/26/45/1069372645.db2.gz YCBJQGIWDUQNNB-UHFFFAOYSA-N 1 0 484.693 3.614 20 0 JHADRO COc1ccc(C[C@@H](C)CN(C)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC001311424174 1069372651 /nfs/dbraw/zinc/37/26/51/1069372651.db2.gz PYMDNIIPXUPSES-GJZUVCINSA-N 1 0 452.643 3.894 20 0 JHADRO CO[C@H](C)c1nc(CN2CCCN(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)cs1 ZINC001311430241 1069376366 /nfs/dbraw/zinc/37/63/66/1069376366.db2.gz JHDXRXOMQUFRDQ-WOJBJXKFSA-N 1 0 451.681 3.722 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCCC2)CC1 ZINC001306661763 1069381905 /nfs/dbraw/zinc/38/19/05/1069381905.db2.gz HOBVQFWEHPGWTO-UHFFFAOYSA-N 1 0 488.080 3.954 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001306663554 1069385891 /nfs/dbraw/zinc/38/58/91/1069385891.db2.gz KSWLRWNRNOGPSC-OAQYLSRUSA-N 1 0 482.673 3.913 20 0 JHADRO CO[C@@](C)(CNC(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC001311452976 1069386070 /nfs/dbraw/zinc/38/60/70/1069386070.db2.gz UPABFKQHKWPHFZ-QFIPXVFZSA-N 1 0 456.553 3.722 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001306666552 1069394487 /nfs/dbraw/zinc/39/44/87/1069394487.db2.gz XEJAHYCOQDABMI-VBANMALSSA-N 1 0 488.721 3.767 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311468976 1069392491 /nfs/dbraw/zinc/39/24/91/1069392491.db2.gz GGRWLNZURNCENP-BJKOFHAPSA-N 1 0 452.599 3.521 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(CC)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001306665984 1069393188 /nfs/dbraw/zinc/39/31/88/1069393188.db2.gz RMUBNAIYFYALDN-JOCHJYFZSA-N 1 0 458.626 3.757 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001306666093 1069393622 /nfs/dbraw/zinc/39/36/22/1069393622.db2.gz SRUBZNWATJWVNP-GMAHTHKFSA-N 1 0 486.661 3.891 20 0 JHADRO CCCCN(C)c1nnc(-c2ccccc2Br)n1CCC[NH+]1CCN(CC)CC1 ZINC001306668204 1069396203 /nfs/dbraw/zinc/39/62/03/1069396203.db2.gz GNQMEZXIXNNNKD-UHFFFAOYSA-N 1 0 463.468 3.972 20 0 JHADRO C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@]2(C)Cc2cccc(Br)c2)CC1 ZINC001311479947 1069397187 /nfs/dbraw/zinc/39/71/87/1069397187.db2.gz GCFSAWLFBQQXIM-JOCHJYFZSA-N 1 0 451.453 3.582 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2CCc2nnc(C)s2)CC1 ZINC001306678124 1069402491 /nfs/dbraw/zinc/40/24/91/1069402491.db2.gz HUDRYODTONRXPR-UHFFFAOYSA-N 1 0 468.675 3.999 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NCCc3ccc([Si](C)(C)C)cc3)cc2)C[C@@H](C)O1 ZINC001311494548 1069404894 /nfs/dbraw/zinc/40/48/94/1069404894.db2.gz FZIQBAHTHGCWMP-NHCUHLMSSA-N 1 0 453.703 3.883 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001306680797 1069408296 /nfs/dbraw/zinc/40/82/96/1069408296.db2.gz FZVMMKIMKMEVAL-UHFFFAOYSA-N 1 0 478.645 3.514 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001306680600 1069407713 /nfs/dbraw/zinc/40/77/13/1069407713.db2.gz QXJVRIVLNBYMCC-NHCUHLMSSA-N 1 0 486.627 3.962 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CCC([C@](C)(O)C(F)(F)F)CC3)cc2)C[C@@H](C)O1 ZINC001311498784 1069407751 /nfs/dbraw/zinc/40/77/51/1069407751.db2.gz WVJNLSYQSGGRPN-YVHKJVDXSA-N 1 0 457.537 3.531 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NC[C@]3(O)CCC[C@@H](C(F)(F)F)C3)cc2)C[C@@H](C)O1 ZINC001311498756 1069407885 /nfs/dbraw/zinc/40/78/85/1069407885.db2.gz WONDKCMWKXQKAL-PCBBRVBVSA-N 1 0 457.537 3.579 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC001306681403 1069410331 /nfs/dbraw/zinc/41/03/31/1069410331.db2.gz LUMXYGRVFAMFLP-QUCCMNQESA-N 1 0 475.707 3.903 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc(C)on1 ZINC001306681972 1069411879 /nfs/dbraw/zinc/41/18/79/1069411879.db2.gz YJUDCFZLGNPTDV-UHFFFAOYSA-N 1 0 464.412 3.711 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001306682027 1069411940 /nfs/dbraw/zinc/41/19/40/1069411940.db2.gz ZZFNVIXTZMPBPE-HXUWFJFHSA-N 1 0 484.670 3.547 20 0 JHADRO CCOc1ccc([C@@H](O)C2CCN(C(=O)NCc3cccc(OCC[NH+](C)C)c3)CC2)cc1 ZINC001311500116 1069408924 /nfs/dbraw/zinc/40/89/24/1069408924.db2.gz NNUYYRCFZMYSGN-RUZDIDTESA-N 1 0 455.599 3.681 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001306681389 1069409677 /nfs/dbraw/zinc/40/96/77/1069409677.db2.gz LKBACMZZKWDOII-VQTJNVASSA-N 1 0 476.572 3.526 20 0 JHADRO Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)NCc2cccc(OCC[NH+](C)C)c2)cn1 ZINC001311500549 1069409788 /nfs/dbraw/zinc/40/97/88/1069409788.db2.gz WBQTZECTPZIJSL-UHFFFAOYSA-N 1 0 455.990 3.926 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC(Cn2cncn2)CC1 ZINC001306683354 1069416510 /nfs/dbraw/zinc/41/65/10/1069416510.db2.gz SDXZNUNHQRQEBM-UHFFFAOYSA-N 1 0 457.026 3.839 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001306682401 1069413136 /nfs/dbraw/zinc/41/31/36/1069413136.db2.gz GCCRNIRWUQTXIR-UHFFFAOYSA-N 1 0 493.534 3.794 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001306682562 1069413986 /nfs/dbraw/zinc/41/39/86/1069413986.db2.gz IIAUBXZSSNPNNY-SFHVURJKSA-N 1 0 468.568 3.758 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306682766 1069414757 /nfs/dbraw/zinc/41/47/57/1069414757.db2.gz KOAWNKPJCUMUQY-UHFFFAOYSA-N 1 0 481.519 3.754 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC001306682914 1069415334 /nfs/dbraw/zinc/41/53/34/1069415334.db2.gz MFEUXLMLYFCJSA-SFHVURJKSA-N 1 0 473.025 3.876 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001306683617 1069418040 /nfs/dbraw/zinc/41/80/40/1069418040.db2.gz YFPCKYGCLKXGCN-UHFFFAOYSA-N 1 0 456.635 3.900 20 0 JHADRO C[C@@H]1CN(C(C)(C)CNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C[C@H](C)O1 ZINC001311510114 1069415832 /nfs/dbraw/zinc/41/58/32/1069415832.db2.gz CQSGXOGCGARULU-BGYRXZFFSA-N 1 0 453.583 3.731 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001306683214 1069415984 /nfs/dbraw/zinc/41/59/84/1069415984.db2.gz VOSIHZSHAYYTBZ-JOCHJYFZSA-N 1 0 459.660 3.849 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001306684087 1069418595 /nfs/dbraw/zinc/41/85/95/1069418595.db2.gz ILGWHQSEMKTUND-UHFFFAOYSA-N 1 0 471.556 3.793 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001306683916 1069418829 /nfs/dbraw/zinc/41/88/29/1069418829.db2.gz FLYNZZONJHTUCA-UHFFFAOYSA-N 1 0 456.038 3.981 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001306684179 1069419527 /nfs/dbraw/zinc/41/95/27/1069419527.db2.gz HSBMOFUBLGOLMG-QHCPKHFHSA-N 1 0 474.694 3.917 20 0 JHADRO CCCC[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CCOCC1 ZINC001306685364 1069420683 /nfs/dbraw/zinc/42/06/83/1069420683.db2.gz BPKGSPKULMEQNN-UHFFFAOYSA-N 1 0 492.709 3.987 20 0 JHADRO CCCC[N@H+](C)CCn1c(CC(C)C)nnc1N1CCN(c2ncnc3sccc32)CC1 ZINC001306686067 1069422020 /nfs/dbraw/zinc/42/20/20/1069422020.db2.gz QRRONMUHPSOBQO-UHFFFAOYSA-N 1 0 456.664 3.540 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306686322 1069422382 /nfs/dbraw/zinc/42/23/82/1069422382.db2.gz BGNTYDRVMUYIKP-IBGZPJMESA-N 1 0 462.664 3.766 20 0 JHADRO CCCC[N@H+](C)CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001306686223 1069422543 /nfs/dbraw/zinc/42/25/43/1069422543.db2.gz SKWAJORZRCVJGG-UHFFFAOYSA-N 1 0 479.044 3.963 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCc2ccc(OC)cc2C1 ZINC001306687790 1069424660 /nfs/dbraw/zinc/42/46/60/1069424660.db2.gz KFNPFYIHTAMBJA-UHFFFAOYSA-N 1 0 454.644 3.937 20 0 JHADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC001311534667 1069426967 /nfs/dbraw/zinc/42/69/67/1069426967.db2.gz FQQSYUFJUIDJRH-ZCYQVOJMSA-N 1 0 451.611 3.782 20 0 JHADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H](C2CC2)C2(CO)CCOCC2)cc1 ZINC001311538510 1069430248 /nfs/dbraw/zinc/43/02/48/1069430248.db2.gz MRLARHQLJCTJNC-RUZDIDTESA-N 1 0 451.611 3.782 20 0 JHADRO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC001311550446 1069434629 /nfs/dbraw/zinc/43/46/29/1069434629.db2.gz GUOGNFJILBWQIN-DEOSSOPVSA-N 1 0 453.631 3.753 20 0 JHADRO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC001311550447 1069434652 /nfs/dbraw/zinc/43/46/52/1069434652.db2.gz GUOGNFJILBWQIN-XMMPIXPASA-N 1 0 453.631 3.753 20 0 JHADRO Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)C2)cc1 ZINC001311569422 1069442244 /nfs/dbraw/zinc/44/22/44/1069442244.db2.gz WBBGUORCMQRNPC-VWNXMTODSA-N 1 0 451.615 3.711 20 0 JHADRO CCc1ccc([C@H](CNC(=O)N(Cc2cncs2)C2CCN(C(C)=O)CC2)[NH+](C)C)cc1 ZINC001311573851 1069445173 /nfs/dbraw/zinc/44/51/73/1069445173.db2.gz WONXWLDIPDLARO-QHCPKHFHSA-N 1 0 457.644 3.531 20 0 JHADRO CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001306708196 1069442596 /nfs/dbraw/zinc/44/25/96/1069442596.db2.gz GADHQNOIJHVTTF-OAQYLSRUSA-N 1 0 476.666 3.841 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1 ZINC001311570411 1069442827 /nfs/dbraw/zinc/44/28/27/1069442827.db2.gz JDTXQBPPZRJIAI-XZOQPEGZSA-N 1 0 458.553 3.838 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1cccc(F)c1 ZINC001311571986 1069443837 /nfs/dbraw/zinc/44/38/37/1069443837.db2.gz RVVSQGYYUXNPCG-NFBKMPQASA-N 1 0 456.562 3.776 20 0 JHADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001311574055 1069445060 /nfs/dbraw/zinc/44/50/60/1069445060.db2.gz ARRJECXTEBGBPW-ROUUACIJSA-N 1 0 450.967 3.782 20 0 JHADRO CCCCn1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c(C)n1 ZINC001306719157 1069452319 /nfs/dbraw/zinc/45/23/19/1069452319.db2.gz JHYVRANPSGWPIG-OAQYLSRUSA-N 1 0 457.667 3.836 20 0 JHADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001311585156 1069451188 /nfs/dbraw/zinc/45/11/88/1069451188.db2.gz YBQIYTVSIPXLTH-RTBURBONSA-N 1 0 454.681 3.825 20 0 JHADRO COc1ccc(C2=NO[C@@H](CNC(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)C2)cc1 ZINC001311589399 1069453578 /nfs/dbraw/zinc/45/35/78/1069453578.db2.gz VPAFEGCXZLBGKG-JOCHJYFZSA-N 1 0 456.974 3.805 20 0 JHADRO CCCCn1cc(Cn2c([C@@H]3CCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c(C)n1 ZINC001306720905 1069456172 /nfs/dbraw/zinc/45/61/72/1069456172.db2.gz YSGWRIBOLJMTOJ-OAQYLSRUSA-N 1 0 457.667 3.694 20 0 JHADRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC001311595127 1069456756 /nfs/dbraw/zinc/45/67/56/1069456756.db2.gz NVCBFYOZAKQFGH-DLBZAZTESA-N 1 0 458.632 3.549 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001306721542 1069457870 /nfs/dbraw/zinc/45/78/70/1069457870.db2.gz BDKJANNNLJKLNI-TUNNFDKTSA-N 1 0 486.636 3.879 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001306722454 1069460355 /nfs/dbraw/zinc/46/03/55/1069460355.db2.gz LNZMWAUZRGDKGZ-NQIIRXRSSA-N 1 0 459.038 3.920 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001306723324 1069462898 /nfs/dbraw/zinc/46/28/98/1069462898.db2.gz RNININFGFJPLTL-JWQCQUIFSA-N 1 0 482.673 3.503 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001306723507 1069463403 /nfs/dbraw/zinc/46/34/03/1069463403.db2.gz SRXINPPTCOBOMW-HSALFYBXSA-N 1 0 465.664 3.759 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001306723661 1069464022 /nfs/dbraw/zinc/46/40/22/1069464022.db2.gz UHBPNTCNDGKZEE-RTWAWAEBSA-N 1 0 482.677 3.521 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@@H]1C ZINC001306723758 1069464057 /nfs/dbraw/zinc/46/40/57/1069464057.db2.gz UZMSQDLJAOGGOK-FUHWJXTLSA-N 1 0 465.440 3.915 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001306723659 1069464093 /nfs/dbraw/zinc/46/40/93/1069464093.db2.gz UHBPNTCNDGKZEE-LEWJYISDSA-N 1 0 482.677 3.521 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC)(CC)C1 ZINC001306724894 1069465849 /nfs/dbraw/zinc/46/58/49/1069465849.db2.gz AADRWTDMXPYOPT-LEWJYISDSA-N 1 0 465.708 3.851 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306726051 1069467867 /nfs/dbraw/zinc/46/78/67/1069467867.db2.gz JSWZPVUNCJEEGU-RBUKOAKNSA-N 1 0 471.568 3.784 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(N)=O)CC1 ZINC001306726216 1069468869 /nfs/dbraw/zinc/46/88/69/1069468869.db2.gz KHMLEVSVPHCVMJ-HXUWFJFHSA-N 1 0 488.627 3.894 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001306727069 1069471178 /nfs/dbraw/zinc/47/11/78/1069471178.db2.gz CKZCGRRAXSYFAP-HPAIXVDQSA-N 1 0 463.667 3.518 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306726455 1069469474 /nfs/dbraw/zinc/46/94/74/1069469474.db2.gz MOIWQFOFSMOSRM-BJKOFHAPSA-N 1 0 488.721 3.910 20 0 JHADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001311620600 1069471577 /nfs/dbraw/zinc/47/15/77/1069471577.db2.gz SUGUGSCUHWHPQH-OAQYLSRUSA-N 1 0 451.398 3.744 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001306729557 1069478652 /nfs/dbraw/zinc/47/86/52/1069478652.db2.gz KZLDAGXWVZAIGX-FCHUYYIVSA-N 1 0 490.693 3.615 20 0 JHADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCCC[C@H](C2CCOCC2)C1 ZINC001311630243 1069478799 /nfs/dbraw/zinc/47/87/99/1069478799.db2.gz MXQMIGCYPPGMHX-SANMLTNESA-N 1 0 456.675 3.823 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC3CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001306729838 1069479709 /nfs/dbraw/zinc/47/97/09/1069479709.db2.gz AVRZDIXFLWZDJH-VVSUKSJXSA-N 1 0 488.721 3.640 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306731072 1069484473 /nfs/dbraw/zinc/48/44/73/1069484473.db2.gz ONYJKOOBWXHCOZ-DNQXCXABSA-N 1 0 458.695 3.970 20 0 JHADRO Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccccc3C[N@H+](C)C3CCCCC3)C2)n(C)n1 ZINC001311646158 1069487292 /nfs/dbraw/zinc/48/72/92/1069487292.db2.gz ZUTPHOUYXICAFV-HSZRJFAPSA-N 1 0 452.647 3.961 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 ZINC001306732928 1069491701 /nfs/dbraw/zinc/49/17/01/1069491701.db2.gz WXCDNXLMDZACEX-RCZVLFRGSA-N 1 0 459.610 3.706 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 ZINC001306732926 1069491741 /nfs/dbraw/zinc/49/17/41/1069491741.db2.gz WXCDNXLMDZACEX-DHLKQENFSA-N 1 0 459.610 3.706 20 0 JHADRO C[C@@H]1CCC[C@@](CNC(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)([NH+](C)C)C1 ZINC001311658702 1069491799 /nfs/dbraw/zinc/49/17/99/1069491799.db2.gz WKAMSPCINBWRBX-SSEPRJSISA-N 1 0 450.627 3.724 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCCC2)C1 ZINC001306734097 1069495507 /nfs/dbraw/zinc/49/55/07/1069495507.db2.gz AEURFVOVIRBPAK-GOSISDBHSA-N 1 0 477.028 3.966 20 0 JHADRO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1c1ccc(F)cc1 ZINC001311664901 1069494020 /nfs/dbraw/zinc/49/40/20/1069494020.db2.gz NLBXPBJHWQGJJB-PKTZIBPZSA-N 1 0 450.514 3.593 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCOC3)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001306735118 1069498922 /nfs/dbraw/zinc/49/89/22/1069498922.db2.gz WLEFESFYQVJWHW-BJESRGMDSA-N 1 0 474.694 3.568 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCC2)C1 ZINC001306735400 1069499970 /nfs/dbraw/zinc/49/99/70/1069499970.db2.gz QTYUSIVZTIRZEG-FYYLOGMGSA-N 1 0 452.647 3.952 20 0 JHADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001311687485 1069503420 /nfs/dbraw/zinc/50/34/20/1069503420.db2.gz DRYJGCBMRHUEPY-YHDSQAASSA-N 1 0 462.610 3.948 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CC=CCC2)C1 ZINC001306738431 1069509657 /nfs/dbraw/zinc/50/96/57/1069509657.db2.gz ZTCRCNRVQNBYSO-YADHBBJMSA-N 1 0 480.657 3.737 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)C1 ZINC001311705155 1069511134 /nfs/dbraw/zinc/51/11/34/1069511134.db2.gz PLIKMQLXHYRUJY-SCTDSRPQSA-N 1 0 459.553 3.843 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)C1 ZINC001311705156 1069511241 /nfs/dbraw/zinc/51/12/41/1069511241.db2.gz PLIKMQLXHYRUJY-ZHALLVOQSA-N 1 0 459.553 3.843 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001306739275 1069511415 /nfs/dbraw/zinc/51/14/15/1069511415.db2.gz BRRKQMCBLJGTOX-LEWJYISDSA-N 1 0 468.646 3.571 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001306739281 1069511516 /nfs/dbraw/zinc/51/15/16/1069511516.db2.gz BRRKQMCBLJGTOX-SFTDATJTSA-N 1 0 468.646 3.571 20 0 JHADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC001311711811 1069513880 /nfs/dbraw/zinc/51/38/80/1069513880.db2.gz FQYDSOGEQVPZKN-VEXUSMLFSA-N 1 0 457.018 3.536 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001306740933 1069515201 /nfs/dbraw/zinc/51/52/01/1069515201.db2.gz XDYCVNFQFKVZPD-GGAORHGYSA-N 1 0 469.678 3.537 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(CCO)(CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC001311719379 1069517770 /nfs/dbraw/zinc/51/77/70/1069517770.db2.gz TVEHTJJJIUYHJF-HXUWFJFHSA-N 1 0 459.553 3.645 20 0 JHADRO C[C@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC001311723655 1069521746 /nfs/dbraw/zinc/52/17/46/1069521746.db2.gz UZDBTWGHDHGXSR-IBGZPJMESA-N 1 0 450.583 3.847 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001306744639 1069525549 /nfs/dbraw/zinc/52/55/49/1069525549.db2.gz LVVPTGKOSOUKTA-QHCPKHFHSA-N 1 0 469.678 3.916 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001306747202 1069533865 /nfs/dbraw/zinc/53/38/65/1069533865.db2.gz VINCLKOLEBLASJ-LADGPHEKSA-N 1 0 466.674 3.794 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001306746457 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NMGJEVGXSJOMCL-GOSISDBHSA-N 1 0 480.451 3.919 20 0 JHADRO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001306768333 1069568530 /nfs/dbraw/zinc/56/85/30/1069568530.db2.gz LEEPZXSZZPFPLN-LJQANCHMSA-N 1 0 475.707 3.905 20 0 JHADRO COC(=O)N1CCC[C@H](NC(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001311832733 1069569812 /nfs/dbraw/zinc/56/98/12/1069569812.db2.gz QSEWQLBLJUENIV-JCYRPKCISA-N 1 0 450.583 3.575 20 0 JHADRO CCCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H](C)c1nccs1 ZINC001306772855 1069570928 /nfs/dbraw/zinc/57/09/28/1069570928.db2.gz MSHZWTBPCIIJCE-FQEVSTJZSA-N 1 0 453.660 3.749 20 0 JHADRO C[C@H](CCNC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[NH+]1CCCCC1 ZINC001311840703 1069574141 /nfs/dbraw/zinc/57/41/41/1069574141.db2.gz YVSPHQQWIMKGKC-WIYYLYMNSA-N 1 0 456.553 3.642 20 0 JHADRO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306777278 1069573380 /nfs/dbraw/zinc/57/33/80/1069573380.db2.gz 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DXEVTUVEJUTAGM-JOCHJYFZSA-N 1 0 452.647 3.906 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001306784617 1069584842 /nfs/dbraw/zinc/58/48/42/1069584842.db2.gz QNOFSEGLEXKBPX-ROKPMTFOSA-N 1 0 495.590 3.790 20 0 JHADRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001311860111 1069585563 /nfs/dbraw/zinc/58/55/63/1069585563.db2.gz BTDUYPUXNIOXPG-CYFREDJKSA-N 1 0 451.590 3.536 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C/C=C/c2ccccc2)C1 ZINC001306785967 1069588577 /nfs/dbraw/zinc/58/85/77/1069588577.db2.gz YTYQUOHOCZTBDC-RUCTVCJSSA-N 1 0 459.598 3.807 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001306785005 1069586205 /nfs/dbraw/zinc/58/62/05/1069586205.db2.gz ONNYYYSUYCCUKA-MSOLQXFVSA-N 1 0 498.068 3.731 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001306785201 1069586491 /nfs/dbraw/zinc/58/64/91/1069586491.db2.gz VIJWRKTYBODVOM-RTBURBONSA-N 1 0 450.672 3.999 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3F)n2Cc2csc(COC)n2)C1 ZINC001306785768 1069587440 /nfs/dbraw/zinc/58/74/40/1069587440.db2.gz SIIRVBOSEALTSU-QGZVFWFLSA-N 1 0 458.607 3.904 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C(=O)NCC)cc2)C1 ZINC001306785484 1069587458 /nfs/dbraw/zinc/58/74/58/1069587458.db2.gz UYGGUBQSZVCTFW-OAQYLSRUSA-N 1 0 452.647 3.902 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cc(F)cc(F)c2)C1 ZINC001306785892 1069587748 /nfs/dbraw/zinc/58/77/48/1069587748.db2.gz XYEWJLPQGNRDHL-LJQANCHMSA-N 1 0 483.567 3.614 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001306785836 1069588132 /nfs/dbraw/zinc/58/81/32/1069588132.db2.gz QVXOVMIDJODWHR-DNQXCXABSA-N 1 0 466.674 3.934 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(N(C)C)nc2)C1 ZINC001306786438 1069589166 /nfs/dbraw/zinc/58/91/66/1069589166.db2.gz VPDIXOIBUICIGG-NRFANRHFSA-N 1 0 463.630 3.631 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccnc(SC)c2)C1 ZINC001306786678 1069589821 /nfs/dbraw/zinc/58/98/21/1069589821.db2.gz YKYGTWXHMWHNDZ-FQEVSTJZSA-N 1 0 451.644 3.982 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCC[C@H]2C)C1 ZINC001306787290 1069591303 /nfs/dbraw/zinc/59/13/03/1069591303.db2.gz ANEDRVFDQMUWLG-YZIHRLCOSA-N 1 0 455.647 3.597 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCCCCC2)C1 ZINC001306787422 1069591650 /nfs/dbraw/zinc/59/16/50/1069591650.db2.gz CUSPKACKHCXRNV-QHCPKHFHSA-N 1 0 484.664 3.969 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)c(C)c2)C1 ZINC001306788043 1069593126 /nfs/dbraw/zinc/59/31/26/1069593126.db2.gz GKGYIXLMNMTYIJ-FUDKSRODSA-N 1 0 459.610 3.666 20 0 JHADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC001311879528 1069593372 /nfs/dbraw/zinc/59/33/72/1069593372.db2.gz AZWHHRWAQDVFRH-BJKOFHAPSA-N 1 0 456.631 3.738 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001311880370 1069594066 /nfs/dbraw/zinc/59/40/66/1069594066.db2.gz KDYUZBBXXFRGPL-BKMJKUGQSA-N 1 0 458.647 3.887 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(CCNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC001311882105 1069595103 /nfs/dbraw/zinc/59/51/03/1069595103.db2.gz YSYUYZYXNPRQOK-HSZRJFAPSA-N 1 0 458.647 3.887 20 0 JHADRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4ccc(Br)cc4)C3)C2)cc1 ZINC001311883805 1069595616 /nfs/dbraw/zinc/59/56/16/1069595616.db2.gz GDIWZUJUCMYQGX-NHCUHLMSSA-N 1 0 457.416 3.910 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001306790029 1069595993 /nfs/dbraw/zinc/59/59/93/1069595993.db2.gz UNHDBXSSHRPNFJ-VQTJNVASSA-N 1 0 484.636 3.983 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2sc(C)nc2C)C1 ZINC001306790208 1069596200 /nfs/dbraw/zinc/59/62/00/1069596200.db2.gz VXAXLHMXIIKDHV-GOSISDBHSA-N 1 0 487.699 3.559 20 0 JHADRO CCCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001306797408 1069602719 /nfs/dbraw/zinc/60/27/19/1069602719.db2.gz UWCSMIPRWSFYBR-JOCHJYFZSA-N 1 0 454.667 3.953 20 0 JHADRO CCO[C@]1(c2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@H](c2ccccc2)[NH+](C)C)CCOC1 ZINC001314146094 1069599398 /nfs/dbraw/zinc/59/93/98/1069599398.db2.gz VFNFBTHXCWEMDI-ISQLDUATSA-N 1 0 459.660 3.563 20 0 JHADRO CCCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001306793556 1069599710 /nfs/dbraw/zinc/59/97/10/1069599710.db2.gz IGHTWNHXHCRWOB-VWLOTQADSA-N 1 0 483.686 3.910 20 0 JHADRO CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001306797879 1069603575 /nfs/dbraw/zinc/60/35/75/1069603575.db2.gz HNTLDKLRUVZSRG-UHFFFAOYSA-N 1 0 488.080 3.980 20 0 JHADRO CCC[N@H+](CC)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC001306798357 1069604128 /nfs/dbraw/zinc/60/41/28/1069604128.db2.gz VDDOKEYQOFCZAH-SFHVURJKSA-N 1 0 465.577 3.920 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001306798383 1069604407 /nfs/dbraw/zinc/60/44/07/1069604407.db2.gz VWEMKLQLULWJGZ-RNHFSVANSA-N 1 0 475.609 3.673 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccncc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001306802273 1069608689 /nfs/dbraw/zinc/60/86/89/1069608689.db2.gz IUVPAUZQXGVOFA-UHFFFAOYSA-N 1 0 485.677 3.879 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(NC(C)=O)CC1 ZINC001306802442 1069608770 /nfs/dbraw/zinc/60/87/70/1069608770.db2.gz LCQIEQQSBOBYHS-UHFFFAOYSA-N 1 0 495.441 3.684 20 0 JHADRO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001311902900 1069606046 /nfs/dbraw/zinc/60/60/46/1069606046.db2.gz RTSYQEBCBHKHQS-JOCHJYFZSA-N 1 0 450.631 3.952 20 0 JHADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC001311903297 1069606724 /nfs/dbraw/zinc/60/67/24/1069606724.db2.gz VXKGJEPHZKMOQV-QFIPXVFZSA-N 1 0 457.022 3.969 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC2(CC2)C1 ZINC001306801897 1069606913 /nfs/dbraw/zinc/60/69/13/1069606913.db2.gz BIIRUJIALQVGBW-HXUWFJFHSA-N 1 0 476.666 3.699 20 0 JHADRO Cc1ccc2c(c1)nc(CNC(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)n2C ZINC001311904414 1069607096 /nfs/dbraw/zinc/60/70/96/1069607096.db2.gz MXJBNOIHOFFLEL-UHFFFAOYSA-N 1 0 455.006 3.547 20 0 JHADRO CCc1cc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCCC[N@H+](Cc4ccccc4)C3)C2)ncn1 ZINC001311903754 1069607261 /nfs/dbraw/zinc/60/72/61/1069607261.db2.gz SBBHAOKRRAQSEA-DNQXCXABSA-N 1 0 450.631 3.752 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001306802676 1069609373 /nfs/dbraw/zinc/60/93/73/1069609373.db2.gz OUELXNSSQQLHMG-RLSLOFABSA-N 1 0 459.610 3.513 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1 ZINC001306802966 1069610025 /nfs/dbraw/zinc/61/00/25/1069610025.db2.gz SRTAHMFMIGONAM-FQEVSTJZSA-N 1 0 476.622 3.548 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)=C(C)C1 ZINC001306803048 1069610838 /nfs/dbraw/zinc/61/08/38/1069610838.db2.gz VTWHIXCKVYCRNE-OAQYLSRUSA-N 1 0 476.666 3.865 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC001306805204 1069615622 /nfs/dbraw/zinc/61/56/22/1069615622.db2.gz SQLVDKYQSPEVLD-XMSQKQJNSA-N 1 0 455.582 3.516 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001306805735 1069617364 /nfs/dbraw/zinc/61/73/64/1069617364.db2.gz XHBIPEYAYWWSLY-KDURUIRLSA-N 1 0 483.686 3.737 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001306806122 1069617838 /nfs/dbraw/zinc/61/78/38/1069617838.db2.gz QTYMIZBLLISXKJ-UHFFFAOYSA-N 1 0 476.069 3.961 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001306806450 1069618691 /nfs/dbraw/zinc/61/86/91/1069618691.db2.gz VSNISAKPMXZRRK-UHFFFAOYSA-N 1 0 477.657 3.723 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001306806937 1069620287 /nfs/dbraw/zinc/62/02/87/1069620287.db2.gz OYVCQPHWGMOTIA-ISKFKSNPSA-N 1 0 465.646 3.838 20 0 JHADRO CCO[C@@]1(c2nnc(N3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)n2CC[N@H+](CC)C(C)C)CCOC1 ZINC001314153303 1069620666 /nfs/dbraw/zinc/62/06/66/1069620666.db2.gz SRDUOMWXGHZTTM-WIOYSNFSSA-N 1 0 489.636 3.766 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306807199 1069621695 /nfs/dbraw/zinc/62/16/95/1069621695.db2.gz PTPUKVLQRBULSM-UHFFFAOYSA-N 1 0 477.657 3.920 20 0 JHADRO CCC[N@H+](CC)CCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001306807480 1069622138 /nfs/dbraw/zinc/62/21/38/1069622138.db2.gz XNDHPBYBWKHICY-XMMPIXPASA-N 1 0 459.660 3.606 20 0 JHADRO CCC[N@H+](CC)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001306807684 1069622258 /nfs/dbraw/zinc/62/22/58/1069622258.db2.gz ZTOAETUYILWIJI-SFHVURJKSA-N 1 0 495.455 3.707 20 0 JHADRO CCCN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCOC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001306814702 1069635628 /nfs/dbraw/zinc/63/56/28/1069635628.db2.gz SCCGNCAHCNCSEK-HXUWFJFHSA-N 1 0 476.616 3.503 20 0 JHADRO C[NH+](C)CCn1cc(NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)ccc1=O ZINC001306817736 1069639729 /nfs/dbraw/zinc/63/97/29/1069639729.db2.gz AXYNWFOXFANWPK-SFHVURJKSA-N 1 0 454.571 3.668 20 0 JHADRO Cc1cc(NC(=O)CCC(=O)Nc2nnc(C(C)C)s2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001306825706 1069645836 /nfs/dbraw/zinc/64/58/36/1069645836.db2.gz HMEDISYUSQXAHJ-UHFFFAOYSA-N 1 0 458.632 3.858 20 0 JHADRO CCOc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)n1 ZINC001314160381 1069643588 /nfs/dbraw/zinc/64/35/88/1069643588.db2.gz UOLXJNHOAOOYNF-SFTDATJTSA-N 1 0 498.720 3.982 20 0 JHADRO CN(CC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)c1ccc(Br)s1 ZINC001306830183 1069647782 /nfs/dbraw/zinc/64/77/82/1069647782.db2.gz ACHHCMFPMYESQR-UHFFFAOYSA-N 1 0 456.450 3.745 20 0 JHADRO 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CCOc1ccc(-c2nnc(N(C)Cc3nccs3)n2CC[N@@H+]2CCC[C@H]2C)cc1OC ZINC001314168854 1069674321 /nfs/dbraw/zinc/67/43/21/1069674321.db2.gz QGMCILAVYRHUCL-QGZVFWFLSA-N 1 0 456.616 3.930 20 0 JHADRO CCC1(CC)[C@@H](NC(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C[C@@H]1OC ZINC001312023924 1069676974 /nfs/dbraw/zinc/67/69/74/1069676974.db2.gz DVMMUHOIHBYRJF-PMACEKPBSA-N 1 0 456.553 3.850 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(C)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001314170214 1069679730 /nfs/dbraw/zinc/67/97/30/1069679730.db2.gz LJFRGVRJLOJPCP-UHFFFAOYSA-N 1 0 470.662 3.615 20 0 JHADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H]1c1ccccc1 ZINC001306898329 1069678353 /nfs/dbraw/zinc/67/83/53/1069678353.db2.gz ZOAPTTCRWHMVHY-VJANTYMQSA-N 1 0 455.521 3.984 20 0 JHADRO Cc1csc([C@@H](C)CNC(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)n1 ZINC001312025709 1069678867 /nfs/dbraw/zinc/67/88/67/1069678867.db2.gz MAVFVROIDMNYJF-AWEZNQCLSA-N 1 0 455.550 3.825 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC=C(C)CC3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)cc1OC ZINC001314171161 1069684720 /nfs/dbraw/zinc/68/47/20/1069684720.db2.gz YZZJASOKTSJNBO-JOCHJYFZSA-N 1 0 482.673 3.782 20 0 JHADRO CC[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)Cc1cccc(Br)c1 ZINC001312033145 1069685532 /nfs/dbraw/zinc/68/55/32/1069685532.db2.gz KNGZZARKNFZYAH-DYESRHJHSA-N 1 0 452.437 3.960 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC001314171681 1069686643 /nfs/dbraw/zinc/68/66/43/1069686643.db2.gz ITWOYNIJIXBFHU-UQBPGWFLSA-N 1 0 457.619 3.842 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](OC)C2CC2)cc1OC ZINC001314171755 1069686738 /nfs/dbraw/zinc/68/67/38/1069686738.db2.gz AXHXHDRVMRFXHU-HSZRJFAPSA-N 1 0 457.619 3.698 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@H](C)C3)n2CCC[NH+]2CCN(CC)CC2)cc1OC ZINC001314173024 1069692407 /nfs/dbraw/zinc/69/24/07/1069692407.db2.gz QFUMRWGVJFMDJO-NRFANRHFSA-N 1 0 470.662 3.616 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CC(F)(F)F)cc1OC ZINC001314174754 1069699371 /nfs/dbraw/zinc/69/93/71/1069699371.db2.gz AKVNHYBYLOYJQK-IBGZPJMESA-N 1 0 496.578 3.519 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001307004667 1069699781 /nfs/dbraw/zinc/69/97/81/1069699781.db2.gz HWBHUYSQDLQYKY-BPYKYCOYSA-N 1 0 456.635 3.625 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001307005629 1069701518 /nfs/dbraw/zinc/70/15/18/1069701518.db2.gz YCGHJAGZXDGZAL-FQEVSTJZSA-N 1 0 479.044 3.771 20 0 JHADRO COC(=O)Nc1ccc(CCNC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC001312066173 1069701930 /nfs/dbraw/zinc/70/19/30/1069701930.db2.gz PPQDVYMVEDHPOT-LJQANCHMSA-N 1 0 454.571 3.607 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2nnc(C)s2)cc1OC ZINC001314175943 1069704479 /nfs/dbraw/zinc/70/44/79/1069704479.db2.gz GSFASPRDUHXCLT-UHFFFAOYSA-N 1 0 471.631 3.527 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC001314176757 1069708086 /nfs/dbraw/zinc/70/80/86/1069708086.db2.gz MKNZJRVRTZRLSV-QGZVFWFLSA-N 1 0 497.562 3.588 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@H]3CC)n2C[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC001314176649 1069708093 /nfs/dbraw/zinc/70/80/93/1069708093.db2.gz QQBZQJRWYZVRHC-TZIWHRDSSA-N 1 0 457.619 3.700 20 0 JHADRO COC(=O)C1CC2(C1)C[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CCS2 ZINC001312076357 1069709018 /nfs/dbraw/zinc/70/90/18/1069709018.db2.gz KJASPQDRXONDKT-IGCLLACQSA-N 1 0 451.658 3.648 20 0 JHADRO O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001312079820 1069710349 /nfs/dbraw/zinc/71/03/49/1069710349.db2.gz QLDQADZMRNDIKU-LJQANCHMSA-N 1 0 454.537 3.762 20 0 JHADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001312080967 1069710938 /nfs/dbraw/zinc/71/09/38/1069710938.db2.gz HVMLITNHKOXVMO-HXUWFJFHSA-N 1 0 450.421 3.813 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC001314178949 1069717427 /nfs/dbraw/zinc/71/74/27/1069717427.db2.gz YFOXPKMWVNEFHC-SFHVURJKSA-N 1 0 479.572 3.699 20 0 JHADRO CC(C)(CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)Sc1ccc(Br)cc1 ZINC001312095865 1069718444 /nfs/dbraw/zinc/71/84/44/1069718444.db2.gz VJXSMPOYTYPNIU-QGZVFWFLSA-N 1 0 456.450 3.872 20 0 JHADRO CC[NH+]1CCC(CCNC(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)CC1 ZINC001312107760 1069724319 /nfs/dbraw/zinc/72/43/19/1069724319.db2.gz PZEXAFYORQBWQN-FQEVSTJZSA-N 1 0 450.546 3.740 20 0 JHADRO CCOc1ccc(-c2nnc(Nc3cnn(C)c3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC001314181176 1069724388 /nfs/dbraw/zinc/72/43/88/1069724388.db2.gz WSKQNLXJLHIZSJ-UHFFFAOYSA-N 1 0 453.591 3.952 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001314182162 1069727695 /nfs/dbraw/zinc/72/76/95/1069727695.db2.gz FUAYARLBCAEOFE-SFTDATJTSA-N 1 0 468.646 3.670 20 0 JHADRO 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CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2cn[nH]c2)CC1 ZINC001307049051 1069795976 /nfs/dbraw/zinc/79/59/76/1069795976.db2.gz HSOPMKQPTVRSPB-GOSISDBHSA-N 1 0 455.582 3.834 20 0 JHADRO CCOc1ccc2c(c1)CN(c1nnc(C(=O)NC(CC)CC)n1CC[N@@H+]1CCC[C@H](C)C1)CC2 ZINC001314201486 1069796594 /nfs/dbraw/zinc/79/65/94/1069796594.db2.gz RUCFQBNGELWVMS-FQEVSTJZSA-N 1 0 482.673 3.890 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(CO)CC3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001314202216 1069797173 /nfs/dbraw/zinc/79/71/73/1069797173.db2.gz XUEDCYIPKQUWFH-IBGZPJMESA-N 1 0 457.619 3.510 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@H](c4nc(C)no4)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001314201790 1069797751 /nfs/dbraw/zinc/79/77/51/1069797751.db2.gz OUYCTKUXGGEPJQ-NLWGTHIKSA-N 1 0 483.617 3.842 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccn3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC001307049697 1069798206 /nfs/dbraw/zinc/79/82/06/1069798206.db2.gz MUIDHJYWOABGLC-MGBGTMOVSA-N 1 0 466.655 3.578 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCOC2)CC1 ZINC001307050895 1069801543 /nfs/dbraw/zinc/80/15/43/1069801543.db2.gz HEIKOUWAJZKQSX-HSZRJFAPSA-N 1 0 498.455 3.626 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@H](OC)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001314202823 1069804602 /nfs/dbraw/zinc/80/46/02/1069804602.db2.gz VHQQDKNBVXJLIG-ZRCGQRJVSA-N 1 0 457.619 3.774 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OCC)CCOC3)n2CCc2c(F)cccc2F)CC1 ZINC001307051058 1069802080 /nfs/dbraw/zinc/80/20/80/1069802080.db2.gz VRRNFQFOEQZGRJ-RUZDIDTESA-N 1 0 477.600 3.762 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)C(=O)NCC)CC1 ZINC001307051231 1069803850 /nfs/dbraw/zinc/80/38/50/1069803850.db2.gz YTAYCZUNWSDTGF-UHFFFAOYSA-N 1 0 492.672 3.808 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001307051744 1069805516 /nfs/dbraw/zinc/80/55/16/1069805516.db2.gz LTPYCILOERFTMH-UHFFFAOYSA-N 1 0 486.686 3.950 20 0 JHADRO CC[N@H+](CCO)CCNC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC001312246547 1069806076 /nfs/dbraw/zinc/80/60/76/1069806076.db2.gz IFDVUWPJYLTIME-CQSZACIVSA-N 1 0 455.422 3.555 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001307052483 1069808317 /nfs/dbraw/zinc/80/83/17/1069808317.db2.gz BGTATJKFSNFMJZ-FPOVZHCZSA-N 1 0 486.665 3.536 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@H]3[C@@H]3CCCO3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001314204005 1069810253 /nfs/dbraw/zinc/81/02/53/1069810253.db2.gz XSJNFRKXDNFGGQ-CSGUBPAMSA-N 1 0 457.619 3.915 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CC3CCCC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001307053427 1069811819 /nfs/dbraw/zinc/81/18/19/1069811819.db2.gz NIEQLHHNMHZHBX-UHFFFAOYSA-N 1 0 473.687 3.773 20 0 JHADRO C[C@H]1C[C@@H](NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312254869 1069812272 /nfs/dbraw/zinc/81/22/72/1069812272.db2.gz UTNLSUMSCZDROV-LAUBAEHRSA-N 1 0 455.990 3.758 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001307054259 1069814796 /nfs/dbraw/zinc/81/47/96/1069814796.db2.gz WCOPWACLBDQOEQ-RTBURBONSA-N 1 0 488.702 3.784 20 0 JHADRO CCOc1cccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC001314206431 1069818488 /nfs/dbraw/zinc/81/84/88/1069818488.db2.gz JSOMHWRNWQXSJG-WOOVXOMTSA-N 1 0 471.646 3.562 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCO[C@@H](C)C1 ZINC001307054786 1069816212 /nfs/dbraw/zinc/81/62/12/1069816212.db2.gz MKSAXIQLHVFTSK-FUHWJXTLSA-N 1 0 465.440 3.915 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2Cc2c(CC)nn(C)c2CC)CC1 ZINC001307054582 1069817483 /nfs/dbraw/zinc/81/74/83/1069817483.db2.gz ZYOVRRJZYJPHKT-UHFFFAOYSA-N 1 0 484.718 3.851 20 0 JHADRO C[NH+](C)CC1(CNC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CCCC1 ZINC001312266564 1069823731 /nfs/dbraw/zinc/82/37/31/1069823731.db2.gz SROKMMJRUPANKE-UHFFFAOYSA-N 1 0 451.453 3.835 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(CC(C)C)n3CCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)n1 ZINC001314208213 1069822963 /nfs/dbraw/zinc/82/29/63/1069822963.db2.gz JTQOTZIFZXBLNO-GOTSBHOMSA-N 1 0 483.705 3.965 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001307055540 1069823322 /nfs/dbraw/zinc/82/33/22/1069823322.db2.gz PSTQBMSHPRODOQ-FPOVZHCZSA-N 1 0 459.038 3.825 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C1 ZINC001307056005 1069824115 /nfs/dbraw/zinc/82/41/15/1069824115.db2.gz SGOJXZPLCGERAJ-GHTZIAJQSA-N 1 0 459.038 3.972 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001307056022 1069824856 /nfs/dbraw/zinc/82/48/56/1069824856.db2.gz SIIIVJFWYYIGTL-ZEQRLZLVSA-N 1 0 481.689 3.936 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CCCC(=O)NC ZINC001307056372 1069825992 /nfs/dbraw/zinc/82/59/92/1069825992.db2.gz SISFUPYWWKIECI-GOSISDBHSA-N 1 0 491.478 3.935 20 0 JHADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC001312270331 1069826526 /nfs/dbraw/zinc/82/65/26/1069826526.db2.gz PJRRCMBYXNEANM-SFHVURJKSA-N 1 0 451.409 3.684 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001307057355 1069833216 /nfs/dbraw/zinc/83/32/16/1069833216.db2.gz JALBCYVYMJRCLW-NRFANRHFSA-N 1 0 457.642 3.992 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2Cc2cc(OC)ccc2OC)CC1 ZINC001307056960 1069831095 /nfs/dbraw/zinc/83/10/95/1069831095.db2.gz UFZXUSRDCPECMQ-LJQANCHMSA-N 1 0 457.619 3.548 20 0 JHADRO COc1ccccc1N1CC[C@@H](NC(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1=O ZINC001312280202 1069833780 /nfs/dbraw/zinc/83/37/80/1069833780.db2.gz QKTKYUVTLNVPFU-FYYLOGMGSA-N 1 0 452.599 3.601 20 0 JHADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001312289918 1069840815 /nfs/dbraw/zinc/84/08/15/1069840815.db2.gz XPGMUWUXGSZXDN-HLAWJBBLSA-N 1 0 452.437 3.837 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001307059223 1069843332 /nfs/dbraw/zinc/84/33/32/1069843332.db2.gz UQLTWXYYWPRCCM-RTBURBONSA-N 1 0 498.068 3.874 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC001307059727 1069845308 /nfs/dbraw/zinc/84/53/08/1069845308.db2.gz ZKCHFHLPGSZNQR-FGZHOGPDSA-N 1 0 457.667 3.542 20 0 JHADRO CCCN1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)C[NH+](C)C)CC1=O ZINC001307060044 1069847153 /nfs/dbraw/zinc/84/71/53/1069847153.db2.gz AUTHIIDHQSERHH-IBGZPJMESA-N 1 0 474.625 3.594 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001307060578 1069849954 /nfs/dbraw/zinc/84/99/54/1069849954.db2.gz AOVCRSKACJAERA-LEWJYISDSA-N 1 0 469.634 3.708 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001307061696 1069854754 /nfs/dbraw/zinc/85/47/54/1069854754.db2.gz HMQFTPKQTPZTQC-FYYLOGMGSA-N 1 0 468.646 3.917 20 0 JHADRO CCCN1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCC[C@H]2C)CC1=O ZINC001307061913 1069856124 /nfs/dbraw/zinc/85/61/24/1069856124.db2.gz RPDZAIGJSCASIH-GGAORHGYSA-N 1 0 482.673 3.968 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Br)s3)n2CCC[NH+](CC)CC)CC1=O ZINC001307061936 1069856176 /nfs/dbraw/zinc/85/61/76/1069856176.db2.gz OMYZEPYAEFBDGU-UHFFFAOYSA-N 1 0 497.507 3.950 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC001312313580 1069856300 /nfs/dbraw/zinc/85/63/00/1069856300.db2.gz FLTDHHDMCGBJJK-KURKYZTESA-N 1 0 450.986 3.880 20 0 JHADRO CCc1nn(C)c(CC)c1CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC001312324540 1069863435 /nfs/dbraw/zinc/86/34/35/1069863435.db2.gz QBWUXKOJELLYNF-UHFFFAOYSA-N 1 0 450.425 3.581 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC(C(=O)OC)CC1 ZINC001307064550 1069866590 /nfs/dbraw/zinc/86/65/90/1069866590.db2.gz CHWNUCZTSRKTLT-NRFANRHFSA-N 1 0 485.629 3.520 20 0 JHADRO CCOc1ccccc1N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001314220841 1069868813 /nfs/dbraw/zinc/86/88/13/1069868813.db2.gz OYTAFIIKJQHGNA-QFIPXVFZSA-N 1 0 454.663 3.932 20 0 JHADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC001312337135 1069872741 /nfs/dbraw/zinc/87/27/41/1069872741.db2.gz QREONNKFDYPWCT-BTYIYWSLSA-N 1 0 459.953 3.504 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCCOCC1 ZINC001307067991 1069879345 /nfs/dbraw/zinc/87/93/45/1069879345.db2.gz NQUVZSFKSVQYER-NRFANRHFSA-N 1 0 457.619 3.747 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001307070164 1069884726 /nfs/dbraw/zinc/88/47/26/1069884726.db2.gz YHNYTUBXRNMQRQ-PQNGQFLHSA-N 1 0 471.646 3.991 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001314225303 1069889883 /nfs/dbraw/zinc/88/98/83/1069889883.db2.gz GRPZDSDNSUFZRR-FSSWDIPSSA-N 1 0 471.646 3.727 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314224668 1069887130 /nfs/dbraw/zinc/88/71/30/1069887130.db2.gz GCNJOVMPUDBFFS-NZQKXSOJSA-N 1 0 471.646 3.847 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001314225960 1069893988 /nfs/dbraw/zinc/89/39/88/1069893988.db2.gz CSCVNZNVUSOZQD-YADHBBJMSA-N 1 0 471.646 3.727 20 0 JHADRO C[C@H](NC(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312383092 1069899029 /nfs/dbraw/zinc/89/90/29/1069899029.db2.gz MJVRAMYQYGXPCQ-QRFRQXIXSA-N 1 0 451.489 3.828 20 0 JHADRO CCOc1ccccc1OCc1nnc(Nc2cnn(C)c2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314226934 1069900006 /nfs/dbraw/zinc/90/00/06/1069900006.db2.gz VXRBPVXJHITSIF-UHFFFAOYSA-N 1 0 471.631 3.560 20 0 JHADRO CCOc1ccnc(N2CCN(c3nnc(-c4ccccc4Cl)n3C[C@@H](C)[NH+](CC)CC)CC2)n1 ZINC001314227571 1069902608 /nfs/dbraw/zinc/90/26/08/1069902608.db2.gz UGNWDJNAPIBZKL-LJQANCHMSA-N 1 0 499.063 3.844 20 0 JHADRO CCOc1ncccc1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001314231972 1069919734 /nfs/dbraw/zinc/91/97/34/1069919734.db2.gz PMBDXPFKLRRHKC-HXUWFJFHSA-N 1 0 464.614 3.506 20 0 JHADRO CCOc1ncccc1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001314232240 1069921153 /nfs/dbraw/zinc/92/11/53/1069921153.db2.gz WAAQXURNWPEVSB-OALUTQOASA-N 1 0 450.587 3.715 20 0 JHADRO C[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1OC(F)F ZINC001312430250 1069931696 /nfs/dbraw/zinc/93/16/96/1069931696.db2.gz QBRODIGAYYYHGE-NYHFZMIOSA-N 1 0 453.917 3.939 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCCC2)C1(C)C ZINC001314240703 1069942579 /nfs/dbraw/zinc/94/25/79/1069942579.db2.gz UCQWEJMABRQDJR-RJGXRXQPSA-N 1 0 482.673 3.893 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1(C)C ZINC001314242581 1069947471 /nfs/dbraw/zinc/94/74/71/1069947471.db2.gz HRGQLMQILMEBGP-NKKJXINNSA-N 1 0 484.689 3.620 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(CC(C)C)n2Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1(C)C ZINC001314250405 1069976386 /nfs/dbraw/zinc/97/63/86/1069976386.db2.gz BQHWLCABXQMXCK-WXFUMESZSA-N 1 0 469.674 3.731 20 0 JHADRO O=C(NCc1cc(-c2ccc(F)cc2F)on1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001312501405 1069976460 /nfs/dbraw/zinc/97/64/60/1069976460.db2.gz UTJDDWYBIRJENF-HXUWFJFHSA-N 1 0 456.493 3.710 20 0 JHADRO O=C(CN1CCC(C(=O)c2cc(F)ccc2F)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001307415009 1069973481 /nfs/dbraw/zinc/97/34/81/1069973481.db2.gz KPEGPQLZIKRTTG-UHFFFAOYSA-N 1 0 455.549 3.772 20 0 JHADRO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)CC1 ZINC001307415107 1069973520 /nfs/dbraw/zinc/97/35/20/1069973520.db2.gz YUIIPZZOSWMHOB-HXUWFJFHSA-N 1 0 458.430 3.768 20 0 JHADRO Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)n2c1 ZINC001312497257 1069973944 /nfs/dbraw/zinc/97/39/44/1069973944.db2.gz CGEGDCIJBDSTRZ-IBGZPJMESA-N 1 0 453.562 3.749 20 0 JHADRO 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O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001312514820 1069982924 /nfs/dbraw/zinc/98/29/24/1069982924.db2.gz ASTVXIOCHXQRMI-IEBWSBKVSA-N 1 0 452.521 3.907 20 0 JHADRO COc1ccc(CN2CC[C@H]([NH+]3CCC([C@@H]4CCCN4C(=O)OC(C)(C)C)CC3)C2=O)cc1 ZINC001307437925 1069983797 /nfs/dbraw/zinc/98/37/97/1069983797.db2.gz HSJOSMJCUMMCMF-GOTSBHOMSA-N 1 0 457.615 3.908 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1(C)C ZINC001314256334 1069992325 /nfs/dbraw/zinc/99/23/25/1069992325.db2.gz ODWDDGQEKOPFBZ-TUACAJSNSA-N 1 0 486.680 3.674 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC001314257170 1069993812 /nfs/dbraw/zinc/99/38/12/1069993812.db2.gz SWGMAJZXBQVMRG-IRMYBRCSSA-N 1 0 484.689 3.792 20 0 JHADRO CCc1ccc(CN2CCN([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)s1 ZINC001307484291 1070011024 /nfs/dbraw/zinc/01/10/24/1070011024.db2.gz FCPCJKWUJBMUPZ-OAQYLSRUSA-N 1 0 454.684 3.597 20 0 JHADRO C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC001307484405 1070011223 /nfs/dbraw/zinc/01/12/23/1070011223.db2.gz HXWCFFMOWFBFDS-HXUWFJFHSA-N 1 0 454.640 3.745 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCCCC2)C1 ZINC001314264986 1070011550 /nfs/dbraw/zinc/01/15/50/1070011550.db2.gz IMZUFRBRPGZJCB-SFHVURJKSA-N 1 0 465.440 3.917 20 0 JHADRO COc1cccc(C[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C2CCC(O)CC2)c1 ZINC001307487220 1070012965 /nfs/dbraw/zinc/01/29/65/1070012965.db2.gz OOLVTFDESMBBCX-UHFFFAOYSA-N 1 0 459.974 3.582 20 0 JHADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001312558987 1070013434 /nfs/dbraw/zinc/01/34/34/1070013434.db2.gz YIFHTBOKGDZLFN-UKILVPOCSA-N 1 0 450.627 3.995 20 0 JHADRO CS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)C1 ZINC001307503648 1070022200 /nfs/dbraw/zinc/02/22/00/1070022200.db2.gz QKOFDUCKIXTPRZ-VQTJNVASSA-N 1 0 453.674 3.794 20 0 JHADRO O=C(CN1CC[C@H](C[NH+]2CCOCC2)C1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001307501188 1070020276 /nfs/dbraw/zinc/02/02/76/1070020276.db2.gz JUYYEROJYUPOBW-CQSZACIVSA-N 1 0 455.411 3.710 20 0 JHADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@H]2CC(c3ccc(OC)c(F)c3)=NO2)CC1 ZINC001312570089 1070020500 /nfs/dbraw/zinc/02/05/00/1070020500.db2.gz GWXNJLNGPAPEEE-REWPJTCUSA-N 1 0 454.546 3.806 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001314268372 1070020581 /nfs/dbraw/zinc/02/05/81/1070020581.db2.gz NDHLWXBDPVWVHH-PKTZIBPZSA-N 1 0 455.647 3.872 20 0 JHADRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)C1 ZINC001307503488 1070020828 /nfs/dbraw/zinc/02/08/28/1070020828.db2.gz HTVFQQZNWQZHGV-NLFFAJNJSA-N 1 0 451.586 3.949 20 0 JHADRO CS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)C1 ZINC001307503645 1070020873 /nfs/dbraw/zinc/02/08/73/1070020873.db2.gz QKOFDUCKIXTPRZ-PMACEKPBSA-N 1 0 453.674 3.794 20 0 JHADRO CCOC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[C@H]1C(F)(F)F ZINC001312573422 1070022640 /nfs/dbraw/zinc/02/26/40/1070022640.db2.gz IQYBWLWPXZDNJC-GUDVDZBRSA-N 1 0 455.521 3.670 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[NH+]2CCCC2)C1 ZINC001314270583 1070024741 /nfs/dbraw/zinc/02/47/41/1070024741.db2.gz JIKJEUDBCYBMDC-SFHVURJKSA-N 1 0 478.435 3.817 20 0 JHADRO CSc1ccc([C@@H](CNC(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)[NH+](C)C)cc1 ZINC001312585097 1070029547 /nfs/dbraw/zinc/02/95/47/1070029547.db2.gz DNIFSZNDXHCMSM-DHIUTWEWSA-N 1 0 450.608 3.914 20 0 JHADRO CCN(C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)C1)CC(F)(F)F ZINC001307518242 1070031078 /nfs/dbraw/zinc/03/10/78/1070031078.db2.gz BKBKKVXWSCXRMA-XLIONFOSSA-N 1 0 457.537 3.573 20 0 JHADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](Cc1ccccc1Br)CC(C)C ZINC001307524314 1070032574 /nfs/dbraw/zinc/03/25/74/1070032574.db2.gz JUXUATZGDGXTGN-ODLFYWEKSA-N 1 0 455.418 3.887 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314276059 1070034027 /nfs/dbraw/zinc/03/40/27/1070034027.db2.gz QIZGFULJHUONQE-SXWKCWPCSA-N 1 0 457.667 3.513 20 0 JHADRO O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001312593432 1070034196 /nfs/dbraw/zinc/03/41/96/1070034196.db2.gz PDRCPZAUGQGZGM-SFHVURJKSA-N 1 0 453.427 3.629 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001314277438 1070037132 /nfs/dbraw/zinc/03/71/32/1070037132.db2.gz TZPYZGPOIMUVOO-BHDDXSALSA-N 1 0 490.693 3.882 20 0 JHADRO NC(=O)c1ccccc1NC(=O)C[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001307545052 1070044888 /nfs/dbraw/zinc/04/48/88/1070044888.db2.gz UZSLJLDZKVZZMX-UHFFFAOYSA-N 1 0 459.546 3.599 20 0 JHADRO CCOCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001314280782 1070045305 /nfs/dbraw/zinc/04/53/05/1070045305.db2.gz YOIABCAHXZAXFA-HXUWFJFHSA-N 1 0 471.646 3.706 20 0 JHADRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC001307551132 1070048181 /nfs/dbraw/zinc/04/81/81/1070048181.db2.gz DRCYJTDWOFCUBH-JPYJTQIMSA-N 1 0 454.633 3.922 20 0 JHADRO COc1ccc(NC(=O)C2([NH2+]CCC(=O)N3CCc4ccccc4C3)CCCC2)cc1OC ZINC001307551257 1070048220 /nfs/dbraw/zinc/04/82/20/1070048220.db2.gz YULKKRUPAFGXRF-UHFFFAOYSA-N 1 0 451.567 3.520 20 0 JHADRO CCO[C@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314282291 1070049755 /nfs/dbraw/zinc/04/97/55/1070049755.db2.gz UKYMTYJJLCEAMQ-ZCNNSNEGSA-N 1 0 478.682 3.642 20 0 JHADRO O=C(N1CCc2ccc([C@H](O)C[NH2+][C@H](c3ccccc3)c3ccccn3)cc2C1)C(F)(F)F ZINC001307564410 1070054113 /nfs/dbraw/zinc/05/41/13/1070054113.db2.gz YTNHFVOZHYNPCI-DHIUTWEWSA-N 1 0 455.480 3.941 20 0 JHADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)cc2)CC1 ZINC001312638953 1070057368 /nfs/dbraw/zinc/05/73/68/1070057368.db2.gz BRHUJTFFUPXCPJ-ISKFKSNPSA-N 1 0 452.574 3.659 20 0 JHADRO CC[C@H](NC(=O)C[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1)c1ccc(Cl)cc1 ZINC001307572402 1070059074 /nfs/dbraw/zinc/05/90/74/1070059074.db2.gz WWNDUMSWAGWYAB-QFIPXVFZSA-N 1 0 453.970 3.916 20 0 JHADRO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)c1ccccc1 ZINC001307572433 1070059328 /nfs/dbraw/zinc/05/93/28/1070059328.db2.gz XMBYQMQXQVKKEO-NUJGCVRESA-N 1 0 459.388 3.761 20 0 JHADRO CCOCC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC=C(C)C1 ZINC001314287553 1070063765 /nfs/dbraw/zinc/06/37/65/1070063765.db2.gz JBRSPVFMOOVQQO-UHFFFAOYSA-N 1 0 466.674 3.862 20 0 JHADRO CCOCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001314288300 1070065402 /nfs/dbraw/zinc/06/54/02/1070065402.db2.gz XMMSHKAEVMKJKG-IBGZPJMESA-N 1 0 459.610 3.836 20 0 JHADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC(OCc3ccccc3F)CC2)CC1 ZINC001307587257 1070066166 /nfs/dbraw/zinc/06/61/66/1070066166.db2.gz WIEPDGYFNWCFIW-UHFFFAOYSA-N 1 0 453.602 3.850 20 0 JHADRO Cc1cc(C[N@H+](CC(C)C)C[C@@H](O)c2cc(Br)no2)nc(N2CCCCC2)n1 ZINC001307589396 1070068648 /nfs/dbraw/zinc/06/86/48/1070068648.db2.gz AWHZZOTUARLWBG-QGZVFWFLSA-N 1 0 452.397 3.717 20 0 JHADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1)[NH+](C)C ZINC001312657977 1070067109 /nfs/dbraw/zinc/06/71/09/1070067109.db2.gz CAFQFUPDRFVJTQ-ROKPMTFOSA-N 1 0 451.615 3.913 20 0 JHADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001307595332 1070071793 /nfs/dbraw/zinc/07/17/93/1070071793.db2.gz AYMBLXQDLHUOQW-FKBYEOEOSA-N 1 0 457.619 3.535 20 0 JHADRO C[C@@H]1CCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001312669609 1070072186 /nfs/dbraw/zinc/07/21/86/1070072186.db2.gz AVTBHEHESMIAEN-JOCHJYFZSA-N 1 0 450.627 3.966 20 0 JHADRO C[N@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001307597099 1070072435 /nfs/dbraw/zinc/07/24/35/1070072435.db2.gz KQXGEEDYSIPKPN-XYPWUTKMSA-N 1 0 453.486 3.809 20 0 JHADRO CCOCc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314296256 1070079523 /nfs/dbraw/zinc/07/95/23/1070079523.db2.gz BCJYZIMQXZXYHU-WHUARKNTSA-N 1 0 461.676 3.871 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)CN[C@@H](c3ccc(OC)cc3)C(F)(F)F)cc2)CC1 ZINC001307602402 1070076633 /nfs/dbraw/zinc/07/66/33/1070076633.db2.gz SKFQMVCFGPPMRY-QFIPXVFZSA-N 1 0 450.505 3.669 20 0 JHADRO CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001307602015 1070076747 /nfs/dbraw/zinc/07/67/47/1070076747.db2.gz HEUQZZAUAQCHIU-WWNPGLIZSA-N 1 0 459.631 3.758 20 0 JHADRO CCOCc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001314298029 1070081139 /nfs/dbraw/zinc/08/11/39/1070081139.db2.gz YHAPKYOFWQCXRS-IZCSPVGOSA-N 1 0 490.693 3.913 20 0 JHADRO CC(C)Sc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC001307612419 1070081795 /nfs/dbraw/zinc/08/17/95/1070081795.db2.gz XEZBXYDXGKBGTJ-IBGZPJMESA-N 1 0 455.624 3.627 20 0 JHADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1Br ZINC001307622121 1070084591 /nfs/dbraw/zinc/08/45/91/1070084591.db2.gz XBTANEAHZWOVIP-LLVKDONJSA-N 1 0 454.752 3.889 20 0 JHADRO CCOCc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314298627 1070082394 /nfs/dbraw/zinc/08/23/94/1070082394.db2.gz QEEHVTCWCJSONR-GCNKWRCBSA-N 1 0 461.676 3.870 20 0 JHADRO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001307622494 1070085134 /nfs/dbraw/zinc/08/51/34/1070085134.db2.gz DPCSBQKRXXGPOR-IBGZPJMESA-N 1 0 455.908 3.693 20 0 JHADRO CCN(Cc1ccccc1C)C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001312697408 1070085767 /nfs/dbraw/zinc/08/57/67/1070085767.db2.gz KFKSGKWPKVIEIJ-UHFFFAOYSA-N 1 0 450.627 3.898 20 0 JHADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)C(=O)Nc3cccc(N4CCCC4=O)c3)ccc2NC1=O ZINC001307625921 1070087209 /nfs/dbraw/zinc/08/72/09/1070087209.db2.gz FVHSBOXUPOTYEV-MRUHUIDDSA-N 1 0 450.539 3.601 20 0 JHADRO CCOCc1nnc(N(C)Cc2cc(Br)cs2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001314302088 1070087460 /nfs/dbraw/zinc/08/74/60/1070087460.db2.gz OBTOYXRJMCAUCU-QGZVFWFLSA-N 1 0 486.480 3.632 20 0 JHADRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC001307626861 1070087977 /nfs/dbraw/zinc/08/79/77/1070087977.db2.gz ODTXBXDTQCOKBR-HUUCEWRRSA-N 1 0 457.456 3.916 20 0 JHADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC001307628613 1070088726 /nfs/dbraw/zinc/08/87/26/1070088726.db2.gz HBAKSFLBUQGBFT-HXUWFJFHSA-N 1 0 450.402 3.957 20 0 JHADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)ccc1OC1CCCC1 ZINC001307632345 1070091382 /nfs/dbraw/zinc/09/13/82/1070091382.db2.gz QMUVIDHXXPXTLP-XLIONFOSSA-N 1 0 453.539 3.545 20 0 JHADRO COc1cc([C@H](C)[NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)ccc1OC1CCCC1 ZINC001307632344 1070091613 /nfs/dbraw/zinc/09/16/13/1070091613.db2.gz QMUVIDHXXPXTLP-PXNSSMCTSA-N 1 0 453.539 3.545 20 0 JHADRO CC[C@@H]([NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC001307632746 1070092256 /nfs/dbraw/zinc/09/22/56/1070092256.db2.gz KYTYMRPAMFIIKN-OFNKIYASSA-N 1 0 457.621 3.732 20 0 JHADRO COc1ccc(NC(=O)C[NH2+][C@H](CC2CCCC2)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC001307634898 1070092845 /nfs/dbraw/zinc/09/28/45/1070092845.db2.gz MFVYHQBTVJHENR-OAQYLSRUSA-N 1 0 459.612 3.795 20 0 JHADRO CCOCc1nnc(N(C)Cc2cccc(Br)c2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001314306723 1070094183 /nfs/dbraw/zinc/09/41/83/1070094183.db2.gz ROJVIROHGBVBJX-KRWDZBQOSA-N 1 0 450.425 3.945 20 0 JHADRO C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1ccc(F)cc1 ZINC001312733770 1070097495 /nfs/dbraw/zinc/09/74/95/1070097495.db2.gz MTCKMQPVJAZVEZ-GHTZIAJQSA-N 1 0 457.500 3.884 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCc1ccc(C)cc1C ZINC001314311617 1070098400 /nfs/dbraw/zinc/09/84/00/1070098400.db2.gz JAARLIITSINXKJ-JYFHCDHNSA-N 1 0 479.673 3.927 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCc1c(C)cccc1C ZINC001314311979 1070099475 /nfs/dbraw/zinc/09/94/75/1070099475.db2.gz OMFSWWLXLBSWHP-BKMJKUGQSA-N 1 0 479.673 3.927 20 0 JHADRO C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC001312750542 1070103285 /nfs/dbraw/zinc/10/32/85/1070103285.db2.gz XHLOONNNTLBKHH-RTGAMMJTSA-N 1 0 452.574 3.842 20 0 JHADRO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC001307653411 1070104594 /nfs/dbraw/zinc/10/45/94/1070104594.db2.gz GAPCESADBJUJLX-UYAOXDASSA-N 1 0 458.986 3.949 20 0 JHADRO CCOCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCNc1ncc(Cl)cc1Cl ZINC001314321083 1070106532 /nfs/dbraw/zinc/10/65/32/1070106532.db2.gz HPYSRRLYEOOZHD-GJZGRUSLSA-N 1 0 456.422 3.547 20 0 JHADRO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(-n2cccn2)c(F)c1 ZINC001312759284 1070108484 /nfs/dbraw/zinc/10/84/84/1070108484.db2.gz KWQVDHWKGHCMOW-AVRDEDQJSA-N 1 0 451.546 3.529 20 0 JHADRO COC(=O)COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC001307665184 1070112061 /nfs/dbraw/zinc/11/20/61/1070112061.db2.gz RQQYXUUKGAMIMW-KUHUBIRLSA-N 1 0 452.429 3.593 20 0 JHADRO CCN(CC)C(=O)CCC1CC[NH+](C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001307676200 1070118923 /nfs/dbraw/zinc/11/89/23/1070118923.db2.gz VWEYWRISNJBGDB-SANMLTNESA-N 1 0 459.631 3.511 20 0 JHADRO CCO[C@H]1C[C@](CO)([NH2+]CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)C1(C)C ZINC001307683175 1070123753 /nfs/dbraw/zinc/12/37/53/1070123753.db2.gz ISRZIRZUEUVLPA-SQJMNOBHSA-N 1 0 457.640 3.711 20 0 JHADRO CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)C1(C)C ZINC001307683173 1070123793 /nfs/dbraw/zinc/12/37/93/1070123793.db2.gz ISRZIRZUEUVLPA-OFVILXPXSA-N 1 0 457.640 3.711 20 0 JHADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001312799007 1070128981 /nfs/dbraw/zinc/12/89/81/1070128981.db2.gz XCSKUJJWAMUYGZ-ZACQAIPSSA-N 1 0 452.562 3.842 20 0 JHADRO COc1cc(NC(=O)CC[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)cc(OC)c1OC ZINC001307691963 1070129231 /nfs/dbraw/zinc/12/92/31/1070129231.db2.gz DHPUZGIFCCGXHU-SFHVURJKSA-N 1 0 452.555 3.803 20 0 JHADRO O=C(CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001307690025 1070127268 /nfs/dbraw/zinc/12/72/68/1070127268.db2.gz GCJRAGKFPYLKFJ-ZJSXRUAMSA-N 1 0 455.624 3.801 20 0 JHADRO COC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)CC1 ZINC001307694846 1070131986 /nfs/dbraw/zinc/13/19/86/1070131986.db2.gz BXKYPIUDUVUJCC-XMSQKQJNSA-N 1 0 452.555 3.722 20 0 JHADRO CC[C@H]([NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1)c1cc(F)cc(Br)c1 ZINC001307697550 1070133563 /nfs/dbraw/zinc/13/35/63/1070133563.db2.gz UTQWHZZPXIPJHX-MSOLQXFVSA-N 1 0 450.308 3.507 20 0 JHADRO O=C1[C@@H]([N@@H+](Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)CCN1CC(F)(F)F ZINC001307698291 1070134247 /nfs/dbraw/zinc/13/42/47/1070134247.db2.gz CHQIGRGPDRCEGQ-RBUKOAKNSA-N 1 0 458.427 3.987 20 0 JHADRO CCOCc1nnc(N2CC[C@H](CN(CC)CC(F)(F)F)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314340690 1070138570 /nfs/dbraw/zinc/13/85/70/1070138570.db2.gz CJSJFSVBXYXRDS-RTBURBONSA-N 1 0 474.616 3.646 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCN1c2ccccc2C[C@H]1C ZINC001314341045 1070139432 /nfs/dbraw/zinc/13/94/32/1070139432.db2.gz FBAABZDQNNOHRW-OAQYLSRUSA-N 1 0 454.663 3.822 20 0 JHADRO CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001312825081 1070143719 /nfs/dbraw/zinc/14/37/19/1070143719.db2.gz OFDWZZVTQVKXRP-LEWJYISDSA-N 1 0 456.660 3.778 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001314342687 1070145122 /nfs/dbraw/zinc/14/51/22/1070145122.db2.gz XFOIUCSQLHSVAJ-FQEVSTJZSA-N 1 0 478.682 3.772 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)C(C)(C)C1 ZINC001307720205 1070145257 /nfs/dbraw/zinc/14/52/57/1070145257.db2.gz BTGZJJHRSZWZPN-ICSRJNTNSA-N 1 0 458.628 3.974 20 0 JHADRO C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001312827112 1070145475 /nfs/dbraw/zinc/14/54/75/1070145475.db2.gz WVDGQGAHLYRFOO-UNMCSNQZSA-N 1 0 457.640 3.795 20 0 JHADRO CCOCc1nnc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001314344284 1070148173 /nfs/dbraw/zinc/14/81/73/1070148173.db2.gz UPGSEIZVXGLKDH-BVAGGSTKSA-N 1 0 455.647 3.857 20 0 JHADRO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C3CCCC3)nc2c1 ZINC001307727714 1070153060 /nfs/dbraw/zinc/15/30/60/1070153060.db2.gz JEWMCDZVDQETIT-SFHVURJKSA-N 1 0 451.589 3.795 20 0 JHADRO CCOCc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1Cc1ccccc1C[NH+](CC)CC ZINC001314347308 1070155283 /nfs/dbraw/zinc/15/52/83/1070155283.db2.gz VSRLPHCLAWAYRC-UHFFFAOYSA-N 1 0 469.552 3.598 20 0 JHADRO CCOCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1Cc1cccc(Cl)c1 ZINC001314347929 1070156761 /nfs/dbraw/zinc/15/67/61/1070156761.db2.gz WVUKSIIHPKXMLB-UHFFFAOYSA-N 1 0 461.054 3.511 20 0 JHADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCc3cccc(Br)c3Cl)CC2)CC1 ZINC001312870665 1070160806 /nfs/dbraw/zinc/16/08/06/1070160806.db2.gz RNLSBLFCLDVGTH-UHFFFAOYSA-N 1 0 457.844 3.803 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC001307742047 1070161077 /nfs/dbraw/zinc/16/10/77/1070161077.db2.gz OHDJHMKLYCHZAR-HJNYFJLDSA-N 1 0 459.562 3.561 20 0 JHADRO CCOCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314348115 1070156906 /nfs/dbraw/zinc/15/69/06/1070156906.db2.gz CJWGIUMITZSFAD-SFTDATJTSA-N 1 0 456.635 3.686 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314348650 1070159003 /nfs/dbraw/zinc/15/90/03/1070159003.db2.gz DSYHOCUYMROUGK-TZIWHRDSSA-N 1 0 478.682 3.819 20 0 JHADRO O=C1c2ccccc2C(=O)N1CCOCC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC001307748007 1070163845 /nfs/dbraw/zinc/16/38/45/1070163845.db2.gz ZDFHVJWXXZVEGB-UHFFFAOYSA-N 1 0 457.368 3.974 20 0 JHADRO CCOCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001314350028 1070165106 /nfs/dbraw/zinc/16/51/06/1070165106.db2.gz QUNZTMDFBKUFGZ-QFIPXVFZSA-N 1 0 484.645 3.562 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001312884346 1070166286 /nfs/dbraw/zinc/16/62/86/1070166286.db2.gz FKYPZEZFLBDNJI-AGILITTLSA-N 1 0 459.537 3.585 20 0 JHADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)cc1 ZINC001307759811 1070170875 /nfs/dbraw/zinc/17/08/75/1070170875.db2.gz ASQALSDEVKUQDP-BFUOFWGJSA-N 1 0 451.386 3.847 20 0 JHADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)cc1 ZINC001307759817 1070171036 /nfs/dbraw/zinc/17/10/36/1070171036.db2.gz ASQALSDEVKUQDP-YJYMSZOUSA-N 1 0 451.386 3.847 20 0 JHADRO CC(C)(C)OC(=O)NCC[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)CCc1ccccc1 ZINC001307764992 1070174546 /nfs/dbraw/zinc/17/45/46/1070174546.db2.gz CRRPZHNECGEEMW-UHFFFAOYSA-N 1 0 455.555 3.813 20 0 JHADRO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C[NH2+][C@H]1CCOC1(C)C ZINC001307776084 1070178615 /nfs/dbraw/zinc/17/86/15/1070178615.db2.gz ICEROAKOBCXGJT-INIZCTEOSA-N 1 0 459.568 3.581 20 0 JHADRO CCOC(=O)C1([S@](C)=O)CCN(C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001307776816 1070179560 /nfs/dbraw/zinc/17/95/60/1070179560.db2.gz SOIZQERYKFOUMJ-QNLPTKCRSA-N 1 0 456.652 3.678 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314360112 1070183026 /nfs/dbraw/zinc/18/30/26/1070183026.db2.gz IGCFTPKMOCHPCV-VQTJNVASSA-N 1 0 497.669 3.738 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC001307794593 1070184615 /nfs/dbraw/zinc/18/46/15/1070184615.db2.gz QAYSBWMPSJLNKB-KMDXXIMOSA-N 1 0 454.611 3.977 20 0 JHADRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC001307795328 1070185418 /nfs/dbraw/zinc/18/54/18/1070185418.db2.gz YHBYAQJEBSMFTN-UHFFFAOYSA-N 1 0 450.992 3.647 20 0 JHADRO C[C@H]1CN(C(=O)CN(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001307796730 1070186134 /nfs/dbraw/zinc/18/61/34/1070186134.db2.gz QCTPUTRZFTWXRN-DHLKQENFSA-N 1 0 450.627 3.574 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314364282 1070191942 /nfs/dbraw/zinc/19/19/42/1070191942.db2.gz GZIGCEGQIPCYDE-HXUWFJFHSA-N 1 0 478.682 3.678 20 0 JHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001307808496 1070193363 /nfs/dbraw/zinc/19/33/63/1070193363.db2.gz LXGORYOSQVNQGO-VQTJNVASSA-N 1 0 452.574 3.731 20 0 JHADRO Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001312946303 1070193560 /nfs/dbraw/zinc/19/35/60/1070193560.db2.gz FJABKESJVASGJJ-IBGZPJMESA-N 1 0 450.505 3.555 20 0 JHADRO C[C@H]1CN(C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)CCN1c1cc[nH+]cc1 ZINC001312957339 1070198724 /nfs/dbraw/zinc/19/87/24/1070198724.db2.gz FREQSDOFRQMMKR-KRWDZBQOSA-N 1 0 457.550 3.666 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC001307819549 1070199376 /nfs/dbraw/zinc/19/93/76/1070199376.db2.gz MPZOCGJYCUPYCJ-CDHQVMDDSA-N 1 0 450.457 3.651 20 0 JHADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001307827390 1070202558 /nfs/dbraw/zinc/20/25/58/1070202558.db2.gz PMSRQSXPPCTJGX-CABCVRRESA-N 1 0 453.992 3.585 20 0 JHADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1F ZINC001307831226 1070205194 /nfs/dbraw/zinc/20/51/94/1070205194.db2.gz LJITWLMLNIJWFZ-CMJOXMDJSA-N 1 0 450.501 3.905 20 0 JHADRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 ZINC001307835089 1070205886 /nfs/dbraw/zinc/20/58/86/1070205886.db2.gz SBXYFTXVHUACEY-WOJBJXKFSA-N 1 0 471.623 3.682 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001314369922 1070205961 /nfs/dbraw/zinc/20/59/61/1070205961.db2.gz TYJLXUWISJQEAU-UPVQGACJSA-N 1 0 465.646 3.990 20 0 JHADRO COc1ccc([C@H](O)C[N@H+](CCn2cnc(Br)n2)[C@@H](C)Cc2ccccc2)cc1 ZINC001307846309 1070209709 /nfs/dbraw/zinc/20/97/09/1070209709.db2.gz VIOIIMNVNIJQSB-LAUBAEHRSA-N 1 0 459.388 3.716 20 0 JHADRO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)cc1 ZINC001307849288 1070210316 /nfs/dbraw/zinc/21/03/16/1070210316.db2.gz GMOPIHMUDGRWKT-LJQANCHMSA-N 1 0 452.617 3.643 20 0 JHADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001312990112 1070212696 /nfs/dbraw/zinc/21/26/96/1070212696.db2.gz LKOFBEKZOYRXSE-UPZYVNNASA-N 1 0 462.610 3.900 20 0 JHADRO O=C(CC[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1)NC(=O)NCC(F)(F)F ZINC001307862657 1070215592 /nfs/dbraw/zinc/21/55/92/1070215592.db2.gz BWQIFLALSUZYPC-OAHLLOKOSA-N 1 0 450.299 3.624 20 0 JHADRO Cn1cc([C@@H]2C[N@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001307864576 1070216673 /nfs/dbraw/zinc/21/66/73/1070216673.db2.gz CEECFUSKHVCAEH-AZUAARDMSA-N 1 0 477.005 3.770 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H]2Cc2ccccc2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314378397 1070221095 /nfs/dbraw/zinc/22/10/95/1070221095.db2.gz NBQQFSJHMSDMTQ-QNWVGRARSA-N 1 0 455.647 3.914 20 0 JHADRO Brc1cncc(O[C@H]2CC[N@H+](CCCCCn3nnc(-c4ccccc4)n3)C2)c1 ZINC001307882893 1070223283 /nfs/dbraw/zinc/22/32/83/1070223283.db2.gz SADGLYPRVGAVNU-IBGZPJMESA-N 1 0 457.376 3.821 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)C[C@H]1c1ccc(Cl)cc1 ZINC001307882004 1070222546 /nfs/dbraw/zinc/22/25/46/1070222546.db2.gz FFVNPKQKEWLRKF-FBROZUCGSA-N 1 0 479.017 3.945 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314384227 1070228160 /nfs/dbraw/zinc/22/81/60/1070228160.db2.gz BFPKMJSVDPMXEQ-HBMCJLEFSA-N 1 0 478.682 3.628 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CC2(O)C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1(C)C ZINC001307888826 1070226990 /nfs/dbraw/zinc/22/69/90/1070226990.db2.gz XVTPLJBGZVEKEE-IDQDWSSPSA-N 1 0 453.624 3.561 20 0 JHADRO COCC[N@@H+]1CCN(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)C(C)(C)C1 ZINC001307891907 1070227640 /nfs/dbraw/zinc/22/76/40/1070227640.db2.gz GDWMYRJALXERDZ-NRFANRHFSA-N 1 0 458.990 3.653 20 0 JHADRO CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@@H](Oc4cncc(Br)c4)C3)cc(=O)oc2c1 ZINC001307883803 1070224055 /nfs/dbraw/zinc/22/40/55/1070224055.db2.gz YIQMBAJZPQKMDK-QGZVFWFLSA-N 1 0 458.312 3.562 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC001307885047 1070225121 /nfs/dbraw/zinc/22/51/21/1070225121.db2.gz FPKAXGSZZQCJFU-GBAJDQEWSA-N 1 0 459.587 3.939 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001314382187 1070225221 /nfs/dbraw/zinc/22/52/21/1070225221.db2.gz PCPLDEGRPGOWGI-UHFFFAOYSA-N 1 0 489.064 3.552 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314386302 1070232873 /nfs/dbraw/zinc/23/28/73/1070232873.db2.gz YGNDHFNWQJSODH-IEBWSBKVSA-N 1 0 478.663 3.625 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3nnc(-c4cccc(O)c4)o3)C2)C1 ZINC001307905516 1070233281 /nfs/dbraw/zinc/23/32/81/1070233281.db2.gz RMLUVMTWAMVONI-QWFCFKBJSA-N 1 0 458.559 3.727 20 0 JHADRO O=C(N1C[C@H]([NH2+]Cc2cn3cc(Br)ccc3n2)Cc2ccccc21)C(F)(F)F ZINC001307914499 1070237760 /nfs/dbraw/zinc/23/77/60/1070237760.db2.gz QMBYBJBVAVLNDI-CQSZACIVSA-N 1 0 453.262 3.707 20 0 JHADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)[C@H]2CCCC[C@@H]12 ZINC001307911332 1070236918 /nfs/dbraw/zinc/23/69/18/1070236918.db2.gz ZNRNYEIYABFMCS-BURNTYAHSA-N 1 0 450.620 3.846 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCc1ccccc1OC(F)F ZINC001314389608 1070242029 /nfs/dbraw/zinc/24/20/29/1070242029.db2.gz BPQYRTAONAZMOO-GOSISDBHSA-N 1 0 463.573 3.969 20 0 JHADRO CCOCc1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314391249 1070245982 /nfs/dbraw/zinc/24/59/82/1070245982.db2.gz WDPBTPWJGHZHAN-GHTZIAJQSA-N 1 0 487.649 3.596 20 0 JHADRO CCOCc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001314390477 1070243982 /nfs/dbraw/zinc/24/39/82/1070243982.db2.gz SWRHFAZIQCRFKD-IBGZPJMESA-N 1 0 476.616 3.850 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001314390344 1070244023 /nfs/dbraw/zinc/24/40/23/1070244023.db2.gz KSTPQGJJHYIWQV-JPYJTQIMSA-N 1 0 481.563 3.575 20 0 JHADRO O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001313082449 1070244323 /nfs/dbraw/zinc/24/43/23/1070244323.db2.gz QTSUUYORLZFOQZ-HZPDHXFCSA-N 1 0 478.968 3.789 20 0 JHADRO CCOCc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001314392433 1070248587 /nfs/dbraw/zinc/24/85/87/1070248587.db2.gz YOVSEWXKDQDDEG-HXUWFJFHSA-N 1 0 476.616 3.787 20 0 JHADRO O=C(N1CCC[C@H](C2CC[NH+]([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1)C(F)(F)F ZINC001307939983 1070251046 /nfs/dbraw/zinc/25/10/46/1070251046.db2.gz BTZDGLBDUUEEQO-LEWJYISDSA-N 1 0 451.533 3.691 20 0 JHADRO CCOCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001314398031 1070258126 /nfs/dbraw/zinc/25/81/26/1070258126.db2.gz YXWCXTZJRUCRCL-HXUWFJFHSA-N 1 0 486.661 3.829 20 0 JHADRO CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001314399797 1070260073 /nfs/dbraw/zinc/26/00/73/1070260073.db2.gz DRMVRYAQDLQYOB-ZCYQVOJMSA-N 1 0 455.647 3.896 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)N2CCCC[C@@H]2C[C@@H](C)O)cc1 ZINC001313133550 1070263044 /nfs/dbraw/zinc/26/30/44/1070263044.db2.gz SRZZMSJEQLPYBX-AAVWJAMMSA-N 1 0 451.611 3.998 20 0 JHADRO CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1CCc1csc(CC)n1 ZINC001314399822 1070261268 /nfs/dbraw/zinc/26/12/68/1070261268.db2.gz FUWFCSMIISQWIV-UHFFFAOYSA-N 1 0 454.644 3.707 20 0 JHADRO COc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)c3ccc4[nH]c(=O)oc4c3)n2)c(OC)c1 ZINC001307970797 1070263889 /nfs/dbraw/zinc/26/38/89/1070263889.db2.gz LCBHHSHECQLOSD-GFCCVEGCSA-N 1 0 454.508 3.963 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001313135959 1070265142 /nfs/dbraw/zinc/26/51/42/1070265142.db2.gz IZIVYGHRTOTVAW-RQNQAMLKSA-N 1 0 456.631 3.940 20 0 JHADRO C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(F)cc1 ZINC001313140360 1070267203 /nfs/dbraw/zinc/26/72/03/1070267203.db2.gz URKKEGRILNROSS-RBUKOAKNSA-N 1 0 452.452 3.552 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@@H](CC[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2ccccc2)cc1 ZINC001307993813 1070272969 /nfs/dbraw/zinc/27/29/69/1070272969.db2.gz UCCMUUMEUYKBME-ARNLJNQMSA-N 1 0 467.591 3.625 20 0 JHADRO C[NH+](C)C[C@@H](NCc1nnnn1-c1ccc(OC(F)F)cc1)c1ccc(Cl)c(Cl)c1 ZINC001307984223 1070269867 /nfs/dbraw/zinc/26/98/67/1070269867.db2.gz YGQJLACNVJXQAS-QGZVFWFLSA-N 1 0 457.312 3.963 20 0 JHADRO Cc1cc2ncn(C[C@@H](O)C[NH+]3CCC(O)(Cc4nc(C(C)(C)C)cs4)CC3)c2cc1C ZINC001308004612 1070276444 /nfs/dbraw/zinc/27/64/44/1070276444.db2.gz BHOSUEUWYSQCGI-IBGZPJMESA-N 1 0 456.656 3.838 20 0 JHADRO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[N@@H+]1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001308007816 1070277290 /nfs/dbraw/zinc/27/72/90/1070277290.db2.gz XJPXZEWPXGZEDH-QHCPKHFHSA-N 1 0 451.533 3.877 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@H](C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c2ccccc2)cc1 ZINC001308008189 1070277535 /nfs/dbraw/zinc/27/75/35/1070277535.db2.gz ZTTSOTYGJJAMEQ-ILBGXUMGSA-N 1 0 458.624 3.675 20 0 JHADRO CCOCCN(C(=O)NC[C@H]1CN(Cc2ccc(C)cc2)CCO1)[C@@H]1CCc2ccccc21 ZINC001313170290 1070279026 /nfs/dbraw/zinc/27/90/26/1070279026.db2.gz XJUGNDAGSWZMIS-AZGAKELHSA-N 1 0 451.611 3.931 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001314413246 1070279131 /nfs/dbraw/zinc/27/91/31/1070279131.db2.gz RFXOZKLIPPYYMO-NHCUHLMSSA-N 1 0 472.634 3.529 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001314413248 1070279393 /nfs/dbraw/zinc/27/93/93/1070279393.db2.gz RFXOZKLIPPYYMO-RTWAWAEBSA-N 1 0 472.634 3.529 20 0 JHADRO COC[C@H]([NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(Br)c1 ZINC001308019822 1070283317 /nfs/dbraw/zinc/28/33/17/1070283317.db2.gz NSPHYPIPAQAILX-RBUKOAKNSA-N 1 0 457.409 3.734 20 0 JHADRO C[NH+]1CCC(CNC(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)(c2ccccc2)CC1 ZINC001313186588 1070286424 /nfs/dbraw/zinc/28/64/24/1070286424.db2.gz OEBCZEBMXFOGHV-RLWLMLJZSA-N 1 0 456.631 3.881 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001314418410 1070286681 /nfs/dbraw/zinc/28/66/81/1070286681.db2.gz POPSYDHBWOTSMI-DENIHFKCSA-N 1 0 495.603 3.620 20 0 JHADRO C[C@@H]1C[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001308049650 1070292632 /nfs/dbraw/zinc/29/26/32/1070292632.db2.gz BBGRCJOKQTVCDG-HOYKHHGWSA-N 1 0 453.624 3.734 20 0 JHADRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001313201050 1070291222 /nfs/dbraw/zinc/29/12/22/1070291222.db2.gz BLOGYMVJINNDFS-LJQANCHMSA-N 1 0 453.425 3.712 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314421560 1070294271 /nfs/dbraw/zinc/29/42/71/1070294271.db2.gz VCSLFCRGHNTAGW-HSALFYBXSA-N 1 0 477.053 3.746 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001314421764 1070294776 /nfs/dbraw/zinc/29/47/76/1070294776.db2.gz PTKWOECNNLSXHU-WMZHIEFXSA-N 1 0 452.603 3.838 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C(F)(F)F ZINC001308058143 1070296551 /nfs/dbraw/zinc/29/65/51/1070296551.db2.gz BNQZWVUDVASFKH-WBMJQRKESA-N 1 0 451.436 3.928 20 0 JHADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1C ZINC001308060926 1070297107 /nfs/dbraw/zinc/29/71/07/1070297107.db2.gz CMHUEQFKZTWMEQ-IBGZPJMESA-N 1 0 459.612 3.776 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[N@@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@]4(C)C3)C2)C1 ZINC001308062431 1070298049 /nfs/dbraw/zinc/29/80/49/1070298049.db2.gz QANXBDCLBMLDHS-NUQURWJTSA-N 1 0 465.635 3.591 20 0 JHADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)NCc1nc(-c2ccncc2)cs1 ZINC001313242563 1070303438 /nfs/dbraw/zinc/30/34/38/1070303438.db2.gz BBHUIEJAJNPLGC-UHFFFAOYSA-N 1 0 456.660 3.543 20 0 JHADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC001313253294 1070305855 /nfs/dbraw/zinc/30/58/55/1070305855.db2.gz YPFZWRGFUXBKRJ-UHFFFAOYSA-N 1 0 454.438 3.750 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCC[NH+]2CCOCC2)C1 ZINC001314428941 1070310112 /nfs/dbraw/zinc/31/01/12/1070310112.db2.gz FBEDAISSRKZRKM-IBGZPJMESA-N 1 0 492.462 3.683 20 0 JHADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001313279440 1070314296 /nfs/dbraw/zinc/31/42/96/1070314296.db2.gz HDBCQYNBSQQOLM-QFBILLFUSA-N 1 0 454.974 3.623 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314433873 1070318738 /nfs/dbraw/zinc/31/87/38/1070318738.db2.gz ADKNIASNMODYEJ-HXUWFJFHSA-N 1 0 492.709 3.843 20 0 JHADRO Cn1cc([C@H]2CSCCC[N@@H+]2C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cn1 ZINC001308115896 1070318132 /nfs/dbraw/zinc/31/81/32/1070318132.db2.gz QXOYQQFXIDXOBE-VQTJNVASSA-N 1 0 450.649 3.706 20 0 JHADRO CN(C)c1cc[nH+]c(CNC(=O)N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1 ZINC001313295603 1070319083 /nfs/dbraw/zinc/31/90/83/1070319083.db2.gz BRWICEUMCKEBBJ-ZJSXRUAMSA-N 1 0 450.514 3.537 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)[C@H](C)CC)C1 ZINC001314435104 1070321045 /nfs/dbraw/zinc/32/10/45/1070321045.db2.gz COPDFYIKQVMBRD-YPAWHYETSA-N 1 0 492.709 3.986 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001314436546 1070323599 /nfs/dbraw/zinc/32/35/99/1070323599.db2.gz RZUZSIODDGWKGP-ZBFHGGJFSA-N 1 0 468.465 3.972 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc4[nH]c(C(F)(F)F)nc4c3)C[C@@H]2C1 ZINC001308128994 1070324624 /nfs/dbraw/zinc/32/46/24/1070324624.db2.gz UNHJBUWAWCESIV-ZIAGYGMSSA-N 1 0 467.492 3.709 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314441081 1070330261 /nfs/dbraw/zinc/33/02/61/1070330261.db2.gz VIIRDGBAHYILDQ-FUPPJEDESA-N 1 0 454.663 3.883 20 0 JHADRO O=S1(=O)CCC[C@H]2CN(CCC[NH+]3CCC(Cc4ccccc4)CC3)C[C@@]21C(F)(F)F ZINC001308166973 1070333413 /nfs/dbraw/zinc/33/34/13/1070333413.db2.gz YYKMABUYNPKRNK-VXKWHMMOSA-N 1 0 458.590 3.773 20 0 JHADRO C[C@H]([NH2+][C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C)C(=O)NC(=O)NC1CCCCC1 ZINC001308171116 1070334879 /nfs/dbraw/zinc/33/48/79/1070334879.db2.gz LRDKGHHEFOQBNS-AITUJVMLSA-N 1 0 450.624 3.547 20 0 JHADRO CCOC(=O)N1CCC([NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)CC1 ZINC001308194599 1070339576 /nfs/dbraw/zinc/33/95/76/1070339576.db2.gz JVXCJUOOLOTJBP-UHFFFAOYSA-N 1 0 452.393 3.573 20 0 JHADRO COC(=O)c1cc2c(o1)c(OC)ccc2CNc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC001308210380 1070341261 /nfs/dbraw/zinc/34/12/61/1070341261.db2.gz NMRQGCGJVVJSAN-UHFFFAOYSA-N 1 0 451.523 3.537 20 0 JHADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCSC2(CC(C(=O)OC)C2)C1 ZINC001313385780 1070343316 /nfs/dbraw/zinc/34/33/16/1070343316.db2.gz JGGRXQWNFAFXPN-UQRZOWCNSA-N 1 0 459.656 3.757 20 0 JHADRO COc1ccc(CC[C@H](C)[NH2+]C[C@H](O)COc2ccc(I)cc2)cc1 ZINC001308244191 1070344507 /nfs/dbraw/zinc/34/45/07/1070344507.db2.gz HXXBLPDBBRBNRE-YJBOKZPZSA-N 1 0 455.336 3.650 20 0 JHADRO CCOCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001314450966 1070347309 /nfs/dbraw/zinc/34/73/09/1070347309.db2.gz DYWPAHPYXUQAIN-KRWDZBQOSA-N 1 0 451.413 3.527 20 0 JHADRO CN(C)[C@@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1c(F)cccc1F ZINC001308273742 1070350054 /nfs/dbraw/zinc/35/00/54/1070350054.db2.gz KETGSISRZCEVHN-NRFANRHFSA-N 1 0 453.961 3.722 20 0 JHADRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc(Br)c1OC(F)F ZINC001308278040 1070350602 /nfs/dbraw/zinc/35/06/02/1070350602.db2.gz WOWZBURHWLVDOE-CHWSQXEVSA-N 1 0 456.349 3.895 20 0 JHADRO CCOc1cc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc(Br)c1OC(F)F ZINC001308278043 1070350702 /nfs/dbraw/zinc/35/07/02/1070350702.db2.gz WOWZBURHWLVDOE-STQMWFEESA-N 1 0 456.349 3.895 20 0 JHADRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc(Br)c1OC(F)F ZINC001308278041 1070350781 /nfs/dbraw/zinc/35/07/81/1070350781.db2.gz WOWZBURHWLVDOE-OLZOCXBDSA-N 1 0 456.349 3.895 20 0 JHADRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC001308280365 1070351126 /nfs/dbraw/zinc/35/11/26/1070351126.db2.gz XRYZKNUAMANDBN-HNNXBMFYSA-N 1 0 455.347 3.746 20 0 JHADRO COc1cc(Cl)ccc1NC(=O)COc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)cc1OC ZINC001308283160 1070351564 /nfs/dbraw/zinc/35/15/64/1070351564.db2.gz SOMNRBOHRSNXDW-HNNXBMFYSA-N 1 0 458.946 3.959 20 0 JHADRO COc1cc(C[NH2+]C[C@@H](C)Oc2ccc(Br)cc2)cc(Cl)c1OCC(N)=O ZINC001308288145 1070352134 /nfs/dbraw/zinc/35/21/34/1070352134.db2.gz OGWOKOZYWNJMPH-GFCCVEGCSA-N 1 0 457.752 3.532 20 0 JHADRO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)CC1)CC(C)C ZINC001313416734 1070353618 /nfs/dbraw/zinc/35/36/18/1070353618.db2.gz BEQGYGOSPIXBCU-GOSISDBHSA-N 1 0 454.457 3.750 20 0 JHADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC001308299042 1070353722 /nfs/dbraw/zinc/35/37/22/1070353722.db2.gz BXFUKBMURBFODX-XJKSGUPXSA-N 1 0 453.381 3.947 20 0 JHADRO O=S(=O)(Cc1ccon1)NCC[NH2+]Cc1ccccc1Oc1cc(Cl)cc(Cl)c1 ZINC001308298516 1070353752 /nfs/dbraw/zinc/35/37/52/1070353752.db2.gz SVZFHZSVPAKOHN-UHFFFAOYSA-N 1 0 456.351 3.983 20 0 JHADRO COc1cc2[nH]c(CCC[NH2+]Cc3ncc(I)s3)cc2c(OC)c1 ZINC001308327835 1070357287 /nfs/dbraw/zinc/35/72/87/1070357287.db2.gz UIWJYRXGZOEMBE-UHFFFAOYSA-N 1 0 457.337 3.969 20 0 JHADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)s1 ZINC001308333604 1070358520 /nfs/dbraw/zinc/35/85/20/1070358520.db2.gz QDORKCKGVJJOQZ-UHFFFAOYSA-N 1 0 450.626 3.919 20 0 JHADRO CC[NH+](CC)CC[C@H](C)NC(=O)N1CCC[C@H]([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC001313433541 1070358925 /nfs/dbraw/zinc/35/89/25/1070358925.db2.gz RNHRYKOSBSJBEV-TUFLPTIASA-N 1 0 454.656 3.601 20 0 JHADRO Cc1ccc(NCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cc1N1CCCS1(=O)=O ZINC001308314102 1070355158 /nfs/dbraw/zinc/35/51/58/1070355158.db2.gz NFARZXCMHIHIGP-UHFFFAOYSA-N 1 0 453.511 3.530 20 0 JHADRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc(I)c(Br)cc1F ZINC001308322996 1070356496 /nfs/dbraw/zinc/35/64/96/1070356496.db2.gz YVGZRDVRHCCNDL-BJOHPYRUSA-N 1 0 453.137 3.765 20 0 JHADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC001308369836 1070362604 /nfs/dbraw/zinc/36/26/04/1070362604.db2.gz STEBXSHCKRMJPE-UHFFFAOYSA-N 1 0 455.365 3.733 20 0 JHADRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1ccnc3c(Br)cccc13)CC2 ZINC001308373591 1070363809 /nfs/dbraw/zinc/36/38/09/1070363809.db2.gz BSTVMVLKKNDSNM-OAHLLOKOSA-N 1 0 456.388 3.684 20 0 JHADRO CCOc1cc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc(Br)c1OCC(=O)N(C)C ZINC001308369504 1070362248 /nfs/dbraw/zinc/36/22/48/1070362248.db2.gz NTRSJZGGBRWGDW-HZPDHXFCSA-N 1 0 457.409 3.610 20 0 JHADRO CCOCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001314460469 1070366909 /nfs/dbraw/zinc/36/69/09/1070366909.db2.gz IAMUNWRSMRDYQU-UHFFFAOYSA-N 1 0 478.682 3.786 20 0 JHADRO O=C([C@@H](C[NH2+]Cc1cc(F)ccc1Br)Cc1cccc(F)c1)N1CCOCC1 ZINC001308394082 1070367291 /nfs/dbraw/zinc/36/72/91/1070367291.db2.gz CJNLRILFGIDQQE-QGZVFWFLSA-N 1 0 453.327 3.535 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001313447884 1070368848 /nfs/dbraw/zinc/36/88/48/1070368848.db2.gz LJAMHFFGKWJOJS-NRFANRHFSA-N 1 0 491.084 3.762 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001314464418 1070374070 /nfs/dbraw/zinc/37/40/70/1070374070.db2.gz FBLRYTZDAGJGCI-UHFFFAOYSA-N 1 0 487.446 3.608 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313449883 1070376604 /nfs/dbraw/zinc/37/66/04/1070376604.db2.gz ZERWIWNQCFVTCU-PMACEKPBSA-N 1 0 474.053 3.609 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CC)C1 ZINC001313450094 1070377075 /nfs/dbraw/zinc/37/70/75/1070377075.db2.gz IWPWHYMXKLNLQT-QHAWAJNXSA-N 1 0 476.666 3.697 20 0 JHADRO CCOCCN(C)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314466510 1070377186 /nfs/dbraw/zinc/37/71/86/1070377186.db2.gz DSIMSTZLGKLOOX-PMACEKPBSA-N 1 0 466.630 3.854 20 0 JHADRO COc1cc(CNc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)cc2c1OCCO2 ZINC001308480574 1070380600 /nfs/dbraw/zinc/38/06/00/1070380600.db2.gz AQRSBVBTJAKITF-UHFFFAOYSA-N 1 0 456.543 3.531 20 0 JHADRO CC(C)(C)OC(=O)NCc1cn(-c2cccc(C[NH2+]Cc3cnc(C(C)(C)C)nc3)c2)nn1 ZINC001308480541 1070380272 /nfs/dbraw/zinc/38/02/72/1070380272.db2.gz ZZTXNLACCJHCFB-UHFFFAOYSA-N 1 0 451.575 3.669 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001313450559 1070378057 /nfs/dbraw/zinc/37/80/57/1070378057.db2.gz ZDECIEVDWFFBNN-BHIFYINESA-N 1 0 489.686 3.533 20 0 JHADRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)ccc1OCCOc1ccccc1Cl ZINC001308456604 1070378091 /nfs/dbraw/zinc/37/80/91/1070378091.db2.gz JYRZQPKNQSOCEH-SJLPKXTDSA-N 1 0 453.988 3.862 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001313450960 1070378598 /nfs/dbraw/zinc/37/85/98/1070378598.db2.gz SGAVVIVSRVOGKB-RTWAWAEBSA-N 1 0 467.662 3.654 20 0 JHADRO COc1cc(C[NH2+]C[C@@]2(C)OCCc3ccccc32)cc(I)c1OC ZINC001308502702 1070382623 /nfs/dbraw/zinc/38/26/23/1070382623.db2.gz YGGUUGXRFKRGST-HXUWFJFHSA-N 1 0 453.320 3.886 20 0 JHADRO CCCn1nc(-c2nnc(N(C)CC(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c2ccccc2c1=O ZINC001313452483 1070382942 /nfs/dbraw/zinc/38/29/42/1070382942.db2.gz ITFWOWJDWXVYDT-NRFANRHFSA-N 1 0 495.672 3.514 20 0 JHADRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccccc2Oc2ccc(Br)cc2F)CC1 ZINC001308524429 1070385514 /nfs/dbraw/zinc/38/55/14/1070385514.db2.gz XOLVDFGLJMLWAR-UHFFFAOYSA-N 1 0 457.365 3.894 20 0 JHADRO CCCn1nc(-c2nnc(N(C)CC(F)(F)F)n2CC[N@@H+]2CCC[C@H]2C)c2ccccc2c1=O ZINC001313452771 1070383497 /nfs/dbraw/zinc/38/34/97/1070383497.db2.gz KUKYSYWACNFOIB-MRXNPFEDSA-N 1 0 477.535 3.548 20 0 JHADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC001308518473 1070384815 /nfs/dbraw/zinc/38/48/15/1070384815.db2.gz UBGUEAYOCMIMEB-UHFFFAOYSA-N 1 0 454.386 3.736 20 0 JHADRO Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001308524500 1070385629 /nfs/dbraw/zinc/38/56/29/1070385629.db2.gz YOBNYVBESBGGKS-HTWNETDVSA-N 1 0 458.356 3.709 20 0 JHADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC001308520369 1070384931 /nfs/dbraw/zinc/38/49/31/1070384931.db2.gz ZHYRHZZCQTVABG-UHFFFAOYSA-N 1 0 457.015 3.763 20 0 JHADRO Fc1ccc(Oc2ccc(Br)cc2)c(C[NH2+]CCN2CCC3(C2)OCCO3)c1 ZINC001308530146 1070386202 /nfs/dbraw/zinc/38/62/02/1070386202.db2.gz IJYIEPNHCSPTNL-UHFFFAOYSA-N 1 0 451.336 3.919 20 0 JHADRO CCCn1nc(-c2nnc(N(CC)C(C)C)n2CC2([NH+](C)C)CCC2)c2ccccc2c1=O ZINC001313454163 1070387994 /nfs/dbraw/zinc/38/79/94/1070387994.db2.gz DQGYTNZHBMVVJH-UHFFFAOYSA-N 1 0 451.619 3.784 20 0 JHADRO Brc1cnc2n1C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1)CC2 ZINC001308549708 1070388432 /nfs/dbraw/zinc/38/84/32/1070388432.db2.gz OWFSCUGXPSHDMQ-CQSZACIVSA-N 1 0 451.166 3.903 20 0 JHADRO CCCn1nc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CCCSC)c2ccccc2c1=O ZINC001313455508 1070392870 /nfs/dbraw/zinc/39/28/70/1070392870.db2.gz MTNGPCBANMHCMK-OALUTQOASA-N 1 0 483.686 3.737 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC(F)(F)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313455522 1070393191 /nfs/dbraw/zinc/39/31/91/1070393191.db2.gz MXOCZODXUOSDRH-UHFFFAOYSA-N 1 0 473.572 3.641 20 0 JHADRO NC(=O)COC1CC[NH+](Cc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn32)CC1 ZINC001308578241 1070393789 /nfs/dbraw/zinc/39/37/89/1070393789.db2.gz NWFVTVKMKJIZCD-UHFFFAOYSA-N 1 0 450.436 3.626 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC[C@@H](C)CC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001313456427 1070395779 /nfs/dbraw/zinc/39/57/79/1070395779.db2.gz XFHNNEVQNZNBJF-RTBURBONSA-N 1 0 451.619 3.642 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[C@@H](C)C3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313455920 1070394409 /nfs/dbraw/zinc/39/44/09/1070394409.db2.gz QAABCBATHHZOEF-RTBURBONSA-N 1 0 451.619 3.642 20 0 JHADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2c(C(C)C)nc3sc(C)nn32)C(C)C)cc1 ZINC001308585855 1070394745 /nfs/dbraw/zinc/39/47/45/1070394745.db2.gz GFOINFZXHBIXLL-IBGZPJMESA-N 1 0 459.616 3.831 20 0 JHADRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1ccc(F)cc1I ZINC001308610599 1070400818 /nfs/dbraw/zinc/40/08/18/1070400818.db2.gz MXXIXNGIEOBMBP-UHFFFAOYSA-N 1 0 453.343 3.684 20 0 JHADRO NS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1Cl ZINC001308604402 1070400156 /nfs/dbraw/zinc/40/01/56/1070400156.db2.gz YAYGMXUTRUSSHA-DEOSSOPVSA-N 1 0 456.995 3.824 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001308603063 1070400236 /nfs/dbraw/zinc/40/02/36/1070400236.db2.gz FPPSWWLUWZYTPV-LAUBAEHRSA-N 1 0 451.558 3.735 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CCOc2ccc(F)c(F)c2)C[C@H]1CC ZINC001314494400 1070409976 /nfs/dbraw/zinc/40/99/76/1070409976.db2.gz QULQPDRMWVHHDF-GOSISDBHSA-N 1 0 465.589 3.870 20 0 JHADRO CCOCCN1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001314494141 1070410102 /nfs/dbraw/zinc/41/01/02/1070410102.db2.gz NPFFKMSWXKBKNV-HSZRJFAPSA-N 1 0 456.679 3.599 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(F)cc2F)C[C@@H]1CC ZINC001314494833 1070410966 /nfs/dbraw/zinc/41/09/66/1070410966.db2.gz CFASJUKWTOSFKV-FQEVSTJZSA-N 1 0 456.541 3.604 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C[C@@H]21 ZINC001308638745 1070408361 /nfs/dbraw/zinc/40/83/61/1070408361.db2.gz ZZHAIFGXLFALID-AKHDSKFASA-N 1 0 453.624 3.984 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccnc(C(F)(F)F)c2)C[C@@H]1CC ZINC001314495333 1070412763 /nfs/dbraw/zinc/41/27/63/1070412763.db2.gz HNDUVRCYOIFOOP-SFHVURJKSA-N 1 0 477.535 3.672 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CCc2cccc(F)c2F)C[C@H]1CC ZINC001314496160 1070416106 /nfs/dbraw/zinc/41/61/06/1070416106.db2.gz OLKJUZPIBFBBOQ-LJQANCHMSA-N 1 0 458.557 3.731 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cc(C)nn2C)C[C@@H]1CC ZINC001314496310 1070417061 /nfs/dbraw/zinc/41/70/61/1070417061.db2.gz HTPGWBFICJABCW-NRFANRHFSA-N 1 0 472.037 3.626 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCC(OC)CC2)C[C@@H]1CC ZINC001314497710 1070421450 /nfs/dbraw/zinc/42/14/50/1070421450.db2.gz FGVSQQVWFPQOPG-ZWDXQAFOSA-N 1 0 463.667 3.662 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccncc2Cl)C[C@@H]1CC ZINC001314497928 1070422251 /nfs/dbraw/zinc/42/22/51/1070422251.db2.gz HDHVAPNQDOGAFJ-FQEVSTJZSA-N 1 0 490.077 3.668 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCS2)C[C@H]1CC ZINC001314498737 1070424761 /nfs/dbraw/zinc/42/47/61/1070424761.db2.gz GAKQHVBGVZNKTL-MOPGFXCFSA-N 1 0 479.641 3.980 20 0 JHADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC001308718400 1070425244 /nfs/dbraw/zinc/42/52/44/1070425244.db2.gz AWZOYNBARYGAIK-NTKDMRAZSA-N 1 0 458.562 3.945 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCSC2(C)C)C[C@H]1CC ZINC001314499791 1070428687 /nfs/dbraw/zinc/42/86/87/1070428687.db2.gz OIGJXVHWDLVIJB-FCHUYYIVSA-N 1 0 472.703 3.733 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(Cl)s2)C[C@@H]1CC ZINC001314499484 1070428091 /nfs/dbraw/zinc/42/80/91/1070428091.db2.gz LFCKUDAAXOTSHX-IBGZPJMESA-N 1 0 475.062 3.964 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cc(C)on2)C[C@@H]1CC ZINC001314500026 1070429615 /nfs/dbraw/zinc/42/96/15/1070429615.db2.gz OZROVIHLFOCOHZ-QFIPXVFZSA-N 1 0 473.021 3.804 20 0 JHADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)s1 ZINC001308749519 1070430077 /nfs/dbraw/zinc/43/00/77/1070430077.db2.gz CHNBEVPANSBGGH-RBSFLKMASA-N 1 0 452.024 3.744 20 0 JHADRO CC(=O)N(c1nc(CN[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cs1)c1ccccc1 ZINC001308747035 1070430150 /nfs/dbraw/zinc/43/01/50/1070430150.db2.gz UMSGLBFSYVYQCJ-XUZZJYLKSA-N 1 0 450.608 3.800 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCCCC2)C[C@@H]1CC ZINC001314500317 1070430705 /nfs/dbraw/zinc/43/07/05/1070430705.db2.gz SHIIBGQCBLZOQJ-QHCPKHFHSA-N 1 0 473.637 3.640 20 0 JHADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC001308769958 1070435137 /nfs/dbraw/zinc/43/51/37/1070435137.db2.gz OGPLYFZPJRWBTC-UQHZHQPPSA-N 1 0 453.587 3.736 20 0 JHADRO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2c(OC)cc(OC)cc2OC)cc1Br ZINC001308774596 1070435720 /nfs/dbraw/zinc/43/57/20/1070435720.db2.gz VBCRZGBFRBSMCM-CYBMUJFWSA-N 1 0 452.345 3.982 20 0 JHADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3ccc(-n4cccn4)c(F)c3)CC2)cc1 ZINC001308778361 1070437158 /nfs/dbraw/zinc/43/71/58/1070437158.db2.gz GVDXBVNKZBCXRY-QGZVFWFLSA-N 1 0 458.559 3.524 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001313466302 1070437762 /nfs/dbraw/zinc/43/77/62/1070437762.db2.gz QFWZJGLWRVBTIY-YADHBBJMSA-N 1 0 470.637 3.625 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001314503537 1070440805 /nfs/dbraw/zinc/44/08/05/1070440805.db2.gz QJVHDODSUOUZAJ-NJYVYQBISA-N 1 0 458.651 3.662 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[N@H+](C)C(C)C)C1 ZINC001313467416 1070443327 /nfs/dbraw/zinc/44/33/27/1070443327.db2.gz QTEWKCPIAMSNIE-SFHVURJKSA-N 1 0 491.478 3.790 20 0 JHADRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC001308811334 1070442124 /nfs/dbraw/zinc/44/21/24/1070442124.db2.gz MIZPIVGUTMFUDD-XFIJJGBISA-N 1 0 459.587 3.816 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3C[N@@H+](C/C=C\c4cccc(F)c4)CC[C@@H]32)CC1 ZINC001308817418 1070442140 /nfs/dbraw/zinc/44/21/40/1070442140.db2.gz FMXPAHLFXYFYNC-AGCGBGRBSA-N 1 0 458.578 3.707 20 0 JHADRO CC(C)[C@H](C[NH2+]Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1)C(=O)OC(C)(C)C ZINC001308839741 1070445739 /nfs/dbraw/zinc/44/57/39/1070445739.db2.gz FTEDDDJEPBYYEQ-NRFANRHFSA-N 1 0 457.596 3.977 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC3CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001308851762 1070448363 /nfs/dbraw/zinc/44/83/63/1070448363.db2.gz MJRYHFNWGJXMSZ-AQNXPRMDSA-N 1 0 453.624 3.638 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](C)[NH+](C)C)C1 ZINC001314505761 1070449413 /nfs/dbraw/zinc/44/94/13/1070449413.db2.gz QORDZAKQJAEXEJ-QUCCMNQESA-N 1 0 461.676 3.857 20 0 JHADRO Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C2)cn1 ZINC001308907392 1070457675 /nfs/dbraw/zinc/45/76/75/1070457675.db2.gz WLMWEGAZHROKTN-QZTJIDSGSA-N 1 0 450.624 3.718 20 0 JHADRO CC(C)(C)OC(=O)CN1CCCC[C@H]([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1=O ZINC001308908926 1070458177 /nfs/dbraw/zinc/45/81/77/1070458177.db2.gz ALMVHTARUFKJOV-INIZCTEOSA-N 1 0 453.605 3.908 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001314508827 1070460272 /nfs/dbraw/zinc/46/02/72/1070460272.db2.gz IPWQDGNKFZQKQK-FQEVSTJZSA-N 1 0 484.670 3.587 20 0 JHADRO COc1cccc2c1CCC[C@@H]([NH2+]C[C@H]1CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O1)C2 ZINC001308946813 1070464601 /nfs/dbraw/zinc/46/46/01/1070464601.db2.gz XIAMNGOCZSXVBU-WOJBJXKFSA-N 1 0 458.599 3.865 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001313472365 1070465721 /nfs/dbraw/zinc/46/57/21/1070465721.db2.gz XMNFAPCCOYKICF-UHFFFAOYSA-N 1 0 470.637 3.949 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc43)n2CC[N@H+](CC)C(C)C)CC1 ZINC001313471459 1070462098 /nfs/dbraw/zinc/46/20/98/1070462098.db2.gz MJVVNDQJLZRVSR-UHFFFAOYSA-N 1 0 477.657 3.966 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001313471836 1070464352 /nfs/dbraw/zinc/46/43/52/1070464352.db2.gz RMRNPKUCAGHYEM-NRFANRHFSA-N 1 0 482.673 3.817 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001314511130 1070468448 /nfs/dbraw/zinc/46/84/48/1070468448.db2.gz JCEYXIFCJYLHJI-HXUWFJFHSA-N 1 0 493.743 3.989 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001313474510 1070472569 /nfs/dbraw/zinc/47/25/69/1070472569.db2.gz IXBKITHJBKNPRO-UHFFFAOYSA-N 1 0 470.637 3.625 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001314512255 1070473912 /nfs/dbraw/zinc/47/39/12/1070473912.db2.gz ZWTMHHMGEXZSGH-QFIPXVFZSA-N 1 0 487.714 3.731 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001314512254 1070473944 /nfs/dbraw/zinc/47/39/44/1070473944.db2.gz ZWTMHHMGEXZSGH-JOCHJYFZSA-N 1 0 487.714 3.731 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001313476107 1070479859 /nfs/dbraw/zinc/47/98/59/1070479859.db2.gz GQLCDJROEGFFPR-NRFANRHFSA-N 1 0 484.714 3.963 20 0 JHADRO CCCNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001313482643 1070496166 /nfs/dbraw/zinc/49/61/66/1070496166.db2.gz YVHJJFKSRIXYIB-QFIPXVFZSA-N 1 0 460.667 3.528 20 0 JHADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C)Cc1ccccc1 ZINC001309032776 1070497749 /nfs/dbraw/zinc/49/77/49/1070497749.db2.gz VGHANLZVHNTFOX-LJQANCHMSA-N 1 0 453.004 3.666 20 0 JHADRO CCCNC(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001313484253 1070499585 /nfs/dbraw/zinc/49/95/85/1070499585.db2.gz QLWFZWKXWACHQW-UHFFFAOYSA-N 1 0 452.647 3.548 20 0 JHADRO CCCNC(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001313484458 1070500368 /nfs/dbraw/zinc/50/03/68/1070500368.db2.gz QZUNYOICYAIKQL-JOCHJYFZSA-N 1 0 472.703 3.939 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001313488064 1070505837 /nfs/dbraw/zinc/50/58/37/1070505837.db2.gz ARWGUQYTXSSBRS-UHFFFAOYSA-N 1 0 452.647 3.833 20 0 JHADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCC1)c1c[nH]c2c1cccc2Br ZINC001309055390 1070511478 /nfs/dbraw/zinc/51/14/78/1070511478.db2.gz ACGKBOIODLODBN-UHFFFAOYSA-N 1 0 458.447 3.570 20 0 JHADRO CCCOc1ccc(-c2nnc(N(C)OC)n2CC[N@@H+]2CCc3sccc3C2)cc1OC ZINC001313500645 1070522411 /nfs/dbraw/zinc/52/24/11/1070522411.db2.gz JORJUASAWXZGPX-UHFFFAOYSA-N 1 0 457.600 3.860 20 0 JHADRO CC(C)(C)C(=O)c1ccc(S(=O)(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001309074457 1070524032 /nfs/dbraw/zinc/52/40/32/1070524032.db2.gz PVCMBFMLNHFXKY-UHFFFAOYSA-N 1 0 457.640 3.796 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001313501406 1070525167 /nfs/dbraw/zinc/52/51/67/1070525167.db2.gz DXJGDOBRSIANMY-RTWAWAEBSA-N 1 0 498.672 3.530 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CC(C)(C)C(=O)NCC)cc1OC ZINC001313502016 1070526996 /nfs/dbraw/zinc/52/69/96/1070526996.db2.gz IKBMCBLRAYIFNO-CTNGQTDRSA-N 1 0 498.672 3.578 20 0 JHADRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C2(C(=O)OC)CC2)cc1 ZINC001309089014 1070532360 /nfs/dbraw/zinc/53/23/60/1070532360.db2.gz YVNRDSSFAJVTDB-UGKGYDQZSA-N 1 0 456.608 3.737 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001309091054 1070534292 /nfs/dbraw/zinc/53/42/92/1070534292.db2.gz QCTRCASEGNYNHV-UXHICEINSA-N 1 0 455.393 3.838 20 0 JHADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1ccc(C2(C(=O)OC)CC2)cc1 ZINC001309091373 1070534961 /nfs/dbraw/zinc/53/49/61/1070534961.db2.gz OPYUVPCKBOFKTJ-UHFFFAOYSA-N 1 0 450.645 3.991 20 0 JHADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1cc(COC)cc(C(=O)OC)c1 ZINC001309092069 1070535486 /nfs/dbraw/zinc/53/54/86/1070535486.db2.gz XOGUBLKHLFUOFM-UHFFFAOYSA-N 1 0 454.633 3.720 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC001313504604 1070539388 /nfs/dbraw/zinc/53/93/88/1070539388.db2.gz NNTSAIXOAIIBOH-IIBYNOLFSA-N 1 0 497.562 3.993 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCO[C@@H](c4nccs4)C3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001313505783 1070545074 /nfs/dbraw/zinc/54/50/74/1070545074.db2.gz RTSKJIPUQPNDLN-DYESRHJHSA-N 1 0 486.642 3.727 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2cnn(C)c2)cc1OC ZINC001313506413 1070548372 /nfs/dbraw/zinc/54/83/72/1070548372.db2.gz QAVYEWSUBPGXDP-UHFFFAOYSA-N 1 0 481.645 3.835 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NS(=O)(=O)c2cc(C)cc3cccnc32)CC1 ZINC001309116107 1070548667 /nfs/dbraw/zinc/54/86/67/1070548667.db2.gz TXLRXSFEGOTQJP-SFHVURJKSA-N 1 0 456.587 3.864 20 0 JHADRO CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001313510707 1070560504 /nfs/dbraw/zinc/56/05/04/1070560504.db2.gz BHDAVZWAWMFTJK-UHFFFAOYSA-N 1 0 482.673 3.796 20 0 JHADRO CCCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC001313512014 1070563766 /nfs/dbraw/zinc/56/37/66/1070563766.db2.gz XBOIUWKRGXNDKB-IRLDBZIGSA-N 1 0 456.635 3.572 20 0 JHADRO CC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)ccc1Br ZINC001309156203 1070573375 /nfs/dbraw/zinc/57/33/75/1070573375.db2.gz IJMMFSGDIOIJMS-KRWDZBQOSA-N 1 0 457.434 3.975 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCOCC3)n2CC[N@@H+]2CCCC[C@H]2CC)cc1OC ZINC001313515916 1070575126 /nfs/dbraw/zinc/57/51/26/1070575126.db2.gz ZIVAOMPJGFAAEX-OAQYLSRUSA-N 1 0 457.619 3.844 20 0 JHADRO CC[S@@](=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001314569967 1070575994 /nfs/dbraw/zinc/57/59/94/1070575994.db2.gz RFVXHPRIKIPLID-WJOKGBTCSA-N 1 0 464.079 3.746 20 0 JHADRO CC[S@](=O)CCn1c(CCCc2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001314573553 1070580456 /nfs/dbraw/zinc/58/04/56/1070580456.db2.gz MJWYJOSNISPSLE-YTTGMZPUSA-N 1 0 457.688 3.677 20 0 JHADRO CC[S@](=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001314573980 1070580879 /nfs/dbraw/zinc/58/08/79/1070580879.db2.gz YIZUBKOUCXVAII-PMERELPUSA-N 1 0 498.466 3.680 20 0 JHADRO CC[S@@](=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001314574846 1070581981 /nfs/dbraw/zinc/58/19/81/1070581981.db2.gz AZAWISXXIDBFLI-MGBGTMOVSA-N 1 0 473.687 3.697 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+](C)C)n1 ZINC001314577350 1070586716 /nfs/dbraw/zinc/58/67/16/1070586716.db2.gz PDDHSHQDNUWNTC-UONOGXRCSA-N 1 0 465.027 3.777 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(C)n2CC2(C[NH+]3CCOCC3)CCCCC2)n1 ZINC001314577584 1070586989 /nfs/dbraw/zinc/58/69/89/1070586989.db2.gz QPRIIDFSDNNPKR-GOSISDBHSA-N 1 0 477.679 3.703 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)n1 ZINC001314577575 1070587057 /nfs/dbraw/zinc/58/70/57/1070587057.db2.gz QJPULDLAUVJRRD-QGZVFWFLSA-N 1 0 477.679 3.844 20 0 JHADRO CC[S@@](=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001314580101 1070591304 /nfs/dbraw/zinc/59/13/04/1070591304.db2.gz QZIBKRRPLIIBHU-XSJBNIOMSA-N 1 0 487.714 3.988 20 0 JHADRO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(=O)(=O)c1cc(C(=O)OC)n(C)c1 ZINC001309215097 1070613722 /nfs/dbraw/zinc/61/37/22/1070613722.db2.gz FSTMUPTYKUKOED-CTXDPNEZSA-N 1 0 453.649 3.644 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001314588897 1070614039 /nfs/dbraw/zinc/61/40/39/1070614039.db2.gz NFQBTHUITDWFMV-FGZHOGPDSA-N 1 0 488.677 3.896 20 0 JHADRO CCCOCc1ccccc1Cn1c(C(C)C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001313531406 1070614859 /nfs/dbraw/zinc/61/48/59/1070614859.db2.gz OVPPDVWRKYXAIA-UHFFFAOYSA-N 1 0 465.646 3.822 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001314590428 1070619127 /nfs/dbraw/zinc/61/91/27/1070619127.db2.gz XVBGPLNSWJYEOW-XUVXKRRUSA-N 1 0 474.675 3.957 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001314594634 1070631870 /nfs/dbraw/zinc/63/18/70/1070631870.db2.gz APWVXSPHVMMYDH-HSZRJFAPSA-N 1 0 483.686 3.779 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C)n3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001314596133 1070637236 /nfs/dbraw/zinc/63/72/36/1070637236.db2.gz OBKJPQUAKDVTID-HXUWFJFHSA-N 1 0 458.676 3.871 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001313544383 1070644046 /nfs/dbraw/zinc/64/40/46/1070644046.db2.gz UDFGGXSISVYUAF-VQTJNVASSA-N 1 0 456.635 3.943 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)Cc1cccc(F)c1Br ZINC001309247766 1070643150 /nfs/dbraw/zinc/64/31/50/1070643150.db2.gz BSSUKTUDECFAIK-BEFAXECRSA-N 1 0 455.393 3.918 20 0 JHADRO O=S(=O)(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)c1c[nH]nc1C(F)(F)F ZINC001309259776 1070651679 /nfs/dbraw/zinc/65/16/79/1070651679.db2.gz RJILOOGRICSDBM-UHFFFAOYSA-N 1 0 452.502 3.799 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001314602530 1070656464 /nfs/dbraw/zinc/65/64/64/1070656464.db2.gz ZZIYTIRUVZFLML-CTNGQTDRSA-N 1 0 491.727 3.802 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313549687 1070665521 /nfs/dbraw/zinc/66/55/21/1070665521.db2.gz FLSVBDKBMWJWLC-UHFFFAOYSA-N 1 0 453.418 3.651 20 0 JHADRO CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001313562917 1070680071 /nfs/dbraw/zinc/68/00/71/1070680071.db2.gz XLGTUROPHVLQJB-UHFFFAOYSA-N 1 0 468.005 3.629 20 0 JHADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)C1 ZINC001309297087 1070679321 /nfs/dbraw/zinc/67/93/21/1070679321.db2.gz NRPPWHQVHKSFIA-ZBFHGGJFSA-N 1 0 456.431 3.677 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cccnc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC001313572099 1070685955 /nfs/dbraw/zinc/68/59/55/1070685955.db2.gz JYXIJMCKHOASKY-IBGZPJMESA-N 1 0 487.574 3.913 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CCN2CCOC(C)(C)C2)c1 ZINC001313573146 1070687422 /nfs/dbraw/zinc/68/74/22/1070687422.db2.gz RLJWYFFSAWKGRD-UHFFFAOYSA-N 1 0 491.684 3.696 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC001313573326 1070687513 /nfs/dbraw/zinc/68/75/13/1070687513.db2.gz FDAXGBTWWUGZMY-WIYYLYMNSA-N 1 0 480.579 3.702 20 0 JHADRO CCCOc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1C(C)(C)C ZINC001309308837 1070688205 /nfs/dbraw/zinc/68/82/05/1070688205.db2.gz HSEVDFMCUHJMFM-VXKWHMMOSA-N 1 0 452.661 3.819 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](COC)O[C@@H](C)C2)c1 ZINC001313574729 1070689840 /nfs/dbraw/zinc/68/98/40/1070689840.db2.gz LOYKMNCZVJOTRJ-BPUWIUIQSA-N 1 0 499.700 3.937 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC001313570084 1070683810 /nfs/dbraw/zinc/68/38/10/1070683810.db2.gz XNSMCWWHKDEQLB-CVDCTZTESA-N 1 0 496.681 3.944 20 0 JHADRO CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313570354 1070684552 /nfs/dbraw/zinc/68/45/52/1070684552.db2.gz XVFGVUGTOQFDQQ-IAGOWNOFSA-N 1 0 480.451 3.964 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)[C@@H](C)C2)c1 ZINC001313575530 1070691378 /nfs/dbraw/zinc/69/13/78/1070691378.db2.gz PZACPKISCYRGOV-OALUTQOASA-N 1 0 466.655 3.862 20 0 JHADRO CCN1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(C[N@H+](C)CC)c2)CC1=O ZINC001313576237 1070692624 /nfs/dbraw/zinc/69/26/24/1070692624.db2.gz WZPLGLQFVGCXAY-ILBGXUMGSA-N 1 0 496.700 3.755 20 0 JHADRO C[C@@H]1C[C@H](CCNS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)C[N@@H+]1Cc1ccccc1 ZINC001309320792 1070696652 /nfs/dbraw/zinc/69/66/52/1070696652.db2.gz CMVMRSZLQFNLJA-QUCCMNQESA-N 1 0 455.624 3.885 20 0 JHADRO Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1Cl ZINC001309323810 1070699309 /nfs/dbraw/zinc/69/93/09/1070699309.db2.gz YZYZONDVPMAHJU-IEBWSBKVSA-N 1 0 457.423 3.772 20 0 JHADRO O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001309340591 1070710012 /nfs/dbraw/zinc/71/00/12/1070710012.db2.gz PFFOXZKCENJUJM-UHFFFAOYSA-N 1 0 454.942 3.872 20 0 JHADRO CCN(c1nnc(-c2ccc(Br)cc2)n1CC1(O)CC[NH+](C(C)C)CC1)C1CC1 ZINC001313585564 1070710565 /nfs/dbraw/zinc/71/05/65/1070710565.db2.gz IQACXOGCVRUHMZ-UHFFFAOYSA-N 1 0 462.436 3.932 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001314624969 1070711023 /nfs/dbraw/zinc/71/10/23/1070711023.db2.gz KGTAONNFSSJZRW-IBGZPJMESA-N 1 0 474.675 3.860 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCC(c2nccs2)CC1 ZINC001314627577 1070720911 /nfs/dbraw/zinc/72/09/11/1070720911.db2.gz AMRACYVKISCHDC-FQEVSTJZSA-N 1 0 487.718 3.650 20 0 JHADRO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC001313604541 1070728215 /nfs/dbraw/zinc/72/82/15/1070728215.db2.gz NOXYWHZWRDSBAF-LJQANCHMSA-N 1 0 451.681 3.604 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N(Cc2ccccc2)C[C@H]2CCCO2)nnc1C(C)(C)C ZINC001314630022 1070729527 /nfs/dbraw/zinc/72/95/27/1070729527.db2.gz VBHPNKRENNUKEB-DNQXCXABSA-N 1 0 496.700 3.704 20 0 JHADRO CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313608544 1070732806 /nfs/dbraw/zinc/73/28/06/1070732806.db2.gz CFGVYGSVMZPQHF-SIKLNZKXSA-N 1 0 494.105 3.800 20 0 JHADRO CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C)C1CC1 ZINC001313616733 1070740655 /nfs/dbraw/zinc/74/06/55/1070740655.db2.gz BFZFWEJLLHTNAT-IBGZPJMESA-N 1 0 456.591 3.700 20 0 JHADRO CN(C)C(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001314637909 1070742430 /nfs/dbraw/zinc/74/24/30/1070742430.db2.gz XZRAABRFNSHBRQ-IBGZPJMESA-N 1 0 474.053 3.564 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccccc1 ZINC001314646318 1070746440 /nfs/dbraw/zinc/74/64/40/1070746440.db2.gz ACNYKRMPOZWUGX-HXUWFJFHSA-N 1 0 478.563 3.986 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(C)(C)C)C1)c1ccc(F)cc1 ZINC001314646755 1070747100 /nfs/dbraw/zinc/74/71/00/1070747100.db2.gz CNYQNBJQJVPUAF-PZJWPPBQSA-N 1 0 456.610 3.829 20 0 JHADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)C3CCC3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001314647532 1070750022 /nfs/dbraw/zinc/75/00/22/1070750022.db2.gz UEPWNVVUPXNIKN-OAQYLSRUSA-N 1 0 488.683 3.549 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314647690 1070750517 /nfs/dbraw/zinc/75/05/17/1070750517.db2.gz BVLXNYGYRUYQFN-PZJWPPBQSA-N 1 0 483.592 3.819 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001314647626 1070750771 /nfs/dbraw/zinc/75/07/71/1070750771.db2.gz BCUYALOIWWDDJK-NHCUHLMSSA-N 1 0 454.619 3.952 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCS(=O)CC1)c1cccs1 ZINC001314648103 1070752024 /nfs/dbraw/zinc/75/20/24/1070752024.db2.gz HRXSUIXNXQVTII-QGZVFWFLSA-N 1 0 494.484 3.641 20 0 JHADRO CCN(CC(C)C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001313624156 1070752874 /nfs/dbraw/zinc/75/28/74/1070752874.db2.gz KIRBUASSHCSZHD-UHFFFAOYSA-N 1 0 452.647 3.833 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC001314650072 1070758071 /nfs/dbraw/zinc/75/80/71/1070758071.db2.gz YTZNYZZKTVQJOS-TZIWHRDSSA-N 1 0 459.038 3.811 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1cccc(F)c1 ZINC001314648722 1070752948 /nfs/dbraw/zinc/75/29/48/1070752948.db2.gz ODSVITPSGNYRGS-FYYLOGMGSA-N 1 0 493.631 3.913 20 0 JHADRO CCN(CC(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001313624259 1070753006 /nfs/dbraw/zinc/75/30/06/1070753006.db2.gz NQACAMYXERISIS-HSZRJFAPSA-N 1 0 452.647 3.561 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1cccc(F)c1 ZINC001314648724 1070753029 /nfs/dbraw/zinc/75/30/29/1070753029.db2.gz ODSVITPSGNYRGS-GMAHTHKFSA-N 1 0 493.631 3.913 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314649316 1070754971 /nfs/dbraw/zinc/75/49/71/1070754971.db2.gz URAGADCQVKUXNP-FYYLOGMGSA-N 1 0 495.647 3.857 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)C1CCCCC1 ZINC001314649563 1070756066 /nfs/dbraw/zinc/75/60/66/1070756066.db2.gz WXIQOAMTGVQYMH-HXUWFJFHSA-N 1 0 497.585 3.873 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)c1ccco1 ZINC001314649601 1070756190 /nfs/dbraw/zinc/75/61/90/1070756190.db2.gz CMMBSAWOPYWGDB-QGZVFWFLSA-N 1 0 472.531 3.854 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314650651 1070759290 /nfs/dbraw/zinc/75/92/90/1070759290.db2.gz KUXYTMGTZYSODN-IPMKNSEASA-N 1 0 490.674 3.640 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccsc1 ZINC001314650595 1070759516 /nfs/dbraw/zinc/75/95/16/1070759516.db2.gz JVTHQPVAZFDFGX-UXHICEINSA-N 1 0 474.675 3.579 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314650934 1070760143 /nfs/dbraw/zinc/76/01/43/1070760143.db2.gz NISNXRDJQHKACX-FHWLQOOXSA-N 1 0 490.674 3.988 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1)C1CC1 ZINC001314651010 1070760240 /nfs/dbraw/zinc/76/02/40/1070760240.db2.gz VNNORYKUEJGNCE-RTBURBONSA-N 1 0 482.620 3.967 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCCCCCC1)c1ccco1 ZINC001314651374 1070761298 /nfs/dbraw/zinc/76/12/98/1070761298.db2.gz AWMZNONFJSOBFH-SFHVURJKSA-N 1 0 456.616 3.936 20 0 JHADRO CCN(CC(C)C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1c(C)nn(C)c1C ZINC001313632814 1070763110 /nfs/dbraw/zinc/76/31/10/1070763110.db2.gz GWSBFMMRJWGQNS-UHFFFAOYSA-N 1 0 478.689 3.524 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC001314653953 1070767027 /nfs/dbraw/zinc/76/70/27/1070767027.db2.gz SEIZUZPQKXVPHE-HXUWFJFHSA-N 1 0 452.647 3.819 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1C(C)(C)C)c1ccsc1 ZINC001314653836 1070767046 /nfs/dbraw/zinc/76/70/46/1070767046.db2.gz HPNLPEMLJRNUQE-NRFANRHFSA-N 1 0 480.682 3.964 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314653268 1070765411 /nfs/dbraw/zinc/76/54/11/1070765411.db2.gz LIINTNFZYGTSEW-GUDVDZBRSA-N 1 0 490.674 3.988 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccsc1 ZINC001314653866 1070767164 /nfs/dbraw/zinc/76/71/64/1070767164.db2.gz HXXMISZSDHPWTN-UZLBHIALSA-N 1 0 489.045 3.577 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(CC(F)(F)F)CC2)CCSC1 ZINC001314653547 1070765922 /nfs/dbraw/zinc/76/59/22/1070765922.db2.gz PTPMDKZPDFNYET-HXUWFJFHSA-N 1 0 489.011 3.720 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCC2(C)C)CCCCC1 ZINC001314653454 1070765989 /nfs/dbraw/zinc/76/59/89/1070765989.db2.gz OUIMVIKEDAHRRA-UHFFFAOYSA-N 1 0 459.660 3.992 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1)c1ccsc1 ZINC001314654382 1070768828 /nfs/dbraw/zinc/76/88/28/1070768828.db2.gz GMKQQNHVBNPOOB-OAQYLSRUSA-N 1 0 481.670 3.589 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC(N)=O)CC1)c1cccs1 ZINC001314654648 1070769494 /nfs/dbraw/zinc/76/94/94/1070769494.db2.gz VPDBBPDMNCZERP-WOIUINJBSA-N 1 0 488.702 3.653 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC001314654868 1070770839 /nfs/dbraw/zinc/77/08/39/1070770839.db2.gz ILAQRHSRIRMKCE-PKTZIBPZSA-N 1 0 460.711 3.678 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001314654945 1070770995 /nfs/dbraw/zinc/77/09/95/1070770995.db2.gz YFKUMHVHQSHXRQ-QFIPXVFZSA-N 1 0 496.631 3.892 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)C1CCCCC1 ZINC001314655236 1070771694 /nfs/dbraw/zinc/77/16/94/1070771694.db2.gz NPKNFZSACVZANT-SQJMNOBHSA-N 1 0 489.064 3.723 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC001314655229 1070771712 /nfs/dbraw/zinc/77/17/12/1070771712.db2.gz KPODBKCMRCKETK-IFMALSPDSA-N 1 0 473.065 3.735 20 0 JHADRO CCN(CC)C(=O)c1ccc(Cn2c(Cc3ccncc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC001313636466 1070773016 /nfs/dbraw/zinc/77/30/16/1070773016.db2.gz KSJWUCSTZXDZRB-FGZHOGPDSA-N 1 0 489.668 3.713 20 0 JHADRO C[NH+](C)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCCCC1 ZINC001314656455 1070775094 /nfs/dbraw/zinc/77/50/94/1070775094.db2.gz LMMSIHHJIPRDQK-NHCUHLMSSA-N 1 0 490.693 3.930 20 0 JHADRO C[NH+](C)C1(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CCCC1 ZINC001314657421 1070776728 /nfs/dbraw/zinc/77/67/28/1070776728.db2.gz CAQNITKCUQSKAV-IBGZPJMESA-N 1 0 467.536 3.542 20 0 JHADRO Cn1cc(Nc2nnc(COc3ccc(Br)cc3)n2CC2([NH+](C)C)CCC2)cn1 ZINC001314657867 1070777831 /nfs/dbraw/zinc/77/78/31/1070777831.db2.gz INJUILYONSDGOR-UHFFFAOYSA-N 1 0 460.380 3.581 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCCOCC2)CCSC1 ZINC001314658025 1070778448 /nfs/dbraw/zinc/77/84/48/1070778448.db2.gz OHWHGXGCMSDLCI-RUZDIDTESA-N 1 0 473.687 3.819 20 0 JHADRO C[NH+](C)C1(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(CCO)Cc2ccccc2)CCC1 ZINC001314658344 1070779379 /nfs/dbraw/zinc/77/93/79/1070779379.db2.gz ZAEDBRRBGHKTAB-SZPZYZBQSA-N 1 0 498.672 3.532 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CCCC1 ZINC001314658367 1070779396 /nfs/dbraw/zinc/77/93/96/1070779396.db2.gz ABWWTEMVQJZCEJ-UHFFFAOYSA-N 1 0 470.637 3.577 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001313639924 1070783435 /nfs/dbraw/zinc/78/34/35/1070783435.db2.gz MDUASXSETNDXLT-QFIPXVFZSA-N 1 0 469.678 3.633 20 0 JHADRO CN(CCc1ccc(Cl)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C[NH+](C)C ZINC001314662798 1070789993 /nfs/dbraw/zinc/78/99/93/1070789993.db2.gz IWGYRCYOJXNSDJ-UHFFFAOYSA-N 1 0 470.021 3.846 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001314662824 1070790080 /nfs/dbraw/zinc/79/00/80/1070790080.db2.gz JIHXVNUWEMKBGB-KDOFPFPSSA-N 1 0 465.429 3.555 20 0 JHADRO C[C@@H]1CSC[C@H]1NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309486739 1070801005 /nfs/dbraw/zinc/80/10/05/1070801005.db2.gz WGTAZBHLOSBVRC-IDZYALCFSA-N 1 0 451.057 3.979 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001314667359 1070801126 /nfs/dbraw/zinc/80/11/26/1070801126.db2.gz LLYJSHBDBZNSOG-GBXCKJPGSA-N 1 0 495.590 3.812 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CC(C)(C)C[NH+](C)C ZINC001314665209 1070796665 /nfs/dbraw/zinc/79/66/65/1070796665.db2.gz LXIJVXYIAHBRQW-FPOVZHCZSA-N 1 0 485.677 3.707 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)C[NH+](C)C ZINC001314665605 1070797661 /nfs/dbraw/zinc/79/76/61/1070797661.db2.gz FICXRMKKPXBYKR-UHFFFAOYSA-N 1 0 468.646 3.704 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001314665639 1070797782 /nfs/dbraw/zinc/79/77/82/1070797782.db2.gz GUENDGJKBHMVIJ-ZWKOTPCHSA-N 1 0 498.411 3.866 20 0 JHADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC001309486523 1070801474 /nfs/dbraw/zinc/80/14/74/1070801474.db2.gz RZZVAMGTLJYRHQ-OAQYLSRUSA-N 1 0 450.004 3.828 20 0 JHADRO Cn1nccc1[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314666395 1070799071 /nfs/dbraw/zinc/79/90/71/1070799071.db2.gz QHLXAZQIGSEMBY-NRFANRHFSA-N 1 0 465.646 3.605 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001314666962 1070800017 /nfs/dbraw/zinc/80/00/17/1070800017.db2.gz CPEJXYVHYWQVRH-JOCHJYFZSA-N 1 0 498.672 3.980 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001314666944 1070800488 /nfs/dbraw/zinc/80/04/88/1070800488.db2.gz CABLJSXQISXNMH-UHFFFAOYSA-N 1 0 491.640 3.944 20 0 JHADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001309488286 1070802920 /nfs/dbraw/zinc/80/29/20/1070802920.db2.gz HQAOEECELWXBRK-UHFFFAOYSA-N 1 0 450.048 3.902 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC001314668014 1070803170 /nfs/dbraw/zinc/80/31/70/1070803170.db2.gz YDFNXKCGVGOLSB-UHFFFAOYSA-N 1 0 484.586 3.999 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(N3CCOC[C@@H](C4CCC4)C3)nnc2C(C)(C)C)c1 ZINC001314668250 1070804147 /nfs/dbraw/zinc/80/41/47/1070804147.db2.gz BUCMVJYHIBEYGF-QFIPXVFZSA-N 1 0 455.647 3.817 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(CC(F)(F)F)CC2)c1 ZINC001314668525 1070804428 /nfs/dbraw/zinc/80/44/28/1070804428.db2.gz JJNDVAFRRJCKMH-FQEVSTJZSA-N 1 0 481.563 3.940 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(N3CCCN(c4ncccc4F)CC3)nnc2C(C)(C)C)c1 ZINC001314668489 1070804873 /nfs/dbraw/zinc/80/48/73/1070804873.db2.gz IHRVNSYNZIQIQV-UHFFFAOYSA-N 1 0 495.647 3.815 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC=C(Br)C2)c1 ZINC001314668718 1070805438 /nfs/dbraw/zinc/80/54/38/1070805438.db2.gz MKNMMYGBWVISFC-NRFANRHFSA-N 1 0 490.446 3.997 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001314669036 1070806684 /nfs/dbraw/zinc/80/66/84/1070806684.db2.gz XPMCGNPBCJONBB-UHFFFAOYSA-N 1 0 477.028 3.888 20 0 JHADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001309491741 1070806933 /nfs/dbraw/zinc/80/69/33/1070806933.db2.gz MHFFYAQZORDAMR-IBGZPJMESA-N 1 0 450.567 3.729 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314669098 1070806962 /nfs/dbraw/zinc/80/69/62/1070806962.db2.gz YAMUWMBFYZSHGS-WOJBJXKFSA-N 1 0 478.682 3.596 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c([C@H]3CCCCO3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001314669773 1070809514 /nfs/dbraw/zinc/80/95/14/1070809514.db2.gz LBHNLQNTRPEAMM-HXUWFJFHSA-N 1 0 471.477 3.693 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccccc3Cl)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001314669470 1070808496 /nfs/dbraw/zinc/80/84/96/1070808496.db2.gz HCRQHKHLFGXNHN-LJQANCHMSA-N 1 0 463.095 3.814 20 0 JHADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001313647097 1070810687 /nfs/dbraw/zinc/81/06/87/1070810687.db2.gz KPHBGRUFWVQLQQ-UHFFFAOYSA-N 1 0 497.732 3.573 20 0 JHADRO CN(Cc1ccccn1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001314670200 1070811366 /nfs/dbraw/zinc/81/13/66/1070811366.db2.gz DOXGEZQFNGCPAN-QHCPKHFHSA-N 1 0 450.587 3.540 20 0 JHADRO CN(Cc1cccs1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCC[NH+](C)C ZINC001314672457 1070817545 /nfs/dbraw/zinc/81/75/45/1070817545.db2.gz QCQDNABGUJATJF-IBGZPJMESA-N 1 0 478.663 3.626 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@]2(CCSC2)C1 ZINC001314670787 1070813002 /nfs/dbraw/zinc/81/30/02/1070813002.db2.gz OEAGAEGPLKERFB-NRFANRHFSA-N 1 0 454.015 3.649 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(Cn3cccn3)CC2)cc1 ZINC001314672860 1070818098 /nfs/dbraw/zinc/81/80/98/1070818098.db2.gz WSPQWKKEBFNRLV-UHFFFAOYSA-N 1 0 479.673 3.969 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC001314672889 1070818240 /nfs/dbraw/zinc/81/82/40/1070818240.db2.gz XQBLSWQJRPYYSL-IBGZPJMESA-N 1 0 451.537 3.998 20 0 JHADRO CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CC[N@H+](Cc4ccccc4)C[C@H](C)C3)cc21 ZINC001309505332 1070815931 /nfs/dbraw/zinc/81/59/31/1070815931.db2.gz GBWUHRXJWOQXHV-PMACEKPBSA-N 1 0 455.624 3.689 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](C(C)(C)C)C2)cc1 ZINC001314672089 1070816469 /nfs/dbraw/zinc/81/64/69/1070816469.db2.gz POMRNYSMUWNXIA-FGZHOGPDSA-N 1 0 455.647 3.838 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccccc2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001314672043 1070816785 /nfs/dbraw/zinc/81/67/85/1070816785.db2.gz WLICIRBXTFAUII-IBGZPJMESA-N 1 0 477.535 3.580 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCSC3(CCOCC3)C2)cc1 ZINC001314672863 1070818456 /nfs/dbraw/zinc/81/84/56/1070818456.db2.gz WUTCUQALEZJVCW-UHFFFAOYSA-N 1 0 487.714 3.958 20 0 JHADRO C[NH+](C)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2nccs2)CC1 ZINC001314673127 1070818926 /nfs/dbraw/zinc/81/89/26/1070818926.db2.gz XRPIAGKTHOTYJF-WOJBJXKFSA-N 1 0 476.691 3.615 20 0 JHADRO CN(CC1CCCCC1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCC[NH+](C)C ZINC001314673509 1070819188 /nfs/dbraw/zinc/81/91/88/1070819188.db2.gz QOKNNBGJHFBCAM-JOCHJYFZSA-N 1 0 492.709 3.987 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@@H]2CCCCO2)n1CCOCC[NH+](C)C ZINC001314673561 1070819678 /nfs/dbraw/zinc/81/96/78/1070819678.db2.gz SIYITGSGDZMROR-INIZCTEOSA-N 1 0 472.453 3.558 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001313649862 1070819928 /nfs/dbraw/zinc/81/99/28/1070819928.db2.gz AOZILWMHPQASAS-QHCPKHFHSA-N 1 0 493.656 3.657 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001313651849 1070828221 /nfs/dbraw/zinc/82/82/21/1070828221.db2.gz BLOLZBVMQUSLEZ-NRFANRHFSA-N 1 0 496.685 3.597 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001313653376 1070832584 /nfs/dbraw/zinc/83/25/84/1070832584.db2.gz BYXTWQTVWOXRMR-JOCHJYFZSA-N 1 0 469.678 3.896 20 0 JHADRO CN(c1nnc(-c2ccccc2)n1C[C@H]1CCC[N@@H+]1CCCO)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314682164 1070835628 /nfs/dbraw/zinc/83/56/28/1070835628.db2.gz MWTWMZDPXOREPR-HSZRJFAPSA-N 1 0 498.672 3.628 20 0 JHADRO CN(c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001314682027 1070835739 /nfs/dbraw/zinc/83/57/39/1070835739.db2.gz KUMIBMJWDJMNKJ-QGZVFWFLSA-N 1 0 484.041 3.625 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+](C)C(C)C)CC1 ZINC001313655133 1070843103 /nfs/dbraw/zinc/84/31/03/1070843103.db2.gz XIKOURZTSGMRMY-UHFFFAOYSA-N 1 0 462.042 3.523 20 0 JHADRO CN(c1nnc(-c2cccnc2)n1CCNC(=O)C(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314685949 1070843321 /nfs/dbraw/zinc/84/33/21/1070843321.db2.gz YUXHRUIQRDVDRK-UHFFFAOYSA-N 1 0 475.641 3.603 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001313655786 1070846412 /nfs/dbraw/zinc/84/64/12/1070846412.db2.gz XWPMSQIIBUCQEV-NRFANRHFSA-N 1 0 481.689 3.944 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1CC1(O)CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314694054 1070855122 /nfs/dbraw/zinc/85/51/22/1070855122.db2.gz LFTGELOGDTUYDT-QFIPXVFZSA-N 1 0 455.647 3.509 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001313656102 1070848803 /nfs/dbraw/zinc/84/88/03/1070848803.db2.gz DUFGRBYSTQCMIO-KRWDZBQOSA-N 1 0 459.038 3.824 20 0 JHADRO CN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCC1)C1CCCCC1 ZINC001314693434 1070853759 /nfs/dbraw/zinc/85/37/59/1070853759.db2.gz XUEJNTVHLOBBAS-HXUWFJFHSA-N 1 0 476.666 3.840 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001313657062 1070854000 /nfs/dbraw/zinc/85/40/00/1070854000.db2.gz IOCJBMPIIRALKS-QWFCFKBJSA-N 1 0 493.743 3.875 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001313657002 1070854149 /nfs/dbraw/zinc/85/41/49/1070854149.db2.gz NKQIHGCXECMHKP-HXUWFJFHSA-N 1 0 481.620 3.935 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001313657055 1070854175 /nfs/dbraw/zinc/85/41/75/1070854175.db2.gz IGYLAEDZHQYAII-SPLOXXLWSA-N 1 0 497.869 3.793 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001313657669 1070856209 /nfs/dbraw/zinc/85/62/09/1070856209.db2.gz NIMNXFRUWDUZKD-WBVHZDCISA-N 1 0 488.485 3.996 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001313659845 1070863584 /nfs/dbraw/zinc/86/35/84/1070863584.db2.gz LROHNMPYQGEAEM-GHTZIAJQSA-N 1 0 483.617 3.768 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1CCCNC(=O)C1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314694741 1070857071 /nfs/dbraw/zinc/85/70/71/1070857071.db2.gz UZUHHSXBDJODDR-HSZRJFAPSA-N 1 0 466.674 3.884 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001313658422 1070859042 /nfs/dbraw/zinc/85/90/42/1070859042.db2.gz DNQBQLLHSRCRQO-LJQANCHMSA-N 1 0 464.614 3.693 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 ZINC001313658360 1070859222 /nfs/dbraw/zinc/85/92/22/1070859222.db2.gz CRQHUDRPEUUDEL-FQEVSTJZSA-N 1 0 481.620 3.540 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001313658502 1070859946 /nfs/dbraw/zinc/85/99/46/1070859946.db2.gz ASNWYKYMWODVDU-SIKLNZKXSA-N 1 0 450.635 3.800 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313660582 1070866405 /nfs/dbraw/zinc/86/64/05/1070866405.db2.gz SYYFUMNNOXOGBM-HSALFYBXSA-N 1 0 473.666 3.753 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313661311 1070867550 /nfs/dbraw/zinc/86/75/50/1070867550.db2.gz DLPQCYREVVYVCX-NJYVYQBISA-N 1 0 467.662 3.702 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313661628 1070868767 /nfs/dbraw/zinc/86/87/67/1070868767.db2.gz GFBKLRHIBONCQG-VQTJNVASSA-N 1 0 471.650 3.872 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2OC)CC1 ZINC001313662325 1070870290 /nfs/dbraw/zinc/87/02/90/1070870290.db2.gz RTZZLSQZAGPZEP-NRFANRHFSA-N 1 0 463.630 3.714 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314704793 1070873490 /nfs/dbraw/zinc/87/34/90/1070873490.db2.gz RKWDGIDJEYRMOC-NRFANRHFSA-N 1 0 490.612 3.582 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001313663745 1070873750 /nfs/dbraw/zinc/87/37/50/1070873750.db2.gz HHDIHIJOZDYOEB-VWPQPMDRSA-N 1 0 477.613 3.622 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001313663744 1070873897 /nfs/dbraw/zinc/87/38/97/1070873897.db2.gz HHDIHIJOZDYOEB-RZUBCFFCSA-N 1 0 477.613 3.622 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1)c1ccsc1 ZINC001313663939 1070875185 /nfs/dbraw/zinc/87/51/85/1070875185.db2.gz ISHGSBZZVJWRGT-VQTJNVASSA-N 1 0 471.627 3.802 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001313663918 1070875285 /nfs/dbraw/zinc/87/52/85/1070875285.db2.gz LGVNOSDMRHPLDZ-KNQAVFIVSA-N 1 0 471.646 3.525 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001313663919 1070875312 /nfs/dbraw/zinc/87/53/12/1070875312.db2.gz LGVNOSDMRHPLDZ-SIKLNZKXSA-N 1 0 471.646 3.525 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001313664297 1070876023 /nfs/dbraw/zinc/87/60/23/1070876023.db2.gz AFHDCRHBWZESNU-WMZOPIPTSA-N 1 0 480.629 3.872 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313664936 1070878585 /nfs/dbraw/zinc/87/85/85/1070878585.db2.gz AZKLAHAGAMXSOK-CIAFKFPVSA-N 1 0 476.710 3.668 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314707938 1070879380 /nfs/dbraw/zinc/87/93/80/1070879380.db2.gz BPLLPOMKDHRMBT-UHFFFAOYSA-N 1 0 479.673 3.966 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001313665443 1070880111 /nfs/dbraw/zinc/88/01/11/1070880111.db2.gz CHGBDZAVNHMWKQ-XLIONFOSSA-N 1 0 474.606 3.761 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001313665995 1070882648 /nfs/dbraw/zinc/88/26/48/1070882648.db2.gz GEKDSMWMDMTKLY-QGZVFWFLSA-N 1 0 455.006 3.916 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001313666564 1070884507 /nfs/dbraw/zinc/88/45/07/1070884507.db2.gz HAVBWMMITNHMGM-TZIWHRDSSA-N 1 0 459.610 3.979 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)c1ccco1 ZINC001313666780 1070884657 /nfs/dbraw/zinc/88/46/57/1070884657.db2.gz XPXRPLQILBMCBJ-RTWAWAEBSA-N 1 0 469.565 3.802 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001313666735 1070885450 /nfs/dbraw/zinc/88/54/50/1070885450.db2.gz ISBOULXSUDWCRL-UYAOXDASSA-N 1 0 464.655 3.553 20 0 JHADRO CN(CC(C)(C)C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001314710228 1070888260 /nfs/dbraw/zinc/88/82/60/1070888260.db2.gz QPDOJCIYSFPUPU-UHFFFAOYSA-N 1 0 491.640 3.931 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001314711182 1070891402 /nfs/dbraw/zinc/89/14/02/1070891402.db2.gz XQLHCKQPOVZCLW-ZEQRLZLVSA-N 1 0 496.700 3.825 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001313668360 1070891359 /nfs/dbraw/zinc/89/13/59/1070891359.db2.gz PRVDRRDMYVJTOI-MJGOQNOKSA-N 1 0 464.705 3.578 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001313668354 1070891393 /nfs/dbraw/zinc/89/13/93/1070891393.db2.gz PQCMZNUXOBTUHR-RBBKRZOGSA-N 1 0 482.673 3.696 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001313668159 1070891604 /nfs/dbraw/zinc/89/16/04/1070891604.db2.gz NLMRRYRZGPVBDS-PZJWPPBQSA-N 1 0 459.610 3.858 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313668301 1070891696 /nfs/dbraw/zinc/89/16/96/1070891696.db2.gz PYOIBFDWFVOXCX-GOSISDBHSA-N 1 0 476.616 3.572 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001313671218 1070899074 /nfs/dbraw/zinc/89/90/74/1070899074.db2.gz PAWPECTXEOXFRM-LJQANCHMSA-N 1 0 470.691 3.786 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001313671208 1070899090 /nfs/dbraw/zinc/89/90/90/1070899090.db2.gz OTNLJJLYMCBBFK-LJQANCHMSA-N 1 0 467.593 3.576 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001313668622 1070893033 /nfs/dbraw/zinc/89/30/33/1070893033.db2.gz RXGPUVRJLHIZFD-NCYKPQTJSA-N 1 0 476.666 3.696 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001313668991 1070893688 /nfs/dbraw/zinc/89/36/88/1070893688.db2.gz UNGSYDNQLSDBAR-OSFYOIPJSA-N 1 0 458.626 3.622 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 ZINC001313669061 1070893706 /nfs/dbraw/zinc/89/37/06/1070893706.db2.gz AKEWMXATQMXQMD-OSPHWJPCSA-N 1 0 472.634 3.601 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc([C@@H]2CCCCO2)n1CC[N@H+](C)C1CCCC1 ZINC001314712059 1070894738 /nfs/dbraw/zinc/89/47/38/1070894738.db2.gz PDJFBMNNGZYSAH-NRFANRHFSA-N 1 0 476.572 3.747 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313670448 1070897670 /nfs/dbraw/zinc/89/76/70/1070897670.db2.gz ZRJCOVYZMYYFBI-UZUQRXQVSA-N 1 0 479.094 3.917 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314713070 1070899822 /nfs/dbraw/zinc/89/98/22/1070899822.db2.gz CLWKGDPMLLIICU-QFIPXVFZSA-N 1 0 484.620 3.775 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)c1ccco1 ZINC001313672042 1070901729 /nfs/dbraw/zinc/90/17/29/1070901729.db2.gz MGHICYCNPFAZBK-PKOBYXMFSA-N 1 0 493.534 3.959 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccccc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314714012 1070902308 /nfs/dbraw/zinc/90/23/08/1070902308.db2.gz POSWMNDGCYMWHO-QHCPKHFHSA-N 1 0 468.690 3.860 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1)c1ccccc1 ZINC001313672591 1070904005 /nfs/dbraw/zinc/90/40/05/1070904005.db2.gz GUFCDCHLEBEANP-JOCHJYFZSA-N 1 0 459.660 3.607 20 0 JHADRO CN(CC(F)(F)F)c1nnc(Cc2ccncc2)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001314718231 1070910143 /nfs/dbraw/zinc/91/01/43/1070910143.db2.gz PVPQYTMZZOECSP-UHFFFAOYSA-N 1 0 474.531 3.785 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOCC1)c1ccsc1 ZINC001313673713 1070908422 /nfs/dbraw/zinc/90/84/22/1070908422.db2.gz KXTLLFQAGKTIME-JOCHJYFZSA-N 1 0 471.627 3.944 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(CC(N)=O)CC1)c1ccco1 ZINC001313674163 1070910662 /nfs/dbraw/zinc/91/06/62/1070910662.db2.gz NFMFNQLZZJJYGO-NRFANRHFSA-N 1 0 450.587 3.713 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C)c1ccsc1 ZINC001313674432 1070912147 /nfs/dbraw/zinc/91/21/47/1070912147.db2.gz JGQAZONREJNGIV-OFNKIYASSA-N 1 0 496.681 3.977 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccsc1 ZINC001313674596 1070912839 /nfs/dbraw/zinc/91/28/39/1070912839.db2.gz PJKMQXGFJHMCAA-RXVVDRJESA-N 1 0 483.642 3.762 20 0 JHADRO CN(Cc1c(F)cccc1Cl)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314719820 1070913644 /nfs/dbraw/zinc/91/36/44/1070913644.db2.gz LVFHXXRZHQZTNG-LJQANCHMSA-N 1 0 471.968 3.695 20 0 JHADRO CN(CC(F)(F)F)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314720104 1070913971 /nfs/dbraw/zinc/91/39/71/1070913971.db2.gz PBPWCEZGVDAHBZ-UHFFFAOYSA-N 1 0 480.583 3.573 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccsc1 ZINC001313674939 1070914443 /nfs/dbraw/zinc/91/44/43/1070914443.db2.gz QIWFZGVECWWRKX-DENIHFKCSA-N 1 0 482.654 3.800 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(COC)CC1)c1ccccc1 ZINC001313675209 1070914809 /nfs/dbraw/zinc/91/48/09/1070914809.db2.gz YDDXFSITCCGURH-HSZRJFAPSA-N 1 0 451.619 3.625 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccco1 ZINC001313675196 1070915011 /nfs/dbraw/zinc/91/50/11/1070915011.db2.gz XWYNCSWDCOQQTA-UXHICEINSA-N 1 0 456.635 3.963 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccco1 ZINC001313676117 1070919761 /nfs/dbraw/zinc/91/97/61/1070919761.db2.gz CJAYDHGJUVTRMW-FQEVSTJZSA-N 1 0 472.634 3.964 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccsc1 ZINC001313675727 1070918160 /nfs/dbraw/zinc/91/81/60/1070918160.db2.gz AVGQGEDIJHEOKJ-PGRDOPGGSA-N 1 0 484.645 3.820 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313676762 1070922618 /nfs/dbraw/zinc/92/26/18/1070922618.db2.gz ZBFQJYXMKVCODI-HBMCJLEFSA-N 1 0 460.667 3.797 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 ZINC001313677856 1070927842 /nfs/dbraw/zinc/92/78/42/1070927842.db2.gz MOBITIZLDYOZQY-ZKMPZPQNSA-N 1 0 482.673 3.608 20 0 JHADRO CN(Cc1cc(F)cc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314724132 1070925279 /nfs/dbraw/zinc/92/52/79/1070925279.db2.gz UGUZPGYBCBWOQH-IBGZPJMESA-N 1 0 495.640 3.749 20 0 JHADRO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[N@H+](CC)[C@H](C)C2)cn1 ZINC001313677571 1070925938 /nfs/dbraw/zinc/92/59/38/1070925938.db2.gz UNPMOCMCCCTKLC-HXUWFJFHSA-N 1 0 493.656 3.782 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314725478 1070929903 /nfs/dbraw/zinc/92/99/03/1070929903.db2.gz MTONRYWUVXBXGU-HOCLYGCPSA-N 1 0 464.364 3.670 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1)c1ccccc1 ZINC001313680236 1070938397 /nfs/dbraw/zinc/93/83/97/1070938397.db2.gz SHRMBGWRSPXUPG-ATIYNZHBSA-N 1 0 455.647 3.946 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)c1ccco1 ZINC001313681741 1070941214 /nfs/dbraw/zinc/94/12/14/1070941214.db2.gz YSCHHQFIUHVVPX-UXHICEINSA-N 1 0 471.650 3.583 20 0 JHADRO CN(Cc1ccc(C(N)=O)cc1)c1nnc(Cc2ccsc2)n1CC[N@H+](C)C1CCCCC1 ZINC001314728364 1070941273 /nfs/dbraw/zinc/94/12/73/1070941273.db2.gz SBJMYJAZMWICMM-UHFFFAOYSA-N 1 0 466.655 3.930 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccsc1 ZINC001313681779 1070941917 /nfs/dbraw/zinc/94/19/17/1070941917.db2.gz ZSFCEQRHWIDCIE-UGKGYDQZSA-N 1 0 496.681 3.689 20 0 JHADRO CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001313685180 1070946200 /nfs/dbraw/zinc/94/62/00/1070946200.db2.gz ACEYBIATMIKAKE-MRXNPFEDSA-N 1 0 466.424 3.531 20 0 JHADRO CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001313686049 1070946895 /nfs/dbraw/zinc/94/68/95/1070946895.db2.gz CUKAMRJNPNRMCH-HXUWFJFHSA-N 1 0 465.646 3.889 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001313691693 1070952213 /nfs/dbraw/zinc/95/22/13/1070952213.db2.gz UIVMKQBBDAZDKE-UHFFFAOYSA-N 1 0 496.578 3.716 20 0 JHADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1Cl ZINC001309755440 1070955237 /nfs/dbraw/zinc/95/52/37/1070955237.db2.gz SPEUMMCORJYHIZ-RDJZCZTQSA-N 1 0 451.976 3.565 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(N(C)C)cc2)CC1 ZINC001313693657 1070955228 /nfs/dbraw/zinc/95/52/28/1070955228.db2.gz MXALTZFXLPZOOK-UHFFFAOYSA-N 1 0 461.658 3.883 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC001313693714 1070955238 /nfs/dbraw/zinc/95/52/38/1070955238.db2.gz FIFVJVJDUPRLGR-XIFFEERXSA-N 1 0 468.671 3.521 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(NC(C)=O)cc2)CC1 ZINC001313693815 1070955318 /nfs/dbraw/zinc/95/53/18/1070955318.db2.gz OPSIXZMVPSGXSO-UHFFFAOYSA-N 1 0 461.614 3.581 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C3CCC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001313694013 1070955879 /nfs/dbraw/zinc/95/58/79/1070955879.db2.gz BOFFLHOSYJOMJB-UHFFFAOYSA-N 1 0 455.594 3.687 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 ZINC001313694823 1070958014 /nfs/dbraw/zinc/95/80/14/1070958014.db2.gz CDTJXSOAMVMCAY-OAQYLSRUSA-N 1 0 468.646 3.601 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001313694936 1070958066 /nfs/dbraw/zinc/95/80/66/1070958066.db2.gz YATWXZBSCDWTBW-UHFFFAOYSA-N 1 0 462.642 3.850 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001313694929 1070958113 /nfs/dbraw/zinc/95/81/13/1070958113.db2.gz IWIJEJYNPUQSIO-UHFFFAOYSA-N 1 0 477.535 3.936 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](Cc2ccccc2)OC)CC1 ZINC001313695280 1070959364 /nfs/dbraw/zinc/95/93/64/1070959364.db2.gz ODPTYGMMUDYXRS-LADGPHEKSA-N 1 0 455.647 3.740 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccs2)CC1 ZINC001313695512 1070960080 /nfs/dbraw/zinc/96/00/80/1070960080.db2.gz ASGKHNFMERBRDJ-UHFFFAOYSA-N 1 0 464.437 3.851 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(NC(=O)OC)c2)CC1 ZINC001313695632 1070960654 /nfs/dbraw/zinc/96/06/54/1070960654.db2.gz PLCAXOWXRWGOAH-UHFFFAOYSA-N 1 0 463.586 3.877 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001313695696 1070960735 /nfs/dbraw/zinc/96/07/35/1070960735.db2.gz QWSDDMVCQFJRBO-JGCGQSQUSA-N 1 0 461.676 3.812 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3OC)n2CCCc2c[nH]nc2C)CC1 ZINC001313696336 1070962594 /nfs/dbraw/zinc/96/25/94/1070962594.db2.gz VBIIQEUJBCYPCI-UHFFFAOYSA-N 1 0 451.619 3.929 20 0 JHADRO CN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCC[NH+]1CCCCC1 ZINC001314736722 1070963153 /nfs/dbraw/zinc/96/31/53/1070963153.db2.gz LPUIZIJOPYUXBS-HXUWFJFHSA-N 1 0 495.640 3.751 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(Cl)s2)CC1 ZINC001313696744 1070964030 /nfs/dbraw/zinc/96/40/30/1070964030.db2.gz HRQQHKCSOVULPK-UHFFFAOYSA-N 1 0 465.067 3.669 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnccn3)n2Cc2cc(F)ccc2SC)CC1 ZINC001313697226 1070965794 /nfs/dbraw/zinc/96/57/94/1070965794.db2.gz WXQAWRLCAPQBED-UHFFFAOYSA-N 1 0 455.607 3.955 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)CCCCC1 ZINC001314737055 1070965960 /nfs/dbraw/zinc/96/59/60/1070965960.db2.gz JOSFSVYMOKYMNM-UMSFTDKQSA-N 1 0 480.682 3.902 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314737650 1070967632 /nfs/dbraw/zinc/96/76/32/1070967632.db2.gz OUIRUGGIGGGSJQ-NHOCJEJCSA-N 1 0 480.682 3.758 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)OC)CC1 ZINC001313697743 1070967704 /nfs/dbraw/zinc/96/77/04/1070967704.db2.gz SPRPWQFTSYSZQQ-QGZVFWFLSA-N 1 0 480.451 3.965 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314737869 1070967889 /nfs/dbraw/zinc/96/78/89/1070967889.db2.gz RMVBBPDJTVYTBO-JGCGQSQUSA-N 1 0 454.644 3.769 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001313697764 1070968374 /nfs/dbraw/zinc/96/83/74/1070968374.db2.gz UCHRZSVKQJGBIO-NDEPHWFRSA-N 1 0 496.700 3.944 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(N3CCCN(C(=O)C4CC4)CC3)nnc2C(C)(C)C)cc1 ZINC001313699930 1070975498 /nfs/dbraw/zinc/97/54/98/1070975498.db2.gz LKHGMSKKOSWMRN-UHFFFAOYSA-N 1 0 466.674 3.914 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001313698606 1070971081 /nfs/dbraw/zinc/97/10/81/1070971081.db2.gz AKAJWKPDHXJEKI-SFHVURJKSA-N 1 0 478.563 3.510 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001313699090 1070972549 /nfs/dbraw/zinc/97/25/49/1070972549.db2.gz HBJSGSNUZJEXHM-UHFFFAOYSA-N 1 0 495.697 3.738 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCN(CC(F)(F)F)CC2)c1 ZINC001313699335 1070973223 /nfs/dbraw/zinc/97/32/23/1070973223.db2.gz BHBVJOUJDISNKN-UHFFFAOYSA-N 1 0 475.563 3.848 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc(CC2CC2)n1CCCC[NH+]1CCOCC1 ZINC001314740481 1070975872 /nfs/dbraw/zinc/97/58/72/1070975872.db2.gz WXPCGJJUGFYIGO-UHFFFAOYSA-N 1 0 462.436 3.742 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C)CCCC2)CC1 ZINC001313699442 1070974025 /nfs/dbraw/zinc/97/40/25/1070974025.db2.gz YHBMCCZOWZWILO-FYYLOGMGSA-N 1 0 488.721 3.767 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2CCN(C(=O)c3cc(C)oc3C)CC2)c1 ZINC001313700153 1070976090 /nfs/dbraw/zinc/97/60/90/1070976090.db2.gz OOYBHMZPEVKQFZ-UHFFFAOYSA-N 1 0 464.614 3.649 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cscc2C)C1 ZINC001313701337 1070979964 /nfs/dbraw/zinc/97/99/64/1070979964.db2.gz FXYFZXOLMXVWLR-IBGZPJMESA-N 1 0 487.695 3.935 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccccn2)CC1 ZINC001313700864 1070978028 /nfs/dbraw/zinc/97/80/28/1070978028.db2.gz LRQFJWTVKLZDNT-GRGXKFILSA-N 1 0 497.688 3.997 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2[C@H]2C[C@H]2C)CC1 ZINC001313700880 1070978182 /nfs/dbraw/zinc/97/81/82/1070978182.db2.gz MHHQJHLLGSKBBZ-HJNYFJLDSA-N 1 0 468.646 3.606 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2OCCC2(C)C)C1 ZINC001313702085 1070982928 /nfs/dbraw/zinc/98/29/28/1070982928.db2.gz MLVQYRSJMDVHMU-CVDCTZTESA-N 1 0 471.646 3.946 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H]2CC=CCC2)cc1 ZINC001313702491 1070984832 /nfs/dbraw/zinc/98/48/32/1070984832.db2.gz BFVYKWWNEOYUGJ-OFNKIYASSA-N 1 0 450.631 3.912 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(OC)CC2)c1 ZINC001313703243 1070985283 /nfs/dbraw/zinc/98/52/83/1070985283.db2.gz LZIGTGFLOWJKMA-HHHXNRCGSA-N 1 0 482.673 3.686 20 0 JHADRO C[C@]12CN(S(=O)(=O)c3cnc(Cl)c(Br)c3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001309827792 1070987443 /nfs/dbraw/zinc/98/74/43/1070987443.db2.gz AVTJDOMZPSMING-BEFAXECRSA-N 1 0 470.820 3.640 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(C)C)nnc2N2CCN([C@H](C)c3nc(C)no3)CC2)cc1 ZINC001313703219 1070985931 /nfs/dbraw/zinc/98/59/31/1070985931.db2.gz GPGCPAAYQVYTOO-HXUWFJFHSA-N 1 0 480.661 3.866 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccccc2F)C1 ZINC001313703182 1070986017 /nfs/dbraw/zinc/98/60/17/1070986017.db2.gz BJCQZBSWZRWERJ-HXUWFJFHSA-N 1 0 470.637 3.799 20 0 JHADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001309828261 1070987292 /nfs/dbraw/zinc/98/72/92/1070987292.db2.gz KBLGEAYOQHDRLS-UTKZUKDTSA-N 1 0 470.513 3.736 20 0 JHADRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001309827711 1070987470 /nfs/dbraw/zinc/98/74/70/1070987470.db2.gz VEBOXKUAPUOTLG-HXUWFJFHSA-N 1 0 455.462 3.977 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCS[C@@H](C)[C@H]2C)cc1 ZINC001313703931 1070989323 /nfs/dbraw/zinc/98/93/23/1070989323.db2.gz IKSHHDKNYRRAGI-MOPGFXCFSA-N 1 0 458.676 3.637 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001313704873 1070991898 /nfs/dbraw/zinc/99/18/98/1070991898.db2.gz NYAWLISAPQNFGK-URXFXBBRSA-N 1 0 455.647 3.925 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001313705104 1070993082 /nfs/dbraw/zinc/99/30/82/1070993082.db2.gz ALWGCLZUVXZWOR-SFHVURJKSA-N 1 0 482.551 3.531 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCSC1 ZINC001313705083 1070993137 /nfs/dbraw/zinc/99/31/37/1070993137.db2.gz QPNLQZHSVSHZDL-QHCPKHFHSA-N 1 0 467.687 3.972 20 0 JHADRO CN(Cc1ccccc1Br)c1nnc(-c2cccn2C)n1CCCC[NH+]1CCOCC1 ZINC001314746775 1070992508 /nfs/dbraw/zinc/99/25/08/1070992508.db2.gz QFLSFTUAQUYMLI-UHFFFAOYSA-N 1 0 487.446 3.795 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2C[C@@H]2C)C1 ZINC001313705513 1070993788 /nfs/dbraw/zinc/99/37/88/1070993788.db2.gz DBTNQMVKHFABRU-YSIASYRMSA-N 1 0 459.038 3.686 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccoc2)C1 ZINC001313707378 1070998194 /nfs/dbraw/zinc/99/81/94/1070998194.db2.gz LVRNMBMQULZIHL-HXUWFJFHSA-N 1 0 450.587 3.957 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(C)C)n2C[C@H](c2cccs2)N2CCOCC2)C1 ZINC001313707444 1070998258 /nfs/dbraw/zinc/99/82/58/1070998258.db2.gz NREAQABTDTUCCL-NHCUHLMSSA-N 1 0 460.692 3.705 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCSC2)C1 ZINC001313706230 1070995593 /nfs/dbraw/zinc/99/55/93/1070995593.db2.gz AVAFMVPQRYNMHX-JTSKRJEESA-N 1 0 450.052 3.635 20 0 JHADRO CN(Cc1ccccc1Br)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1CCCCC1 ZINC001314748242 1070997021 /nfs/dbraw/zinc/99/70/21/1070997021.db2.gz CORYJIXODJAVGC-UHFFFAOYSA-N 1 0 489.462 3.789 20 0 JHADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001309856456 1070997308 /nfs/dbraw/zinc/99/73/08/1070997308.db2.gz WLELGUFFVXACKL-HSZRJFAPSA-N 1 0 451.633 3.550 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001313708170 1070999693 /nfs/dbraw/zinc/99/96/93/1070999693.db2.gz YDEBULGJZATCID-RTBURBONSA-N 1 0 459.639 3.602 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)OC)C1 ZINC001313708695 1071000476 /nfs/dbraw/zinc/00/04/76/1071000476.db2.gz AWLDYZFDHMBQMS-SLFFLAALSA-N 1 0 478.682 3.642 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001313709031 1071000924 /nfs/dbraw/zinc/00/09/24/1071000924.db2.gz FMBIGLGBWJVFCS-QUCCMNQESA-N 1 0 483.642 3.685 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCCCC2=O)C1 ZINC001313708921 1071001067 /nfs/dbraw/zinc/00/10/67/1071001067.db2.gz DDNJZBBPHUDEII-CQOQZXRMSA-N 1 0 488.721 3.767 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([S@@](C)=O)CCC2)C1 ZINC001313709214 1071001723 /nfs/dbraw/zinc/00/17/23/1071001723.db2.gz IQOPLRUEDLBFGZ-QYJFXGKYSA-N 1 0 479.735 3.666 20 0 JHADRO O=S(=O)(c1cnc(Cl)cc1C(F)(F)F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001309872078 1071001743 /nfs/dbraw/zinc/00/17/43/1071001743.db2.gz SNIKMZDFUHDKCJ-CVEARBPZSA-N 1 0 459.921 3.896 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC001313709537 1071002387 /nfs/dbraw/zinc/00/23/87/1071002387.db2.gz NHMRUTJNHKHKPX-NFBKMPQASA-N 1 0 468.646 3.842 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2COCCO2)C1 ZINC001313709717 1071002725 /nfs/dbraw/zinc/00/27/25/1071002725.db2.gz PNTPRPJKGSHYTC-QPPBQGQZSA-N 1 0 485.673 3.738 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001313710819 1071005245 /nfs/dbraw/zinc/00/52/45/1071005245.db2.gz IPDCIGGCTBYTCC-KRWDZBQOSA-N 1 0 495.466 3.542 20 0 JHADRO CN(Cc1ccco1)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+](C)C)CCCCC1 ZINC001314755948 1071009180 /nfs/dbraw/zinc/00/91/80/1071009180.db2.gz AIDYSOYNBQVUMG-UHFFFAOYSA-N 1 0 456.616 3.764 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313711310 1071006353 /nfs/dbraw/zinc/00/63/53/1071006353.db2.gz BHGKOPNOGZIQTN-GOSISDBHSA-N 1 0 478.435 3.747 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001313712668 1071009283 /nfs/dbraw/zinc/00/92/83/1071009283.db2.gz VGEUCIVRXBEGNX-INIZCTEOSA-N 1 0 467.456 3.782 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313712701 1071009320 /nfs/dbraw/zinc/00/93/20/1071009320.db2.gz VNQYWDSFVWOUIK-UZLBHIALSA-N 1 0 485.551 3.850 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001313711808 1071007236 /nfs/dbraw/zinc/00/72/36/1071007236.db2.gz HKQASGMJNPNEFI-UHFFFAOYSA-N 1 0 488.080 3.954 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(CC(N)=O)CC1 ZINC001313712121 1071008141 /nfs/dbraw/zinc/00/81/41/1071008141.db2.gz SCGOCTUBGVOVOG-UHFFFAOYSA-N 1 0 463.630 3.625 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(CO)CC1 ZINC001313712364 1071008316 /nfs/dbraw/zinc/00/83/16/1071008316.db2.gz OLGQHZCUUPVLKE-UHFFFAOYSA-N 1 0 480.451 3.657 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001313712341 1071008438 /nfs/dbraw/zinc/00/84/38/1071008438.db2.gz ODTBKVFAENXEBF-SFHVURJKSA-N 1 0 458.676 3.674 20 0 JHADRO CC[NH+](CC)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccccc2CC1 ZINC001313715297 1071014160 /nfs/dbraw/zinc/01/41/60/1071014160.db2.gz BICLYNLAARAYBT-UHFFFAOYSA-N 1 0 466.655 3.607 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)COC)C1 ZINC001313713485 1071010228 /nfs/dbraw/zinc/01/02/28/1071010228.db2.gz UVBOGOIUFBXYEM-NHCUHLMSSA-N 1 0 492.709 3.843 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001313713132 1071010245 /nfs/dbraw/zinc/01/02/45/1071010245.db2.gz YSKHPZBYEXMUTA-XLIONFOSSA-N 1 0 480.451 3.680 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(OC)nc2)C1 ZINC001313714027 1071011335 /nfs/dbraw/zinc/01/13/35/1071011335.db2.gz VPHHYUJZGPSYKK-OAQYLSRUSA-N 1 0 452.578 3.628 20 0 JHADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001309905911 1071011498 /nfs/dbraw/zinc/01/14/98/1071011498.db2.gz JNPABCSUGBKBFG-UHFFFAOYSA-N 1 0 453.649 3.700 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001313714700 1071012735 /nfs/dbraw/zinc/01/27/35/1071012735.db2.gz OCZXFXFZDLYJKW-VQTJNVASSA-N 1 0 489.462 3.687 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001313714635 1071012783 /nfs/dbraw/zinc/01/27/83/1071012783.db2.gz ZZFWYJUHGFLCRW-QTYPKTMWSA-N 1 0 463.667 3.723 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cnc(C)s1 ZINC001313714789 1071013139 /nfs/dbraw/zinc/01/31/39/1071013139.db2.gz RKGHVZPJPITEPA-UHFFFAOYSA-N 1 0 456.616 3.850 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001313714982 1071013623 /nfs/dbraw/zinc/01/36/23/1071013623.db2.gz XXUMHQGSWCBLKR-QGZVFWFLSA-N 1 0 478.435 3.829 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CCC(C)CC1 ZINC001313715165 1071013644 /nfs/dbraw/zinc/01/36/44/1071013644.db2.gz FTDQUSNPCPDUCK-UHFFFAOYSA-N 1 0 475.707 3.985 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001313715055 1071013730 /nfs/dbraw/zinc/01/37/30/1071013730.db2.gz BQUYQSZZWBPPTE-QFIPXVFZSA-N 1 0 475.641 3.870 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314759701 1071014815 /nfs/dbraw/zinc/01/48/15/1071014815.db2.gz PUHJZMPTENNGBL-UHFFFAOYSA-N 1 0 475.439 3.528 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001313716142 1071015359 /nfs/dbraw/zinc/01/53/59/1071015359.db2.gz OVRXFOGIWSXTET-UHFFFAOYSA-N 1 0 471.650 3.813 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313716586 1071015841 /nfs/dbraw/zinc/01/58/41/1071015841.db2.gz TWDYJFGFHAFVQO-FQEVSTJZSA-N 1 0 465.646 3.851 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001313719508 1071019971 /nfs/dbraw/zinc/01/99/71/1071019971.db2.gz QSWZTBYOVHKAFU-FGZHOGPDSA-N 1 0 497.688 3.571 20 0 JHADRO CC[NH+](CC)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC001313716966 1071016498 /nfs/dbraw/zinc/01/64/98/1071016498.db2.gz YAIVCVBMTXGWCO-UHFFFAOYSA-N 1 0 478.689 3.815 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCS(=O)CC1 ZINC001313719542 1071020201 /nfs/dbraw/zinc/02/02/01/1071020201.db2.gz RMFLJKFQDROVCY-RTBURBONSA-N 1 0 482.094 3.987 20 0 JHADRO CC[NH+](CC)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC2(CC2)C1 ZINC001313720514 1071021681 /nfs/dbraw/zinc/02/16/81/1071021681.db2.gz WOFPNGWERDYNOK-UHFFFAOYSA-N 1 0 490.693 3.741 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc([C@H]2CCOC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314763035 1071021804 /nfs/dbraw/zinc/02/18/04/1071021804.db2.gz OOTZNOXGEGROCQ-KRWDZBQOSA-N 1 0 483.583 3.825 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 ZINC001313720975 1071021972 /nfs/dbraw/zinc/02/19/72/1071021972.db2.gz VSRNCSBONASCDA-FQEVSTJZSA-N 1 0 472.638 3.508 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc([C@H]2CCCO2)n1CCCCC[NH+]1CCCC1 ZINC001314763450 1071022785 /nfs/dbraw/zinc/02/27/85/1071022785.db2.gz WUCIYKZEGZXXKZ-GOSISDBHSA-N 1 0 469.556 3.784 20 0 JHADRO CN(Cc1cnccn1)c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCCCC1 ZINC001314764218 1071025066 /nfs/dbraw/zinc/02/50/66/1071025066.db2.gz UHWPXMGLUQMPFX-UHFFFAOYSA-N 1 0 474.382 3.759 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001313723451 1071028773 /nfs/dbraw/zinc/02/87/73/1071028773.db2.gz GJIMVIYNTALGOZ-IEBWSBKVSA-N 1 0 454.541 3.542 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 ZINC001313724049 1071030137 /nfs/dbraw/zinc/03/01/37/1071030137.db2.gz ZSTFCIPPETUHQR-LJQANCHMSA-N 1 0 465.646 3.520 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001313722160 1071026375 /nfs/dbraw/zinc/02/63/75/1071026375.db2.gz QXHIOAIWJRHNFX-HXUWFJFHSA-N 1 0 472.634 3.599 20 0 JHADRO CN(Cc1ccoc1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001314765264 1071027270 /nfs/dbraw/zinc/02/72/70/1071027270.db2.gz QTJVFVLJTLIXAQ-UHFFFAOYSA-N 1 0 471.005 3.965 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](C)C1 ZINC001313724512 1071031060 /nfs/dbraw/zinc/03/10/60/1071031060.db2.gz RFRJUXHDTDJBQI-PWRODBHTSA-N 1 0 478.682 3.943 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001313724583 1071031068 /nfs/dbraw/zinc/03/10/68/1071031068.db2.gz AEGDSCNBRFESFR-LJQANCHMSA-N 1 0 456.610 3.768 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC001313725223 1071032076 /nfs/dbraw/zinc/03/20/76/1071032076.db2.gz HLUKZNWBKNUNTJ-VWNXMTODSA-N 1 0 469.674 3.724 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC001313726174 1071034692 /nfs/dbraw/zinc/03/46/92/1071034692.db2.gz ATJDSYHUNOJDEU-GHIJLPKUSA-N 1 0 489.636 3.838 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCc3c(F)cc(F)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313726966 1071035618 /nfs/dbraw/zinc/03/56/18/1071035618.db2.gz UGURGDIXCVYTKC-CJAUYULYSA-N 1 0 477.600 3.890 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001313727231 1071036752 /nfs/dbraw/zinc/03/67/52/1071036752.db2.gz ZNQMATLKPWBAIA-OAQYLSRUSA-N 1 0 474.600 3.939 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCc3cc(F)ccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313726750 1071035795 /nfs/dbraw/zinc/03/57/95/1071035795.db2.gz PXFDVUHSELYHEJ-KBMIEXCESA-N 1 0 459.610 3.751 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001313726685 1071035801 /nfs/dbraw/zinc/03/58/01/1071035801.db2.gz OYLUDSVFVACPRD-NJDAHSKKSA-N 1 0 491.725 3.557 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnn(C)c2)n1CC[N@H+](C)C1CCCCC1 ZINC001313727985 1071038165 /nfs/dbraw/zinc/03/81/65/1071038165.db2.gz BWUSRVGNBHDBEV-UHFFFAOYSA-N 1 0 492.672 3.671 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314772249 1071038319 /nfs/dbraw/zinc/03/83/19/1071038319.db2.gz SGVWNJYDTAWCPE-QWHCGFSZSA-N 1 0 499.588 3.705 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001313730019 1071043501 /nfs/dbraw/zinc/04/35/01/1071043501.db2.gz QLHLNKCGYYGXJN-LJQANCHMSA-N 1 0 470.568 3.800 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001313730180 1071044033 /nfs/dbraw/zinc/04/40/33/1071044033.db2.gz UOKVJXNNOXZKIB-NZQKXSOJSA-N 1 0 468.646 3.590 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[NH+](C(C)C)C(C)C ZINC001313730175 1071044179 /nfs/dbraw/zinc/04/41/79/1071044179.db2.gz FNIHTWQWZHNZQP-SFHVURJKSA-N 1 0 483.629 3.604 20 0 JHADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C[C@H]1C ZINC001309994660 1071044190 /nfs/dbraw/zinc/04/41/90/1071044190.db2.gz DUBXQFATMDQKCN-SJLPKXTDSA-N 1 0 457.040 3.851 20 0 JHADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C[C@@H]1C ZINC001309994658 1071044351 /nfs/dbraw/zinc/04/43/51/1071044351.db2.gz DUBXQFATMDQKCN-FUHWJXTLSA-N 1 0 457.040 3.851 20 0 JHADRO CN(Cc1nccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314774893 1071044849 /nfs/dbraw/zinc/04/48/49/1071044849.db2.gz RCTONRJNVRPONW-LJQANCHMSA-N 1 0 450.037 3.524 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccccn2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314775328 1071045819 /nfs/dbraw/zinc/04/58/19/1071045819.db2.gz KGVFSGJBHKYFQA-KRWDZBQOSA-N 1 0 471.034 3.652 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCCC1 ZINC001313731717 1071048236 /nfs/dbraw/zinc/04/82/36/1071048236.db2.gz QELLMZNDMBJOPX-QGZVFWFLSA-N 1 0 486.107 3.798 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001313731303 1071047073 /nfs/dbraw/zinc/04/70/73/1071047073.db2.gz QMVNWRKGBARMDR-PGRDOPGGSA-N 1 0 463.573 3.671 20 0 JHADRO CCCCNS(=O)(=O)c1cccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC001309998403 1071047567 /nfs/dbraw/zinc/04/75/67/1071047567.db2.gz SMKXYPRKWCBWPM-UHFFFAOYSA-N 1 0 450.649 3.885 20 0 JHADRO CN(Cc1ccon1)c1nnc(-c2cc(Br)cn2C)n1CC[NH+]1CCCCCC1 ZINC001314776535 1071048515 /nfs/dbraw/zinc/04/85/15/1071048515.db2.gz WBJNPZJZVDJGFU-UHFFFAOYSA-N 1 0 462.396 3.547 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001313734179 1071053592 /nfs/dbraw/zinc/05/35/92/1071053592.db2.gz MNZGRQBJBAXDQH-XMMPIXPASA-N 1 0 466.605 3.786 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314777372 1071050430 /nfs/dbraw/zinc/05/04/30/1071050430.db2.gz PKEUMMLYUOGIJL-UHFFFAOYSA-N 1 0 493.994 3.609 20 0 JHADRO CN(Cc1ccon1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001314779361 1071053715 /nfs/dbraw/zinc/05/37/15/1071053715.db2.gz MQPUEPVWGSFSDA-UHFFFAOYSA-N 1 0 487.649 3.893 20 0 JHADRO CN(Cc1cnn(-c2ccccc2)n1)c1nnc(CC(C)(C)C)n1CC[NH+]1CCCCCC1 ZINC001314779280 1071053722 /nfs/dbraw/zinc/05/37/22/1071053722.db2.gz GOHQBODWVSHOFM-UHFFFAOYSA-N 1 0 450.635 3.960 20 0 JHADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc([C@H]2CCCOC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001313738749 1071063115 /nfs/dbraw/zinc/06/31/15/1071063115.db2.gz NKWIWCOWEJZUFA-LEWJYISDSA-N 1 0 457.619 3.904 20 0 JHADRO CN(CC1CC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001314786211 1071063270 /nfs/dbraw/zinc/06/32/70/1071063270.db2.gz OVOJROJCEIHBGH-UHFFFAOYSA-N 1 0 459.038 3.972 20 0 JHADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC001310019314 1071064875 /nfs/dbraw/zinc/06/48/75/1071064875.db2.gz JWTWEFHCDVNHPY-NRFANRHFSA-N 1 0 455.990 3.717 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@](C)(C(=O)OC)c2ccccc2)CC1 ZINC001310020676 1071065266 /nfs/dbraw/zinc/06/52/66/1071065266.db2.gz ZCVVMYNFACAFJM-XMMPIXPASA-N 1 0 458.990 3.734 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc(CN2CCCC2=O)n1CCC[NH+]1CCC(C)CC1 ZINC001313740717 1071066130 /nfs/dbraw/zinc/06/61/30/1071066130.db2.gz GXCMXAUXOZSQLA-UHFFFAOYSA-N 1 0 452.647 3.857 20 0 JHADRO CN(C[C@@H]1CC=CCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001314789597 1071066371 /nfs/dbraw/zinc/06/63/71/1071066371.db2.gz AQSIDJJORRHNIX-NJYVYQBISA-N 1 0 490.718 3.890 20 0 JHADRO CN(C[C@H]1CC=CCC1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314790600 1071068232 /nfs/dbraw/zinc/06/82/32/1071068232.db2.gz PLHAUOHNKWLROE-VQTJNVASSA-N 1 0 459.585 3.786 20 0 JHADRO CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001313744209 1071071752 /nfs/dbraw/zinc/07/17/52/1071071752.db2.gz STTZQNFAFAILPV-GOSISDBHSA-N 1 0 458.657 3.967 20 0 JHADRO CCN(Cc1ccccc1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C(C)C ZINC001313744431 1071071774 /nfs/dbraw/zinc/07/17/74/1071071774.db2.gz QRTDSQVDRFRZTD-QFIPXVFZSA-N 1 0 486.661 3.953 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@H](CCNC(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001310036988 1071076068 /nfs/dbraw/zinc/07/60/68/1071076068.db2.gz QBHKIKZWKSDWBS-HXUWFJFHSA-N 1 0 459.635 3.987 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313750409 1071082032 /nfs/dbraw/zinc/08/20/32/1071082032.db2.gz HYOCTEXEPCDLHM-PMACEKPBSA-N 1 0 481.645 3.602 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+](C)C(C)C ZINC001313750335 1071082245 /nfs/dbraw/zinc/08/22/45/1071082245.db2.gz FOFHIKJIJNIAOG-UHFFFAOYSA-N 1 0 478.414 3.947 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314804005 1071088606 /nfs/dbraw/zinc/08/86/06/1071088606.db2.gz XGDPDPZRFWCULH-MOPGFXCFSA-N 1 0 466.001 3.590 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001314805429 1071091691 /nfs/dbraw/zinc/09/16/91/1071091691.db2.gz UIAYFSUKQWCOFQ-FQEVSTJZSA-N 1 0 489.064 3.599 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(CCCc2ccccc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314807379 1071096121 /nfs/dbraw/zinc/09/61/21/1071096121.db2.gz FEHGYQKXZVJLRN-RCZVLFRGSA-N 1 0 457.688 3.754 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccncc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313755708 1071096322 /nfs/dbraw/zinc/09/63/22/1071096322.db2.gz YRTGKIPAXZJHNL-OYRHEFFESA-N 1 0 464.662 3.780 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314807047 1071095518 /nfs/dbraw/zinc/09/55/18/1071095518.db2.gz DNVXJCXERIEHKS-XXBNENTESA-N 1 0 464.079 3.822 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(COc2ccccc2F)n1CC1([NH+](C)C)CCCC1 ZINC001313756539 1071099194 /nfs/dbraw/zinc/09/91/94/1071099194.db2.gz SKQNIPUZMIWFNI-UHFFFAOYSA-N 1 0 455.582 3.631 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314810268 1071102685 /nfs/dbraw/zinc/10/26/85/1071102685.db2.gz JGFSXYZFBNKNBA-PCCBWWKXSA-N 1 0 490.693 3.786 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314810265 1071102775 /nfs/dbraw/zinc/10/27/75/1071102775.db2.gz JGFSXYZFBNKNBA-NJYVYQBISA-N 1 0 490.693 3.786 20 0 JHADRO CCN(CC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313763996 1071110679 /nfs/dbraw/zinc/11/06/79/1071110679.db2.gz DVSTWQKFQFPTKW-BLKABHOGSA-N 1 0 490.693 3.784 20 0 JHADRO CN(CC1CCOCC1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314815697 1071122504 /nfs/dbraw/zinc/12/25/04/1071122504.db2.gz PQJCJFWTPOEBDY-IBGZPJMESA-N 1 0 482.456 3.962 20 0 JHADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CC[C@@H]([N@H+](C)CC)C3)c2)c1C(F)(F)F ZINC001310118095 1071131785 /nfs/dbraw/zinc/13/17/85/1071131785.db2.gz UWHUODAKVFSSPG-MRXNPFEDSA-N 1 0 453.465 3.626 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001313775333 1071131915 /nfs/dbraw/zinc/13/19/15/1071131915.db2.gz FUFCVCVQJOWXKS-NHCUHLMSSA-N 1 0 492.462 3.560 20 0 JHADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)N[C@H]3CC[N@H+](C)[C@H]3c3ccc(F)cc3)c2)n1 ZINC001310118977 1071132509 /nfs/dbraw/zinc/13/25/09/1071132509.db2.gz WRVUKOBRPCQEEP-UNMCSNQZSA-N 1 0 451.502 3.755 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(-c2cccnc2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001314820317 1071136161 /nfs/dbraw/zinc/13/61/61/1071136161.db2.gz PUFIIRRQROXOGD-UHFFFAOYSA-N 1 0 474.531 3.734 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001313778830 1071140305 /nfs/dbraw/zinc/14/03/05/1071140305.db2.gz YRQUSWPYVFCROD-PZJWPPBQSA-N 1 0 457.619 3.700 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(Cc2ccncc2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001313777902 1071137086 /nfs/dbraw/zinc/13/70/86/1071137086.db2.gz OZQMSRZYDJKURS-PKTZIBPZSA-N 1 0 452.578 3.711 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001313778908 1071141150 /nfs/dbraw/zinc/14/11/50/1071141150.db2.gz LJGBDLWLJKMRST-KJJMTIBFSA-N 1 0 463.667 3.518 20 0 JHADRO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C(C)C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001313780144 1071144065 /nfs/dbraw/zinc/14/40/65/1071144065.db2.gz XGLJLGHALRMYKB-JOCHJYFZSA-N 1 0 469.678 3.508 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001313780174 1071144244 /nfs/dbraw/zinc/14/42/44/1071144244.db2.gz LAIUSVBORXKICP-FCHUYYIVSA-N 1 0 490.693 3.884 20 0 JHADRO CN(CCC(F)F)c1nnc(-c2ccccc2Br)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314823620 1071144899 /nfs/dbraw/zinc/14/48/99/1071144899.db2.gz NFVMZJXGVSJMJT-UHFFFAOYSA-N 1 0 485.421 3.825 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@]1(C)CCCO1 ZINC001314823524 1071144923 /nfs/dbraw/zinc/14/49/23/1071144923.db2.gz HSVDZEFUGYTTTA-HSZRJFAPSA-N 1 0 480.579 3.601 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(Cn2nc(C)cc2C)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001313781478 1071146340 /nfs/dbraw/zinc/14/63/40/1071146340.db2.gz CJPBJIQXSOOWFT-JTAQYXEDSA-N 1 0 457.667 3.513 20 0 JHADRO CN(CCC(F)F)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314824477 1071147133 /nfs/dbraw/zinc/14/71/33/1071147133.db2.gz FTLYSUIIIPFGFC-JOCHJYFZSA-N 1 0 461.586 3.660 20 0 JHADRO CN(CCC(F)F)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+](C)C1CCCCC1 ZINC001314825724 1071149243 /nfs/dbraw/zinc/14/92/43/1071149243.db2.gz WWEYIGQWHXVELO-UHFFFAOYSA-N 1 0 483.633 3.594 20 0 JHADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC001310141891 1071150755 /nfs/dbraw/zinc/15/07/55/1071150755.db2.gz IKAJDYUCVZNSCY-UHFFFAOYSA-N 1 0 456.562 3.767 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC001310146626 1071154493 /nfs/dbraw/zinc/15/44/93/1071154493.db2.gz SSCKIGIWENBHAN-WZONZLPQSA-N 1 0 471.001 3.891 20 0 JHADRO CN(CCC(F)F)c1nnc(COc2ccccc2F)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001314828124 1071154764 /nfs/dbraw/zinc/15/47/64/1071154764.db2.gz VYYBNSPDCVZYEK-UHFFFAOYSA-N 1 0 467.536 3.733 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CC=CCC2)C1)CC(F)(F)F ZINC001313784485 1071155403 /nfs/dbraw/zinc/15/54/03/1071155403.db2.gz IFRFTXNFOJEQOT-LJQANCHMSA-N 1 0 497.635 3.606 20 0 JHADRO CCN(CC1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC001313784472 1071155476 /nfs/dbraw/zinc/15/54/76/1071155476.db2.gz GMYDEFOTRAMKNN-QFIPXVFZSA-N 1 0 490.693 3.741 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)C[NH+]2CCCC2)C1)CC(F)(F)F ZINC001313784813 1071156118 /nfs/dbraw/zinc/15/61/18/1071156118.db2.gz HKHNMYVVXHUDSA-ACRUOGEOSA-N 1 0 486.627 3.962 20 0 JHADRO CN(CCC(F)(F)F)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001314827377 1071152628 /nfs/dbraw/zinc/15/26/28/1071152628.db2.gz UXAMRPZQGHPUSH-CALCHBBNSA-N 1 0 474.572 3.923 20 0 JHADRO CCN(C[C@H]1COc2ccccc2O1)c1nnc(CC(C)(C)C)n1CC[NH+]1CCSCC1 ZINC001313783964 1071153237 /nfs/dbraw/zinc/15/32/37/1071153237.db2.gz BTVHTCSIWWRSBQ-IBGZPJMESA-N 1 0 459.660 3.582 20 0 JHADRO CN(CCc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314830308 1071160976 /nfs/dbraw/zinc/16/09/76/1071160976.db2.gz SHXOEEQPBLCOCP-GOSISDBHSA-N 1 0 461.035 3.581 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1)CC(F)(F)F ZINC001313787156 1071163530 /nfs/dbraw/zinc/16/35/30/1071163530.db2.gz MALUVENPUIAGQV-PMACEKPBSA-N 1 0 488.643 3.787 20 0 JHADRO CCN(C[C@@H]1COc2ccccc2O1)c1nnc(-c2cccn2C)n1C[C@@H](C)[NH+](CC)CC ZINC001313787829 1071170663 /nfs/dbraw/zinc/17/06/63/1071170663.db2.gz ZWVGXBYBEVLJRU-WOJBJXKFSA-N 1 0 452.603 3.680 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccco2)[NH+](C)C)C1)CC(F)(F)F ZINC001313788150 1071172971 /nfs/dbraw/zinc/17/29/71/1071172971.db2.gz JHRGFDUHAQQTOD-ICSRJNTNSA-N 1 0 493.578 3.890 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCC[N@@H+]2CC)C1)CC(F)(F)F ZINC001313788176 1071173023 /nfs/dbraw/zinc/17/30/23/1071173023.db2.gz ZFPHEZKNVAAPOJ-PWRODBHTSA-N 1 0 486.627 3.757 20 0 JHADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC001310173007 1071178412 /nfs/dbraw/zinc/17/84/12/1071178412.db2.gz XYDAPKMRXFUOJZ-AREMUKBSSA-N 1 0 450.627 3.780 20 0 JHADRO CCN(CCc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CC[NH+](C)CC1 ZINC001313789000 1071177688 /nfs/dbraw/zinc/17/76/88/1071177688.db2.gz GZZMFSXJSOWLAJ-UHFFFAOYSA-N 1 0 499.710 3.883 20 0 JHADRO Cc1cccc(C)c1Oc1ccccc1NC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001310177569 1071182753 /nfs/dbraw/zinc/18/27/53/1071182753.db2.gz KNQXHJPOLBWQDZ-UHFFFAOYSA-N 1 0 450.543 3.614 20 0 JHADRO CN(CCC1CCOCC1)c1nnc(-c2ccccc2Cl)n1CCC[NH+]1CCC(O)CC1 ZINC001314842402 1071192582 /nfs/dbraw/zinc/19/25/82/1071192582.db2.gz VVNQVBHBHKXTGJ-UHFFFAOYSA-N 1 0 462.038 3.698 20 0 JHADRO CCN(CCC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCC(C)CC1 ZINC001313795652 1071194595 /nfs/dbraw/zinc/19/45/95/1071194595.db2.gz FVKQAZMQWKRPNS-QFIPXVFZSA-N 1 0 490.693 3.945 20 0 JHADRO CN(CCCc1ccccn1)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CC=CCC1 ZINC001314843360 1071195463 /nfs/dbraw/zinc/19/54/63/1071195463.db2.gz YNPXHFLRGOSSIS-UHFFFAOYSA-N 1 0 452.553 3.873 20 0 JHADRO CCC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@H](OC(=O)N(C)C)C3)cc2Cl)CC1 ZINC001310192697 1071198380 /nfs/dbraw/zinc/19/83/80/1071198380.db2.gz XNKQRTDRDDOLCS-SFHVURJKSA-N 1 0 451.999 3.567 20 0 JHADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC001310194102 1071200379 /nfs/dbraw/zinc/20/03/79/1071200379.db2.gz CQTGZVDTWYAMLW-YKSBVNFPSA-N 1 0 459.974 3.656 20 0 JHADRO CC[N@H+](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCn2nc(C)nc2C1)C(C)C ZINC001313801535 1071205749 /nfs/dbraw/zinc/20/57/49/1071205749.db2.gz GTFHXTQXAZMCEH-KRWDZBQOSA-N 1 0 473.025 3.722 20 0 JHADRO CC[N@H+](CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](NC(C)=O)C1)C1CC1 ZINC001313801896 1071206686 /nfs/dbraw/zinc/20/66/86/1071206686.db2.gz KTBPNSFMHLHZDO-IRLDBZIGSA-N 1 0 468.646 3.624 20 0 JHADRO CC[N@H+](CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001313801940 1071206702 /nfs/dbraw/zinc/20/67/02/1071206702.db2.gz LTOWJXKPKZDZJP-DENIHFKCSA-N 1 0 495.665 3.691 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(F)ccc2Br)nnc1N1CCCO[C@H](C)C1)C1CC1 ZINC001313802971 1071209449 /nfs/dbraw/zinc/20/94/49/1071209449.db2.gz LYLZMTTYTURWJL-OAHLLOKOSA-N 1 0 466.399 3.946 20 0 JHADRO Cc1cc(N2CCSCC2)ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001310213712 1071211204 /nfs/dbraw/zinc/21/12/04/1071211204.db2.gz HNSQRWWWIARGEZ-XUZZJYLKSA-N 1 0 454.640 3.553 20 0 JHADRO CC[N@H+](CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC1CCCC1)C(C)C ZINC001313804696 1071216669 /nfs/dbraw/zinc/21/66/69/1071216669.db2.gz INWBQTDIIWUIJK-UHFFFAOYSA-N 1 0 475.707 3.903 20 0 JHADRO CC[N@H+](CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](NC(C)=O)C1)C(C)C ZINC001313804846 1071217212 /nfs/dbraw/zinc/21/72/12/1071217212.db2.gz FLWBPVYHUPRSGQ-GHTZIAJQSA-N 1 0 472.703 3.967 20 0 JHADRO C[N@H+](CCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)C1CCCCC1 ZINC001314851063 1071219911 /nfs/dbraw/zinc/21/99/11/1071219911.db2.gz OYNPCHSFJOTUSV-WZONZLPQSA-N 1 0 487.611 3.966 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1)C(C)C ZINC001313804963 1071218040 /nfs/dbraw/zinc/21/80/40/1071218040.db2.gz HFBDRZWMDKEQCI-YLJYHZDGSA-N 1 0 480.451 3.678 20 0 JHADRO C[N@H+](CCCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC001314850845 1071218618 /nfs/dbraw/zinc/21/86/18/1071218618.db2.gz NWMGTXQQHIXUHK-HSZRJFAPSA-N 1 0 460.711 3.822 20 0 JHADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1C(F)(F)F)C1CC1 ZINC001313805230 1071218797 /nfs/dbraw/zinc/21/87/97/1071218797.db2.gz LCFIFIYIFDPNFT-UHFFFAOYSA-N 1 0 464.536 3.654 20 0 JHADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)C1 ZINC001310226119 1071220818 /nfs/dbraw/zinc/22/08/18/1071220818.db2.gz JDHNOZWEBDXGIT-NRFANRHFSA-N 1 0 456.974 3.662 20 0 JHADRO CN(CCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314851152 1071221384 /nfs/dbraw/zinc/22/13/84/1071221384.db2.gz VNSAZWKPOSMQQW-JOCHJYFZSA-N 1 0 483.661 3.586 20 0 JHADRO C[C@H]1C[C@@H](CCNC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC001310228719 1071222221 /nfs/dbraw/zinc/22/22/21/1071222221.db2.gz BWOKZDKGAJVVBJ-PZJWPPBQSA-N 1 0 459.612 3.532 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCOC(C)(C)[C@@H]1C)CCC(F)(F)F ZINC001313807043 1071226582 /nfs/dbraw/zinc/22/65/82/1071226582.db2.gz AGGZJMFIWJYUPU-INIZCTEOSA-N 1 0 483.535 3.952 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](OC)C1)CCC(F)(F)F ZINC001313807237 1071227346 /nfs/dbraw/zinc/22/73/46/1071227346.db2.gz HKGGESJVRIWGDD-QGZVFWFLSA-N 1 0 469.508 3.563 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2C)nnc1N1CC[C@H](C(=O)OC)C1)CCC(F)(F)F ZINC001313807662 1071229621 /nfs/dbraw/zinc/22/96/21/1071229621.db2.gz UPLCELQTVQTWLN-KRWDZBQOSA-N 1 0 453.509 3.527 20 0 JHADRO CC[N@H+](CCn1c(C2CC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)CCC(F)(F)F ZINC001313809125 1071235515 /nfs/dbraw/zinc/23/55/15/1071235515.db2.gz FLNQBABUASZJRX-AWEZNQCLSA-N 1 0 456.479 3.503 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2C)nnc1N1CCN(Cc2cc(C)no2)CC1)C(C)C ZINC001313808234 1071231737 /nfs/dbraw/zinc/23/17/37/1071231737.db2.gz LJVHNJQZPBFNFW-UHFFFAOYSA-N 1 0 451.619 3.602 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)CCC(F)(F)F ZINC001313808309 1071232871 /nfs/dbraw/zinc/23/28/71/1071232871.db2.gz NCTWCMKDOZEYQP-KRWDZBQOSA-N 1 0 497.566 3.718 20 0 JHADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)[NH+](C)C ZINC001310244954 1071232891 /nfs/dbraw/zinc/23/28/91/1071232891.db2.gz ZXCIMISHABBPML-YADARESESA-N 1 0 454.640 3.926 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1)C(C)C ZINC001313809120 1071235153 /nfs/dbraw/zinc/23/51/53/1071235153.db2.gz NDHPKZUGENUJIL-UHFFFAOYSA-N 1 0 471.005 3.884 20 0 JHADRO CCc1nn(C)c(OC)c1CNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001310252244 1071238591 /nfs/dbraw/zinc/23/85/91/1071238591.db2.gz OYPRTYAPWAJNJS-UHFFFAOYSA-N 1 0 456.591 3.517 20 0 JHADRO CC[N@H+](CCn1c(-c2noc3c2COCC3)nnc1N1CCC(Cl)=C(Cl)C1)C(C)C ZINC001313810041 1071239241 /nfs/dbraw/zinc/23/92/41/1071239241.db2.gz PKPINZGQKJAOFC-UHFFFAOYSA-N 1 0 455.390 3.635 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)C1CC1 ZINC001313810070 1071239670 /nfs/dbraw/zinc/23/96/70/1071239670.db2.gz SCQYJBJLXFFWGG-KRWDZBQOSA-N 1 0 463.001 3.527 20 0 JHADRO CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)C1CC1 ZINC001313810792 1071239992 /nfs/dbraw/zinc/23/99/92/1071239992.db2.gz NNDIBKFUDHAPJC-FQEVSTJZSA-N 1 0 471.650 3.604 20 0 JHADRO CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](c2ccnn2C)C1)CCC(F)(F)F ZINC001313810186 1071240289 /nfs/dbraw/zinc/24/02/89/1071240289.db2.gz LWULOAVEYHMZGG-GOSISDBHSA-N 1 0 478.567 3.675 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)C(C)C ZINC001313810179 1071240332 /nfs/dbraw/zinc/24/03/32/1071240332.db2.gz UDHPEVOHUYLMJX-HXUWFJFHSA-N 1 0 458.651 3.954 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1)C(C)C ZINC001313810618 1071241704 /nfs/dbraw/zinc/24/17/04/1071241704.db2.gz NHCJUUYEUVWVIX-UHFFFAOYSA-N 1 0 477.657 3.845 20 0 JHADRO CN(CCCS(C)(=O)=O)c1nnc(C2CCCC2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001314857771 1071241742 /nfs/dbraw/zinc/24/17/42/1071241742.db2.gz WNMSHRJCZUIBJX-TZIWHRDSSA-N 1 0 479.716 3.951 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001314857861 1071242188 /nfs/dbraw/zinc/24/21/88/1071242188.db2.gz WKNLMZZMSZUWBN-RTWAWAEBSA-N 1 0 485.677 3.899 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN2CCOCC2)C1)CCC(F)(F)F ZINC001313810827 1071242830 /nfs/dbraw/zinc/24/28/30/1071242830.db2.gz XMXCCDNHMZUQFY-HXUWFJFHSA-N 1 0 498.594 3.669 20 0 JHADRO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001310255733 1071242921 /nfs/dbraw/zinc/24/29/21/1071242921.db2.gz PWNKIDVCZJYEDV-UHFFFAOYSA-N 1 0 458.990 3.845 20 0 JHADRO C[N@H+](CCn1c(-c2cccc(Cl)c2)nnc1N(CCS(C)(=O)=O)C1CC1)C1CCCCC1 ZINC001314858479 1071244370 /nfs/dbraw/zinc/24/43/70/1071244370.db2.gz IRVPBROMGCKICL-UHFFFAOYSA-N 1 0 480.078 3.876 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)CCC(F)(F)F ZINC001313811152 1071244458 /nfs/dbraw/zinc/24/44/58/1071244458.db2.gz ZUGADKLHPCVVMY-PKOBYXMFSA-N 1 0 471.524 3.505 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)C(C)C ZINC001313811205 1071245481 /nfs/dbraw/zinc/24/54/81/1071245481.db2.gz VJVTVYOYMIJGPD-SFHVURJKSA-N 1 0 485.036 3.907 20 0 JHADRO CCC[NH+]1CCN(C(=O)Nc2ccc(Br)c(I)c2)CC1 ZINC001310257826 1071245551 /nfs/dbraw/zinc/24/55/51/1071245551.db2.gz YXWITEHMSHGJLJ-UHFFFAOYSA-N 1 0 452.134 3.613 20 0 JHADRO CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2nccs2)C1)CCC(F)(F)F ZINC001313811581 1071246163 /nfs/dbraw/zinc/24/61/63/1071246163.db2.gz VYBDMHFRHDZRIU-KRWDZBQOSA-N 1 0 483.564 3.592 20 0 JHADRO C[N@H+](CCn1c(C2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)Cc1ccccc1 ZINC001314860459 1071250341 /nfs/dbraw/zinc/25/03/41/1071250341.db2.gz HHBLKLIQZFKUHW-FQEVSTJZSA-N 1 0 478.563 3.573 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001314860489 1071250485 /nfs/dbraw/zinc/25/04/85/1071250485.db2.gz JVBDGCWSJAQRES-NRFANRHFSA-N 1 0 479.629 3.851 20 0 JHADRO CC[N@H+](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCOC1)CCC(F)(F)F ZINC001313812588 1071250677 /nfs/dbraw/zinc/25/06/77/1071250677.db2.gz JMKBYXIOBSAVSY-HXUWFJFHSA-N 1 0 477.535 3.630 20 0 JHADRO CC[N@H+](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CCOC1)CCC(F)(F)F ZINC001313812587 1071251022 /nfs/dbraw/zinc/25/10/22/1071251022.db2.gz JMKBYXIOBSAVSY-FQEVSTJZSA-N 1 0 477.535 3.630 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](CC(C)C)C1)C(C)C ZINC001313811860 1071247930 /nfs/dbraw/zinc/24/79/30/1071247930.db2.gz KMHHYMYDRMSEDG-FQEVSTJZSA-N 1 0 451.623 3.524 20 0 JHADRO CN(c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+](C)Cc1ccc(F)cc1)C1CCCCC1 ZINC001314859481 1071248505 /nfs/dbraw/zinc/24/85/05/1071248505.db2.gz UBUGCXIELAFNAY-UHFFFAOYSA-N 1 0 465.577 3.965 20 0 JHADRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001310262890 1071248588 /nfs/dbraw/zinc/24/85/88/1071248588.db2.gz CLNOZCAXYPFIHD-XMMPIXPASA-N 1 0 458.990 3.579 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(C)n2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)C1CC1 ZINC001313812149 1071249537 /nfs/dbraw/zinc/24/95/37/1071249537.db2.gz CIYIGIJATWEAQI-QFIPXVFZSA-N 1 0 466.552 3.663 20 0 JHADRO CN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([NH+]2CCCCC2)CC1)CC(F)(F)F ZINC001314862259 1071255424 /nfs/dbraw/zinc/25/54/24/1071255424.db2.gz RCSLMQYPTGUUQO-UHFFFAOYSA-N 1 0 485.986 3.942 20 0 JHADRO CC[N@H+](CCn1c([C@H]2CCCCO2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)C(C)C ZINC001313814410 1071257684 /nfs/dbraw/zinc/25/76/84/1071257684.db2.gz NQQATICZRGCKGT-QHAWAJNXSA-N 1 0 476.666 3.553 20 0 JHADRO CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001310273435 1071256695 /nfs/dbraw/zinc/25/66/95/1071256695.db2.gz FZEKUFJLUQMHGX-KRWDZBQOSA-N 1 0 450.630 3.784 20 0 JHADRO C[C@@]1(NC(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001310275990 1071259503 /nfs/dbraw/zinc/25/95/03/1071259503.db2.gz FKAFWPPITAJADG-RCZVLFRGSA-N 1 0 451.571 3.773 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)[C@@H]1c1ccc(F)cc1 ZINC001310275821 1071259569 /nfs/dbraw/zinc/25/95/69/1071259569.db2.gz NZUSWKRXFZDBBK-FKBYEOEOSA-N 1 0 455.534 3.693 20 0 JHADRO CC[N@H+](CCn1c(C2CCC2)nnc1N1CCC[C@H](c2nc(C)no2)C1)CCC(F)(F)F ZINC001313815085 1071260067 /nfs/dbraw/zinc/26/00/67/1071260067.db2.gz MFZUDHXZQVUMQQ-KRWDZBQOSA-N 1 0 455.529 3.895 20 0 JHADRO CC[N@H+](CCn1c(C2CCC2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1)C(C)C ZINC001313815128 1071260575 /nfs/dbraw/zinc/26/05/75/1071260575.db2.gz NIOPAIMPVIHRQR-UHFFFAOYSA-N 1 0 471.646 3.907 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccncc2)nnc1N1CC[C@@]2(CCSC2)C1)CCC(F)(F)F ZINC001313817668 1071266113 /nfs/dbraw/zinc/26/61/13/1071266113.db2.gz XYKIKFVXPIAJHQ-OAQYLSRUSA-N 1 0 468.593 3.872 20 0 JHADRO C[N@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)Cc1ccc(F)cc1 ZINC001314866039 1071268671 /nfs/dbraw/zinc/26/86/71/1071268671.db2.gz PSQQGMJFUBFQPB-PZJWPPBQSA-N 1 0 499.553 3.991 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc([C@@H]2CCCCO2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001314866110 1071269295 /nfs/dbraw/zinc/26/92/95/1071269295.db2.gz RFVROMQPVFSYGR-IBGZPJMESA-N 1 0 476.000 3.814 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C1CC1 ZINC001313818613 1071269492 /nfs/dbraw/zinc/26/94/92/1071269492.db2.gz NJIHIYDRLBLDSL-IBGZPJMESA-N 1 0 464.580 3.734 20 0 JHADRO C[N@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(F)(F)CC1)Cc1ccccc1 ZINC001314866326 1071270277 /nfs/dbraw/zinc/27/02/77/1071270277.db2.gz GWRQZWOOCNAMED-UHFFFAOYSA-N 1 0 474.581 3.637 20 0 JHADRO CC[N@H+](CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1)C(C)C ZINC001313819317 1071272784 /nfs/dbraw/zinc/27/27/84/1071272784.db2.gz ADIUAPFCULHTDS-NRFANRHFSA-N 1 0 471.646 3.727 20 0 JHADRO CC[N@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCC=C(Br)C1)C1CC1 ZINC001313819631 1071274578 /nfs/dbraw/zinc/27/45/78/1071274578.db2.gz DGLLOSKMGKXCBQ-UHFFFAOYSA-N 1 0 464.383 3.969 20 0 JHADRO CC[N@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)C(C)C ZINC001313819824 1071275408 /nfs/dbraw/zinc/27/54/08/1071275408.db2.gz HANCFCVUXYUNIJ-SFHVURJKSA-N 1 0 486.558 3.799 20 0 JHADRO CC[N@H+](CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C)C1)CCC(F)(F)F ZINC001313820222 1071277314 /nfs/dbraw/zinc/27/73/14/1071277314.db2.gz MOYBLSAHDBKNFL-SFHVURJKSA-N 1 0 455.525 3.665 20 0 JHADRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)C(C)(C)C1)CCC(F)(F)F ZINC001313821313 1071281358 /nfs/dbraw/zinc/28/13/58/1071281358.db2.gz AVZQKWGNLPRPBF-QGZVFWFLSA-N 1 0 458.573 3.547 20 0 JHADRO CC[N@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](OC(C)(C)C)C1)C(C)C ZINC001313822330 1071285472 /nfs/dbraw/zinc/28/54/72/1071285472.db2.gz PQCZUPRQTMQMBA-IBGZPJMESA-N 1 0 476.691 3.784 20 0 JHADRO CC[N@H+](CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCOCC1)CCC(F)(F)F ZINC001313821662 1071283230 /nfs/dbraw/zinc/28/32/30/1071283230.db2.gz GENHKCGJIXDWHS-UHFFFAOYSA-N 1 0 455.525 3.585 20 0 JHADRO CC[N@H+](CCn1c(N2CCC(Cn3cccn3)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001313821581 1071283252 /nfs/dbraw/zinc/28/32/52/1071283252.db2.gz FMNJHQDESLZEOV-UHFFFAOYSA-N 1 0 455.573 3.963 20 0 JHADRO CC[N@H+](CCn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001313821786 1071283964 /nfs/dbraw/zinc/28/39/64/1071283964.db2.gz GXDFZRKVUMJQKV-UHFFFAOYSA-N 1 0 460.589 3.545 20 0 JHADRO CC[N@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCCO[C@H](c2ccccc2)C1)C(C)C ZINC001313822083 1071284566 /nfs/dbraw/zinc/28/45/66/1071284566.db2.gz LHKDJQPKBXPXKL-DEOSSOPVSA-N 1 0 465.646 3.838 20 0 JHADRO CC[N@H+](CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)CC1)C(C)C ZINC001313821999 1071284752 /nfs/dbraw/zinc/28/47/52/1071284752.db2.gz KMZVYKYMOLHZRV-UHFFFAOYSA-N 1 0 481.066 3.843 20 0 JHADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC001310309262 1071290657 /nfs/dbraw/zinc/29/06/57/1071290657.db2.gz BQRMXCWPGVSZDX-JGCGQSQUSA-N 1 0 455.624 3.712 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCCO3)n2CC[N@H+](CC)C2CC2)CC1 ZINC001313825577 1071293553 /nfs/dbraw/zinc/29/35/53/1071293553.db2.gz DZZVOJHEMBOUBS-OAQYLSRUSA-N 1 0 476.666 3.840 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(-c2cnn(C)c2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001314876699 1071293887 /nfs/dbraw/zinc/29/38/87/1071293887.db2.gz XJFWALGUPPMQRN-UHFFFAOYSA-N 1 0 475.707 3.682 20 0 JHADRO CC[N@H+](CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1COc2ccccc2O1)CCC(F)(F)F ZINC001313826921 1071297185 /nfs/dbraw/zinc/29/71/85/1071297185.db2.gz OURHVRVZBNAXSE-KRWDZBQOSA-N 1 0 465.480 3.542 20 0 JHADRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001313826487 1071296371 /nfs/dbraw/zinc/29/63/71/1071296371.db2.gz OUNDHSSVQTVRBW-QGZVFWFLSA-N 1 0 486.057 3.729 20 0 JHADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001310318977 1071301167 /nfs/dbraw/zinc/30/11/67/1071301167.db2.gz ASIODVARRJDZEP-XMSQKQJNSA-N 1 0 456.612 3.644 20 0 JHADRO O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001310318864 1071301208 /nfs/dbraw/zinc/30/12/08/1071301208.db2.gz QHRAGLUZALQFEL-WOJBJXKFSA-N 1 0 451.493 3.781 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC001310322360 1071305914 /nfs/dbraw/zinc/30/59/14/1071305914.db2.gz AZMYLPNMYIZNLG-GFCCVEGCSA-N 1 0 453.303 3.981 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3C[C@@H](C)[NH+](C)C)CCO2)cn1 ZINC001313833824 1071309913 /nfs/dbraw/zinc/30/99/13/1071309913.db2.gz ZNMAHLQJKGLRIO-ZYKOEDHHSA-N 1 0 481.645 3.779 20 0 JHADRO CCn1cc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC001313835774 1071314287 /nfs/dbraw/zinc/31/42/87/1071314287.db2.gz JRTRIWCDIPVKSS-QZTJIDSGSA-N 1 0 487.052 3.734 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)CCO2)cn1 ZINC001313834478 1071311447 /nfs/dbraw/zinc/31/14/47/1071311447.db2.gz MEAJSSYFAQMECN-SJBKTWHCSA-N 1 0 487.693 3.549 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCOCC[NH+](C)C)CCO2)cn1 ZINC001313834930 1071312488 /nfs/dbraw/zinc/31/24/88/1071312488.db2.gz NJGXUHBESUUKPX-DEOSSOPVSA-N 1 0 495.672 3.615 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H](C)[NH+]3CCC(C)CC3)CCO2)cn1 ZINC001313835488 1071313862 /nfs/dbraw/zinc/31/38/62/1071313862.db2.gz PWPSCUNXGDLWHV-RBBKRZOGSA-N 1 0 457.667 3.781 20 0 JHADRO CCn1cc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)C[NH+]2CCOCC2)cn1 ZINC001313836530 1071317398 /nfs/dbraw/zinc/31/73/98/1071317398.db2.gz ORSSIXGTHUZZDH-QGZVFWFLSA-N 1 0 476.000 3.559 20 0 JHADRO CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001310337577 1071319491 /nfs/dbraw/zinc/31/94/91/1071319491.db2.gz SVGMLUFBBUNRPL-NRFANRHFSA-N 1 0 450.649 3.882 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)cn1 ZINC001313838172 1071321131 /nfs/dbraw/zinc/32/11/31/1071321131.db2.gz MDAKPAZUWXEGHN-XZOQPEGZSA-N 1 0 467.618 3.684 20 0 JHADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)[C@@H]1c1cccs1 ZINC001310343560 1071326085 /nfs/dbraw/zinc/32/60/85/1071326085.db2.gz ZQSFIRCSCHUMKO-SCLBCKFNSA-N 1 0 457.021 3.978 20 0 JHADRO Cn1cc(Br)cc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCC(C)(C)O ZINC001314896095 1071329454 /nfs/dbraw/zinc/32/94/54/1071329454.db2.gz VMYUZZMKGHAFOF-UHFFFAOYSA-N 1 0 481.483 3.765 20 0 JHADRO CCn1cc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[N@H+](C)C2CCCCC2)cn1 ZINC001313842892 1071329746 /nfs/dbraw/zinc/32/97/46/1071329746.db2.gz HPRFQIOFRFQEPA-UHFFFAOYSA-N 1 0 456.664 3.751 20 0 JHADRO Cn1cc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCCOc2ccc(F)cc2)cn1 ZINC001314903538 1071341302 /nfs/dbraw/zinc/34/13/02/1071341302.db2.gz AQWKCJDYJIACEK-UHFFFAOYSA-N 1 0 455.582 3.597 20 0 JHADRO C[C@H]([NH2+]C1(CNC(=O)Nc2cccc(N3CCCNC3=O)c2)CCOCC1)c1ccccc1 ZINC001310375249 1071350996 /nfs/dbraw/zinc/35/09/96/1071350996.db2.gz PBIBROOJMBHZJD-IBGZPJMESA-N 1 0 451.571 3.628 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(Cl)c2)C[C@@H]1C ZINC001313857351 1071356693 /nfs/dbraw/zinc/35/66/93/1071356693.db2.gz AOVDZDWUOHZXFM-IRXDYDNUSA-N 1 0 453.978 3.546 20 0 JHADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 ZINC001310389079 1071362079 /nfs/dbraw/zinc/36/20/79/1071362079.db2.gz ATBJESNROHZOHE-UHFFFAOYSA-N 1 0 450.461 3.675 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCCCCO)C[C@@H]1C ZINC001313859470 1071363438 /nfs/dbraw/zinc/36/34/38/1071363438.db2.gz GJDSLJAPKJPPTP-DLBZAZTESA-N 1 0 450.425 3.789 20 0 JHADRO CN(Cc1c(F)cccc1Cl)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314925562 1071369000 /nfs/dbraw/zinc/36/90/00/1071369000.db2.gz BLDBILUAOLJMIN-MYRUOYEDSA-N 1 0 480.028 3.692 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCOC[C@H]2OC)C[C@@H]1C ZINC001313860953 1071371769 /nfs/dbraw/zinc/37/17/69/1071371769.db2.gz NQISBXYSEAXOAY-MEZWHVQBSA-N 1 0 479.572 3.517 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS(=O)CC1 ZINC001314928928 1071371958 /nfs/dbraw/zinc/37/19/58/1071371958.db2.gz QINRBFBXYRXQDC-SFHVURJKSA-N 1 0 498.466 3.536 20 0 JHADRO C[N@@H+]1CC[C@@](O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCSC(C)(C)C2)C1 ZINC001314927877 1071370913 /nfs/dbraw/zinc/37/09/13/1071370913.db2.gz MTBCFTWWZXWTHO-NRFANRHFSA-N 1 0 468.092 3.622 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001314928922 1071372300 /nfs/dbraw/zinc/37/23/00/1071372300.db2.gz QGRPGNCLKLSBCJ-QFIPXVFZSA-N 1 0 484.664 3.975 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3(c4ccccc4)CCC3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001313863843 1071383378 /nfs/dbraw/zinc/38/33/78/1071383378.db2.gz UHSOCMKVSOHVOP-NHCUHLMSSA-N 1 0 452.647 3.535 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)C[C@@H]1C ZINC001313862789 1071379201 /nfs/dbraw/zinc/37/92/01/1071379201.db2.gz RUSCZSWOWQVZKK-UFYCRDLUSA-N 1 0 486.636 3.783 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313863005 1071379347 /nfs/dbraw/zinc/37/93/47/1071379347.db2.gz UJWLZEDIUYVJNR-OALUTQOASA-N 1 0 472.634 3.740 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2ccccc2)C[C@H]1C ZINC001313864675 1071388411 /nfs/dbraw/zinc/38/84/11/1071388411.db2.gz VPOZQORNMKZTCD-TVZXLZGTSA-N 1 0 455.647 3.870 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2cc(Br)ccc2F)C[C@@H]1C ZINC001313864011 1071384022 /nfs/dbraw/zinc/38/40/22/1071384022.db2.gz LHNDFRXYFVMWAR-HOTGVXAUSA-N 1 0 490.425 3.742 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccs2)C[C@@H]1C ZINC001313864202 1071386519 /nfs/dbraw/zinc/38/65/19/1071386519.db2.gz YAERXDBDPMYLJB-ROUUACIJSA-N 1 0 473.668 3.572 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC001313865213 1071391454 /nfs/dbraw/zinc/39/14/54/1071391454.db2.gz WNTKDWWFKBYLAY-GBESFXJTSA-N 1 0 474.625 3.781 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313865830 1071393753 /nfs/dbraw/zinc/39/37/53/1071393753.db2.gz PGUIWZGVBYEIMP-MOPGFXCFSA-N 1 0 479.629 3.649 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNC(C)=O)C[C@@H]1C ZINC001313864936 1071389111 /nfs/dbraw/zinc/38/91/11/1071389111.db2.gz ZLPZICDGSWEOFI-ROUUACIJSA-N 1 0 458.676 3.721 20 0 JHADRO Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC001310436131 1071389213 /nfs/dbraw/zinc/38/92/13/1071389213.db2.gz XVUQKIMBDZVESD-HXUWFJFHSA-N 1 0 451.615 3.987 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CC(CC)(CC)OC)c2ccccc2c1=O ZINC001313865008 1071390376 /nfs/dbraw/zinc/39/03/76/1071390376.db2.gz NNYIVSOQWZULOD-PMACEKPBSA-N 1 0 495.672 3.799 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Oc2cccc(OC)c2)C[C@@H]1C ZINC001313867063 1071396944 /nfs/dbraw/zinc/39/69/44/1071396944.db2.gz JEZUIKHKPQXTLT-MXBUBSDBSA-N 1 0 457.619 3.915 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001314944535 1071399450 /nfs/dbraw/zinc/39/94/50/1071399450.db2.gz NMDAKJBEAVNODK-UHFFFAOYSA-N 1 0 489.064 3.737 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCC[NH+]1CCC(C)CC1 ZINC001314944880 1071400788 /nfs/dbraw/zinc/40/07/88/1071400788.db2.gz GJFYEENHAPDQPH-NRFANRHFSA-N 1 0 477.657 3.824 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC001313868449 1071404390 /nfs/dbraw/zinc/40/43/90/1071404390.db2.gz BIQDTVMYLACKFP-UXHICEINSA-N 1 0 481.645 3.826 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CC[C@H](C)c2ccc(OC)cc2)C[C@@H]1C ZINC001313868415 1071404606 /nfs/dbraw/zinc/40/46/06/1071404606.db2.gz NDAROFLRBCJNKZ-ACRUOGEOSA-N 1 0 468.646 3.522 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2Cc2conc2COC)C[C@H]1C ZINC001313869793 1071410008 /nfs/dbraw/zinc/41/00/08/1071410008.db2.gz QNNVGKUBTLEFDJ-HZPDHXFCSA-N 1 0 489.418 3.809 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCOC(C)C)C[C@@H]1C ZINC001313869278 1071408399 /nfs/dbraw/zinc/40/83/99/1071408399.db2.gz PBGPQRYMOUOBCQ-VXKWHMMOSA-N 1 0 484.693 3.576 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(C)cc2OCCOC)C[C@H]1C ZINC001313869297 1071408485 /nfs/dbraw/zinc/40/84/85/1071408485.db2.gz CHSAMTYDESMNDV-RTWAWAEBSA-N 1 0 464.614 3.641 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cccnc2OCCOC)C[C@H]1C ZINC001313869966 1071411575 /nfs/dbraw/zinc/41/15/75/1071411575.db2.gz DFFGYLUZNUDYFE-WOJBJXKFSA-N 1 0 499.059 3.910 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2cccc(NC(=O)OC)c2)C[C@H]1C ZINC001313870199 1071412363 /nfs/dbraw/zinc/41/23/63/1071412363.db2.gz ZAUANVCUOLZWOB-RTBURBONSA-N 1 0 463.586 3.794 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313870114 1071412480 /nfs/dbraw/zinc/41/24/80/1071412480.db2.gz FQOAJASBDZBDMJ-SLFFLAALSA-N 1 0 471.650 3.905 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313870112 1071412558 /nfs/dbraw/zinc/41/25/58/1071412558.db2.gz FQOAJASBDZBDMJ-HSALFYBXSA-N 1 0 471.650 3.905 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCCN(C)c2ccccc2F)C[C@@H]1C ZINC001313870868 1071415195 /nfs/dbraw/zinc/41/51/95/1071415195.db2.gz FVROWLYCRHGCCS-PMACEKPBSA-N 1 0 451.594 3.925 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313870905 1071415863 /nfs/dbraw/zinc/41/58/63/1071415863.db2.gz FXPVRXPFIDLOHS-ZWKOTPCHSA-N 1 0 465.568 3.533 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314949851 1071416131 /nfs/dbraw/zinc/41/61/31/1071416131.db2.gz JMGPSRVZGADOLD-OAQYLSRUSA-N 1 0 466.674 3.688 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313871634 1071417383 /nfs/dbraw/zinc/41/73/83/1071417383.db2.gz GVMKKFFBCSJODW-DLBZAZTESA-N 1 0 456.541 3.518 20 0 JHADRO C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)CCN1c1cc[nH+]cc1 ZINC001310476127 1071418468 /nfs/dbraw/zinc/41/84/68/1071418468.db2.gz VKBZJMSZTIHUSM-SFHVURJKSA-N 1 0 451.552 3.625 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001313872201 1071419747 /nfs/dbraw/zinc/41/97/47/1071419747.db2.gz JIUAHHKANWQCQA-LSDHHAIUSA-N 1 0 465.549 3.977 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CCCC2=O)C[C@@H]1C ZINC001313872260 1071420989 /nfs/dbraw/zinc/42/09/89/1071420989.db2.gz VWDIXHMGVLWKCA-LEWJYISDSA-N 1 0 466.674 3.956 20 0 JHADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)c1 ZINC001310481252 1071423196 /nfs/dbraw/zinc/42/31/96/1071423196.db2.gz DJVVGDNRCGCTMP-HXUWFJFHSA-N 1 0 453.587 3.847 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C ZINC001313873035 1071423755 /nfs/dbraw/zinc/42/37/55/1071423755.db2.gz YKNPRIXHANGMMF-JAXLGGSGSA-N 1 0 468.646 3.568 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313872971 1071423843 /nfs/dbraw/zinc/42/38/43/1071423843.db2.gz YDPIJDLKCLLGLL-VQTJNVASSA-N 1 0 479.629 3.778 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001314953607 1071425180 /nfs/dbraw/zinc/42/51/80/1071425180.db2.gz WEUSKPHIMXPQMV-ROUUACIJSA-N 1 0 491.478 3.790 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)c2ccccc2)C[C@H]1C ZINC001313873513 1071425788 /nfs/dbraw/zinc/42/57/88/1071425788.db2.gz CSRUPFZXMQRLTB-AQNXPRMDSA-N 1 0 466.655 3.992 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314954536 1071428125 /nfs/dbraw/zinc/42/81/25/1071428125.db2.gz LBARCOQDBPSYLS-HYBUGGRVSA-N 1 0 475.641 3.612 20 0 JHADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1)C[C@H]1CCCCO1 ZINC001310489046 1071427797 /nfs/dbraw/zinc/42/77/97/1071427797.db2.gz BJCKPNZGMPASQZ-ZJSXRUAMSA-N 1 0 456.631 3.989 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313874375 1071427784 /nfs/dbraw/zinc/42/77/84/1071427784.db2.gz NQZJEVAQUZBYRH-HKBOAZHASA-N 1 0 485.677 3.686 20 0 JHADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N(CCS(C)(=O)=O)C2CC2)cc1)C[C@@H]1CCCCO1 ZINC001310490351 1071428522 /nfs/dbraw/zinc/42/85/22/1071428522.db2.gz OCCOOELRCWLLPE-QFIPXVFZSA-N 1 0 451.633 3.507 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCNc2ccccn2)C[C@H]1C ZINC001313874685 1071429426 /nfs/dbraw/zinc/42/94/26/1071429426.db2.gz JLTPLORIKACYMF-FGZHOGPDSA-N 1 0 463.630 3.982 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2(CC)CCOCC2)C[C@@H]1C ZINC001313874814 1071430571 /nfs/dbraw/zinc/43/05/71/1071430571.db2.gz KGZSUUFZVOYVSY-SFTDATJTSA-N 1 0 471.646 3.991 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001310491887 1071431553 /nfs/dbraw/zinc/43/15/53/1071431553.db2.gz XPOSRONNRCCFPY-KNQAVFIVSA-N 1 0 453.649 3.753 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@H]1C ZINC001313875169 1071432922 /nfs/dbraw/zinc/43/29/22/1071432922.db2.gz RBEOVLFJTAIEPG-ZIAGYGMSSA-N 1 0 482.942 3.713 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313876505 1071438423 /nfs/dbraw/zinc/43/84/23/1071438423.db2.gz PBRVDGLJCIHKKR-LEWJYISDSA-N 1 0 486.661 3.918 20 0 JHADRO CCN1C[C@@H](CN(C)c2nnc(-c3cccn3C)n2C[C@@H](C)[NH+](CC)CC)Oc2ccccc21 ZINC001313878223 1071443863 /nfs/dbraw/zinc/44/38/63/1071443863.db2.gz WSFZMGMPDCFCOX-NHCUHLMSSA-N 1 0 465.646 3.738 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313878707 1071445348 /nfs/dbraw/zinc/44/53/48/1071445348.db2.gz XPHWWLQWJGRUJF-CVEARBPZSA-N 1 0 479.576 3.901 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCNc2ncc(Cl)cc2Cl)C[C@@H]1C ZINC001313879078 1071447799 /nfs/dbraw/zinc/44/77/99/1071447799.db2.gz YPUBTLRUVWVOBD-DLBZAZTESA-N 1 0 489.455 3.997 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314966060 1071448366 /nfs/dbraw/zinc/44/83/66/1071448366.db2.gz YRHSATGOXJELPO-NJDAHSKKSA-N 1 0 472.703 3.818 20 0 JHADRO 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JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(O)cc2)C[C@H]1C ZINC001313882440 1071458376 /nfs/dbraw/zinc/45/83/76/1071458376.db2.gz FXQGKXNPOSUYPJ-CZAYHTPWSA-N 1 0 498.672 3.916 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001313882669 1071459075 /nfs/dbraw/zinc/45/90/75/1071459075.db2.gz ZVZADEVIEQNUSM-MUUNZHRXSA-N 1 0 496.700 3.978 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314972544 1071460180 /nfs/dbraw/zinc/46/01/80/1071460180.db2.gz YWYYUFPHCVKVFG-CLOONOSVSA-N 1 0 486.636 3.784 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccccc3OC)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001313883530 1071462010 /nfs/dbraw/zinc/46/20/10/1071462010.db2.gz SUAUBPRQZNMARY-QHCPKHFHSA-N 1 0 455.647 3.861 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](c3ccc(Cl)s3)C2)C1 ZINC001313883522 1071462085 /nfs/dbraw/zinc/46/20/85/1071462085.db2.gz IOQRUZYOCMBIRI-BZSNNMDCSA-N 1 0 484.066 3.637 20 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UZKDZUWRUAAWRW-SLFFLAALSA-N 1 0 469.634 3.564 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001313903803 1071516410 /nfs/dbraw/zinc/51/64/10/1071516410.db2.gz SEGUCRSFEPKCKW-MOPGFXCFSA-N 1 0 459.038 3.776 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001313904204 1071517604 /nfs/dbraw/zinc/51/76/04/1071517604.db2.gz QHDNKGJUUAUHBU-QHCPKHFHSA-N 1 0 484.689 3.505 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313904688 1071519126 /nfs/dbraw/zinc/51/91/26/1071519126.db2.gz RYKQVMUSSQLJRG-VQTJNVASSA-N 1 0 451.537 3.705 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(COC)CC1 ZINC001313906914 1071526007 /nfs/dbraw/zinc/52/60/07/1071526007.db2.gz SYLHCBBHLVKUNU-SFTDATJTSA-N 1 0 474.650 3.617 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC[N@H+](C)C(C)C)CC1 ZINC001315001453 1071524543 /nfs/dbraw/zinc/52/45/43/1071524543.db2.gz YXRULQDYONJVKN-UHFFFAOYSA-N 1 0 495.441 3.539 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001313905276 1071521234 /nfs/dbraw/zinc/52/12/34/1071521234.db2.gz OUBDDINZFNYANU-OALUTQOASA-N 1 0 495.466 3.542 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cnn(C)c1C ZINC001313905281 1071521322 /nfs/dbraw/zinc/52/13/22/1071521322.db2.gz OYOQTVAKQLGJMO-NRFANRHFSA-N 1 0 467.618 3.515 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cnn(C)c1C ZINC001313905282 1071521345 /nfs/dbraw/zinc/52/13/45/1071521345.db2.gz OYOQTVAKQLGJMO-OAQYLSRUSA-N 1 0 467.618 3.515 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnc(C)s1 ZINC001313906852 1071525783 /nfs/dbraw/zinc/52/57/83/1071525783.db2.gz SCOHZJVCNOHJST-OTWHNJEPSA-N 1 0 489.690 3.934 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001313906225 1071523455 /nfs/dbraw/zinc/52/34/55/1071523455.db2.gz VIIHABGSXASUGV-NJDAHSKKSA-N 1 0 498.697 3.934 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001315002164 1071526469 /nfs/dbraw/zinc/52/64/69/1071526469.db2.gz UHFZZXLTINXLGD-RBISFHTESA-N 1 0 480.701 3.926 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313907511 1071527189 /nfs/dbraw/zinc/52/71/89/1071527189.db2.gz HBPZMKJCUVZDQE-HKUYNNGSSA-N 1 0 489.462 3.639 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001313907314 1071527484 /nfs/dbraw/zinc/52/74/84/1071527484.db2.gz BRRLYADSDLVUGV-IAGOWNOFSA-N 1 0 498.981 3.978 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001313908666 1071531028 /nfs/dbraw/zinc/53/10/28/1071531028.db2.gz AOJOZYLMDXWJAK-PWRODBHTSA-N 1 0 460.667 3.525 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313909045 1071530900 /nfs/dbraw/zinc/53/09/00/1071530900.db2.gz MFHXLUWJVPZSSM-FQEVSTJZSA-N 1 0 489.690 3.565 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)CC1 ZINC001315005120 1071531855 /nfs/dbraw/zinc/53/18/55/1071531855.db2.gz WKKYUTKMJDBBFK-QHCPKHFHSA-N 1 0 482.673 3.675 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001313909339 1071532480 /nfs/dbraw/zinc/53/24/80/1071532480.db2.gz OBVSPSPXMYLVTJ-JOCHJYFZSA-N 1 0 465.650 3.564 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(CO)CC1 ZINC001313909320 1071532630 /nfs/dbraw/zinc/53/26/30/1071532630.db2.gz RRLQSHNOTKMFSM-QFIPXVFZSA-N 1 0 471.646 3.824 20 0 JHADRO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[NH+]2CCC(C)CC2)CCO1 ZINC001315007117 1071533473 /nfs/dbraw/zinc/53/34/73/1071533473.db2.gz KEYKPQBDIOBCIO-DEOSSOPVSA-N 1 0 496.700 3.706 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C2CCC2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 ZINC001313909987 1071533792 /nfs/dbraw/zinc/53/37/92/1071533792.db2.gz JBNLQMILVOHIQJ-NRFANRHFSA-N 1 0 458.676 3.933 20 0 JHADRO CNC(=O)CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC[NH+]2CCCC2)CC1 ZINC001315016595 1071536731 /nfs/dbraw/zinc/53/67/31/1071536731.db2.gz KLODBDCFIFMWCB-IBGZPJMESA-N 1 0 489.064 3.910 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC001315015305 1071535579 /nfs/dbraw/zinc/53/55/79/1071535579.db2.gz JRNRKMGLAODEPJ-QHCPKHFHSA-N 1 0 482.673 3.774 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001315015007 1071535595 /nfs/dbraw/zinc/53/55/95/1071535595.db2.gz HHACBMQBMRTFAY-UHFFFAOYSA-N 1 0 466.674 3.765 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313913082 1071541924 /nfs/dbraw/zinc/54/19/24/1071541924.db2.gz KJBUAYWDDDOGMQ-RBBKRZOGSA-N 1 0 482.673 3.731 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 ZINC001313911208 1071537651 /nfs/dbraw/zinc/53/76/51/1071537651.db2.gz ACXQKGXXPAJRQQ-LJQANCHMSA-N 1 0 477.078 3.800 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313911932 1071538514 /nfs/dbraw/zinc/53/85/14/1071538514.db2.gz STFWQTIFVINMJV-NRSPTQNISA-N 1 0 469.634 3.564 20 0 JHADRO CNC(=O)CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001315017705 1071538754 /nfs/dbraw/zinc/53/87/54/1071538754.db2.gz WKGMQJKCIDVAPN-WOJBJXKFSA-N 1 0 486.636 3.642 20 0 JHADRO CCN1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1=O ZINC001313912889 1071541283 /nfs/dbraw/zinc/54/12/83/1071541283.db2.gz ICOZXDIMVXUQBA-NFBKMPQASA-N 1 0 486.636 3.736 20 0 JHADRO CCN1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC001313914007 1071546199 /nfs/dbraw/zinc/54/61/99/1071546199.db2.gz ORNVFUFMEWMTGJ-SIKLNZKXSA-N 1 0 486.636 3.736 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001315022283 1071544173 /nfs/dbraw/zinc/54/41/73/1071544173.db2.gz RSNSMICRFLFXGL-QFIPXVFZSA-N 1 0 464.614 3.810 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313914759 1071548745 /nfs/dbraw/zinc/54/87/45/1071548745.db2.gz NPJCIUDDYJAJFN-LGVFNWMJSA-N 1 0 465.708 3.771 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313914918 1071549172 /nfs/dbraw/zinc/54/91/72/1071549172.db2.gz OXRURTUQAHXLOH-PWRODBHTSA-N 1 0 476.666 3.840 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(OC)cc1 ZINC001313914900 1071549314 /nfs/dbraw/zinc/54/93/14/1071549314.db2.gz OWCRMYIDGBADBF-FUDKSRODSA-N 1 0 457.619 3.522 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccco2)[NH+](CC)CC)CC1=O ZINC001313916727 1071553641 /nfs/dbraw/zinc/55/36/41/1071553641.db2.gz JHBNTDMLFTXFKM-IBGZPJMESA-N 1 0 454.575 3.581 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313915580 1071550949 /nfs/dbraw/zinc/55/09/49/1071550949.db2.gz YIXWMINEGRHLEN-FDFHNCONSA-N 1 0 490.693 3.740 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(C(C)(C)C)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001315026282 1071551395 /nfs/dbraw/zinc/55/13/95/1071551395.db2.gz XCFDDTWOAULYKY-RBBKRZOGSA-N 1 0 454.663 3.839 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@H](C(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313915811 1071551586 /nfs/dbraw/zinc/55/15/86/1071551586.db2.gz SWSSBFDKWODIFJ-YCRNBWNJSA-N 1 0 455.594 3.675 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001315026818 1071552865 /nfs/dbraw/zinc/55/28/65/1071552865.db2.gz WALKDVZMGHZMNU-HXUWFJFHSA-N 1 0 491.478 3.790 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315027389 1071554063 /nfs/dbraw/zinc/55/40/63/1071554063.db2.gz QMDCRFCIDQWGAB-ROUUACIJSA-N 1 0 477.053 3.690 20 0 JHADRO CCN1CCCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@@H](C)[NH+](CC)CC)CC1=O ZINC001313917074 1071554198 /nfs/dbraw/zinc/55/41/98/1071554198.db2.gz RRBUXJZOSWTAOA-RTBURBONSA-N 1 0 472.703 3.920 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315028196 1071555551 /nfs/dbraw/zinc/55/55/51/1071555551.db2.gz ANDCZXWJGXUSPZ-MOPGFXCFSA-N 1 0 452.603 3.774 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001315029051 1071557398 /nfs/dbraw/zinc/55/73/98/1071557398.db2.gz PCZVNLNSPVFTAD-QGZVFWFLSA-N 1 0 458.676 3.721 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001313919812 1071558229 /nfs/dbraw/zinc/55/82/29/1071558229.db2.gz GLRSFSOYOHZERL-GOSISDBHSA-N 1 0 468.602 3.658 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CCCOC)CC1 ZINC001313921000 1071560707 /nfs/dbraw/zinc/56/07/07/1071560707.db2.gz NJGQCSLFRBJPNF-OAQYLSRUSA-N 1 0 456.679 3.741 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)CC2CCOCC2)CC1 ZINC001313921194 1071561261 /nfs/dbraw/zinc/56/12/61/1071561261.db2.gz OYLANOGBFRCLLR-UPVQGACJSA-N 1 0 498.716 3.924 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)CCC(F)F)CC1 ZINC001313924434 1071570296 /nfs/dbraw/zinc/57/02/96/1071570296.db2.gz FVNNUMYKGPEBOR-INIZCTEOSA-N 1 0 485.421 3.825 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(N3CCO[C@@H](c4ccccc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001313926177 1071575702 /nfs/dbraw/zinc/57/57/02/1071575702.db2.gz ATPBUMWZHNISDD-SIKLNZKXSA-N 1 0 475.081 3.833 20 0 JHADRO CNC(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001315042048 1071574204 /nfs/dbraw/zinc/57/42/04/1071574204.db2.gz CWRCSOWIXQMUMX-ZWKOTPCHSA-N 1 0 475.037 3.518 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313926517 1071577062 /nfs/dbraw/zinc/57/70/62/1071577062.db2.gz DDPBSYNOBJTOPW-KCWPFWIISA-N 1 0 484.689 3.587 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313926986 1071578826 /nfs/dbraw/zinc/57/88/26/1071578826.db2.gz GTEVZOBKITXMSR-XPWALMASSA-N 1 0 454.663 3.592 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313927085 1071578853 /nfs/dbraw/zinc/57/88/53/1071578853.db2.gz ZYICGDGLGDQYQL-KRWDZBQOSA-N 1 0 460.001 3.728 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313927642 1071581267 /nfs/dbraw/zinc/58/12/67/1071581267.db2.gz JLVJNSNPZRBRBO-PQNGQFLHSA-N 1 0 470.662 3.752 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NC(C)C)C[C@@H]1C ZINC001313928303 1071583205 /nfs/dbraw/zinc/58/32/05/1071583205.db2.gz ACUYTIPKMSSCJH-RBUKOAKNSA-N 1 0 477.053 3.743 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313929374 1071586711 /nfs/dbraw/zinc/58/67/11/1071586711.db2.gz ZEXONPNXEGXBGZ-JOCHJYFZSA-N 1 0 484.689 3.764 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001313929058 1071585896 /nfs/dbraw/zinc/58/58/96/1071585896.db2.gz XBNIGVNNRHMBQV-LAUBAEHRSA-N 1 0 465.017 3.585 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001313929841 1071588033 /nfs/dbraw/zinc/58/80/33/1071588033.db2.gz AMNUAVGDDSAGQC-FQEVSTJZSA-N 1 0 494.640 3.810 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(CSC)c2)C[C@@H]1C ZINC001313930884 1071590065 /nfs/dbraw/zinc/59/00/65/1071590065.db2.gz CZUWPWRBOXDNEG-CPJSRVTESA-N 1 0 473.687 3.760 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)C[C@@H]1C ZINC001313930928 1071591054 /nfs/dbraw/zinc/59/10/54/1071591054.db2.gz OHIDDHAUIJVCPS-OALUTQOASA-N 1 0 467.593 3.597 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)C)cc2)C[C@@H]1C ZINC001313931498 1071592827 /nfs/dbraw/zinc/59/28/27/1071592827.db2.gz FATPEZOROUPNHH-LVXARBLLSA-N 1 0 471.646 3.685 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313931574 1071592848 /nfs/dbraw/zinc/59/28/48/1071592848.db2.gz FSCRNTKQSLTWRP-MRXNPFEDSA-N 1 0 471.403 3.690 20 0 JHADRO COC(=O)[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001315090192 1071593556 /nfs/dbraw/zinc/59/35/56/1071593556.db2.gz FSHPHMUWICIQEL-QKKBWIMNSA-N 1 0 484.453 3.689 20 0 JHADRO COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001315090196 1071593595 /nfs/dbraw/zinc/59/35/95/1071593595.db2.gz FSHPHMUWICIQEL-SZNDQCEHSA-N 1 0 484.453 3.689 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(C)nnc3N(C)[C@@H](C)c3ccc(F)c(F)c3)cn2)CC1 ZINC001313931959 1071594332 /nfs/dbraw/zinc/59/43/32/1071594332.db2.gz DYJNZRJKEUDUKF-KRWDZBQOSA-N 1 0 455.557 3.647 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@H](C)COC)C[C@H]1C ZINC001313933700 1071598957 /nfs/dbraw/zinc/59/89/57/1071598957.db2.gz QATQFYMWVSWOTR-VQTJNVASSA-N 1 0 453.587 3.930 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2csc(C)n2)C[C@@H]1C ZINC001313933705 1071599255 /nfs/dbraw/zinc/59/92/55/1071599255.db2.gz MTKQQUOXQXWTMI-ZDUSSCGKSA-N 1 0 464.437 3.574 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCSC(F)(F)F)C[C@@H]1C ZINC001313933673 1071599312 /nfs/dbraw/zinc/59/93/12/1071599312.db2.gz MIYDNCBYEZDRTC-NSHDSACASA-N 1 0 467.359 3.819 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOc2ncccc2Cl)C[C@H]1C ZINC001313933830 1071599581 /nfs/dbraw/zinc/59/95/81/1071599581.db2.gz MAPPXUXFHGFFNN-LJQANCHMSA-N 1 0 498.031 3.805 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)C)nnc3N(C)C[C@H](C)c3nccs3)cn2)CC1 ZINC001313934431 1071602460 /nfs/dbraw/zinc/60/24/60/1071602460.db2.gz RENWDXXGHQYARV-FQEVSTJZSA-N 1 0 482.702 3.758 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](OC)C(C)C)C[C@@H]1C ZINC001313935087 1071604774 /nfs/dbraw/zinc/60/47/74/1071604774.db2.gz WFAJNGVLBVZBKE-JXFKEZNVSA-N 1 0 480.451 3.918 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2cccs2)C[C@H]1C ZINC001313935671 1071606553 /nfs/dbraw/zinc/60/65/53/1071606553.db2.gz YPCWSYPHXWVAAI-LJQANCHMSA-N 1 0 452.628 3.982 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C[C@H]1C ZINC001313935687 1071606656 /nfs/dbraw/zinc/60/66/56/1071606656.db2.gz YZRRTKPMQRSVHW-QAPCUYQASA-N 1 0 470.515 3.568 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCCOC)C[C@@H]1C ZINC001313936526 1071608615 /nfs/dbraw/zinc/60/86/15/1071608615.db2.gz PPLOAVGSIHSPTG-INIZCTEOSA-N 1 0 466.424 3.673 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(F)F)C[C@H]1C ZINC001313936741 1071609106 /nfs/dbraw/zinc/60/91/06/1071609106.db2.gz IDCKIILHXGFZGE-QZTJIDSGSA-N 1 0 470.609 3.968 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)c2nccs2)C[C@@H]1C ZINC001313937097 1071610155 /nfs/dbraw/zinc/61/01/55/1071610155.db2.gz SFVQKULRXLAFOP-SJORKVTESA-N 1 0 456.616 3.753 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@](C)(O)C2CC2)C[C@@H]1C ZINC001313937447 1071610288 /nfs/dbraw/zinc/61/02/88/1071610288.db2.gz ULJPUIWKPJXJSA-QKKBWIMNSA-N 1 0 466.399 3.538 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313937333 1071610825 /nfs/dbraw/zinc/61/08/25/1071610825.db2.gz LGAFCXCNSVPJBE-INIZCTEOSA-N 1 0 452.525 3.959 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)cc2C)C[C@H]1C ZINC001313937388 1071610907 /nfs/dbraw/zinc/61/09/07/1071610907.db2.gz MBBWRLTXJKZHRV-FYYLOGMGSA-N 1 0 498.672 3.782 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313939479 1071613454 /nfs/dbraw/zinc/61/34/54/1071613454.db2.gz BEOABMNIJWZWDD-IFMALSPDSA-N 1 0 478.607 3.868 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2nccs2)C[C@H]1C ZINC001313941431 1071616839 /nfs/dbraw/zinc/61/68/39/1071616839.db2.gz CWPUOMNFPVSCKA-OAHLLOKOSA-N 1 0 477.432 3.655 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCCC2(C)C)C[C@@H]1C ZINC001313942025 1071618792 /nfs/dbraw/zinc/61/87/92/1071618792.db2.gz GYQCPDDAFZWONT-LVXARBLLSA-N 1 0 455.647 3.946 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2Cc2cc(C(C)(C)C)no2)C[C@H]1C ZINC001313942029 1071619042 /nfs/dbraw/zinc/61/90/42/1071619042.db2.gz HCEFIULUWZMILA-LJQANCHMSA-N 1 0 452.603 3.764 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC(C)C)c2ccccc2OC)C[C@H]1C ZINC001313942077 1071619700 /nfs/dbraw/zinc/61/97/00/1071619700.db2.gz YXXJWCYICIUQNZ-PXDATVDWSA-N 1 0 478.641 3.969 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccc(OC)c2)C[C@H]1C ZINC001313942503 1071620163 /nfs/dbraw/zinc/62/01/63/1071620163.db2.gz IREBHFPKNIRKRG-NRSPTQNISA-N 1 0 484.645 3.636 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001313942643 1071620875 /nfs/dbraw/zinc/62/08/75/1071620875.db2.gz JOABDOGGDOEKID-GMAHTHKFSA-N 1 0 498.716 3.688 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2csc(COC)n2)C[C@H]1C ZINC001313943303 1071622647 /nfs/dbraw/zinc/62/26/47/1071622647.db2.gz RICXDBXSCLIEMM-LJQANCHMSA-N 1 0 470.643 3.656 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2ccc(OC)cc2)C[C@H]1C ZINC001313943646 1071623723 /nfs/dbraw/zinc/62/37/23/1071623723.db2.gz UJYFONDYXDAHFU-QTEQDKRBSA-N 1 0 471.646 3.519 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313947302 1071630951 /nfs/dbraw/zinc/63/09/51/1071630951.db2.gz VTZRGVSPCOEVFS-FQEVSTJZSA-N 1 0 486.661 3.713 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3CCCCSC)C2)CC1 ZINC001313947921 1071632731 /nfs/dbraw/zinc/63/27/31/1071632731.db2.gz DIHJSGNPSFAXMC-IBGZPJMESA-N 1 0 478.657 3.507 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C ZINC001313947734 1071632767 /nfs/dbraw/zinc/63/27/67/1071632767.db2.gz YHWARVZLRFXJRI-IBGZPJMESA-N 1 0 486.636 3.938 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccccc4OC)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313948770 1071634052 /nfs/dbraw/zinc/63/40/52/1071634052.db2.gz RONRTNTVGUDWBA-REWPJTCUSA-N 1 0 486.730 3.948 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC001313948087 1071633291 /nfs/dbraw/zinc/63/32/91/1071633291.db2.gz BPKIHFWNYIPYMP-IBGZPJMESA-N 1 0 496.626 3.732 20 0 JHADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCC(O)(c3ccccc3Cl)CC2)CC1 ZINC001313950632 1071639334 /nfs/dbraw/zinc/63/93/34/1071639334.db2.gz BCVNEAMEFXPPIY-UHFFFAOYSA-N 1 0 489.108 3.961 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccccc3F)nnc2N(C)CC(C)(C)C)CC1 ZINC001313950655 1071639346 /nfs/dbraw/zinc/63/93/46/1071639346.db2.gz BOHSFEMLCKTQIN-HXUWFJFHSA-N 1 0 460.642 3.752 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313949104 1071635219 /nfs/dbraw/zinc/63/52/19/1071635219.db2.gz HQLGZCFDTFUJAJ-UFYCRDLUSA-N 1 0 476.616 3.912 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccc(Cl)cc4)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001313949670 1071636859 /nfs/dbraw/zinc/63/68/59/1071636859.db2.gz NRKCOVFGENWZNC-GOTSBHOMSA-N 1 0 489.108 3.800 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)Cc2cccs2)CC1 ZINC001313950042 1071637648 /nfs/dbraw/zinc/63/76/48/1071637648.db2.gz MBPHEARBMMMCES-HXUWFJFHSA-N 1 0 468.671 3.925 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2nccc(C(F)(F)F)n2)C[C@H]1C ZINC001313950835 1071639997 /nfs/dbraw/zinc/63/99/97/1071639997.db2.gz XQIAQOXXJQSSJV-GOSISDBHSA-N 1 0 489.546 3.747 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001313950665 1071639323 /nfs/dbraw/zinc/63/93/23/1071639323.db2.gz BUFKIKOQXBYWTB-WMZHIEFXSA-N 1 0 490.643 3.705 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001313951332 1071641819 /nfs/dbraw/zinc/64/18/19/1071641819.db2.gz GFWDJXYQJPGKDN-OALUTQOASA-N 1 0 492.510 3.936 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCC(c3ccccc3CO)CC2)CC1 ZINC001313951475 1071642298 /nfs/dbraw/zinc/64/22/98/1071642298.db2.gz UIAFHYUDMZBXCK-QFIPXVFZSA-N 1 0 468.690 3.551 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313951651 1071642962 /nfs/dbraw/zinc/64/29/62/1071642962.db2.gz APPULZLDTPQSAQ-LEWJYISDSA-N 1 0 465.621 3.950 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001313952503 1071645751 /nfs/dbraw/zinc/64/57/51/1071645751.db2.gz FNVCFSGYAVUYQE-DENIHFKCSA-N 1 0 475.081 3.733 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001313952506 1071645850 /nfs/dbraw/zinc/64/58/50/1071645850.db2.gz FNVCFSGYAVUYQE-UGKGYDQZSA-N 1 0 475.081 3.733 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001313952975 1071647149 /nfs/dbraw/zinc/64/71/49/1071647149.db2.gz JCSGZQFTIZSOOT-OAQYLSRUSA-N 1 0 472.653 3.752 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC3CCCC3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC001313953735 1071649584 /nfs/dbraw/zinc/64/95/84/1071649584.db2.gz JDYWYKVTJWGFLB-OAQYLSRUSA-N 1 0 499.670 3.501 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@H]3CCOC3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC001313954130 1071650586 /nfs/dbraw/zinc/65/05/86/1071650586.db2.gz OBTQAUCXBWMOIU-UXHICEINSA-N 1 0 476.616 3.675 20 0 JHADRO CCN1CC[NH+](CCCCn2c(N3CCN(c4ccc(C)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313954128 1071650657 /nfs/dbraw/zinc/65/06/57/1071650657.db2.gz OBJOOTVRIXZQMZ-UHFFFAOYSA-N 1 0 467.706 3.628 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313954481 1071651762 /nfs/dbraw/zinc/65/17/62/1071651762.db2.gz OSYMRYVGDSXFLW-FQEVSTJZSA-N 1 0 478.110 3.743 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313954623 1071652398 /nfs/dbraw/zinc/65/23/98/1071652398.db2.gz QJLFBAGSMYFMFK-FQEVSTJZSA-N 1 0 461.605 3.548 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001313954694 1071652416 /nfs/dbraw/zinc/65/24/16/1071652416.db2.gz PCLQTGJNWJEEEB-OAQYLSRUSA-N 1 0 467.637 3.723 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313955051 1071654086 /nfs/dbraw/zinc/65/40/86/1071654086.db2.gz DTOWZLMPBFKJFQ-FPOVZHCZSA-N 1 0 478.607 3.763 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC3CCCC3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313955027 1071654282 /nfs/dbraw/zinc/65/42/82/1071654282.db2.gz DJYITGONVRNODR-QKNQBKEWSA-N 1 0 470.628 3.919 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3ccc(OC)cc3C2)CC1 ZINC001313957968 1071662441 /nfs/dbraw/zinc/66/24/41/1071662441.db2.gz SXDJOCFFCVTINS-OAQYLSRUSA-N 1 0 468.690 3.712 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313957249 1071659468 /nfs/dbraw/zinc/65/94/68/1071659468.db2.gz PYRZAQPIAZCPJO-YADHBBJMSA-N 1 0 490.643 3.921 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC[C@@H](C)C2)CC1 ZINC001313957111 1071659542 /nfs/dbraw/zinc/65/95/42/1071659542.db2.gz OTBGJMHSZJEXQT-DNQXCXABSA-N 1 0 452.691 3.963 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCC(F)(F)C2)CC1 ZINC001313957630 1071660750 /nfs/dbraw/zinc/66/07/50/1071660750.db2.gz RBAKKJOZZVYXAW-FQEVSTJZSA-N 1 0 476.616 3.593 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccccc3Br)nnc2N(C)CC(C)C)CC1 ZINC001313957854 1071661832 /nfs/dbraw/zinc/66/18/32/1071661832.db2.gz LCHNYCBMSXGFAX-UHFFFAOYSA-N 1 0 463.468 3.827 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001313958926 1071665269 /nfs/dbraw/zinc/66/52/69/1071665269.db2.gz YVKWRMLIGBOFMX-VABKMULXSA-N 1 0 486.730 3.769 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccccc2)CC1 ZINC001313959121 1071665737 /nfs/dbraw/zinc/66/57/37/1071665737.db2.gz ZSVVSOOOENOLRC-OAQYLSRUSA-N 1 0 452.672 3.840 20 0 JHADRO CC[NH+]1CCN(CCCn2c(N3CC[C@@H](Oc4ccccc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001313959271 1071666216 /nfs/dbraw/zinc/66/62/16/1071666216.db2.gz OJHWULQSTMEITR-HXUWFJFHSA-N 1 0 475.081 3.914 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2cccc(Br)c2)CC1 ZINC001313959571 1071666754 /nfs/dbraw/zinc/66/67/54/1071666754.db2.gz WQIBSQTZGRRVFQ-OAQYLSRUSA-N 1 0 491.478 3.556 20 0 JHADRO CCn1nc(-c2nnc(N(C)CCC(F)(F)F)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001313959917 1071668153 /nfs/dbraw/zinc/66/81/53/1071668153.db2.gz CKYUVEZWJDKOLB-UHFFFAOYSA-N 1 0 479.551 3.651 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)ccc3C)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313960113 1071669306 /nfs/dbraw/zinc/66/93/06/1071669306.db2.gz DUGJTBDFAAODIN-UHFFFAOYSA-N 1 0 486.730 3.833 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313960647 1071670494 /nfs/dbraw/zinc/67/04/94/1071670494.db2.gz MLKGTWYNPYZVGU-LJQANCHMSA-N 1 0 492.510 3.936 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313960797 1071671148 /nfs/dbraw/zinc/67/11/48/1071671148.db2.gz MQXMTRKIEGMZQD-FQEVSTJZSA-N 1 0 483.611 3.767 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001313961013 1071671718 /nfs/dbraw/zinc/67/17/18/1071671718.db2.gz OQMULJHKKDNAOI-DHIUTWEWSA-N 1 0 486.730 3.832 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001313961509 1071672750 /nfs/dbraw/zinc/67/27/50/1071672750.db2.gz UPOFIOPBFFVETF-QFQXNSOFSA-N 1 0 488.652 3.590 20 0 JHADRO CCn1nc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001313964194 1071680053 /nfs/dbraw/zinc/68/00/53/1071680053.db2.gz XYZFQKTXZUNCQZ-GOSISDBHSA-N 1 0 463.630 3.808 20 0 JHADRO CCn1nc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC(C)(C)CCOC)c2ccccc2c1=O ZINC001313965862 1071685230 /nfs/dbraw/zinc/68/52/30/1071685230.db2.gz GDRUQZVSHXZBOJ-UHFFFAOYSA-N 1 0 495.672 3.658 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001313971543 1071696556 /nfs/dbraw/zinc/69/65/56/1071696556.db2.gz NPVQPTVXWXIUDB-UHFFFAOYSA-N 1 0 481.689 3.903 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313972652 1071699114 /nfs/dbraw/zinc/69/91/14/1071699114.db2.gz MPDMURRGTQUXSH-UHFFFAOYSA-N 1 0 484.689 3.892 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313974075 1071701960 /nfs/dbraw/zinc/70/19/60/1071701960.db2.gz OLVGFWDPYPTBSL-NZQKXSOJSA-N 1 0 466.674 3.882 20 0 JHADRO CCNC(=O)C1(Cn2c(-c3cccc(OC)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCC1 ZINC001313976229 1071707593 /nfs/dbraw/zinc/70/75/93/1071707593.db2.gz ZSPVDKNEUHTKFJ-UHFFFAOYSA-N 1 0 482.673 3.818 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001314007106 1071742896 /nfs/dbraw/zinc/74/28/96/1071742896.db2.gz CTAISLFPGXSZNN-SIKLNZKXSA-N 1 0 456.635 3.827 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C)n2CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001314007932 1071743840 /nfs/dbraw/zinc/74/38/40/1071743840.db2.gz JXYMQMNOZFQKCW-OFNKIYASSA-N 1 0 468.646 3.944 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001314016116 1071758691 /nfs/dbraw/zinc/75/86/91/1071758691.db2.gz JAICNLORXLANRZ-RTBURBONSA-N 1 0 476.647 3.551 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+](C)C(C)C)CC1 ZINC001314016145 1071758728 /nfs/dbraw/zinc/75/87/28/1071758728.db2.gz JVWWEJDUZNRKNH-FGZHOGPDSA-N 1 0 492.709 3.984 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCCCCC2)CC1 ZINC001314019801 1071769549 /nfs/dbraw/zinc/76/95/49/1071769549.db2.gz NOGGCKJJNBVSJD-UHFFFAOYSA-N 1 0 461.010 3.753 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001314022520 1071776298 /nfs/dbraw/zinc/77/62/98/1071776298.db2.gz BMUPAKYSZYIPHB-QFIPXVFZSA-N 1 0 498.672 3.909 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001314022782 1071777056 /nfs/dbraw/zinc/77/70/56/1071777056.db2.gz QHMWSMHKTQBFFV-OAQYLSRUSA-N 1 0 486.020 3.518 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001314023478 1071779059 /nfs/dbraw/zinc/77/90/59/1071779059.db2.gz VIWUWBYRIHAOFZ-IBGZPJMESA-N 1 0 475.037 3.999 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001314024097 1071781325 /nfs/dbraw/zinc/78/13/25/1071781325.db2.gz BSFDYLTTZBSNKH-UHFFFAOYSA-N 1 0 474.625 3.795 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001314024652 1071783291 /nfs/dbraw/zinc/78/32/91/1071783291.db2.gz HLYNTMUXQWGXCG-FQEVSTJZSA-N 1 0 486.617 3.651 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C1 ZINC001314032045 1071808368 /nfs/dbraw/zinc/80/83/68/1071808368.db2.gz AHBHQUYBIYQUAR-WOJBJXKFSA-N 1 0 488.608 3.758 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCC2)C1 ZINC001314032374 1071808895 /nfs/dbraw/zinc/80/88/95/1071808895.db2.gz KGYDRCZQAYPCOL-QGZVFWFLSA-N 1 0 479.000 3.937 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc([C@H](C)CC)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001314032557 1071809978 /nfs/dbraw/zinc/80/99/78/1071809978.db2.gz BKYBFQWLIZYTFU-MJGOQNOKSA-N 1 0 460.648 3.626 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+](C)CCOC)C1 ZINC001314034259 1071816730 /nfs/dbraw/zinc/81/67/30/1071816730.db2.gz RODOLAVPHKWSQY-QFIPXVFZSA-N 1 0 486.661 3.536 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314034601 1071818737 /nfs/dbraw/zinc/81/87/37/1071818737.db2.gz VRJATNNYSLBBAK-PMACEKPBSA-N 1 0 471.650 3.509 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001314035644 1071823607 /nfs/dbraw/zinc/82/36/07/1071823607.db2.gz LGXNPHQHKXUVPT-RJGXRXQPSA-N 1 0 497.688 3.717 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001314036508 1071827356 /nfs/dbraw/zinc/82/73/56/1071827356.db2.gz GLEDMZVZZIKSRX-JTHBVZDNSA-N 1 0 498.672 3.714 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001314036054 1071825214 /nfs/dbraw/zinc/82/52/14/1071825214.db2.gz ZFWFAWIEGZRVEE-IRLDBZIGSA-N 1 0 484.645 3.789 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCC(C)CC2)C1 ZINC001314037798 1071831905 /nfs/dbraw/zinc/83/19/05/1071831905.db2.gz NPNJCBFEGSLRNF-LJQANCHMSA-N 1 0 490.599 3.594 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CCC2CC[NH+](CC)CC2)C1 ZINC001314038179 1071832980 /nfs/dbraw/zinc/83/29/80/1071832980.db2.gz PNYBPRYTFUYEHL-HSZRJFAPSA-N 1 0 498.672 3.714 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001314039278 1071837959 /nfs/dbraw/zinc/83/79/59/1071837959.db2.gz VWVNCOWQSQSMLD-SFTDATJTSA-N 1 0 484.576 3.619 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001314039630 1071839079 /nfs/dbraw/zinc/83/90/79/1071839079.db2.gz JVUURYMHQMOOHM-QFIPXVFZSA-N 1 0 482.673 3.681 20 0 JHADRO CCOC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001314043471 1071852865 /nfs/dbraw/zinc/85/28/65/1071852865.db2.gz FYSQSLCTZODIHU-HSZRJFAPSA-N 1 0 455.647 3.936 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001314044153 1071855830 /nfs/dbraw/zinc/85/58/30/1071855830.db2.gz RDWYMMOVQGIIGB-FGZHOGPDSA-N 1 0 484.645 3.755 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001314044157 1071855960 /nfs/dbraw/zinc/85/59/60/1071855960.db2.gz RDWYMMOVQGIIGB-YADHBBJMSA-N 1 0 484.645 3.755 20 0 JHADRO CCOC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001314043923 1071854791 /nfs/dbraw/zinc/85/47/91/1071854791.db2.gz PANRHKYXQGLGEP-FQEVSTJZSA-N 1 0 457.619 3.842 20 0 JHADRO CCO[C@H](Cn1c(C)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccccc1 ZINC001314073072 1071926229 /nfs/dbraw/zinc/92/62/29/1071926229.db2.gz GGIURFZBBRXVCD-QPTUXGOLSA-N 1 0 451.619 3.617 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@H](C)c3ccc(OC)cc3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC001314074484 1071929672 /nfs/dbraw/zinc/92/96/72/1071929672.db2.gz KXVKIPXDHQYDOK-UKDVSSAZSA-N 1 0 489.686 3.574 20 0 JHADRO CCO[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccccc1 ZINC001314074588 1071929755 /nfs/dbraw/zinc/92/97/55/1071929755.db2.gz MMVPHAMOXWECGG-QFIPXVFZSA-N 1 0 477.613 3.670 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3F)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001314074926 1071930356 /nfs/dbraw/zinc/93/03/56/1071930356.db2.gz NYPJYMBZDAJRFU-CJFMBICVSA-N 1 0 459.610 3.999 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@@H]2CC[N@H+](CC)C2)CCOC1 ZINC001314080836 1071942512 /nfs/dbraw/zinc/94/25/12/1071942512.db2.gz GNOBKVXXTLCPOX-XXBNENTESA-N 1 0 481.563 3.927 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001314084316 1071951347 /nfs/dbraw/zinc/95/13/47/1071951347.db2.gz WTTZTAROLKZOCI-NLFFAJNJSA-N 1 0 492.064 3.721 20 0 JHADRO 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QVNXUIDCVFXQTL-BJKOFHAPSA-N 1 0 465.646 3.642 20 0 JHADRO CCc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1Cc1cccc(C[NH+](CC)CC)c1 ZINC001306223704 1068610264 /nfs/dbraw/zinc/61/02/64/1068610264.db2.gz UFUOXBDVMBSUGP-UHFFFAOYSA-N 1 0 473.687 3.668 20 0 JHADRO CCc1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001306228366 1068613147 /nfs/dbraw/zinc/61/31/47/1068613147.db2.gz SPAZZOKWYVFMAF-CEXWTWQISA-N 1 0 460.648 3.508 20 0 JHADRO CCc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001306230997 1068616932 /nfs/dbraw/zinc/61/69/32/1068616932.db2.gz UWIGAXFDNSIFEY-NHCUHLMSSA-N 1 0 460.667 3.846 20 0 JHADRO CCc1noc(C)c1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001306232162 1068620762 /nfs/dbraw/zinc/62/07/62/1068620762.db2.gz FYMLAPCZTMDLOQ-UHFFFAOYSA-N 1 0 468.602 3.790 20 0 JHADRO CCc1noc(C)c1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001306233630 1068624825 /nfs/dbraw/zinc/62/48/25/1068624825.db2.gz NUKYNMUVPAYJBG-UHFFFAOYSA-N 1 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JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccccc2C)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306248969 1068659516 /nfs/dbraw/zinc/65/95/16/1068659516.db2.gz JXISNLZKCVFWIO-ZRCGQRJVSA-N 1 0 452.647 3.726 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(CC2CCCC2)n1Cc1ccccc1C[NH+](CC)CC ZINC001306254929 1068662273 /nfs/dbraw/zinc/66/22/73/1068662273.db2.gz NQUVOGGLJXGSFZ-HSZRJFAPSA-N 1 0 452.647 3.616 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306261563 1068671982 /nfs/dbraw/zinc/67/19/82/1068671982.db2.gz SQDVAJMMTWYIGJ-KCZVDYSFSA-N 1 0 470.687 3.714 20 0 JHADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001306262763 1068674635 /nfs/dbraw/zinc/67/46/35/1068674635.db2.gz DAWPLEWULJSDIW-DBVUQKKJSA-N 1 0 457.619 3.936 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001306264114 1068676960 /nfs/dbraw/zinc/67/69/60/1068676960.db2.gz JTPRYKBBPSATOT-QKNQBKEWSA-N 1 0 487.645 3.564 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001306280502 1068696045 /nfs/dbraw/zinc/69/60/45/1068696045.db2.gz WGQQICIUPPCOJR-YSFYHYPLSA-N 1 0 490.693 3.943 20 0 JHADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001306282099 1068699227 /nfs/dbraw/zinc/69/92/27/1068699227.db2.gz VWZIMLROAXWTQD-RCCFBDPRSA-N 1 0 456.616 3.790 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001306283398 1068700205 /nfs/dbraw/zinc/70/02/05/1068700205.db2.gz RZCNFRKRGZSOEY-LXHROKJGSA-N 1 0 490.693 3.520 20 0 JHADRO CC[C@@H]1[C@@H](C)CCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001306283394 1068700297 /nfs/dbraw/zinc/70/02/97/1068700297.db2.gz RZCNFRKRGZSOEY-BIRZXAFVSA-N 1 0 490.693 3.520 20 0 JHADRO CC[C@@H]1c2ccsc2CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001306283779 1068700968 /nfs/dbraw/zinc/70/09/68/1068700968.db2.gz 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CCC[C@@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001306527724 1069159661 /nfs/dbraw/zinc/15/96/61/1069159661.db2.gz MLOKPVCEDONOFB-AFMDSPMNSA-N 1 0 471.646 3.824 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001306530644 1069169760 /nfs/dbraw/zinc/16/97/60/1069169760.db2.gz RJQUBYCKSZEYSG-VWLOTQADSA-N 1 0 486.064 3.947 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306531906 1069172932 /nfs/dbraw/zinc/17/29/32/1069172932.db2.gz WSHDZDNTPYNHKB-IGKIAQTJSA-N 1 0 468.690 3.663 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306533954 1069176836 /nfs/dbraw/zinc/17/68/36/1069176836.db2.gz XJNRDBJCPZEUSW-NBGIEHNGSA-N 1 0 475.081 3.754 20 0 JHADRO O=C(Nc1ccc(Cl)cc1OCC(F)F)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001310824124 1069179224 /nfs/dbraw/zinc/17/92/24/1069179224.db2.gz SPOZJDWCZIYWDG-SJLPKXTDSA-N 1 0 453.917 3.988 20 0 JHADRO CCC[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](C)(CC)C1 ZINC001306545303 1069199874 /nfs/dbraw/zinc/19/98/74/1069199874.db2.gz AUQIAOWICTZYFF-SXOMAYOGSA-N 1 0 468.690 3.820 20 0 JHADRO CCC[C@](C)(O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001306545740 1069201968 /nfs/dbraw/zinc/20/19/68/1069201968.db2.gz SYNXFRAQHZPBGU-LTMIRXACSA-N 1 0 492.462 3.844 20 0 JHADRO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001306548540 1069209117 /nfs/dbraw/zinc/20/91/17/1069209117.db2.gz LVPSQTTZWJLETJ-LEWJYISDSA-N 1 0 482.673 3.817 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001310938170 1069228179 /nfs/dbraw/zinc/22/81/79/1069228179.db2.gz PODZPRHVGJEWOT-WMZOPIPTSA-N 1 0 458.525 3.606 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001306558368 1069228151 /nfs/dbraw/zinc/22/81/51/1069228151.db2.gz DLHVBUXVIOHADN-IBGZPJMESA-N 1 0 456.635 3.572 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001306565936 1069233661 /nfs/dbraw/zinc/23/36/61/1069233661.db2.gz GFOUKAOFXSHGAA-JLTOFOAXSA-N 1 0 454.388 3.538 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCC[NH+]1CCC(O)CC1 ZINC001306572052 1069239573 /nfs/dbraw/zinc/23/95/73/1069239573.db2.gz OUMKFEFAVIDGBS-HXUWFJFHSA-N 1 0 495.672 3.708 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001306572818 1069240042 /nfs/dbraw/zinc/24/00/42/1069240042.db2.gz UIGHNAOEAPRYCE-VQTJNVASSA-N 1 0 475.707 3.983 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[NH+]1CCCC1 ZINC001306573323 1069240568 /nfs/dbraw/zinc/24/05/68/1069240568.db2.gz YCKWDZRBEGNHKS-LJQANCHMSA-N 1 0 451.619 3.957 20 0 JHADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)C1 ZINC001310990043 1069242268 /nfs/dbraw/zinc/24/22/68/1069242268.db2.gz XQCSFBLCZTXQMT-LJQANCHMSA-N 1 0 459.612 3.664 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001306581401 1069245959 /nfs/dbraw/zinc/24/59/59/1069245959.db2.gz PNMQNRBAYMZGNU-HXUWFJFHSA-N 1 0 492.709 3.864 20 0 JHADRO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC2([NH+](C)C)CCC2)C1 ZINC001306585040 1069250713 /nfs/dbraw/zinc/25/07/13/1069250713.db2.gz KWMINYWWXMMPSC-CTNGQTDRSA-N 1 0 467.662 3.654 20 0 JHADRO Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC001306586027 1069252898 /nfs/dbraw/zinc/25/28/98/1069252898.db2.gz UKXFKODYZFODFU-UHFFFAOYSA-N 1 0 451.483 3.768 20 0 JHADRO CCC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)OC ZINC001306593214 1069263489 /nfs/dbraw/zinc/26/34/89/1069263489.db2.gz OPHWMCXJMSHIQN-HKBOAZHASA-N 1 0 476.666 3.840 20 0 JHADRO CCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC001306600886 1069276536 /nfs/dbraw/zinc/27/65/36/1069276536.db2.gz WNZTXYBWLGLUEP-RTWAWAEBSA-N 1 0 488.702 3.569 20 0 JHADRO COc1cccc(OC(F)(F)F)c1NC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001311116857 1069277685 /nfs/dbraw/zinc/27/76/85/1069277685.db2.gz PASLEIXYTNRQHD-UHFFFAOYSA-N 1 0 452.477 3.663 20 0 JHADRO CCOC(=O)[C@H](CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)Cc1ccccc1 ZINC001311163814 1069287256 /nfs/dbraw/zinc/28/72/56/1069287256.db2.gz QHLHNYJNIHDJPJ-XUZZJYLKSA-N 1 0 450.583 3.515 20 0 JHADRO CN(C[C@H]1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1)C(=O)OC(C)(C)C ZINC001311164134 1069287292 /nfs/dbraw/zinc/28/72/92/1069287292.db2.gz UVJZDJNKOPKOBN-DENIHFKCSA-N 1 0 457.619 3.692 20 0 JHADRO Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC001311189344 1069292962 /nfs/dbraw/zinc/29/29/62/1069292962.db2.gz KUIMHTIIQBWZNY-IBGZPJMESA-N 1 0 450.505 3.733 20 0 JHADRO CC(C)(C)[NH2+]CCNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001306613980 1069293276 /nfs/dbraw/zinc/29/32/76/1069293276.db2.gz GROKBLRPUBCSMM-UHFFFAOYSA-N 1 0 458.411 3.841 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cn3ccc(C)cc3n2)CC[N@@H+]1CCOC ZINC001306616651 1069298237 /nfs/dbraw/zinc/29/82/37/1069298237.db2.gz HJNJROSSRSEIMU-OAQYLSRUSA-N 1 0 453.635 3.517 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C)OC)CC[N@@H+]1CCOC ZINC001306616563 1069298273 /nfs/dbraw/zinc/29/82/73/1069298273.db2.gz IDKZXJMOKWEKMR-AEFFLSMTSA-N 1 0 498.441 3.819 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001306616910 1069298962 /nfs/dbraw/zinc/29/89/62/1069298962.db2.gz KDXDOHKELUDTBX-OAQYLSRUSA-N 1 0 491.080 3.698 20 0 JHADRO C[N@@H+]1CCN(CCNC(=O)Nc2ccc(Oc3ccc(Cl)nn3)c(Cl)c2)CC1(C)C ZINC001311214017 1069299666 /nfs/dbraw/zinc/29/96/66/1069299666.db2.gz RBZZUGBOLFHEKB-UHFFFAOYSA-N 1 0 453.374 3.723 20 0 JHADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(C(F)(F)F)c(I)c3)[C@@H]2C1 ZINC001311219898 1069300751 /nfs/dbraw/zinc/30/07/51/1069300751.db2.gz PFWZRDUJSZZMIE-IINYFYTJSA-N 1 0 453.246 3.868 20 0 JHADRO CCC[C@H]1CN(c2nnc(C(C)(C)C)n2CCCN(C)C(=O)OC(C)(C)C)CC[N@@H+]1CCOC ZINC001306620044 1069305314 /nfs/dbraw/zinc/30/53/14/1069305314.db2.gz WUKMBTBVGNFQIO-FQEVSTJZSA-N 1 0 480.698 3.770 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2ccccc2Cl)CC[N@@H+]1CCOC ZINC001306620417 1069307052 /nfs/dbraw/zinc/30/70/52/1069307052.db2.gz GMTYMGSUIDSKMF-HFZDXXHNSA-N 1 0 499.059 3.838 20 0 JHADRO CCC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(C(C)(C)O)cc2)CC[N@@H+]1CCOC ZINC001306620673 1069307674 /nfs/dbraw/zinc/30/76/74/1069307674.db2.gz ZSYKWTOTCBLVPG-QFIPXVFZSA-N 1 0 457.663 3.788 20 0 JHADRO CCOc1c(Br)cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000020476729 520591088 /nfs/dbraw/zinc/59/10/88/520591088.db2.gz QLABRQSTZLDCEB-UHFFFAOYSA-N 1 0 492.233 3.590 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cccc3c(Cl)ncnc31)C2 ZINC001164617219 719010525 /nfs/dbraw/zinc/01/05/25/719010525.db2.gz NDQXPITUDBAAFS-VGSWGCGISA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164617381 719011906 /nfs/dbraw/zinc/01/19/06/719011906.db2.gz NSOPPLHNROLCFC-KKSFZXQISA-N 1 0 486.947 3.521 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c3ccn4Cc3cccc(F)c3)CC2)CC1 ZINC001164617827 719027959 /nfs/dbraw/zinc/02/79/59/719027959.db2.gz PRLWIYWKNWXTAX-UHFFFAOYSA-N 1 0 465.573 3.863 20 0 JHADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164624763 719045142 /nfs/dbraw/zinc/04/51/42/719045142.db2.gz OWSKSSACKCGADV-GCJKJVERSA-N 1 0 462.928 3.825 20 0 JHADRO CCOC(=O)c1cnc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164618233 719056043 /nfs/dbraw/zinc/05/60/43/719056043.db2.gz AFNDANMGQHQQGT-SJLPKXTDSA-N 1 0 450.917 3.952 20 0 JHADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164621091 719069906 /nfs/dbraw/zinc/06/99/06/719069906.db2.gz GZELOZQKRUJYLB-ZJSXRUAMSA-N 1 0 473.602 3.769 20 0 JHADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625144 719090353 /nfs/dbraw/zinc/09/03/53/719090353.db2.gz GWHAYERUZSLNBK-KNQAVFIVSA-N 1 0 450.583 3.954 20 0 JHADRO O=C(CC1CC1)N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@H]21 ZINC001164652600 719324449 /nfs/dbraw/zinc/32/44/49/719324449.db2.gz CLUAJMYCKKADSQ-RGODFAACSA-N 1 0 460.622 3.540 20 0 JHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001164656004 719328124 /nfs/dbraw/zinc/32/81/24/719328124.db2.gz SXLXJJFOSLLRCV-UHFFFAOYSA-N 1 0 487.942 3.632 20 0 JHADRO Cc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1NCC1CC1 ZINC001164683007 719655114 /nfs/dbraw/zinc/65/51/14/719655114.db2.gz UNXLVLXXESPZLC-JOCHJYFZSA-N 1 0 476.669 3.700 20 0 JHADRO COC(=O)c1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)c1 ZINC001164680246 719655233 /nfs/dbraw/zinc/65/52/33/719655233.db2.gz DNDLXQJHGXRQAU-GOSISDBHSA-N 1 0 485.028 3.615 20 0 JHADRO COC(=O)c1cnc(Cl)cc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164679946 719656729 /nfs/dbraw/zinc/65/67/29/719656729.db2.gz BDKNZZQHRSSHIP-GOSISDBHSA-N 1 0 485.028 3.615 20 0 JHADRO COC(=O)c1cc(Cl)cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681711 719658543 /nfs/dbraw/zinc/65/85/43/719658543.db2.gz QKDXGDFFLNXVFD-GOSISDBHSA-N 1 0 485.028 3.615 20 0 JHADRO COC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681659 719658558 /nfs/dbraw/zinc/65/85/58/719658558.db2.gz POJPDHJMRBIADI-LJQANCHMSA-N 1 0 485.028 3.615 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)ncc3Cl)CC2)c2ccccc21 ZINC001164681449 719658587 /nfs/dbraw/zinc/65/85/87/719658587.db2.gz PJZZNWYUHSVLOZ-INIZCTEOSA-N 1 0 462.425 3.877 20 0 JHADRO COC(=O)c1cc(Cl)cnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681712 719658745 /nfs/dbraw/zinc/65/87/45/719658745.db2.gz QKDXGDFFLNXVFD-SFHVURJKSA-N 1 0 485.028 3.615 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4c3CCC4)CC2)c2ccccc21 ZINC001164684572 719659630 /nfs/dbraw/zinc/65/96/30/719659630.db2.gz YBOIWPWLAHCGJP-SFHVURJKSA-N 1 0 468.045 3.712 20 0 JHADRO CCOC(=O)c1cc(C)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681671 719661486 /nfs/dbraw/zinc/66/14/86/719661486.db2.gz PWECGZWIRQMBTL-NRFANRHFSA-N 1 0 478.637 3.660 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnc(-c4ccco4)cn3)CC2)c2ccccc21 ZINC001164685792 719666346 /nfs/dbraw/zinc/66/63/46/719666346.db2.gz WCADSSQHNLBTGN-FQEVSTJZSA-N 1 0 459.594 3.830 20 0 JHADRO COc1cccc2cnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc21 ZINC001164681603 719670342 /nfs/dbraw/zinc/67/03/42/719670342.db2.gz NLGXKLQZOITCRO-OAQYLSRUSA-N 1 0 473.621 3.732 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nnc(Cl)c4ccoc43)CC2)c2ccccc21 ZINC001164680306 719673080 /nfs/dbraw/zinc/67/30/80/719673080.db2.gz CSWARAFKQJNZLN-KRWDZBQOSA-N 1 0 468.001 3.970 20 0 JHADRO COc1cc2c(cc1F)ncnc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164686973 719673531 /nfs/dbraw/zinc/67/35/31/719673531.db2.gz ZFLXHWATSCMGNK-IBGZPJMESA-N 1 0 491.611 3.871 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nnc(Cl)c4ccoc43)CC2)c2ccccc21 ZINC001164680309 719673573 /nfs/dbraw/zinc/67/35/73/719673573.db2.gz CSWARAFKQJNZLN-QGZVFWFLSA-N 1 0 468.001 3.970 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cncc(N4CCCCCC4)n3)CC2)c2ccccc21 ZINC001164686828 719680221 /nfs/dbraw/zinc/68/02/21/719680221.db2.gz XEZGICAUPQTYCY-HSZRJFAPSA-N 1 0 490.696 3.950 20 0 JHADRO CCc1cc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686597 719681536 /nfs/dbraw/zinc/68/15/36/719681536.db2.gz OYACEQMWRJQIRD-GOSISDBHSA-N 1 0 456.034 3.786 20 0 JHADRO Fc1cccnc1N(c1nc(Cl)nc2c1CN(Cc1ccccc1)C2)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164690799 719761244 /nfs/dbraw/zinc/76/12/44/719761244.db2.gz ILVHZGIIYREZBA-CJAUYULYSA-N 1 0 480.975 3.839 20 0 JHADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164697468 719896976 /nfs/dbraw/zinc/89/69/76/719896976.db2.gz KCMRJGWDFKKAEU-UHFFFAOYSA-N 1 0 471.957 3.999 20 0 JHADRO Cc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(NC(=O)c2ccccc2)n1 ZINC001164706606 719902842 /nfs/dbraw/zinc/90/28/42/719902842.db2.gz JCVIOIKUDUPXJN-UHFFFAOYSA-N 1 0 463.607 3.970 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)C2 ZINC001164807919 720094115 /nfs/dbraw/zinc/09/41/15/720094115.db2.gz GLJANYJKUXJWJM-NBGIEHNGSA-N 1 0 467.017 3.713 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2 ZINC001164718538 720114481 /nfs/dbraw/zinc/11/44/81/720114481.db2.gz RWQZUUGAPAVWPF-AREMUKBSSA-N 1 0 498.675 3.937 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)CC2 ZINC001164718542 720114824 /nfs/dbraw/zinc/11/48/24/720114824.db2.gz RXWXCBDNXJENKC-GOSISDBHSA-N 1 0 494.970 3.969 20 0 JHADRO CCOC(=O)/C=C\c1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713561 720128395 /nfs/dbraw/zinc/12/83/95/720128395.db2.gz RZDPOOJEHWVDNH-CRDZDMIISA-N 1 0 450.583 3.560 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)CC2 ZINC001164714053 720140844 /nfs/dbraw/zinc/14/08/44/720140844.db2.gz VTXKDAJGLNHJMS-GOSISDBHSA-N 1 0 494.970 3.969 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nnc1OC)CC2 ZINC001164711255 720156340 /nfs/dbraw/zinc/15/63/40/720156340.db2.gz AJDIJXGXZWBNDQ-QGZVFWFLSA-N 1 0 467.948 3.586 20 0 JHADRO Cn1nnc2c1CCN(c1nc(-c3ccccc3)nc3ccccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164718304 720177705 /nfs/dbraw/zinc/17/77/05/720177705.db2.gz OHULMYABJYNQDJ-DEOSSOPVSA-N 1 0 469.593 3.642 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164811799 720200807 /nfs/dbraw/zinc/20/08/07/720200807.db2.gz KCWZQVTUNIYQCL-UZLBHIALSA-N 1 0 458.937 3.557 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164811793 720200844 /nfs/dbraw/zinc/20/08/44/720200844.db2.gz KCWZQVTUNIYQCL-OXJNMPFZSA-N 1 0 458.937 3.557 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc3ccccc3nc1Cl)CCC2 ZINC001164813895 720229002 /nfs/dbraw/zinc/22/90/02/720229002.db2.gz QZIIBXCKGFAORL-UHFFFAOYSA-N 1 0 462.932 3.635 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccccn3)nc3sccc31)CCC2 ZINC001164816543 720241778 /nfs/dbraw/zinc/24/17/78/720241778.db2.gz KDVHBNJHJJQZFZ-UHFFFAOYSA-N 1 0 461.595 3.561 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CCC2 ZINC001164816087 720246299 /nfs/dbraw/zinc/24/62/99/720246299.db2.gz GEWNVFNLGOBSNW-UHFFFAOYSA-N 1 0 451.949 3.662 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c2ccn3Cc2ccc(F)cc2)CC1 ZINC001164827801 720323220 /nfs/dbraw/zinc/32/32/20/720323220.db2.gz ISBLVXCFTFWCEJ-DNQXCXABSA-N 1 0 476.600 3.530 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(-c3ccc(Cl)nn3)ccc2F)CC1 ZINC001164827468 720344631 /nfs/dbraw/zinc/34/46/31/720344631.db2.gz LRRHOTBQCBRKMB-SFTDATJTSA-N 1 0 457.981 3.848 20 0 JHADRO Clc1nc2c(c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n1)CN(Cc1ccccc1)CC2 ZINC001164722684 720346498 /nfs/dbraw/zinc/34/64/98/720346498.db2.gz GLFQFSWEEWBGPY-BJKOFHAPSA-N 1 0 461.013 3.937 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(Cl)(Cl)Oc2ccc(Cl)nc2)CC1 ZINC001164829656 720355394 /nfs/dbraw/zinc/35/53/94/720355394.db2.gz UAWPFJCOEMYFNI-IAGOWNOFSA-N 1 0 461.821 3.610 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2c(Cl)nnc(Cl)c2N2CCCCC2)CC1 ZINC001164821477 720356990 /nfs/dbraw/zinc/35/69/90/720356990.db2.gz ALZXBIKXACJFCN-ROUUACIJSA-N 1 0 481.472 3.685 20 0 JHADRO Cc1nc(CN2CCN(C)C3(CCN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC3)C2=O)cs1 ZINC001164821169 720381083 /nfs/dbraw/zinc/38/10/83/720381083.db2.gz YVPDHTHVUKIJQL-UHFFFAOYSA-N 1 0 490.677 3.913 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)CC[C@@H]21 ZINC001164833385 720519464 /nfs/dbraw/zinc/51/94/64/720519464.db2.gz DLFGJVQHGBRCAR-FKBYEOEOSA-N 1 0 471.049 3.935 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837929 720532640 /nfs/dbraw/zinc/53/26/40/720532640.db2.gz MRBXBGZGKVCSON-IRFCIJBXSA-N 1 0 480.638 3.956 20 0 JHADRO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2N1C1CCCC1 ZINC001164833820 720543853 /nfs/dbraw/zinc/54/38/53/720543853.db2.gz BTGLEYRNJANZLB-NZRJUOQRSA-N 1 0 492.672 3.531 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4n3)CC[C@@H]21 ZINC001164833777 720563997 /nfs/dbraw/zinc/56/39/97/720563997.db2.gz BPYOGOHOXSUAAK-BQFCYCMXSA-N 1 0 461.948 3.797 20 0 JHADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842247 720600619 /nfs/dbraw/zinc/60/06/19/720600619.db2.gz UXVDQTIEFFCXCG-GPMSIDNRSA-N 1 0 467.948 3.641 20 0 JHADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842249 720601414 /nfs/dbraw/zinc/60/14/14/720601414.db2.gz UXVDQTIEFFCXCG-TXPKVOOTSA-N 1 0 467.948 3.641 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838762 720611682 /nfs/dbraw/zinc/61/16/82/720611682.db2.gz LPRSMDMPUXOHDQ-QNWVGRARSA-N 1 0 471.049 3.935 20 0 JHADRO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164738968 720662628 /nfs/dbraw/zinc/66/26/28/720662628.db2.gz LQRJLFGFLWYPFB-XZOQPEGZSA-N 1 0 450.546 3.943 20 0 JHADRO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736796 720699004 /nfs/dbraw/zinc/69/90/04/720699004.db2.gz BGRRXTXVVDSFAX-FGZHOGPDSA-N 1 0 485.979 3.991 20 0 JHADRO Cc1cc(NC(=O)c2cccnc2N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)no1 ZINC001164842311 720709516 /nfs/dbraw/zinc/70/95/16/720709516.db2.gz YDRFJKXJPOQNBS-OAQYLSRUSA-N 1 0 461.566 3.890 20 0 JHADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844958 720742531 /nfs/dbraw/zinc/74/25/31/720742531.db2.gz VVBCLIZVZBPXIR-UHFFFAOYSA-N 1 0 480.350 3.772 20 0 JHADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741151 720764123 /nfs/dbraw/zinc/76/41/23/720764123.db2.gz MKMQIAQQZWRDRM-HOTGVXAUSA-N 1 0 450.593 3.860 20 0 JHADRO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748245 720812533 /nfs/dbraw/zinc/81/25/33/720812533.db2.gz QCGCYMDCXCCLDV-RLFYNMQTSA-N 1 0 457.356 3.904 20 0 JHADRO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748243 720812802 /nfs/dbraw/zinc/81/28/02/720812802.db2.gz QCGCYMDCXCCLDV-IIDMSEBBSA-N 1 0 457.356 3.904 20 0 JHADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743454 720812829 /nfs/dbraw/zinc/81/28/29/720812829.db2.gz FZXVJWPMKTVNOW-HYVNUMGLSA-N 1 0 457.356 3.904 20 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464.017 3.692 20 0 JHADRO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164751922 720844019 /nfs/dbraw/zinc/84/40/19/720844019.db2.gz ZNMFJUMURRBEPS-TXPKVOOTSA-N 1 0 469.005 3.973 20 0 JHADRO c1ncn(C[C@H]2C[C@@H]3CN(c4nc5ccccc5nc4N4CCCCC4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744726 720845047 /nfs/dbraw/zinc/84/50/47/720845047.db2.gz LMPYHEVNAMMJJY-TZBSWOFLSA-N 1 0 472.641 3.591 20 0 JHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743006 720847330 /nfs/dbraw/zinc/84/73/30/720847330.db2.gz IBHUKUUQCRHJPX-JGOFVUBGSA-N 1 0 486.668 3.980 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)CC[C@@H]2C1 ZINC001164851809 720848386 /nfs/dbraw/zinc/84/83/86/720848386.db2.gz HZNHKKYHGASQFB-DYVFJYSZSA-N 1 0 461.340 3.655 20 0 JHADRO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164754034 720852075 /nfs/dbraw/zinc/85/20/75/720852075.db2.gz ZUIRTVOLXGFAFX-OTNCWRBYSA-N 1 0 459.598 3.513 20 0 JHADRO COc1ccc(Oc2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc(C)n2)cc1 ZINC001164746030 720855420 /nfs/dbraw/zinc/85/54/20/720855420.db2.gz FHKRGRHOAFKSOS-YZUZCNPQSA-N 1 0 475.597 3.557 20 0 JHADRO Clc1cccc(COc2cncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164744095 720857357 /nfs/dbraw/zinc/85/73/57/720857357.db2.gz BOPSOUZKYVQNMS-AKIFATBCSA-N 1 0 480.016 3.680 20 0 JHADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164753888 720859107 /nfs/dbraw/zinc/85/91/07/720859107.db2.gz ZAWDRSXNRMKPCS-HLLBOEOZSA-N 1 0 473.355 3.784 20 0 JHADRO FC(F)(N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164744109 720860741 /nfs/dbraw/zinc/86/07/41/720860741.db2.gz BPAJLGZGIAEDMO-DFQSSKMNSA-N 1 0 462.976 3.826 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3ccn4COCC[Si](C)(C)C)CC[C@@H]2C1 ZINC001164854361 720865707 /nfs/dbraw/zinc/86/57/07/720865707.db2.gz JNTASIPMPNFERU-QUCCMNQESA-N 1 0 496.128 3.571 20 0 JHADRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1NC(C)C ZINC001164755457 720867310 /nfs/dbraw/zinc/86/73/10/720867310.db2.gz XHWLJCIZDWKFAD-OZXSUGGESA-N 1 0 450.631 3.755 20 0 JHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(N4CCCCC4)nn2)C3)c1 ZINC001164749010 720869019 /nfs/dbraw/zinc/86/90/19/720869019.db2.gz GCPVPLGMPGSQRW-IGKIAQTJSA-N 1 0 462.642 3.617 20 0 JHADRO CCOC(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164749131 720869869 /nfs/dbraw/zinc/86/98/69/720869869.db2.gz HDRQBUQRVSLSLR-KCWPFWIISA-N 1 0 464.610 3.717 20 0 JHADRO FC(F)(c1nccc(Cl)n1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752494 720875104 /nfs/dbraw/zinc/87/51/04/720875104.db2.gz NDEKMHXZZIFISY-KNQAVFIVSA-N 1 0 463.960 3.825 20 0 JHADRO Clc1ncnc2[nH]cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164748030 720875734 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/nfs/dbraw/zinc/41/20/25/721412025.db2.gz ABBVTAMTSLYZLL-KKSFZXQISA-N 1 0 453.965 3.527 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C3)O2)CC1 ZINC001164896163 721427727 /nfs/dbraw/zinc/42/77/27/721427727.db2.gz QTJFBMZOZCXDQM-GGXMVOPNSA-N 1 0 492.664 3.950 20 0 JHADRO CSc1ccc(Oc2cc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ncn2)cc1 ZINC001164890722 721427898 /nfs/dbraw/zinc/42/78/98/721427898.db2.gz DOZLWBZKGPRFRC-PXDATVDWSA-N 1 0 469.655 3.756 20 0 JHADRO CSc1cnc(Cl)c(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164894234 721429995 /nfs/dbraw/zinc/42/99/95/721429995.db2.gz KZZSBXARPLUCPB-JXFKEZNVSA-N 1 0 461.022 3.767 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)C3)O2)CC1 ZINC001164897641 721431505 /nfs/dbraw/zinc/43/15/05/721431505.db2.gz UKCFXYACVUUEJQ-CVDCTZTESA-N 1 0 493.002 3.502 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)C3)O2)CC1 ZINC001164897634 721431817 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/nfs/dbraw/zinc/43/86/64/721438664.db2.gz DDLVNWOORLDCSK-MBSDFSHPSA-N 1 0 496.002 3.602 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(F)ccc4-c4ccc(Cl)nn4)C3)O2)CC1 ZINC001164888840 721440747 /nfs/dbraw/zinc/44/07/47/721440747.db2.gz BBHRSOYNBRQZAH-CYFREDJKSA-N 1 0 459.997 3.702 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nnc(Cl)c5ccc(Cl)cc54)C3)O2)CC1 ZINC001164897140 721443425 /nfs/dbraw/zinc/44/34/25/721443425.db2.gz SPHIBOJYMHYYQV-VGSWGCGISA-N 1 0 450.414 3.702 20 0 JHADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1 ZINC001164887083 721448440 /nfs/dbraw/zinc/44/84/40/721448440.db2.gz IPBJKJORXVURAI-PXDATVDWSA-N 1 0 472.033 3.996 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)C3)O2)CC1 ZINC001164890158 721453506 /nfs/dbraw/zinc/45/35/06/721453506.db2.gz QOSVMAOQSSUYJX-SIKLNZKXSA-N 1 0 454.993 3.923 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc(C(=O)OC)ccc31)CC2 ZINC001164789858 721457893 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/nfs/dbraw/zinc/50/09/88/721500988.db2.gz PKJJIHRHPBQATD-HXUWFJFHSA-N 1 0 471.671 3.825 20 0 JHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164905837 721527652 /nfs/dbraw/zinc/52/76/52/721527652.db2.gz IXBUGUYMIRZCFV-GDBMZVCRSA-N 1 0 455.864 3.548 20 0 JHADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905197 721547084 /nfs/dbraw/zinc/54/70/84/721547084.db2.gz GKSPFKHATMTHGZ-OVRYWKHZSA-N 1 0 496.583 3.733 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)n1 ZINC001164903864 721550051 /nfs/dbraw/zinc/55/00/51/721550051.db2.gz DIIOAISLPVEDTC-DOTOQJQBSA-N 1 0 469.891 3.938 20 0 JHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(NC(=O)OC(C)(C)C)c3nc[nH]c32)[C@@H]2CCCO[C@@H]12 ZINC001164806048 721574250 /nfs/dbraw/zinc/57/42/50/721574250.db2.gz PFHLMHDCEOQNDL-WOIUINJBSA-N 1 0 479.585 3.568 20 0 JHADRO c1cncc(OC[C@H]2COCCC23CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)c1 ZINC001164803922 721604031 /nfs/dbraw/zinc/60/40/31/721604031.db2.gz WYIYUEKVRAGVHS-JOCHJYFZSA-N 1 0 452.599 3.653 20 0 JHADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907654 721716746 /nfs/dbraw/zinc/71/67/46/721716746.db2.gz SHTXQITYMALAID-VRWDYKOXSA-N 1 0 467.520 3.882 20 0 JHADRO CC(C)CCNS(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912727 721727006 /nfs/dbraw/zinc/72/70/06/721727006.db2.gz PTNCHLJLJHELEN-HSZRJFAPSA-N 1 0 493.624 3.539 20 0 JHADRO COc1ccc(-c2csc3ncnc(N4CCCC45CC[NH+](CC(=O)N(C)C)CC5)c23)cc1 ZINC001165010856 721744133 /nfs/dbraw/zinc/74/41/33/721744133.db2.gz PQKCVUQAQPGNMY-UHFFFAOYSA-N 1 0 465.623 3.890 20 0 JHADRO Cc1cc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001165021604 721816948 /nfs/dbraw/zinc/81/69/48/721816948.db2.gz FBUMQARWTMBGMB-WPYKKVEZSA-N 1 0 478.666 3.968 20 0 JHADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165030566 721825209 /nfs/dbraw/zinc/82/52/09/721825209.db2.gz ZZNRBEAFJDGINP-NVXDSCFRSA-N 1 0 471.671 3.680 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)C[C@@H]21 ZINC001165023910 721827482 /nfs/dbraw/zinc/82/74/82/721827482.db2.gz IOYWAUCPVGZTMD-MSLLRLGPSA-N 1 0 483.664 3.935 20 0 JHADRO CN(C)c1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(Cl)n1 ZINC001165025065 721830104 /nfs/dbraw/zinc/83/01/04/721830104.db2.gz LINDCNRKWBYDIR-SZMVWBNQSA-N 1 0 450.965 3.873 20 0 JHADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165021993 721842471 /nfs/dbraw/zinc/84/24/71/721842471.db2.gz LNLPAVHILHWHND-UHFFFAOYSA-N 1 0 498.624 3.971 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2ncc(F)cn2)C3)nc1 ZINC001164924202 721846619 /nfs/dbraw/zinc/84/66/19/721846619.db2.gz XFEGUPJAZZWGLP-RCZVLFRGSA-N 1 0 454.594 3.681 20 0 JHADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2[C@@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164925361 721868949 /nfs/dbraw/zinc/86/89/49/721868949.db2.gz OALSNEXIFNRBGV-ROKPMTFOSA-N 1 0 493.458 3.632 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4nc(Cl)nc5[nH]cnc54)CC3)C2)cc1 ZINC001164939594 721931073 /nfs/dbraw/zinc/93/10/73/721931073.db2.gz MRGMKZAVSOQOEZ-UHFFFAOYSA-N 1 0 462.932 3.683 20 0 JHADRO C(C[NH+]1CCCC1)[C@@H]1CCCCN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001165047378 721975935 /nfs/dbraw/zinc/97/59/35/721975935.db2.gz FUYPHRRRAUKFSZ-IBGZPJMESA-N 1 0 455.672 3.857 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cscn3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164950848 722001640 /nfs/dbraw/zinc/00/16/40/722001640.db2.gz KLWMYXUGJJLCHK-DEXHYYOUSA-N 1 0 455.628 3.641 20 0 JHADRO c1ccc(CC[NH+]2CCN(c3nc(-c4cnccn4)nc4sc5c(c43)CCCC5)CC2)nc1 ZINC001165054909 722018526 /nfs/dbraw/zinc/01/85/26/722018526.db2.gz JFQMXIVEVSFREB-UHFFFAOYSA-N 1 0 457.607 3.787 20 0 JHADRO O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164956100 722033071 /nfs/dbraw/zinc/03/30/71/722033071.db2.gz BWKWFNRHOIAAGD-CUBQBAPOSA-N 1 0 453.590 3.568 20 0 JHADRO O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164956101 722033256 /nfs/dbraw/zinc/03/32/56/722033256.db2.gz BWKWFNRHOIAAGD-RBJSKKJNSA-N 1 0 453.590 3.568 20 0 JHADRO Clc1nc2c(c(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@@H]43)n1)CN(Cc1ccccc1)CC2 ZINC001164959457 722050833 /nfs/dbraw/zinc/05/08/33/722050833.db2.gz KCJQFCUVSTTXED-XRODADMRSA-N 1 0 491.039 3.988 20 0 JHADRO Clc1nc(Cl)c2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2n1 ZINC001164961170 722054042 /nfs/dbraw/zinc/05/40/42/722054042.db2.gz TYWRPMHXETWIKS-UHFFFAOYSA-N 1 0 494.814 3.894 20 0 JHADRO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc2ccccc21 ZINC001164963180 722055704 /nfs/dbraw/zinc/05/57/04/722055704.db2.gz HXHCPJLGAGKGLW-UHFFFAOYSA-N 1 0 460.578 3.926 20 0 JHADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959983 722058892 /nfs/dbraw/zinc/05/88/92/722058892.db2.gz BMORFRXEYDQDTD-UHFFFAOYSA-N 1 0 472.367 3.928 20 0 JHADRO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963401 722060430 /nfs/dbraw/zinc/06/04/30/722060430.db2.gz YKJOXINVPRDPPI-UHFFFAOYSA-N 1 0 462.932 3.670 20 0 JHADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962607 722061398 /nfs/dbraw/zinc/06/13/98/722061398.db2.gz UVZFFPKFTKECNJ-UHFFFAOYSA-N 1 0 490.942 3.844 20 0 JHADRO Cc1cc(OCc2ccccc2)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963466 722061597 /nfs/dbraw/zinc/06/15/97/722061597.db2.gz YZALAQOCLXKBSW-UHFFFAOYSA-N 1 0 459.594 3.878 20 0 JHADRO Cc1nc(C)c(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)s1 ZINC001164962561 722061626 /nfs/dbraw/zinc/06/16/26/722061626.db2.gz UJHPWCGJCKQXSX-UHFFFAOYSA-N 1 0 450.612 3.731 20 0 JHADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973974 722123402 /nfs/dbraw/zinc/12/34/02/722123402.db2.gz IGSBVGAQEDPANM-DHLKQENFSA-N 1 0 472.568 3.741 20 0 JHADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164979042 722127845 /nfs/dbraw/zinc/12/78/45/722127845.db2.gz OUFLCTXXRXEKKE-XLIONFOSSA-N 1 0 470.936 3.579 20 0 JHADRO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2C)cc1 ZINC001164983838 722137001 /nfs/dbraw/zinc/13/70/01/722137001.db2.gz VNWZQXIDDQGTCV-RSXGOPAZSA-N 1 0 472.589 3.966 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983337 722138194 /nfs/dbraw/zinc/13/81/94/722138194.db2.gz UGTQMLJOAMAVCW-VQTJNVASSA-N 1 0 486.954 3.859 20 0 JHADRO c1cc2c(nc(-c3ccccn3)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164976056 722151885 /nfs/dbraw/zinc/15/18/85/722151885.db2.gz GVSHKURHXHPTBY-UGKGYDQZSA-N 1 0 458.591 3.876 20 0 JHADRO Clc1nnc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1N1CCCCC1 ZINC001164973081 722158869 /nfs/dbraw/zinc/15/88/69/722158869.db2.gz LAPNKMVMJWCPSO-MOPGFXCFSA-N 1 0 477.440 3.896 20 0 JHADRO CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164991919 722187493 /nfs/dbraw/zinc/18/74/93/722187493.db2.gz QQBRAWJIFGTONO-XMMPIXPASA-N 1 0 462.638 3.741 20 0 JHADRO CCOC(=O)c1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1C(=O)OCC ZINC001164996128 722213494 /nfs/dbraw/zinc/21/34/94/722213494.db2.gz LRQDAWPODIHLHZ-VWLOTQADSA-N 1 0 455.530 3.819 20 0 JHADRO CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)n1 ZINC001164999652 722227964 /nfs/dbraw/zinc/22/79/64/722227964.db2.gz NWOLVXFDWNEIPB-LJQANCHMSA-N 1 0 478.975 3.871 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1nc3ccsc3c(Cl)n1)CCC2 ZINC001165000846 722251748 /nfs/dbraw/zinc/25/17/48/722251748.db2.gz VKNOKZJIZTUZIX-UHFFFAOYSA-N 1 0 456.950 3.575 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3nc(-c4cccs4)no3)ccn1)CCC2 ZINC001165003767 722257417 /nfs/dbraw/zinc/25/74/17/722257417.db2.gz HDFIBRJWEWAIPX-UHFFFAOYSA-N 1 0 465.583 3.545 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2cc(F)cc(OC)c2)CC[N@@H+]1CCOC ZINC001306622962 1069313253 /nfs/dbraw/zinc/31/32/53/1069313253.db2.gz GTFJRNNHJRQZND-QFIPXVFZSA-N 1 0 482.604 3.782 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001306623324 1069314462 /nfs/dbraw/zinc/31/44/62/1069314462.db2.gz BYSJZZSXFPWACO-DHIUTWEWSA-N 1 0 459.610 3.839 20 0 JHADRO Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1S(=O)(=O)N(C)C ZINC001311279476 1069314465 /nfs/dbraw/zinc/31/44/65/1069314465.db2.gz OJGOBNHALXZKSW-OXJNMPFZSA-N 1 0 450.630 3.511 20 0 JHADRO COCC(=O)N1CCCc2ccc(NC(=O)N[C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC001311292812 1069318470 /nfs/dbraw/zinc/31/84/70/1069318470.db2.gz UTGQHLXKSOMNNM-SIKLNZKXSA-N 1 0 450.583 3.644 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)c2ncc(C)s2)CC[N@@H+]1CCOC ZINC001306626098 1069320418 /nfs/dbraw/zinc/32/04/18/1069320418.db2.gz WFRPINNCLFMHNE-HMXCVIKNSA-N 1 0 476.691 3.678 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2(C)CCOCC2)CC[N@@H+]1CCOC ZINC001306626599 1069322439 /nfs/dbraw/zinc/32/24/39/1069322439.db2.gz IDYPTTBCZRNNMG-QHCPKHFHSA-N 1 0 473.637 3.762 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2(C)CCOCC2)CC[N@@H+]1CCOC ZINC001306626598 1069322558 /nfs/dbraw/zinc/32/25/58/1069322558.db2.gz IDYPTTBCZRNNMG-HSZRJFAPSA-N 1 0 473.637 3.762 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccsc3)n2Cc2cnc(C)s2)CC[N@@H+]1CCOC ZINC001306628434 1069326513 /nfs/dbraw/zinc/32/65/13/1069326513.db2.gz JNVMCXWKNYLYTA-IBGZPJMESA-N 1 0 460.673 3.681 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(F)c2)CC[N@@H+]1CCOC ZINC001306628550 1069326969 /nfs/dbraw/zinc/32/69/69/1069326969.db2.gz GOTNMQQUSFYKIS-FQEVSTJZSA-N 1 0 461.626 4.000 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CCO1 ZINC001306629341 1069328311 /nfs/dbraw/zinc/32/83/11/1069328311.db2.gz PFIHSSMQRFCYJW-GOTSBHOMSA-N 1 0 484.670 3.951 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC3CC3)n2Cc2ccccc2Br)CC[N@@H+]1CCOC ZINC001306630342 1069329949 /nfs/dbraw/zinc/32/99/49/1069329949.db2.gz UXRJZWHFNCDIKR-FQEVSTJZSA-N 1 0 476.463 3.979 20 0 JHADRO C[NH+](C)C1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)CCCCC1 ZINC001311343997 1069331486 /nfs/dbraw/zinc/33/14/86/1069331486.db2.gz GVSHLJYFAIORGH-JKSUJKDBSA-N 1 0 450.546 3.738 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N2CC(Cc3cc(OC)cc(OC)c3)C2)[NH+]2CCCC2)cc1 ZINC001311344609 1069332026 /nfs/dbraw/zinc/33/20/26/1069332026.db2.gz IVFRCWOCBKMJKE-RUZDIDTESA-N 1 0 453.583 3.733 20 0 JHADRO COc1ccc([C@H](CNC(=O)N2CC(Cc3cc(OC)cc(OC)c3)C2)[NH+]2CCCC2)cc1 ZINC001311344611 1069332089 /nfs/dbraw/zinc/33/20/89/1069332089.db2.gz IVFRCWOCBKMJKE-VWLOTQADSA-N 1 0 453.583 3.733 20 0 JHADRO CCC[N@H+](C)[C@@H](CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC001311348183 1069335263 /nfs/dbraw/zinc/33/52/63/1069335263.db2.gz HWUQAIPKOXWXMZ-ZEQRLZLVSA-N 1 0 459.034 3.923 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N2CCC[C@H](c3cncn3C(C)(C)C)C2)[NH+](C)C)cc1OC ZINC001311350690 1069337209 /nfs/dbraw/zinc/33/72/09/1069337209.db2.gz XIKUAQUQNROOTL-VQTJNVASSA-N 1 0 457.619 3.847 20 0 JHADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)C1 ZINC001311363281 1069346068 /nfs/dbraw/zinc/34/60/68/1069346068.db2.gz RUXPFKMTUQXWHT-UEXGIBASSA-N 1 0 455.018 3.518 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)C1 ZINC001311359673 1069343385 /nfs/dbraw/zinc/34/33/85/1069343385.db2.gz PXRLDLYDOGHDMG-DNRQZRRGSA-N 1 0 450.627 3.663 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(c4ccccc4F)C3=O)cc2)C1 ZINC001311360454 1069344051 /nfs/dbraw/zinc/34/40/51/1069344051.db2.gz PONDHHLPNDBJQT-SELNLUPBSA-N 1 0 452.574 3.908 20 0 JHADRO CCN(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311366321 1069346993 /nfs/dbraw/zinc/34/69/93/1069346993.db2.gz BDVCMBVRTZJAAM-RPBOFIJWSA-N 1 0 454.590 3.505 20 0 JHADRO CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001306642013 1069352808 /nfs/dbraw/zinc/35/28/08/1069352808.db2.gz RHYZQBHRENNGSY-UHFFFAOYSA-N 1 0 488.702 3.840 20 0 JHADRO CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001306643650 1069354485 /nfs/dbraw/zinc/35/44/85/1069354485.db2.gz FXCIJIRIDQPTOO-HXUWFJFHSA-N 1 0 457.619 3.701 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)CC2)c1 ZINC001311381986 1069354992 /nfs/dbraw/zinc/35/49/92/1069354992.db2.gz UZHLDBRUSBQUNX-MNAQKMTRSA-N 1 0 456.656 3.647 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)CC2)c1 ZINC001311382548 1069355159 /nfs/dbraw/zinc/35/51/59/1069355159.db2.gz XXWVZICSTANELX-DNQXCXABSA-N 1 0 457.018 3.678 20 0 JHADRO Cc1cccc([C@H](CNC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)N2CCOCC2)c1 ZINC001311389776 1069357701 /nfs/dbraw/zinc/35/77/01/1069357701.db2.gz AKLKFWATCHHOIK-FTJBHMTQSA-N 1 0 452.643 3.824 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC2(O)CCC2)CC[N@@H+]1CCOC ZINC001306649425 1069360167 /nfs/dbraw/zinc/36/01/67/1069360167.db2.gz SRXYZMDFQGNXHK-SFHVURJKSA-N 1 0 492.462 3.560 20 0 JHADRO CC(C)[C@@H](CNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC001311398581 1069361589 /nfs/dbraw/zinc/36/15/89/1069361589.db2.gz ZKFJFOJDDKYKCS-XUVXKRRUSA-N 1 0 454.656 3.803 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1)c1ccsc1 ZINC001311398820 1069361603 /nfs/dbraw/zinc/36/16/03/1069361603.db2.gz JZZHKFYDZOBGMZ-UYAOXDASSA-N 1 0 452.418 3.807 20 0 JHADRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCOc2ccc(Br)cc2C(F)(F)F)C1 ZINC001311399218 1069361702 /nfs/dbraw/zinc/36/17/02/1069361702.db2.gz CYOMCRNUSHGJFS-CYBMUJFWSA-N 1 0 452.315 3.878 20 0 JHADRO CC[C@H](CNC(=O)N1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001311397639 1069361764 /nfs/dbraw/zinc/36/17/64/1069361764.db2.gz VLTCMGSFBUZTSI-XLGIIRLISA-N 1 0 456.631 3.912 20 0 JHADRO CC(C)(CNC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC001311405913 1069364502 /nfs/dbraw/zinc/36/45/02/1069364502.db2.gz QWSUHGADCSEAMF-LJQANCHMSA-N 1 0 454.537 3.790 20 0 JHADRO C[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001311422642 1069370208 /nfs/dbraw/zinc/37/02/08/1069370208.db2.gz CJGFRTMHGBZFBD-OPAMFIHVSA-N 1 0 458.990 3.661 20 0 JHADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)C1 ZINC001311440125 1069380412 /nfs/dbraw/zinc/38/04/12/1069380412.db2.gz ASZDQWIQSGJYSC-HXUWFJFHSA-N 1 0 452.437 3.869 20 0 JHADRO CCN(CCCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(=O)OC(C)(C)C ZINC001311456146 1069387127 /nfs/dbraw/zinc/38/71/27/1069387127.db2.gz SLSWIGYRXIEZSP-UHFFFAOYSA-N 1 0 450.546 3.738 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001306663928 1069387166 /nfs/dbraw/zinc/38/71/66/1069387166.db2.gz DQRUZTKMZXCQBG-UHFFFAOYSA-N 1 0 472.703 3.890 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306664264 1069388317 /nfs/dbraw/zinc/38/83/17/1069388317.db2.gz GSMHEEMMOLVWFL-WMTXJRDZSA-N 1 0 488.721 3.767 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311468977 1069392439 /nfs/dbraw/zinc/39/24/39/1069392439.db2.gz GGRWLNZURNCENP-DNQXCXABSA-N 1 0 452.599 3.521 20 0 JHADRO CCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001306674960 1069399406 /nfs/dbraw/zinc/39/94/06/1069399406.db2.gz MXAGEBRWELAIEO-QFIPXVFZSA-N 1 0 486.661 3.933 20 0 JHADRO CCCOCc1ccccc1CNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001311485498 1069399528 /nfs/dbraw/zinc/39/95/28/1069399528.db2.gz DTRXCVOZZUVBAP-AREMUKBSSA-N 1 0 450.627 3.715 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCc2nnc(C)s2)CC1 ZINC001306678634 1069403729 /nfs/dbraw/zinc/40/37/29/1069403729.db2.gz MUIQZOYQPLUNCI-UHFFFAOYSA-N 1 0 454.648 3.691 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001306677865 1069401901 /nfs/dbraw/zinc/40/19/01/1069401901.db2.gz CRCYYVXSEXTHAU-UHFFFAOYSA-N 1 0 475.641 3.696 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001306679198 1069404171 /nfs/dbraw/zinc/40/41/71/1069404171.db2.gz PIPADGSSHOTRDP-JGCGQSQUSA-N 1 0 460.692 3.533 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C(F)(F)C23CCC3)CC1 ZINC001306679280 1069404278 /nfs/dbraw/zinc/40/42/78/1069404278.db2.gz GTUGBRGOUODFNR-IBGZPJMESA-N 1 0 466.621 3.800 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnc(C)s2)CC1 ZINC001306679255 1069404360 /nfs/dbraw/zinc/40/43/60/1069404360.db2.gz GIXDPISAVKFCGC-UHFFFAOYSA-N 1 0 482.658 3.687 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ncccc2N(C)C)CC1 ZINC001306679331 1069405132 /nfs/dbraw/zinc/40/51/32/1069405132.db2.gz RDBHZNQEJZQBGJ-XMMPIXPASA-N 1 0 469.678 3.977 20 0 JHADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)N3CC(OCCCc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC001311495434 1069405531 /nfs/dbraw/zinc/40/55/31/1069405531.db2.gz JVDQFOCIAGUEJQ-VXKWHMMOSA-N 1 0 451.611 3.839 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001306681397 1069410552 /nfs/dbraw/zinc/41/05/52/1069410552.db2.gz LNVYYTBXMLAIBR-KRWDZBQOSA-N 1 0 489.466 3.570 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001306681856 1069412017 /nfs/dbraw/zinc/41/20/17/1069412017.db2.gz VTPCZUPTBOFAMW-KOSHJBKYSA-N 1 0 479.572 3.663 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC[C@H]1C ZINC001306682171 1069412359 /nfs/dbraw/zinc/41/23/59/1069412359.db2.gz BJKKXZDAVWJPFC-OAHLLOKOSA-N 1 0 454.388 3.804 20 0 JHADRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001311500434 1069409772 /nfs/dbraw/zinc/40/97/72/1069409772.db2.gz SYNWOESHLDVANW-OAQYLSRUSA-N 1 0 451.489 3.929 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001306683518 1069417257 /nfs/dbraw/zinc/41/72/57/1069417257.db2.gz WDAXMHNVWUOGJE-WOJBJXKFSA-N 1 0 489.462 3.687 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001306682802 1069414548 /nfs/dbraw/zinc/41/45/48/1069414548.db2.gz LGHIUCPSKAZTNX-GOSISDBHSA-N 1 0 489.462 3.641 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001306683756 1069417970 /nfs/dbraw/zinc/41/79/70/1069417970.db2.gz CJLAFJMNTCBWDN-LJQANCHMSA-N 1 0 459.639 3.509 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001306682915 1069415227 /nfs/dbraw/zinc/41/52/27/1069415227.db2.gz MJCABEXSSAVJAM-INIZCTEOSA-N 1 0 473.975 3.798 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1C1CCC1 ZINC001306683215 1069415852 /nfs/dbraw/zinc/41/58/52/1069415852.db2.gz VOSIHZSHAYYTBZ-QFIPXVFZSA-N 1 0 459.660 3.849 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001306682997 1069415872 /nfs/dbraw/zinc/41/58/72/1069415872.db2.gz SRVXYVGJEFABED-FQEVSTJZSA-N 1 0 456.616 3.720 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001306683124 1069415963 /nfs/dbraw/zinc/41/59/63/1069415963.db2.gz PHSPDFLBNBDOLQ-NHCUHLMSSA-N 1 0 457.619 3.700 20 0 JHADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001311517115 1069418771 /nfs/dbraw/zinc/41/87/71/1069418771.db2.gz SYHPWMPUBKVJGW-UHFFFAOYSA-N 1 0 450.505 3.776 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001306684370 1069419231 /nfs/dbraw/zinc/41/92/31/1069419231.db2.gz LOHUOAPMGFCDDB-UHFFFAOYSA-N 1 0 471.650 3.908 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001306686183 1069421827 /nfs/dbraw/zinc/42/18/27/1069421827.db2.gz SEYBJYNJONSVTF-DYESRHJHSA-N 1 0 466.001 3.884 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001306688264 1069425260 /nfs/dbraw/zinc/42/52/60/1069425260.db2.gz NAYRSCPINFTDSJ-HSZRJFAPSA-N 1 0 470.568 3.852 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC001306689101 1069425866 /nfs/dbraw/zinc/42/58/66/1069425866.db2.gz XYLLCAZBZXTIJR-DNVJHFABSA-N 1 0 487.693 3.723 20 0 JHADRO CCC(CC)[C@@H](CNC(=O)N[C@H](C)Cc1cc(Br)ccc1F)[NH+]1CCOCC1 ZINC001311535515 1069427681 /nfs/dbraw/zinc/42/76/81/1069427681.db2.gz TXGJUAZUOLYLDX-FOIQADDNSA-N 1 0 458.416 3.955 20 0 JHADRO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C[C@H](C)O1 ZINC001311533272 1069426565 /nfs/dbraw/zinc/42/65/65/1069426565.db2.gz JRJINNTUMOWWJF-FVJLSDCUSA-N 1 0 457.537 3.972 20 0 JHADRO CC(C)[C@H](CNC(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1)[NH+]1CCN(C)CC1 ZINC001311535823 1069428474 /nfs/dbraw/zinc/42/84/74/1069428474.db2.gz KFGKQAMTFPRPRA-GOTSBHOMSA-N 1 0 456.610 3.724 20 0 JHADRO CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001306700115 1069435530 /nfs/dbraw/zinc/43/55/30/1069435530.db2.gz BHSBEARFALGRTL-LJQANCHMSA-N 1 0 461.680 3.515 20 0 JHADRO Cc1ccc([C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001311551567 1069435564 /nfs/dbraw/zinc/43/55/64/1069435564.db2.gz QPZXSMDPQWGYSP-DEOSSOPVSA-N 1 0 457.640 3.909 20 0 JHADRO CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001306701568 1069436703 /nfs/dbraw/zinc/43/67/03/1069436703.db2.gz SIVQEBMUJUTLIG-NQIIRXRSSA-N 1 0 475.037 3.614 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000751095220 1069443126 /nfs/dbraw/zinc/44/31/26/1069443126.db2.gz JUIUCXGHCFEKQQ-GCJKJVERSA-N 1 0 455.521 3.957 20 0 JHADRO COc1cccc([C@H](CNC(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)[NH+]2CCCC2)c1 ZINC001311581446 1069448734 /nfs/dbraw/zinc/44/87/34/1069448734.db2.gz QOVDJZZTIKDPRM-WZYRSQIMSA-N 1 0 455.603 3.525 20 0 JHADRO COc1cccc([C@@H](CNC(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)[NH+]2CCCC2)c1 ZINC001311582144 1069449565 /nfs/dbraw/zinc/44/95/65/1069449565.db2.gz WVRBRAPELZNCNH-UNIVCBNLSA-N 1 0 472.630 3.731 20 0 JHADRO Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)n2)c1 ZINC001311588560 1069452299 /nfs/dbraw/zinc/45/22/99/1069452299.db2.gz OCQVVNHLIXUFLR-MRXNPFEDSA-N 1 0 453.978 3.853 20 0 JHADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCOc2c(Br)cccc2C1 ZINC001311584951 1069451089 /nfs/dbraw/zinc/45/10/89/1069451089.db2.gz VPKJOFUDJPAUNR-UHFFFAOYSA-N 1 0 454.434 3.715 20 0 JHADRO CCCCn1cc(Cn2c(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)nnc2C(C)(C)C)c(C)n1 ZINC001306721380 1069457364 /nfs/dbraw/zinc/45/73/64/1069457364.db2.gz XZNDCSLWRCSZIY-IBGZPJMESA-N 1 0 457.667 3.618 20 0 JHADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC001311594924 1069456400 /nfs/dbraw/zinc/45/64/00/1069456400.db2.gz AMSKRTMODCSBHS-QHCPKHFHSA-N 1 0 450.562 3.992 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001306721558 1069457920 /nfs/dbraw/zinc/45/79/20/1069457920.db2.gz BMVBOZQBWMZDBZ-FPOVZHCZSA-N 1 0 458.630 3.702 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 ZINC001306722843 1069461765 /nfs/dbraw/zinc/46/17/65/1069461765.db2.gz LRNZVOUXYKSFNN-RTWAWAEBSA-N 1 0 455.651 3.670 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001311605544 1069459177 /nfs/dbraw/zinc/45/91/77/1069459177.db2.gz STLWKAVFSDVUCU-OIBXWCBGSA-N 1 0 474.646 3.819 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001306722168 1069459095 /nfs/dbraw/zinc/45/90/95/1069459095.db2.gz HQUHJAUNOUQKMW-QFIPXVFZSA-N 1 0 456.610 3.909 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)CC1 ZINC001306722252 1069459762 /nfs/dbraw/zinc/45/97/62/1069459762.db2.gz JKSJIYVBKBRICX-FPOVZHCZSA-N 1 0 477.650 3.781 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001306722511 1069460934 /nfs/dbraw/zinc/46/09/34/1069460934.db2.gz IIKQHDNPTIJZSQ-VXKWHMMOSA-N 1 0 458.651 3.568 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC001311610858 1069462935 /nfs/dbraw/zinc/46/29/35/1069462935.db2.gz GZPWTLAVCJUNHI-HNACLESGSA-N 1 0 456.631 3.785 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC001306723347 1069463543 /nfs/dbraw/zinc/46/35/43/1069463543.db2.gz RTGFWLFWHNMNFW-LEWJYISDSA-N 1 0 472.682 3.885 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)CC1 ZINC001306724544 1069465182 /nfs/dbraw/zinc/46/51/82/1069465182.db2.gz YSHHOOGOFRSLNJ-SFHVURJKSA-N 1 0 468.042 3.961 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCNC(=O)CC1 ZINC001306724519 1069465204 /nfs/dbraw/zinc/46/52/04/1069465204.db2.gz YHPUHAXXHUQVBG-PKTZIBPZSA-N 1 0 452.647 3.801 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001306724575 1069465752 /nfs/dbraw/zinc/46/57/52/1069465752.db2.gz ZRNUZJSNQUUNJQ-PMACEKPBSA-N 1 0 460.026 3.569 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306724963 1069465839 /nfs/dbraw/zinc/46/58/39/1069465839.db2.gz APIZBGBISRPRLY-OALUTQOASA-N 1 0 474.600 3.503 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001306725686 1069467048 /nfs/dbraw/zinc/46/70/48/1069467048.db2.gz GPTYOLUBLARRSO-YPAWHYETSA-N 1 0 476.666 3.542 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306726050 1069467824 /nfs/dbraw/zinc/46/78/24/1069467824.db2.gz JSWZPVUNCJEEGU-OALUTQOASA-N 1 0 471.568 3.784 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 ZINC001306726095 1069467833 /nfs/dbraw/zinc/46/78/33/1069467833.db2.gz KCZIJZDCMJTAFE-CIAFKFPVSA-N 1 0 497.775 3.945 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001306727100 1069471051 /nfs/dbraw/zinc/47/10/51/1069471051.db2.gz AAECFNOWKYTQNE-RJGXRXQPSA-N 1 0 481.689 3.983 20 0 JHADRO C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311619436 1069470607 /nfs/dbraw/zinc/47/06/07/1069470607.db2.gz OGBKYBYEBDRWFK-SFHVURJKSA-N 1 0 456.562 3.921 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001306727798 1069473252 /nfs/dbraw/zinc/47/32/52/1069473252.db2.gz BRYWBVOGZHPGHI-OFVILXPXSA-N 1 0 489.668 3.971 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1C(C)(C)C ZINC001306729611 1069478736 /nfs/dbraw/zinc/47/87/36/1069478736.db2.gz LMCBSOBXJGDCKN-FQEVSTJZSA-N 1 0 497.688 3.772 20 0 JHADRO CCCN(C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001311630853 1069478814 /nfs/dbraw/zinc/47/88/14/1069478814.db2.gz UUMAGQYCDMQFEK-UBFVSLLYSA-N 1 0 456.675 3.820 20 0 JHADRO CC(C)n1ncc2c1[C@H](NC(=O)NCCCC[NH+]1CCN(Cc3ccccc3)CC1)CCC2 ZINC001311630326 1069478902 /nfs/dbraw/zinc/47/89/02/1069478902.db2.gz OBIYLERQYIEDBE-XMMPIXPASA-N 1 0 452.647 3.739 20 0 JHADRO C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC001311632640 1069479840 /nfs/dbraw/zinc/47/98/40/1069479840.db2.gz JZYDIMVEMMZILR-FYYLOGMGSA-N 1 0 458.647 3.598 20 0 JHADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 ZINC001311637976 1069483437 /nfs/dbraw/zinc/48/34/37/1069483437.db2.gz VDNSEWVKFFUQFR-FTJBHMTQSA-N 1 0 450.627 3.847 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC ZINC001306731571 1069486326 /nfs/dbraw/zinc/48/63/26/1069486326.db2.gz QRYFUFRDHDAMKI-FNAHDJPLSA-N 1 0 476.710 3.670 20 0 JHADRO CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC001311643517 1069486913 /nfs/dbraw/zinc/48/69/13/1069486913.db2.gz DATYLTYPGKSVCN-JOCHJYFZSA-N 1 0 454.537 3.661 20 0 JHADRO CNC(=O)COc1cccc(CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC001311644445 1069486919 /nfs/dbraw/zinc/48/69/19/1069486919.db2.gz MREGCKCIONCLEV-UHFFFAOYSA-N 1 0 452.599 3.575 20 0 JHADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1COc2cccc(Br)c2C1 ZINC001311670655 1069497362 /nfs/dbraw/zinc/49/73/62/1069497362.db2.gz ZVWAKKYXIQFNRH-LJQANCHMSA-N 1 0 458.400 3.964 20 0 JHADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1COc2cccc(Br)c2C1 ZINC001311670654 1069497501 /nfs/dbraw/zinc/49/75/01/1069497501.db2.gz ZVWAKKYXIQFNRH-IBGZPJMESA-N 1 0 458.400 3.964 20 0 JHADRO CC(C)C[C@H](NC(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C(=O)NCC[NH+](C)C ZINC001311678208 1069500824 /nfs/dbraw/zinc/50/08/24/1069500824.db2.gz PTOKSSUQDUBMHK-VQTJNVASSA-N 1 0 451.036 3.883 20 0 JHADRO C[N@H+](CCNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1)Cc1ccccc1 ZINC001311685793 1069502886 /nfs/dbraw/zinc/50/28/86/1069502886.db2.gz NZUJOKSYAFRCTH-UHFFFAOYSA-N 1 0 459.432 3.845 20 0 JHADRO Cc1ccc(C[C@H](CO)CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC001311693735 1069506635 /nfs/dbraw/zinc/50/66/35/1069506635.db2.gz NCKJTXUHWREXOC-LPHOPBHVSA-N 1 0 454.453 3.718 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)C)n2CC[N@@H+]2CCc3ccccc3C2)C1 ZINC001306738601 1069510135 /nfs/dbraw/zinc/51/01/35/1069510135.db2.gz RREDKQXZXOZDJN-HSZRJFAPSA-N 1 0 452.647 3.593 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001306738343 1069509120 /nfs/dbraw/zinc/50/91/20/1069509120.db2.gz ZLYCTRNAUUJSRL-HBMCJLEFSA-N 1 0 455.651 3.669 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001306740879 1069514589 /nfs/dbraw/zinc/51/45/89/1069514589.db2.gz WLCOPPWJKJWDGO-ZJSXRUAMSA-N 1 0 493.631 3.915 20 0 JHADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC001311715005 1069515994 /nfs/dbraw/zinc/51/59/94/1069515994.db2.gz YEUZAPLOXSQZPX-IEBWSBKVSA-N 1 0 456.370 3.805 20 0 JHADRO CCN(C(=O)N[C@@H](CCSC)c1nnc2ccccn21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311716057 1069516748 /nfs/dbraw/zinc/51/67/48/1069516748.db2.gz WKJWZDCVRZZWIT-RTWAWAEBSA-N 1 0 452.628 3.830 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001306741635 1069517934 /nfs/dbraw/zinc/51/79/34/1069517934.db2.gz LBKNLRDPXLDZRY-UHFFFAOYSA-N 1 0 482.673 3.962 20 0 JHADRO C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001311726481 1069522982 /nfs/dbraw/zinc/52/29/82/1069522982.db2.gz HALJXPFRMNLFLA-VXKWHMMOSA-N 1 0 453.583 3.997 20 0 JHADRO CN1CC[NH+](CC2(C)CCN(C(=O)N[C@@H]3CCCc4cc(OC(F)F)ccc43)CC2)CC1 ZINC001311727214 1069523515 /nfs/dbraw/zinc/52/35/15/1069523515.db2.gz KJCIOWSRSMYDIJ-OAQYLSRUSA-N 1 0 450.574 3.725 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001306744436 1069525455 /nfs/dbraw/zinc/52/54/55/1069525455.db2.gz XLSJAHQNXCXDIO-QFIPXVFZSA-N 1 0 487.718 3.641 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCC2)CC1 ZINC001306746058 1069529942 /nfs/dbraw/zinc/52/99/42/1069529942.db2.gz WQZRLNVOFKHXSL-UHFFFAOYSA-N 1 0 456.610 3.701 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001306746249 1069530791 /nfs/dbraw/zinc/53/07/91/1069530791.db2.gz ZXUOGIHPPLZEPG-NRFANRHFSA-N 1 0 481.670 3.837 20 0 JHADRO O=C(Nc1ccccc1O)C1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001311749228 1069532216 /nfs/dbraw/zinc/53/22/16/1069532216.db2.gz QKPYODXHENKRRD-OAQYLSRUSA-N 1 0 450.583 3.665 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccco1 ZINC001311751058 1069532686 /nfs/dbraw/zinc/53/26/86/1069532686.db2.gz YTIFCMZJSCOZQH-FGTMMUONSA-N 1 0 452.596 3.722 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC2([NH+](C)C)CCCC2)cc1OC ZINC001306748326 1069538044 /nfs/dbraw/zinc/53/80/44/1069538044.db2.gz FTBXAOUSTFBYJK-HXUWFJFHSA-N 1 0 498.672 3.674 20 0 JHADRO CN(C)c1ccc(N2CCC(NC(=O)NCC3CC[NH+](Cc4cccs4)CC3)CC2)cc1 ZINC001311761598 1069536910 /nfs/dbraw/zinc/53/69/10/1069536910.db2.gz MZOUPMZYXDLNEW-UHFFFAOYSA-N 1 0 455.672 3.994 20 0 JHADRO Cc1c([C@@H](C)NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cnn1-c1ccc(F)cc1 ZINC001311780372 1069543325 /nfs/dbraw/zinc/54/33/25/1069543325.db2.gz WXQCEXWKSPYBMQ-LJQANCHMSA-N 1 0 456.610 3.581 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001311805426 1069553332 /nfs/dbraw/zinc/55/33/32/1069553332.db2.gz PSLSACMLWNIBAV-FQEVSTJZSA-N 1 0 453.052 3.549 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N[C@@H](COC)c2cccc(OC)c2)CC1 ZINC001311822619 1069561597 /nfs/dbraw/zinc/56/15/97/1069561597.db2.gz PTKZHDUNCCNBAL-MBSDFSHPSA-N 1 0 458.578 3.724 20 0 JHADRO CCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001306769188 1069569070 /nfs/dbraw/zinc/56/90/70/1069569070.db2.gz AJASEWIIPHURTK-UHFFFAOYSA-N 1 0 461.676 3.953 20 0 JHADRO CCCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001306770310 1069569432 /nfs/dbraw/zinc/56/94/32/1069569432.db2.gz NMGJEVGXSJOMCL-SFHVURJKSA-N 1 0 480.451 3.919 20 0 JHADRO CCCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001306768203 1069568608 /nfs/dbraw/zinc/56/86/08/1069568608.db2.gz SCSPISLJODZPEG-UHFFFAOYSA-N 1 0 477.053 3.597 20 0 JHADRO CN1CC[NH+](CC2CCN(C(=O)NCc3ccc(OCc4cccc(F)c4)cc3)CC2)CC1 ZINC001311842697 1069575001 /nfs/dbraw/zinc/57/50/01/1069575001.db2.gz JSNJDARQNRQILZ-UHFFFAOYSA-N 1 0 454.590 3.574 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c(C)noc2C)C1 ZINC001306779495 1069575419 /nfs/dbraw/zinc/57/54/19/1069575419.db2.gz HCMKXRROQGCDGG-INIZCTEOSA-N 1 0 476.423 3.857 20 0 JHADRO C[N@H+](CCOc1cccc(CNC(=O)NC2(Cc3ccc(F)cc3)CC2)c1)C1CCOCC1 ZINC001311846602 1069576797 /nfs/dbraw/zinc/57/67/97/1069576797.db2.gz AYXYWKDFGWJSFW-UHFFFAOYSA-N 1 0 455.574 3.890 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001306780365 1069577395 /nfs/dbraw/zinc/57/73/95/1069577395.db2.gz BAONXCWLIDAVBT-RTBURBONSA-N 1 0 467.536 3.897 20 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CCC(CC)(CNC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC001311993529 1069656233 /nfs/dbraw/zinc/65/62/33/1069656233.db2.gz JMESRLDEGHNUTQ-HXUWFJFHSA-N 1 0 451.615 3.527 20 0 JHADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1 ZINC001311998832 1069659350 /nfs/dbraw/zinc/65/93/50/1069659350.db2.gz YMAIDYYRJKSDRS-LJQANCHMSA-N 1 0 452.574 3.955 20 0 JHADRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)Nc3cc(N4CCOCC4)c(Br)cn3)c2)C1 ZINC001306857285 1069662966 /nfs/dbraw/zinc/66/29/66/1069662966.db2.gz HBRGQMOJEBHHDA-SFHVURJKSA-N 1 0 459.388 3.742 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CC[NH+]2CCSCC2)cc1OC ZINC001314168235 1069671900 /nfs/dbraw/zinc/67/19/00/1069671900.db2.gz MXMMQCKUPYQDAQ-UHFFFAOYSA-N 1 0 463.623 3.586 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@@H]2CC=CCO2)cc1OC ZINC001314167355 1069668980 /nfs/dbraw/zinc/66/89/80/1069668980.db2.gz FVODCGOOYRHPLC-ZJOUEHCJSA-N 1 0 455.603 3.616 20 0 JHADRO C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC001306875977 1069670363 /nfs/dbraw/zinc/67/03/63/1069670363.db2.gz YNJRRLPPXJCETD-LBPRGKRZSA-N 1 0 456.959 3.620 20 0 JHADRO C[N@@H+]1CC[C@H](C(=O)N2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)[C@@H]1c1ccccc1 ZINC001306878698 1069671127 /nfs/dbraw/zinc/67/11/27/1069671127.db2.gz VNYZCWFAFPBAQA-HKBOAZHASA-N 1 0 451.533 3.719 20 0 JHADRO COc1cccc([C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c2ccccc2Cl)c1 ZINC001312015334 1069671503 /nfs/dbraw/zinc/67/15/03/1069671503.db2.gz DXCWAJRFHFTIQV-DVECYGJZSA-N 1 0 457.018 3.906 20 0 JHADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001312023434 1069676404 /nfs/dbraw/zinc/67/64/04/1069676404.db2.gz FXYKJHCTGQCUTN-HXUWFJFHSA-N 1 0 458.965 3.611 20 0 JHADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)N[C@@H]2CCOC3(CCCC3)C2)CC1 ZINC001312027508 1069682462 /nfs/dbraw/zinc/68/24/62/1069682462.db2.gz UTHRWPRNZFRLTO-LJQANCHMSA-N 1 0 454.537 3.748 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)cc1 ZINC001312026352 1069680291 /nfs/dbraw/zinc/68/02/91/1069680291.db2.gz UGJDXHUOLKNEES-NLJWQWLVSA-N 1 0 478.637 3.609 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2Cc2nnc(CC)s2)cc1OC ZINC001314170077 1069678623 /nfs/dbraw/zinc/67/86/23/1069678623.db2.gz YCODBQBOBMUKBZ-DLBZAZTESA-N 1 0 485.658 3.734 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC=C(C)CC3)n2CCCC[NH+]2CCOCC2)cc1OC ZINC001314170138 1069679218 /nfs/dbraw/zinc/67/92/18/1069679218.db2.gz QILXWGCKMUYGQO-UHFFFAOYSA-N 1 0 455.603 3.621 20 0 JHADRO COCC[C@H](NC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccco1 ZINC001312027810 1069682946 /nfs/dbraw/zinc/68/29/46/1069682946.db2.gz XEMQJHHVWVQNPH-SFHVURJKSA-N 1 0 454.493 3.627 20 0 JHADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001312038511 1069687569 /nfs/dbraw/zinc/68/75/69/1069687569.db2.gz WQCDBWJILRHPHJ-MOPGFXCFSA-N 1 0 450.421 3.524 20 0 JHADRO CCC[NH+]1CCN(c2ccc(Nc3ccc4nnc(Br)n4n3)cc2Cl)CC1 ZINC001306943232 1069686899 /nfs/dbraw/zinc/68/68/99/1069686899.db2.gz JJONEHBWLDFPHV-UHFFFAOYSA-N 1 0 450.772 3.816 20 0 JHADRO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC001312036449 1069686962 /nfs/dbraw/zinc/68/69/62/1069686962.db2.gz MDXUPYGIODJXRO-ZEQKJWHPSA-N 1 0 451.611 3.741 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCO[C@@](C)(CC)C3)n2CC2([NH+](C)C)CCC2)cc1OC ZINC001314174566 1069698769 /nfs/dbraw/zinc/69/87/69/1069698769.db2.gz NFCQPJCVAZEEJC-DEOSSOPVSA-N 1 0 457.619 3.842 20 0 JHADRO CCC[NH+](CCC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(F)cc2C1 ZINC001307004400 1069699747 /nfs/dbraw/zinc/69/97/47/1069699747.db2.gz CGTGSEGEGSGOMD-UHFFFAOYSA-N 1 0 456.610 3.728 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCCC[C@H](COC)C3)n2CC[NH+]2CCCC2)cc1OC ZINC001314175681 1069703350 /nfs/dbraw/zinc/70/33/50/1069703350.db2.gz YCBCBCWFQAJOCG-FQEVSTJZSA-N 1 0 457.619 3.701 20 0 JHADRO COC(=O)C1CC2(C1)C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CCS2 ZINC001312076363 1069709101 /nfs/dbraw/zinc/70/91/01/1069709101.db2.gz KJASPQDRXONDKT-YHWHNDNFSA-N 1 0 451.658 3.648 20 0 JHADRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC001312077723 1069709605 /nfs/dbraw/zinc/70/96/05/1069709605.db2.gz HCZRMYCOEZDHMG-UHFFFAOYSA-N 1 0 450.421 3.767 20 0 JHADRO CCCN(CCC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001307010670 1069710487 /nfs/dbraw/zinc/71/04/87/1069710487.db2.gz XVIQADVXLRMRAJ-XMMPIXPASA-N 1 0 472.707 3.516 20 0 JHADRO C[NH+](C)C1(CNC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)Cc2ccccc2C1 ZINC001312083249 1069711648 /nfs/dbraw/zinc/71/16/48/1069711648.db2.gz ORMNGIPNWYRXHM-NRFANRHFSA-N 1 0 458.400 3.631 20 0 JHADRO CCOc1ccc([C@H]2CCCN2c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](CC)C(C)C)cc1 ZINC001314179983 1069721487 /nfs/dbraw/zinc/72/14/87/1069721487.db2.gz ASJKTRFIDMOOGU-FYYLOGMGSA-N 1 0 489.686 3.651 20 0 JHADRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001312107586 1069723894 /nfs/dbraw/zinc/72/38/94/1069723894.db2.gz QOZBHTHOIAPHTK-RPBOFIJWSA-N 1 0 451.611 3.789 20 0 JHADRO CCOc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001314181037 1069724405 /nfs/dbraw/zinc/72/44/05/1069724405.db2.gz AMNRFXUEPFABMZ-HXUWFJFHSA-N 1 0 484.645 3.537 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001314182160 1069727770 /nfs/dbraw/zinc/72/77/70/1069727770.db2.gz FUAYARLBCAEOFE-NHCUHLMSSA-N 1 0 468.646 3.670 20 0 JHADRO CCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001307017883 1069726951 /nfs/dbraw/zinc/72/69/51/1069726951.db2.gz UHUPRKGWJTVHFB-UHFFFAOYSA-N 1 0 489.064 3.836 20 0 JHADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC001312119130 1069731278 /nfs/dbraw/zinc/73/12/78/1069731278.db2.gz LOIBKAARJDNPBH-MOPGFXCFSA-N 1 0 451.409 3.682 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001307028688 1069735890 /nfs/dbraw/zinc/73/58/90/1069735890.db2.gz AGUIBUQVRDOPDN-LJQANCHMSA-N 1 0 456.610 3.973 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC001307029002 1069735916 /nfs/dbraw/zinc/73/59/16/1069735916.db2.gz GGKIVKDTYKXNTD-HSZRJFAPSA-N 1 0 468.646 3.888 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC001307029621 1069737240 /nfs/dbraw/zinc/73/72/40/1069737240.db2.gz OESWBWMVCRQRRF-XMMPIXPASA-N 1 0 481.689 3.644 20 0 JHADRO CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC001314185096 1069737279 /nfs/dbraw/zinc/73/72/79/1069737279.db2.gz DJQRDPDVURHBNI-RBUKOAKNSA-N 1 0 456.635 3.562 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](NC(=O)OCC)C2)CC1 ZINC001307030328 1069738637 /nfs/dbraw/zinc/73/86/37/1069738637.db2.gz AUZLWGHBCAOAEY-QFIPXVFZSA-N 1 0 484.645 3.791 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H](C)OCCOC)nnc2N2CCc3ccc(Cl)cc3C2)C1 ZINC001307030633 1069739074 /nfs/dbraw/zinc/73/90/74/1069739074.db2.gz APRWEMSKMQFODA-RBUKOAKNSA-N 1 0 462.038 3.950 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H](COC)C2)C1 ZINC001307031116 1069740540 /nfs/dbraw/zinc/74/05/40/1069740540.db2.gz CTHPQZJAIHRRDU-ZWKOTPCHSA-N 1 0 479.467 3.641 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@H](NC(C)=O)C2)C1 ZINC001307031362 1069741643 /nfs/dbraw/zinc/74/16/43/1069741643.db2.gz DIQMDNKLTRXEKI-NHTMILBNSA-N 1 0 482.673 3.872 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCc2cnccn2)C1 ZINC001307031718 1069742392 /nfs/dbraw/zinc/74/23/92/1069742392.db2.gz NQGGGAPPQRDZRR-QGZVFWFLSA-N 1 0 457.985 3.938 20 0 JHADRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001312139601 1069743516 /nfs/dbraw/zinc/74/35/16/1069743516.db2.gz RXRCLUYYYXDGOQ-QGZVFWFLSA-N 1 0 455.466 3.602 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H]2CC=CCC2)C1 ZINC001307032557 1069745569 /nfs/dbraw/zinc/74/55/69/1069745569.db2.gz DRKJLLUBGUTCMK-RTWAWAEBSA-N 1 0 471.671 3.873 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](NC(=O)CC)C2)CC1 ZINC001307032839 1069746127 /nfs/dbraw/zinc/74/61/27/1069746127.db2.gz YCKPCISMQLSSDE-FQEVSTJZSA-N 1 0 474.053 3.611 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C)nnc2N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)C1 ZINC001307033120 1069746782 /nfs/dbraw/zinc/74/67/82/1069746782.db2.gz NGKMOEQMDMUPFP-FGZHOGPDSA-N 1 0 453.635 3.665 20 0 JHADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC001312153332 1069751745 /nfs/dbraw/zinc/75/17/45/1069751745.db2.gz GLHVRKUNQBUASA-GOSISDBHSA-N 1 0 452.521 3.603 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001307034921 1069751804 /nfs/dbraw/zinc/75/18/04/1069751804.db2.gz SZRCVHFAZBPOQY-OAQYLSRUSA-N 1 0 482.673 3.769 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001307034902 1069751935 /nfs/dbraw/zinc/75/19/35/1069751935.db2.gz SNMKHTJAWOHGEZ-HOTGVXAUSA-N 1 0 495.491 3.593 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001307033905 1069749023 /nfs/dbraw/zinc/74/90/23/1069749023.db2.gz NSJJGEYJWOCKSL-HLIPFELVSA-N 1 0 462.436 3.647 20 0 JHADRO CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC001314190306 1069749357 /nfs/dbraw/zinc/74/93/57/1069749357.db2.gz QROASLUUTVBILJ-UHFFFAOYSA-N 1 0 455.647 3.862 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H](CC)c3ccccc3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001307034134 1069749912 /nfs/dbraw/zinc/74/99/12/1069749912.db2.gz PHRZVFPMOGTMPH-BJKOFHAPSA-N 1 0 455.647 3.794 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307038062 1069760575 /nfs/dbraw/zinc/76/05/75/1069760575.db2.gz YWBQEESCEQCQCH-OYRHEFFESA-N 1 0 468.646 3.883 20 0 JHADRO O=C(NC1CCC([NH+]2CCCCC2)CC1)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F ZINC001312167632 1069761832 /nfs/dbraw/zinc/76/18/32/1069761832.db2.gz BEZYHQKYZIEDAZ-ACBHZAAOSA-N 1 0 452.521 3.603 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3)nnc2N(C)CC(C)(C)CN2CCOCC2)CC1 ZINC001307038667 1069762122 /nfs/dbraw/zinc/76/21/22/1069762122.db2.gz LIIRNNXPVNWUDE-UHFFFAOYSA-N 1 0 468.690 3.862 20 0 JHADRO C[NH+](C)[C@]1(CNC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCSC1 ZINC001312168755 1069762405 /nfs/dbraw/zinc/76/24/05/1069762405.db2.gz PZPCUQVMSWWIAG-MSYCTHLASA-N 1 0 454.681 3.635 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)C1 ZINC001307039145 1069762752 /nfs/dbraw/zinc/76/27/52/1069762752.db2.gz REVSOTPGYRANKW-DEOSSOPVSA-N 1 0 495.716 3.586 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccsc3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001307039461 1069764323 /nfs/dbraw/zinc/76/43/23/1069764323.db2.gz APALYPDAIJQMHL-UHFFFAOYSA-N 1 0 461.676 3.888 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC001307039483 1069764357 /nfs/dbraw/zinc/76/43/57/1069764357.db2.gz WVJIMALKEHGWMO-QZTJIDSGSA-N 1 0 497.656 3.527 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001307039901 1069764850 /nfs/dbraw/zinc/76/48/50/1069764850.db2.gz GHMVVLPNYXYTHX-NRFANRHFSA-N 1 0 481.563 3.767 20 0 JHADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC001312171867 1069765042 /nfs/dbraw/zinc/76/50/42/1069765042.db2.gz WZWZIAOUCAUFTD-UHFFFAOYSA-N 1 0 455.430 3.908 20 0 JHADRO CCOC(=O)c1sc(CNC(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)nc1C ZINC001312171670 1069765106 /nfs/dbraw/zinc/76/51/06/1069765106.db2.gz UBSHRKQPEMOZAH-OAHLLOKOSA-N 1 0 458.506 3.749 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H](c2cccnc2)C1 ZINC001312181710 1069769124 /nfs/dbraw/zinc/76/91/24/1069769124.db2.gz JBWARNOYUNEXIE-JOCHJYFZSA-N 1 0 457.619 3.792 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(CC(=O)NC)CC2)CC1 ZINC001307041153 1069768578 /nfs/dbraw/zinc/76/85/78/1069768578.db2.gz GHXVAJAVNXDVFH-UHFFFAOYSA-N 1 0 496.700 3.948 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001307041840 1069769900 /nfs/dbraw/zinc/76/99/00/1069769900.db2.gz VCQSCSMFBUZCHZ-PMACEKPBSA-N 1 0 466.552 3.544 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 ZINC001307041982 1069770669 /nfs/dbraw/zinc/77/06/69/1069770669.db2.gz OEXKMYIAQDQMIW-FCHUYYIVSA-N 1 0 469.630 3.595 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(F)(F)C2)CC1 ZINC001307042134 1069771414 /nfs/dbraw/zinc/77/14/14/1069771414.db2.gz DDKPQOLGQBBFKF-LJQANCHMSA-N 1 0 498.619 3.554 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCOC3)nnc2N(C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC001307042303 1069772103 /nfs/dbraw/zinc/77/21/03/1069772103.db2.gz FGNBKOYQWVEBPD-QFIPXVFZSA-N 1 0 468.646 3.596 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001307042424 1069772192 /nfs/dbraw/zinc/77/21/92/1069772192.db2.gz QHGYBJSDCNPNCA-HSZRJFAPSA-N 1 0 482.673 3.689 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cnn(CC)c3)C2)CC1 ZINC001307043139 1069773705 /nfs/dbraw/zinc/77/37/05/1069773705.db2.gz HINBJQWMSOMATG-QFIPXVFZSA-N 1 0 457.667 3.783 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCn2ccnn2)cc1 ZINC001314197337 1069777104 /nfs/dbraw/zinc/77/71/04/1069777104.db2.gz FHQAAMKIXPKELR-NRFANRHFSA-N 1 0 496.660 3.809 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C3CCCC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001307044181 1069777270 /nfs/dbraw/zinc/77/72/70/1069777270.db2.gz WSJXQGGHDDKYBL-QFIPXVFZSA-N 1 0 490.693 3.788 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCC([C@H](O)c3ccc(F)cc3)CC2)C1 ZINC001307044635 1069778770 /nfs/dbraw/zinc/77/87/70/1069778770.db2.gz HMMORVFVIVVCNZ-NTKDMRAZSA-N 1 0 459.610 3.636 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001307044598 1069779123 /nfs/dbraw/zinc/77/91/23/1069779123.db2.gz RRWUPFWTGTYOIK-QFIPXVFZSA-N 1 0 490.693 3.740 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001307046203 1069784456 /nfs/dbraw/zinc/78/44/56/1069784456.db2.gz PHJOAHNCWOFUQM-UHFFFAOYSA-N 1 0 496.700 3.901 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001307046644 1069786038 /nfs/dbraw/zinc/78/60/38/1069786038.db2.gz YCMMNAZCTFFTHP-KRWDZBQOSA-N 1 0 454.953 3.728 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCOCC2)CC1 ZINC001307047200 1069788346 /nfs/dbraw/zinc/78/83/46/1069788346.db2.gz RCMAQHUOAGNTHE-NRFANRHFSA-N 1 0 476.666 3.699 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001312218641 1069788820 /nfs/dbraw/zinc/78/88/20/1069788820.db2.gz GXBNOUUGPNKFMK-XKCAEOMCSA-N 1 0 456.631 3.650 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001312217571 1069788946 /nfs/dbraw/zinc/78/89/46/1069788946.db2.gz ACFUUNZRYGRDEK-VURPSTOHSA-N 1 0 462.610 3.790 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)C1 ZINC001307047394 1069789081 /nfs/dbraw/zinc/78/90/81/1069789081.db2.gz ZHVGBQURQIHRES-BBTUJRGHSA-N 1 0 497.562 3.754 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N(C)[C@@H](C)c3cccc(O)c3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001307047480 1069789753 /nfs/dbraw/zinc/78/97/53/1069789753.db2.gz TZRFHMGNMJQJPW-WOVHNISZSA-N 1 0 471.646 3.954 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2cccs2)CC1 ZINC001307047944 1069791930 /nfs/dbraw/zinc/79/19/30/1069791930.db2.gz GOVJOGKOVYUZIM-DEOSSOPVSA-N 1 0 454.644 3.544 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccn3C)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001307049810 1069798670 /nfs/dbraw/zinc/79/86/70/1069798670.db2.gz OMSULLPDSZOKET-UHFFFAOYSA-N 1 0 456.664 3.792 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 ZINC001307049858 1069798683 /nfs/dbraw/zinc/79/86/83/1069798683.db2.gz SOLYNIICYIFMIS-OAQYLSRUSA-N 1 0 468.646 3.601 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001307049467 1069797505 /nfs/dbraw/zinc/79/75/05/1069797505.db2.gz MITGLLXUUHYGNF-ICSRJNTNSA-N 1 0 471.568 3.823 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@H](c4nc(C)no4)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001314201791 1069797791 /nfs/dbraw/zinc/79/77/91/1069797791.db2.gz OUYCTKUXGGEPJQ-NSHGMRRFSA-N 1 0 483.617 3.842 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(Cl)c3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001307049630 1069797971 /nfs/dbraw/zinc/79/79/71/1069797971.db2.gz MCVJDXUBNOPXCC-UHFFFAOYSA-N 1 0 472.943 3.588 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(F)cn2)CC1 ZINC001307050606 1069800717 /nfs/dbraw/zinc/80/07/17/1069800717.db2.gz SGHPNZNVMIGSQG-UHFFFAOYSA-N 1 0 490.425 3.939 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001307050527 1069801051 /nfs/dbraw/zinc/80/10/51/1069801051.db2.gz YLJOTHZESCWQIR-LEWJYISDSA-N 1 0 476.666 3.745 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)cc2F)CC1 ZINC001307050532 1069801177 /nfs/dbraw/zinc/80/11/77/1069801177.db2.gz YPKMFVJEHSHKIL-UHFFFAOYSA-N 1 0 463.001 3.666 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001307051512 1069804470 /nfs/dbraw/zinc/80/44/70/1069804470.db2.gz QASLDNXSLMNKON-DHIUTWEWSA-N 1 0 452.647 3.750 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCCN(CC)C(=O)C3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001314202449 1069802509 /nfs/dbraw/zinc/80/25/09/1069802509.db2.gz QHLVEKZMEKCBQW-YADHBBJMSA-N 1 0 498.672 3.750 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001314202561 1069803028 /nfs/dbraw/zinc/80/30/28/1069803028.db2.gz MRQPJXOSOKWUET-WOJBJXKFSA-N 1 0 457.619 3.916 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCCOCC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001314202640 1069803140 /nfs/dbraw/zinc/80/31/40/1069803140.db2.gz XZXZLHNZTCBXJU-LEWJYISDSA-N 1 0 457.619 3.775 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(Br)c3)n2CC(C)(C)O)CC1 ZINC001307051113 1069803114 /nfs/dbraw/zinc/80/31/14/1069803114.db2.gz XJMJJEYWUYTYDG-UHFFFAOYSA-N 1 0 450.425 3.789 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCSC2)CC1 ZINC001307051184 1069803651 /nfs/dbraw/zinc/80/36/51/1069803651.db2.gz KSPFZHXXLBZVEN-VWLOTQADSA-N 1 0 473.687 3.653 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 ZINC001307051672 1069805371 /nfs/dbraw/zinc/80/53/71/1069805371.db2.gz RRARDHKXXQLRMN-VQTJNVASSA-N 1 0 459.610 3.979 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001307051878 1069805564 /nfs/dbraw/zinc/80/55/64/1069805564.db2.gz UWQRWCXPTMTLLQ-GOSISDBHSA-N 1 0 452.525 3.902 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C)n3)n2CCOc2ncccc2F)CC1 ZINC001307051779 1069805785 /nfs/dbraw/zinc/80/57/85/1069805785.db2.gz MXDGASJPSVXJAT-UHFFFAOYSA-N 1 0 453.566 3.572 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccnc3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC001307051799 1069805959 /nfs/dbraw/zinc/80/59/59/1069805959.db2.gz NLYIGXYYBKYIJL-UHFFFAOYSA-N 1 0 475.641 3.595 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[NH+]2CCCC2)cc1 ZINC001314203246 1069806877 /nfs/dbraw/zinc/80/68/77/1069806877.db2.gz OHOHADCPFKXDAO-OFNKIYASSA-N 1 0 457.619 3.774 20 0 JHADRO C[C@H]1C[C@@H](NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312249720 1069808172 /nfs/dbraw/zinc/80/81/72/1069808172.db2.gz ABSNFYAZQNVSGL-YADARESESA-N 1 0 452.574 3.527 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001307052919 1069810372 /nfs/dbraw/zinc/81/03/72/1069810372.db2.gz ABIWTPMWYYRRFL-FPOVZHCZSA-N 1 0 485.629 3.616 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](COC)C1 ZINC001307053945 1069814011 /nfs/dbraw/zinc/81/40/11/1069814011.db2.gz GTSFITDHGRHJIB-TZIWHRDSSA-N 1 0 479.572 3.663 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 ZINC001307055806 1069823804 /nfs/dbraw/zinc/82/38/04/1069823804.db2.gz AJJXUMHJLJHZJK-QHCPKHFHSA-N 1 0 454.663 3.826 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(CC)n3Cc3ccccc3C[N@H+](C)C(C)C)CC2)n1 ZINC001314207879 1069822389 /nfs/dbraw/zinc/82/23/89/1069822389.db2.gz DLRDVXNZEUCXLN-UHFFFAOYSA-N 1 0 477.657 3.849 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)c(OCC)c2)CC1 ZINC001307055086 1069819084 /nfs/dbraw/zinc/81/90/84/1069819084.db2.gz JLVUNSRWZVIJKY-NRFANRHFSA-N 1 0 471.646 3.938 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cnccn1 ZINC001307055241 1069821138 /nfs/dbraw/zinc/82/11/38/1069821138.db2.gz OHCHPOHUYTZJJB-NRFANRHFSA-N 1 0 465.602 3.653 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001307056156 1069824910 /nfs/dbraw/zinc/82/49/10/1069824910.db2.gz CHVIVPCMNQOVER-QHCPKHFHSA-N 1 0 498.720 3.511 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001307056511 1069827719 /nfs/dbraw/zinc/82/77/19/1069827719.db2.gz UHWGURBQBMKLHW-JOCHJYFZSA-N 1 0 468.646 3.523 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N(CCO)Cc1cc(Br)ccc1F ZINC001307056611 1069828067 /nfs/dbraw/zinc/82/80/67/1069828067.db2.gz UVLQEFPZVLXUFN-IBGZPJMESA-N 1 0 468.415 3.752 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001307056882 1069829436 /nfs/dbraw/zinc/82/94/36/1069829436.db2.gz CSJWTVNWMUIHPD-CTNGQTDRSA-N 1 0 489.690 3.613 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001307056674 1069829495 /nfs/dbraw/zinc/82/94/95/1069829495.db2.gz WBJQCZQCHPRDCT-OAQYLSRUSA-N 1 0 459.708 3.927 20 0 JHADRO CCOc1ccccc1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001314210101 1069831101 /nfs/dbraw/zinc/83/11/01/1069831101.db2.gz KJEWFWMYWAZEIE-QFIPXVFZSA-N 1 0 496.700 3.960 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001307057224 1069832866 /nfs/dbraw/zinc/83/28/66/1069832866.db2.gz XATABSOACJEKDP-JOCHJYFZSA-N 1 0 490.693 3.583 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CCOC)CC1 ZINC001307058622 1069840129 /nfs/dbraw/zinc/84/01/29/1069840129.db2.gz OPBQGUOXJTZTFV-HSZRJFAPSA-N 1 0 475.081 3.555 20 0 JHADRO CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314213507 1069840755 /nfs/dbraw/zinc/84/07/55/1069840755.db2.gz KVUGUAIJLAEXKU-UHFFFAOYSA-N 1 0 470.662 3.954 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001307058826 1069842585 /nfs/dbraw/zinc/84/25/85/1069842585.db2.gz QLGFZGCTNWVKLY-QWFCFKBJSA-N 1 0 495.640 3.920 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001307058991 1069842631 /nfs/dbraw/zinc/84/26/31/1069842631.db2.gz RRHBKFXPJASJCZ-OALUTQOASA-N 1 0 471.568 3.784 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001307058318 1069838714 /nfs/dbraw/zinc/83/87/14/1069838714.db2.gz YXUKPUDEBNGIBZ-IFMALSPDSA-N 1 0 490.693 3.882 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)ccc1F ZINC001307058483 1069839425 /nfs/dbraw/zinc/83/94/25/1069839425.db2.gz NTQWRYUNUOFMEX-CTNGQTDRSA-N 1 0 477.650 3.529 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC=C(Br)C1 ZINC001307059427 1069844226 /nfs/dbraw/zinc/84/42/26/1069844226.db2.gz WREVTLJWPULRHW-IEBWSBKVSA-N 1 0 452.441 3.926 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001307059306 1069844467 /nfs/dbraw/zinc/84/44/67/1069844467.db2.gz RNQOKXSZPQOTBR-VQTJNVASSA-N 1 0 484.611 3.780 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001307059538 1069845342 /nfs/dbraw/zinc/84/53/42/1069845342.db2.gz UKXPJHIQSCGZAP-DHIUTWEWSA-N 1 0 468.646 3.535 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001307059704 1069845919 /nfs/dbraw/zinc/84/59/19/1069845919.db2.gz ZBZDSGWFMONBFH-CTNGQTDRSA-N 1 0 490.718 3.976 20 0 JHADRO CCOc1ccccc1N1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001314215224 1069846226 /nfs/dbraw/zinc/84/62/26/1069846226.db2.gz HVQMXQMPPOFAAU-HSZRJFAPSA-N 1 0 456.635 3.585 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](c2ccco2)[NH+](C)C)CC1=O ZINC001307060430 1069849369 /nfs/dbraw/zinc/84/93/69/1069849369.db2.gz JHENAIDKOWWTET-TZIWHRDSSA-N 1 0 498.603 3.902 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC001312305522 1069849444 /nfs/dbraw/zinc/84/94/44/1069849444.db2.gz PQKGWZRIQDTRJI-NQERJWCQSA-N 1 0 453.480 3.740 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC001312306078 1069850902 /nfs/dbraw/zinc/85/09/02/1069850902.db2.gz RMLIUOBOFZHBCE-IPMKNSEASA-N 1 0 454.315 3.505 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC1CC[NH+](CC)CC1 ZINC001314217187 1069852512 /nfs/dbraw/zinc/85/25/12/1069852512.db2.gz NUKPPIAWLVUXLW-OYRHEFFESA-N 1 0 471.646 3.991 20 0 JHADRO CCCN1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCC[C@@H]2C)CC1=O ZINC001307061914 1069855855 /nfs/dbraw/zinc/85/58/55/1069855855.db2.gz RPDZAIGJSCASIH-GMAHTHKFSA-N 1 0 482.673 3.968 20 0 JHADRO C[C@H]1C[C@@H](CCNC(=O)N2CCC(NC(=O)c3ccsc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312315664 1069858447 /nfs/dbraw/zinc/85/84/47/1069858447.db2.gz YFJXJQLYGBJZTE-PZJWPPBQSA-N 1 0 454.640 3.953 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001307063288 1069863063 /nfs/dbraw/zinc/86/30/63/1069863063.db2.gz PLEFZCOULJUMLF-HXUWFJFHSA-N 1 0 452.603 3.899 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCO[C@H](C)C1 ZINC001307064632 1069867671 /nfs/dbraw/zinc/86/76/71/1069867671.db2.gz DJIMNWYVJAFCIE-YUMYIRISSA-N 1 0 490.693 3.929 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)[NH+](CC)CC)CC1=O ZINC001307064851 1069868046 /nfs/dbraw/zinc/86/80/46/1069868046.db2.gz UQUFPDYFAGULHB-GOSISDBHSA-N 1 0 477.053 3.786 20 0 JHADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC001312337139 1069872352 /nfs/dbraw/zinc/87/23/52/1069872352.db2.gz QREONNKFDYPWCT-VFNWGFHPSA-N 1 0 459.953 3.504 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@H](COC)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314221441 1069872400 /nfs/dbraw/zinc/87/24/00/1069872400.db2.gz YOCVDRVSFDLQCT-NZQKXSOJSA-N 1 0 471.646 3.849 20 0 JHADRO CC1CC[NH+](C2CCC(NC(=O)NC[C@H](O)COc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001312353175 1069881421 /nfs/dbraw/zinc/88/14/21/1069881421.db2.gz SVCXTLGYTWMGDG-MHJFOBGBSA-N 1 0 457.537 3.787 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[C@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314222730 1069878487 /nfs/dbraw/zinc/87/84/87/1069878487.db2.gz QIXPWLOPBWFUJS-YADARESESA-N 1 0 459.660 3.929 20 0 JHADRO CN(C[C@H](O)COCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001312358546 1069885526 /nfs/dbraw/zinc/88/55/26/1069885526.db2.gz XILSICRHVYPXBS-KEVKATSASA-N 1 0 451.611 3.506 20 0 JHADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001312358047 1069884819 /nfs/dbraw/zinc/88/48/19/1069884819.db2.gz VACWBAAJNKTMIQ-DODNOZFWSA-N 1 0 456.631 3.984 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314224672 1069887374 /nfs/dbraw/zinc/88/73/74/1069887374.db2.gz GCNJOVMPUDBFFS-REWPJTCUSA-N 1 0 471.646 3.847 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCSCC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001314224962 1069888573 /nfs/dbraw/zinc/88/85/73/1069888573.db2.gz BNGCJLTVEIBGOA-HXUWFJFHSA-N 1 0 459.660 3.929 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@](C)(O)CC ZINC001314224730 1069887199 /nfs/dbraw/zinc/88/71/99/1069887199.db2.gz USGRPGQZHDRWIY-RUZDIDTESA-N 1 0 459.635 3.727 20 0 JHADRO CN(C)c1nccc(CNC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)n1 ZINC001312371971 1069893488 /nfs/dbraw/zinc/89/34/88/1069893488.db2.gz JRDUVKBMRBKSTA-UHFFFAOYSA-N 1 0 451.402 3.657 20 0 JHADRO C[C@@H](NC(=O)N1CCN(C(=O)OCc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312378609 1069896645 /nfs/dbraw/zinc/89/66/45/1069896645.db2.gz AZMOLLAVLWQIHA-ZJSXRUAMSA-N 1 0 450.583 3.561 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1OCC[C@H]1C ZINC001314226804 1069898569 /nfs/dbraw/zinc/89/85/69/1069898569.db2.gz IEGCQXGIMBKMPR-DENIHFKCSA-N 1 0 457.619 3.601 20 0 JHADRO COc1ccc(C)cc1CN1CCN(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001312383087 1069899276 /nfs/dbraw/zinc/89/92/76/1069899276.db2.gz MIWJEZUNRHBNAM-UPVQGACJSA-N 1 0 450.627 3.741 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCCO[C@H](C)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001314227954 1069904730 /nfs/dbraw/zinc/90/47/30/1069904730.db2.gz RYYNCABTJUOUML-FGZHOGPDSA-N 1 0 471.646 3.993 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001314227940 1069904932 /nfs/dbraw/zinc/90/49/32/1069904932.db2.gz RMZHQNHQCJTKRW-LJQANCHMSA-N 1 0 479.572 3.601 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc(C4CCCC4)n3C[C@@H](C)[NH+](CC)CC)CC2)n1 ZINC001314228593 1069907697 /nfs/dbraw/zinc/90/76/97/1069907697.db2.gz CRNJAJILQZYAHL-HXUWFJFHSA-N 1 0 470.666 3.571 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@H](C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314229373 1069912002 /nfs/dbraw/zinc/91/20/02/1069912002.db2.gz TXBOGIIEVJQTCL-HXUWFJFHSA-N 1 0 457.619 3.603 20 0 JHADRO COC(=O)c1ccc2c(c1)nc(SC[C@H]1CC[N@H+](C)C1)n(Cc1ccccc1Cl)c2=O ZINC001307248530 1069914892 /nfs/dbraw/zinc/91/48/92/1069914892.db2.gz PGFMOIVKDWFQHW-HNNXBMFYSA-N 1 0 457.983 3.929 20 0 JHADRO C[C@H](N1CCN(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1)C(F)(F)F ZINC001312410651 1069916199 /nfs/dbraw/zinc/91/61/99/1069916199.db2.gz CEJVLCGGFRVUMZ-JCKWVBRZSA-N 1 0 450.908 3.750 20 0 JHADRO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001312419241 1069923841 /nfs/dbraw/zinc/92/38/41/1069923841.db2.gz SFQNLMDGMNPJMP-NGYIFUPDSA-N 1 0 455.624 3.847 20 0 JHADRO CN1CCO[C@@H]([C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)c2ccc(Cl)cc2)C1 ZINC001312427526 1069929771 /nfs/dbraw/zinc/92/97/71/1069929771.db2.gz WMAQJFOBDZQHQJ-NHCUHLMSSA-N 1 0 451.036 3.547 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3nnc(Cc4ccccc4F)o3)cc2)CC1 ZINC001307301973 1069933306 /nfs/dbraw/zinc/93/33/06/1069933306.db2.gz YKACQIOOGSUHCI-UHFFFAOYSA-N 1 0 455.559 3.672 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001312444402 1069941072 /nfs/dbraw/zinc/94/10/72/1069941072.db2.gz STSBTTSPDHYBHL-NRJQMVOHSA-N 1 0 458.965 3.652 20 0 JHADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3cc(Cl)cnc3Br)CC2)cc1 ZINC001307324540 1069947861 /nfs/dbraw/zinc/94/78/61/1069947861.db2.gz USDLDJSJYXMISJ-UHFFFAOYSA-N 1 0 452.780 3.919 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccccn3)n2CC2(SC)CC[NH+](C)CC2)C1(C)C ZINC001314242740 1069949482 /nfs/dbraw/zinc/94/94/82/1069949482.db2.gz IGFHDRVIQVCILS-VQTJNVASSA-N 1 0 458.676 3.807 20 0 JHADRO CN(CCCC[NH+]1CCCCC1)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001312453217 1069946223 /nfs/dbraw/zinc/94/62/23/1069946223.db2.gz CXZVHYOSXPGMLE-LJQANCHMSA-N 1 0 454.537 3.714 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC001312486858 1069965279 /nfs/dbraw/zinc/96/52/79/1069965279.db2.gz CXCBDSHYQINYSZ-NQHRYMMQSA-N 1 0 452.668 3.671 20 0 JHADRO C[C@H](NC(=O)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001312479417 1069961128 /nfs/dbraw/zinc/96/11/28/1069961128.db2.gz KCXPBMQXJJIGLW-KSEOMHKRSA-N 1 0 458.622 3.907 20 0 JHADRO CC[N@H+](CCNC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1)CCC(F)(F)F ZINC001312489135 1069967647 /nfs/dbraw/zinc/96/76/47/1069967647.db2.gz KAARDPOSZUWHKS-GVDBMIGSSA-N 1 0 450.546 3.596 20 0 JHADRO CCO[C@H]1C[C@@H](N(C)c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCCCC2)C1(C)C ZINC001314249866 1069974066 /nfs/dbraw/zinc/97/40/66/1069974066.db2.gz ZCCXBLCCKBPPHE-UXHICEINSA-N 1 0 483.661 3.830 20 0 JHADRO C[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001307424508 1069977578 /nfs/dbraw/zinc/97/75/78/1069977578.db2.gz NMTDQYCZGCIYED-FYYLOGMGSA-N 1 0 459.631 3.631 20 0 JHADRO C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001312518029 1069985584 /nfs/dbraw/zinc/98/55/84/1069985584.db2.gz SQAWUCASCAHNKM-XZOQPEGZSA-N 1 0 458.647 3.969 20 0 JHADRO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)c1 ZINC001307442049 1069985660 /nfs/dbraw/zinc/98/56/60/1069985660.db2.gz MBTHBIFMFLBTCY-JOCHJYFZSA-N 1 0 457.640 3.919 20 0 JHADRO 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CCOC1CC(O)(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001314260241 1070000344 /nfs/dbraw/zinc/00/03/44/1070000344.db2.gz WPGCYDNGWPQOBC-UHFFFAOYSA-N 1 0 482.456 3.960 20 0 JHADRO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 ZINC001307464909 1070001677 /nfs/dbraw/zinc/00/16/77/1070001677.db2.gz LLMVLHGZGJORJT-PKOBYXMFSA-N 1 0 451.558 3.812 20 0 JHADRO CCOC(=O)c1c2c(sc1NC(=O)CN1CCC[N@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC001307481927 1070009433 /nfs/dbraw/zinc/00/94/33/1070009433.db2.gz KZZOYYHQRBMROT-GOSISDBHSA-N 1 0 455.624 3.948 20 0 JHADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC001312554160 1070010160 /nfs/dbraw/zinc/01/01/60/1070010160.db2.gz YWOPGSQJRQZSCP-IBGZPJMESA-N 1 0 457.518 3.601 20 0 JHADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H]1CCCN(c3ccc(Br)c(C)c3)C1=O)CC2 ZINC001307490261 1070014650 /nfs/dbraw/zinc/01/46/50/1070014650.db2.gz MOMDHMPOPUSWGK-XUVXKRRUSA-N 1 0 451.405 3.505 20 0 JHADRO 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C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001307572573 1070059240 /nfs/dbraw/zinc/05/92/40/1070059240.db2.gz BSRKNNKUNOJTNC-YVCBRDFCSA-N 1 0 453.549 3.504 20 0 JHADRO CC1CCN(Cc2csc(NC(=O)CN3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)n2)CC1 ZINC001307588095 1070066612 /nfs/dbraw/zinc/06/66/12/1070066612.db2.gz CDMDLIUAONHION-NHCUHLMSSA-N 1 0 455.672 3.908 20 0 JHADRO Cc1cc(C[N@H+](CC(C)C)C[C@H](O)c2cc(Br)no2)nc(N2CCCCC2)n1 ZINC001307589395 1070068949 /nfs/dbraw/zinc/06/89/49/1070068949.db2.gz AWHZZOTUARLWBG-KRWDZBQOSA-N 1 0 452.397 3.717 20 0 JHADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001312663167 1070069781 /nfs/dbraw/zinc/06/97/81/1070069781.db2.gz YOJZQYPXUFLPMG-BLIXFSHQSA-N 1 0 453.505 3.744 20 0 JHADRO CC1CCN(Cc2csc(NC(=O)CN3C[C@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)n2)CC1 ZINC001307588094 1070067136 /nfs/dbraw/zinc/06/71/36/1070067136.db2.gz CDMDLIUAONHION-LEWJYISDSA-N 1 0 455.672 3.908 20 0 JHADRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)C1 ZINC001307587787 1070067289 /nfs/dbraw/zinc/06/72/89/1070067289.db2.gz QFMWTEPUVPAFJO-JOCHJYFZSA-N 1 0 459.594 3.895 20 0 JHADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC001307599762 1070074428 /nfs/dbraw/zinc/07/44/28/1070074428.db2.gz STSWEHNHFZFLJK-FQEVSTJZSA-N 1 0 459.553 3.877 20 0 JHADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001307610654 1070080960 /nfs/dbraw/zinc/08/09/60/1070080960.db2.gz KQCOLQHYQIFTJW-INIZCTEOSA-N 1 0 454.502 3.604 20 0 JHADRO CCOCc1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314302726 1070088110 /nfs/dbraw/zinc/08/81/10/1070088110.db2.gz XEXLGOPUFVIORV-DEOSSOPVSA-N 1 0 465.646 3.947 20 0 JHADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)ccc1OCc1ccccc1 ZINC001307632575 1070091029 /nfs/dbraw/zinc/09/10/29/1070091029.db2.gz RCMKHSYPGIKBBA-WIYYLYMNSA-N 1 0 454.567 3.867 20 0 JHADRO 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CCOCc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001314324004 1070109700 /nfs/dbraw/zinc/10/97/00/1070109700.db2.gz ARWZCBSFXDMKIV-NRFANRHFSA-N 1 0 488.702 3.796 20 0 JHADRO COC(=O)COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC001307664346 1070110276 /nfs/dbraw/zinc/11/02/76/1070110276.db2.gz FUQIAERVBNJQOK-GFCCVEGCSA-N 1 0 455.736 3.944 20 0 JHADRO C[C@@H](N[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307668509 1070112744 /nfs/dbraw/zinc/11/27/44/1070112744.db2.gz HNXWCCAJOVRSET-OWCLPIDISA-N 1 0 452.521 3.622 20 0 JHADRO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC001307668507 1070112881 /nfs/dbraw/zinc/11/28/81/1070112881.db2.gz HNXWCCAJOVRSET-JYJNAYRXSA-N 1 0 452.521 3.622 20 0 JHADRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC001307671818 1070115527 /nfs/dbraw/zinc/11/55/27/1070115527.db2.gz HPIFMVSFQQILHA-NTKDMRAZSA-N 1 0 451.596 3.905 20 0 JHADRO CCOCc1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001314327592 1070116039 /nfs/dbraw/zinc/11/60/39/1070116039.db2.gz SJSVFKATIUZTFO-OALUTQOASA-N 1 0 451.681 3.568 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001314327347 1070116114 /nfs/dbraw/zinc/11/61/14/1070116114.db2.gz CWXZIJMQGDHLBL-HSZRJFAPSA-N 1 0 488.721 3.802 20 0 JHADRO CCOCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H](F)c1ccc(Br)cc1 ZINC001314328265 1070116886 /nfs/dbraw/zinc/11/68/86/1070116886.db2.gz RSKXWPRZHSHOIL-SNRMKQJTSA-N 1 0 466.399 3.961 20 0 JHADRO CCOCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCc1ccc(OC)c(Br)c1 ZINC001314329201 1070120093 /nfs/dbraw/zinc/12/00/93/1070120093.db2.gz WJVPWWGIBCBKJO-FUHWJXTLSA-N 1 0 478.435 3.501 20 0 JHADRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001307677687 1070120460 /nfs/dbraw/zinc/12/04/60/1070120460.db2.gz AQRHGRVUJGLKCX-GOSISDBHSA-N 1 0 455.452 3.587 20 0 JHADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001307680528 1070122100 /nfs/dbraw/zinc/12/21/00/1070122100.db2.gz VGXNAHAOHXWEHU-LJQANCHMSA-N 1 0 459.384 3.977 20 0 JHADRO COc1cc(NC(=O)C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)cc(OC)c1OC ZINC001307680862 1070122152 /nfs/dbraw/zinc/12/21/52/1070122152.db2.gz UWQSAZAGDJZQIG-UHFFFAOYSA-N 1 0 457.449 3.512 20 0 JHADRO CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](CC)CC)C2 ZINC001312784819 1070120137 /nfs/dbraw/zinc/12/01/37/1070120137.db2.gz ABVMOVYDSKJIQI-JPYJTQIMSA-N 1 0 455.603 3.619 20 0 JHADRO CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](CC)CC)C2 ZINC001312784820 1070120144 /nfs/dbraw/zinc/12/01/44/1070120144.db2.gz ABVMOVYDSKJIQI-MBSDFSHPSA-N 1 0 455.603 3.619 20 0 JHADRO CCOCc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001314334504 1070128776 /nfs/dbraw/zinc/12/87/76/1070128776.db2.gz QAMSJXFORLTPPJ-WZONZLPQSA-N 1 0 462.038 3.902 20 0 JHADRO C[C@@H](NC(=O)C[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC001307691545 1070129181 /nfs/dbraw/zinc/12/91/81/1070129181.db2.gz GMPJPLOGERKZSR-KDOFPFPSSA-N 1 0 459.509 3.998 20 0 JHADRO OCC1(C[C@H](O)C[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3Br)no2)CCCC1 ZINC001307687459 1070126541 /nfs/dbraw/zinc/12/65/41/1070126541.db2.gz AORIICXACUMMKK-YJBOKZPZSA-N 1 0 450.377 3.940 20 0 JHADRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001307694270 1070131098 /nfs/dbraw/zinc/13/10/98/1070131098.db2.gz NIPBLGSYJNYCSL-IIBYNOLFSA-N 1 0 456.530 3.842 20 0 JHADRO CCOCc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001314337070 1070132465 /nfs/dbraw/zinc/13/24/65/1070132465.db2.gz SPSHQCKGQHNJAO-FKBYEOEOSA-N 1 0 492.709 3.922 20 0 JHADRO CCOCc1nnc(N2CCC(c3ccnn3C)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314337466 1070133354 /nfs/dbraw/zinc/13/33/54/1070133354.db2.gz CTPWALMFTSVDSQ-BGYRXZFFSA-N 1 0 457.667 3.689 20 0 JHADRO CC[C@@H]([NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1)c1cc(F)cc(Br)c1 ZINC001307697551 1070133421 /nfs/dbraw/zinc/13/34/21/1070133421.db2.gz UTQWHZZPXIPJHX-QZTJIDSGSA-N 1 0 450.308 3.507 20 0 JHADRO Cc1ccc(N(C(=O)C[NH2+][C@@H](C)c2ccc3ncsc3c2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC001307698262 1070133498 /nfs/dbraw/zinc/13/34/98/1070133498.db2.gz CDEQMZJRXRNPRL-PXNSSMCTSA-N 1 0 455.605 3.908 20 0 JHADRO CC(C)Oc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2N2CCOCC2)[NH+](C)C)cc1 ZINC001312806401 1070133963 /nfs/dbraw/zinc/13/39/63/1070133963.db2.gz QBOBOWKVJXFPOS-VWLOTQADSA-N 1 0 454.615 3.755 20 0 JHADRO CCOCc1nnc(N2CC[C@H](c3ccccc3OC)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314338649 1070135629 /nfs/dbraw/zinc/13/56/29/1070135629.db2.gz JVTLHGDAMRWEIS-IBGZPJMESA-N 1 0 459.660 3.645 20 0 JHADRO CCOCc1nnc(N2CCC(c3cnn(C)c3)CC2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001314338741 1070135635 /nfs/dbraw/zinc/13/56/35/1070135635.db2.gz GSJIIITZJPUYLF-HSZRJFAPSA-N 1 0 451.619 3.543 20 0 JHADRO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC001307705073 1070135840 /nfs/dbraw/zinc/13/58/40/1070135840.db2.gz ILLNJPMJKKXEMQ-JTHBVZDNSA-N 1 0 452.378 3.952 20 0 JHADRO CN(CCCOc1ccc(F)cc1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001307705151 1070136821 /nfs/dbraw/zinc/13/68/21/1070136821.db2.gz GBWZINZJNPMPLD-GHTZIAJQSA-N 1 0 451.583 3.726 20 0 JHADRO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c2ncccc12 ZINC001307712864 1070140516 /nfs/dbraw/zinc/14/05/16/1070140516.db2.gz LDLYDOLRUYOEND-KRWDZBQOSA-N 1 0 453.564 3.754 20 0 JHADRO COc1cc(OC)cc(C2(F)CC[NH+](C[C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001307720939 1070145902 /nfs/dbraw/zinc/14/59/02/1070145902.db2.gz BTUIJAVEFSOJQF-QHCPKHFHSA-N 1 0 452.567 3.726 20 0 JHADRO CCOc1cccc(N2CCN(C(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001312824260 1070143784 /nfs/dbraw/zinc/14/37/84/1070143784.db2.gz RXOITFICYWKLBW-QHCPKHFHSA-N 1 0 451.615 3.614 20 0 JHADRO C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001312827110 1070144789 /nfs/dbraw/zinc/14/47/89/1070144789.db2.gz WVDGQGAHLYRFOO-IRLDBZIGSA-N 1 0 457.640 3.795 20 0 JHADRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCC(=O)Nc2ccc(OCc3ccccc3)cc2)O1 ZINC001307719918 1070145223 /nfs/dbraw/zinc/14/52/23/1070145223.db2.gz QVBSFTDWGSBXOS-QODFHFCMSA-N 1 0 452.551 3.778 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)C(C)(C)C1 ZINC001307720207 1070145273 /nfs/dbraw/zinc/14/52/73/1070145273.db2.gz BTGZJJHRSZWZPN-UYAOXDASSA-N 1 0 458.628 3.974 20 0 JHADRO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCCN1C(=O)CS/C1=C\C(=O)OC ZINC001307724124 1070148630 /nfs/dbraw/zinc/14/86/30/1070148630.db2.gz FLHNRZZTCLPWST-VUQQOUJSSA-N 1 0 453.402 3.566 20 0 JHADRO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC001307725070 1070149408 /nfs/dbraw/zinc/14/94/08/1070149408.db2.gz LFGZKJAXOSWUJR-UHFFFAOYSA-N 1 0 451.430 3.786 20 0 JHADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)N1CC(=O)N(CCC(F)(F)F)C1 ZINC001312840473 1070149842 /nfs/dbraw/zinc/14/98/42/1070149842.db2.gz UNCRNOBCLNLJJK-LEWJYISDSA-N 1 0 478.490 3.557 20 0 JHADRO CC1(C)CCN(C(=O)NC2CCN(Cc3cccc(Br)c3)CC2)CC(C)(C)[NH2+]1 ZINC001312854226 1070156788 /nfs/dbraw/zinc/15/67/88/1070156788.db2.gz GCKOYBMBBCBZSA-UHFFFAOYSA-N 1 0 451.453 3.976 20 0 JHADRO OC[C@H]([NH2+]C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCOCC1 ZINC001307732862 1070155764 /nfs/dbraw/zinc/15/57/64/1070155764.db2.gz SDEUYPQYCOZULS-VXKWHMMOSA-N 1 0 454.394 3.837 20 0 JHADRO OC[C@H]([NH2+]C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCOCC1 ZINC001307732863 1070156054 /nfs/dbraw/zinc/15/60/54/1070156054.db2.gz SDEUYPQYCOZULS-YADHBBJMSA-N 1 0 454.394 3.837 20 0 JHADRO CCOCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314348343 1070157581 /nfs/dbraw/zinc/15/75/81/1070157581.db2.gz AICFOMRIGMXYAC-ZCNNSNEGSA-N 1 0 478.682 3.675 20 0 JHADRO CC(C)(C)OC(=O)NC1(CO)CC[NH+](CCCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001307737926 1070159520 /nfs/dbraw/zinc/15/95/20/1070159520.db2.gz TYABSNMPRIMOHS-UHFFFAOYSA-N 1 0 455.640 3.765 20 0 JHADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001307748282 1070163739 /nfs/dbraw/zinc/16/37/39/1070163739.db2.gz GAIUTKDQNNDZAA-HXUWFJFHSA-N 1 0 458.603 3.911 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC001312885137 1070167173 /nfs/dbraw/zinc/16/71/73/1070167173.db2.gz KMXLLYAFEWVBHJ-BAGYTPMASA-N 1 0 465.516 3.575 20 0 JHADRO C[C@H]([NH2+][C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]1C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001307750088 1070165825 /nfs/dbraw/zinc/16/58/25/1070165825.db2.gz WGXOWJBAFCSUIE-UYAYXHRUSA-N 1 0 455.502 3.959 20 0 JHADRO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC001307751423 1070166730 /nfs/dbraw/zinc/16/67/30/1070166730.db2.gz HLHPBEXIJMHWON-ROUUACIJSA-N 1 0 451.633 3.613 20 0 JHADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001307760650 1070171988 /nfs/dbraw/zinc/17/19/88/1070171988.db2.gz MKVMTWUCJACKRO-QFIPXVFZSA-N 1 0 450.410 3.957 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(OC)cc3C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314354611 1070175445 /nfs/dbraw/zinc/17/54/45/1070175445.db2.gz ITEHNUNRVJHMPN-QFIPXVFZSA-N 1 0 471.646 3.905 20 0 JHADRO CCOCc1nnc(N2CCc3cc(F)cc(C)c3C2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001314355084 1070176100 /nfs/dbraw/zinc/17/61/00/1070176100.db2.gz LMFXRBHHOAZISK-DEOSSOPVSA-N 1 0 473.637 3.962 20 0 JHADRO CCOC(=O)C1([S@](C)=O)CCN(C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001307776811 1070178710 /nfs/dbraw/zinc/17/87/10/1070178710.db2.gz SOIZQERYKFOUMJ-BNHRFMORSA-N 1 0 456.652 3.678 20 0 JHADRO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+]C(C)(C)c1ccccc1C ZINC001307791878 1070183726 /nfs/dbraw/zinc/18/37/26/1070183726.db2.gz ALXLSWUEOOJLOH-UHFFFAOYSA-N 1 0 459.612 3.642 20 0 JHADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)C1 ZINC001312927890 1070185700 /nfs/dbraw/zinc/18/57/00/1070185700.db2.gz ZMHCAEBHRKWMEX-MHDHIAOQSA-N 1 0 458.603 3.529 20 0 JHADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC001307797052 1070186185 /nfs/dbraw/zinc/18/61/85/1070186185.db2.gz UXHUDAFTVVVYFT-NIYFSFCBSA-N 1 0 450.583 3.692 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](C[C@@H](O)c3cc(Br)no3)C2)C1 ZINC001307796318 1070186290 /nfs/dbraw/zinc/18/62/90/1070186290.db2.gz GFSMFONEWKZBMZ-OWCLPIDISA-N 1 0 458.397 3.830 20 0 JHADRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001307800225 1070187964 /nfs/dbraw/zinc/18/79/64/1070187964.db2.gz TYDBZRGJMSKHSO-ROUUACIJSA-N 1 0 450.539 3.838 20 0 JHADRO C[C@H]([NH2+]C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)c1ccc(N2CCCNC2=O)cc1 ZINC001307802543 1070189562 /nfs/dbraw/zinc/18/95/62/1070189562.db2.gz FEXYIPKFLKRWJS-HMHJJOSWSA-N 1 0 458.603 3.673 20 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CC[N@H+](CCCNC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)C1CCCCC1 ZINC001312964785 1070202655 /nfs/dbraw/zinc/20/26/55/1070202655.db2.gz XJSMXRQKQSQUCF-JOCHJYFZSA-N 1 0 450.649 3.647 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001314368534 1070203179 /nfs/dbraw/zinc/20/31/79/1070203179.db2.gz WCRHJENEWMVLAN-GBXCKJPGSA-N 1 0 461.676 3.876 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001314369493 1070205581 /nfs/dbraw/zinc/20/55/81/1070205581.db2.gz RUVUOGURFNXGHU-LJQANCHMSA-N 1 0 478.037 3.988 20 0 JHADRO O=C(C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1)NCCc1cccc(Cl)c1Cl ZINC001307842679 1070208707 /nfs/dbraw/zinc/20/87/07/1070208707.db2.gz BNLRUOFREGFFOQ-QFIPXVFZSA-N 1 0 451.394 3.772 20 0 JHADRO COC(=O)c1nc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)ccc1Cl ZINC001312982857 1070206553 /nfs/dbraw/zinc/20/65/53/1070206553.db2.gz QSXGCGZTUZHWQE-JTHBVZDNSA-N 1 0 478.980 3.989 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001314370520 1070207446 /nfs/dbraw/zinc/20/74/46/1070207446.db2.gz XPBKUVJOPXGOFX-PMACEKPBSA-N 1 0 464.655 3.525 20 0 JHADRO C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC001307840911 1070207906 /nfs/dbraw/zinc/20/79/06/1070207906.db2.gz ZEGLVDCQYGUZTQ-XLIONFOSSA-N 1 0 454.596 3.804 20 0 JHADRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)C1 ZINC001312987995 1070209196 /nfs/dbraw/zinc/20/91/96/1070209196.db2.gz JLNLUJBFYKNSHH-VJBMBRPKSA-N 1 0 474.646 3.819 20 0 JHADRO CC[C@H]([NH2+]CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)[C@@H]1CC1(C)C ZINC001307853346 1070212034 /nfs/dbraw/zinc/21/20/34/1070212034.db2.gz QNMMKGOACBAJCS-KVEBRJTLSA-N 1 0 450.004 3.907 20 0 JHADRO CC[NH+]1CCC(N2CCCN(CC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)CC2)CC1 ZINC001307855205 1070212141 /nfs/dbraw/zinc/21/21/41/1070212141.db2.gz PBZGWZGQNWNLHU-UHFFFAOYSA-N 1 0 459.034 3.708 20 0 JHADRO C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307859013 1070212821 /nfs/dbraw/zinc/21/28/21/1070212821.db2.gz NOBZRKIDPQUJET-CEXWTWQISA-N 1 0 454.615 3.924 20 0 JHADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC001312991600 1070214425 /nfs/dbraw/zinc/21/44/25/1070214425.db2.gz MNVAPRJCJFLWEV-LJQANCHMSA-N 1 0 450.421 3.839 20 0 JHADRO CCOCc1nnc(N2CCCC[C@@H](SC)C2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001314376699 1070217021 /nfs/dbraw/zinc/21/70/21/1070217021.db2.gz PPHQWQLMWAPBSU-HXUWFJFHSA-N 1 0 451.681 3.572 20 0 JHADRO CCOCc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001314376729 1070217590 /nfs/dbraw/zinc/21/75/90/1070217590.db2.gz MQMZLLRCKBTDLO-XMMPIXPASA-N 1 0 488.721 3.802 20 0 JHADRO Brc1cncc(O[C@@H]2CC[N@H+](CCCCCn3nnc(-c4ccccc4)n3)C2)c1 ZINC001307882897 1070223126 /nfs/dbraw/zinc/22/31/26/1070223126.db2.gz SADGLYPRVGAVNU-LJQANCHMSA-N 1 0 457.376 3.821 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH+]2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)CC1 ZINC001307879346 1070221255 /nfs/dbraw/zinc/22/12/55/1070221255.db2.gz KNYULOLYLYEONA-VWLOTQADSA-N 1 0 455.603 3.803 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)C1(C)C ZINC001307888876 1070226523 /nfs/dbraw/zinc/22/65/23/1070226523.db2.gz YWVBKNADWSAGNZ-YESZJQIVSA-N 1 0 452.393 3.836 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001314381194 1070224604 /nfs/dbraw/zinc/22/46/04/1070224604.db2.gz HBEJHISSDUIYNK-FQEVSTJZSA-N 1 0 496.681 3.667 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCC(=O)NCC3CCCCC3)C2)C1 ZINC001307903843 1070232853 /nfs/dbraw/zinc/23/28/53/1070232853.db2.gz HQIZJTZLFNTRQM-BHDDXSALSA-N 1 0 451.652 3.857 20 0 JHADRO O=C1N[C@@H]2C[N@H+](C[C@H](O)COC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC[C@H]2CO1 ZINC001307904887 1070233711 /nfs/dbraw/zinc/23/37/11/1070233711.db2.gz JONZLNUTZMNKOL-DZFGPLHGSA-N 1 0 465.377 3.891 20 0 JHADRO COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC001313045470 1070234125 /nfs/dbraw/zinc/23/41/25/1070234125.db2.gz GECGOJUTCIRXGT-QHCPKHFHSA-N 1 0 453.583 3.669 20 0 JHADRO COc1ccc(NC(=O)c2nnc(CN3CC[C@H]([N@H+](C)CCc4ccccc4)C3)s2)cc1 ZINC001307908070 1070234351 /nfs/dbraw/zinc/23/43/51/1070234351.db2.gz AZCNHVFKDFDKNX-FQEVSTJZSA-N 1 0 451.596 3.548 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314387493 1070235844 /nfs/dbraw/zinc/23/58/44/1070235844.db2.gz SYKSUPIFJSINCB-SFTDATJTSA-N 1 0 470.662 3.603 20 0 JHADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001313050877 1070236049 /nfs/dbraw/zinc/23/60/49/1070236049.db2.gz RXGHLDACIGAMSG-YPAWHYETSA-N 1 0 474.527 3.507 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001314387861 1070237203 /nfs/dbraw/zinc/23/72/03/1070237203.db2.gz FJDFNSUFGHIDDJ-CTNGQTDRSA-N 1 0 480.579 3.725 20 0 JHADRO COc1ccc2nc(C[NH2+][C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccc(F)cc3)[nH]c2n1 ZINC001307919051 1070240883 /nfs/dbraw/zinc/24/08/83/1070240883.db2.gz NRBYPBMALNUKSV-IEBWSBKVSA-N 1 0 455.534 3.988 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001314391327 1070246040 /nfs/dbraw/zinc/24/60/40/1070246040.db2.gz QMFJYTWJJYYYDL-NFBKMPQASA-N 1 0 458.626 3.789 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001314390341 1070244056 /nfs/dbraw/zinc/24/40/56/1070244056.db2.gz KSTPQGJJHYIWQV-FDDCHVKYSA-N 1 0 481.563 3.575 20 0 JHADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001313082940 1070244916 /nfs/dbraw/zinc/24/49/16/1070244916.db2.gz XXSIPIXUIMMNSK-DHIUTWEWSA-N 1 0 456.631 3.987 20 0 JHADRO O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC001313085199 1070245010 /nfs/dbraw/zinc/24/50/10/1070245010.db2.gz NSEIUUOFBBTDFN-LJQANCHMSA-N 1 0 458.484 3.916 20 0 JHADRO CCOCc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314392920 1070250351 /nfs/dbraw/zinc/25/03/51/1070250351.db2.gz XGXMYUBINUQFHZ-QHCPKHFHSA-N 1 0 484.693 3.565 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC[C@@H](C)c1ccc(OC)cc1 ZINC001314393604 1070250954 /nfs/dbraw/zinc/25/09/54/1070250954.db2.gz BOVGPVRSRWBUTL-RTWAWAEBSA-N 1 0 471.646 3.707 20 0 JHADRO C[C@H](N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001307940102 1070250920 /nfs/dbraw/zinc/25/09/20/1070250920.db2.gz XCYJRGVUTHXRIV-AMHTUMDSSA-N 1 0 461.528 3.680 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC[C@H](C)c1ccc(OC)cc1 ZINC001314393606 1070251011 /nfs/dbraw/zinc/25/10/11/1070251011.db2.gz BOVGPVRSRWBUTL-SFTDATJTSA-N 1 0 471.646 3.707 20 0 JHADRO CN(C[C@](C)(O)C[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1)C(=O)OC(C)(C)C ZINC001307956499 1070258127 /nfs/dbraw/zinc/25/81/27/1070258127.db2.gz VPJOYXUOLPPXQL-DEOSSOPVSA-N 1 0 450.624 3.990 20 0 JHADRO CCOCc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CC[NH+]1CCCCCC1 ZINC001314397603 1070258221 /nfs/dbraw/zinc/25/82/21/1070258221.db2.gz VDXMEFIMSDZRNB-UHFFFAOYSA-N 1 0 489.734 3.767 20 0 JHADRO FC(F)(F)c1cccc(OCCC[NH+]2CCC(c3nccc(N4CCOCC4)n3)CC2)c1 ZINC001307969164 1070263258 /nfs/dbraw/zinc/26/32/58/1070263258.db2.gz OTRFBBJOMQQJNT-UHFFFAOYSA-N 1 0 450.505 3.981 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)N2CCC[C@H](OC(=O)N(C)C)C2)cc1 ZINC001313132129 1070262036 /nfs/dbraw/zinc/26/20/36/1070262036.db2.gz FDMMVMVSJYSONP-CCDWMCETSA-N 1 0 480.609 3.535 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@@H](CO)c2ccc(F)cc2)cc1 ZINC001313134176 1070263831 /nfs/dbraw/zinc/26/38/31/1070263831.db2.gz ZFSOXZKTYZSKBA-MSLLRLGPSA-N 1 0 477.580 3.878 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314403103 1070265231 /nfs/dbraw/zinc/26/52/31/1070265231.db2.gz IXIYSLWBPDCCFI-WOJBJXKFSA-N 1 0 474.606 3.599 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314402999 1070265328 /nfs/dbraw/zinc/26/53/28/1070265328.db2.gz IXIYSLWBPDCCFI-UXHICEINSA-N 1 0 474.606 3.599 20 0 JHADRO COc1ccc([C@H](O)C2CCN(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)cc1 ZINC001313137857 1070266379 /nfs/dbraw/zinc/26/63/79/1070266379.db2.gz MUSRXYNBSKZGRX-RJWMVNQGSA-N 1 0 451.611 3.918 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001313159329 1070272955 /nfs/dbraw/zinc/27/29/55/1070272955.db2.gz OKBOHUUWIFPHHP-VRUMLPLGSA-N 1 0 456.631 3.987 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CC1([NH+](C)C)CCC1 ZINC001314406739 1070270264 /nfs/dbraw/zinc/27/02/64/1070270264.db2.gz JDRKGOGUIIKKQH-LJQANCHMSA-N 1 0 451.974 3.669 20 0 JHADRO Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)C2)cc1 ZINC001313168034 1070277099 /nfs/dbraw/zinc/27/70/99/1070277099.db2.gz LWMXLFIEJTWGDF-BVAGGSTKSA-N 1 0 456.675 3.882 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314416736 1070282848 /nfs/dbraw/zinc/28/28/48/1070282848.db2.gz ADRBCGQNVCFUTB-URXFXBBRSA-N 1 0 471.646 3.563 20 0 JHADRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCN[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC001308013773 1070280071 /nfs/dbraw/zinc/28/00/71/1070280071.db2.gz PBNISZLUGNZGHL-ZJSXRUAMSA-N 1 0 455.599 3.959 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314416740 1070282746 /nfs/dbraw/zinc/28/27/46/1070282746.db2.gz ADRBCGQNVCFUTB-ZJSXRUAMSA-N 1 0 471.646 3.563 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314418795 1070287856 /nfs/dbraw/zinc/28/78/56/1070287856.db2.gz DMFHDORUWREPKH-PCCBWWKXSA-N 1 0 455.651 3.745 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314418796 1070288013 /nfs/dbraw/zinc/28/80/13/1070288013.db2.gz DMFHDORUWREPKH-QHAWAJNXSA-N 1 0 455.651 3.745 20 0 JHADRO COc1cccc([C@@H]2CC[N@H+](CC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)C2(C)C)c1 ZINC001308046869 1070291728 /nfs/dbraw/zinc/29/17/28/1070291728.db2.gz XNCMZJUPKHIXKR-DEOSSOPVSA-N 1 0 455.643 3.904 20 0 JHADRO COC(=O)C1CC2(C1)C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@@H]2C(=O)OC(C)(C)C ZINC001308064771 1070299023 /nfs/dbraw/zinc/29/90/23/1070299023.db2.gz IGAPULAVCCUNGL-ASNBIDDJSA-N 1 0 457.489 3.971 20 0 JHADRO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 ZINC001308067155 1070301245 /nfs/dbraw/zinc/30/12/45/1070301245.db2.gz YZQAEMQDMZIIRV-UGWRYHMVSA-N 1 0 458.599 3.579 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001314424581 1070301727 /nfs/dbraw/zinc/30/17/27/1070301727.db2.gz FTRPMYAXTJUCJL-OAQYLSRUSA-N 1 0 476.065 3.886 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(CC(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC001314426584 1070304839 /nfs/dbraw/zinc/30/48/39/1070304839.db2.gz ZSLAHJMWOBPVMG-DEOSSOPVSA-N 1 0 469.674 3.735 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001314426724 1070305504 /nfs/dbraw/zinc/30/55/04/1070305504.db2.gz NSXQVNUFGCUEMP-JOCHJYFZSA-N 1 0 457.667 3.515 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001314428648 1070310283 /nfs/dbraw/zinc/31/02/83/1070310283.db2.gz GFVNHNDJNYEELQ-GBXCKJPGSA-N 1 0 466.605 3.959 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001314435909 1070322779 /nfs/dbraw/zinc/32/27/79/1070322779.db2.gz IMPKNTWGYNUUQM-PKTZIBPZSA-N 1 0 455.647 3.541 20 0 JHADRO COC(=O)c1cc(NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3c(OC)c2)cc(C(=O)OC)c1 ZINC001308138140 1070324979 /nfs/dbraw/zinc/32/49/79/1070324979.db2.gz WHYLORHHJLEKMR-HNNXBMFYSA-N 1 0 450.491 3.711 20 0 JHADRO O[C@@]1(CN2CCOc3c(Cl)cc(Br)cc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001308140205 1070326076 /nfs/dbraw/zinc/32/60/76/1070326076.db2.gz HHIRMRFEPUIYCJ-NRFANRHFSA-N 1 0 451.792 3.934 20 0 JHADRO Cc1c(Cl)cccc1N1CC[NH+](C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001308141967 1070327210 /nfs/dbraw/zinc/32/72/10/1070327210.db2.gz MKZLEOFILWYOTE-RUZDIDTESA-N 1 0 458.002 3.934 20 0 JHADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC001308148450 1070329286 /nfs/dbraw/zinc/32/92/86/1070329286.db2.gz NAJKWMZDSXLFEE-SSEXGKCCSA-N 1 0 452.068 3.988 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]1CCCC12CC[NH+](C[C@H](O)c1cc(Br)no1)CC2 ZINC001308170065 1070334155 /nfs/dbraw/zinc/33/41/55/1070334155.db2.gz JEKLEILKSSHVKB-CABCVRRESA-N 1 0 458.397 3.878 20 0 JHADRO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001313367444 1070338785 /nfs/dbraw/zinc/33/87/85/1070338785.db2.gz YPVZGSWBZXJROU-OYUWMTPXSA-N 1 0 470.617 3.653 20 0 JHADRO COc1cc(C[NH2+]Cc2ccccc2OCC(=O)NC[C@H]2CCCO2)cc(C(F)(F)F)c1 ZINC001308210247 1070340939 /nfs/dbraw/zinc/34/09/39/1070340939.db2.gz FIMUZOGTRHAOFN-LJQANCHMSA-N 1 0 452.473 3.678 20 0 JHADRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2c(Oc3ccc(F)cc3)nc3ccccn32)cc1 ZINC001308218564 1070341617 /nfs/dbraw/zinc/34/16/17/1070341617.db2.gz FGGKVQVBWVXJLB-UHFFFAOYSA-N 1 0 454.527 3.605 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@H](NC(=O)NCC[NH+]1CCCCC1)c1ccccc1O2 ZINC001313385772 1070343685 /nfs/dbraw/zinc/34/36/85/1070343685.db2.gz WPLZAUQSMXOKFA-CPJSRVTESA-N 1 0 458.603 3.675 20 0 JHADRO CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CCOC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2)ncn1 ZINC001308250409 1070346307 /nfs/dbraw/zinc/34/63/07/1070346307.db2.gz RORRYRRQDMOCHM-RTWAWAEBSA-N 1 0 459.635 3.546 20 0 JHADRO CCOCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001314450968 1070347370 /nfs/dbraw/zinc/34/73/70/1070347370.db2.gz DYWPAHPYXUQAIN-QGZVFWFLSA-N 1 0 451.413 3.527 20 0 JHADRO CC(C)(C)OCCCN1CCN(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC001313395938 1070347866 /nfs/dbraw/zinc/34/78/66/1070347866.db2.gz BVEFCZKEAUBNBX-UHFFFAOYSA-N 1 0 452.643 3.898 20 0 JHADRO CCCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC001308276171 1070349769 /nfs/dbraw/zinc/34/97/69/1070349769.db2.gz NGWFMVXNMADWOO-MRXNPFEDSA-N 1 0 451.199 3.878 20 0 JHADRO COCO[C@@H](C)c1cc(F)c(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC001308278067 1070350428 /nfs/dbraw/zinc/35/04/28/1070350428.db2.gz XMVAZGXJTPEKPM-HOTGVXAUSA-N 1 0 459.400 3.860 20 0 JHADRO Cn1c(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nc2cc(C(F)(F)F)ccc21 ZINC001308282722 1070351347 /nfs/dbraw/zinc/35/13/47/1070351347.db2.gz VTPIHBAQYBRVSD-UHFFFAOYSA-N 1 0 459.516 3.708 20 0 JHADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001313414984 1070352154 /nfs/dbraw/zinc/35/21/54/1070352154.db2.gz LAENWMYUFZMCAO-DHIUTWEWSA-N 1 0 458.647 3.982 20 0 JHADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)no1 ZINC001313430216 1070357342 /nfs/dbraw/zinc/35/73/42/1070357342.db2.gz QDLUDEBAOWQSOS-LLVKDONJSA-N 1 0 453.387 3.942 20 0 JHADRO CN(C(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)C1CC[NH+](CCc2ccccn2)CC1 ZINC001313433548 1070359112 /nfs/dbraw/zinc/35/91/12/1070359112.db2.gz LQSTUPQMFGYSLP-GJZUVCINSA-N 1 0 471.646 3.662 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)CS(=O)(=O)CC ZINC001313446591 1070363770 /nfs/dbraw/zinc/36/37/70/1070363770.db2.gz CUNZYNIZHCJPBI-XLIONFOSSA-N 1 0 468.067 3.732 20 0 JHADRO CCCN1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCC[N@@H+]2CCC)CC1=O ZINC001313446095 1070361033 /nfs/dbraw/zinc/36/10/33/1070361033.db2.gz DLHRSEHTZAPFFA-QHCPKHFHSA-N 1 0 482.673 3.879 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001313446210 1070361855 /nfs/dbraw/zinc/36/18/55/1070361855.db2.gz AABYQTORXDSJCD-DYXWJJEUSA-N 1 0 459.660 3.848 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001313447624 1070367631 /nfs/dbraw/zinc/36/76/31/1070367631.db2.gz MJCSMGLOCAJVHZ-NRFANRHFSA-N 1 0 461.614 3.906 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001313448604 1070371572 /nfs/dbraw/zinc/37/15/72/1070371572.db2.gz RNPPVKMHIOLAEZ-MJGOQNOKSA-N 1 0 498.981 3.978 20 0 JHADRO COCCOC1(C[NH2+][C@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCOCC1 ZINC001308410692 1070371881 /nfs/dbraw/zinc/37/18/81/1070371881.db2.gz UJPZPUJPLPKBEI-CQSZACIVSA-N 1 0 452.901 3.878 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@H](C)C(=O)NC ZINC001313449055 1070372923 /nfs/dbraw/zinc/37/29/23/1070372923.db2.gz UVXJXKMKGWHQRW-RDJZCZTQSA-N 1 0 495.441 3.539 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[NH2+]CCc2cccc(C(F)(F)F)n2)C1 ZINC001308417100 1070373007 /nfs/dbraw/zinc/37/30/07/1070373007.db2.gz NVZJABGOXFUPDC-INIZCTEOSA-N 1 0 454.497 3.596 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(c2ccc(CNc3cccc(C[N@@H+]4CC[C@@H](O)C4)c3)o2)CC1 ZINC001308418419 1070373202 /nfs/dbraw/zinc/37/32/02/1070373202.db2.gz UQUQXVYVHRPGHP-OAQYLSRUSA-N 1 0 456.587 3.515 20 0 JHADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001308479065 1070380064 /nfs/dbraw/zinc/38/00/64/1070380064.db2.gz MLBVTEVGWXTXNL-IBGZPJMESA-N 1 0 456.458 3.916 20 0 JHADRO CCOCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314469663 1070380128 /nfs/dbraw/zinc/38/01/28/1070380128.db2.gz MVHPDPSURLMBRJ-BGYRXZFFSA-N 1 0 457.619 3.557 20 0 JHADRO COc1cc(C[NH2+]C[C@@H]2CSc3ccccc3O2)cc(I)c1OC ZINC001308446980 1070376753 /nfs/dbraw/zinc/37/67/53/1070376753.db2.gz GQWKRUVPULAOHH-CYBMUJFWSA-N 1 0 457.333 3.951 20 0 JHADRO COc1c(Br)cc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC001308450225 1070376906 /nfs/dbraw/zinc/37/69/06/1070376906.db2.gz LBAOJAVPYXEWDN-RWMBFGLXSA-N 1 0 450.215 3.808 20 0 JHADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC[C@@]2(O)CCCOC2)cc1OC ZINC001308454004 1070377392 /nfs/dbraw/zinc/37/73/92/1070377392.db2.gz UDGZZMGFWUSEAJ-SANMLTNESA-N 1 0 451.567 3.637 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001313450842 1070378766 /nfs/dbraw/zinc/37/87/66/1070378766.db2.gz NZTVTQUJMXZJTR-QFIPXVFZSA-N 1 0 458.695 3.970 20 0 JHADRO CN(CCOCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C(=O)OC(C)(C)C ZINC001308468653 1070379718 /nfs/dbraw/zinc/37/97/18/1070379718.db2.gz OGIWUNCNUNBZOJ-UHFFFAOYSA-N 1 0 453.381 3.812 20 0 JHADRO CCOCCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314469066 1070379732 /nfs/dbraw/zinc/37/97/32/1070379732.db2.gz SLYQBNBXHBUTAP-FQEVSTJZSA-N 1 0 495.672 3.658 20 0 JHADRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)CC1 ZINC001308522582 1070385227 /nfs/dbraw/zinc/38/52/27/1070385227.db2.gz AGYOJFFVOBXIEV-UHFFFAOYSA-N 1 0 453.402 3.542 20 0 JHADRO CCOCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314472953 1070383318 /nfs/dbraw/zinc/38/33/18/1070383318.db2.gz WXRXDLLGARPWPP-MZKRTTBSSA-N 1 0 457.619 3.631 20 0 JHADRO CCOCCN(CC)c1nnc([C@@H]2CCCCO2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001314475058 1070385787 /nfs/dbraw/zinc/38/57/87/1070385787.db2.gz MWTQLDHGSCNOOT-FQEVSTJZSA-N 1 0 451.681 3.744 20 0 JHADRO CCOCCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001314474655 1070386066 /nfs/dbraw/zinc/38/60/66/1070386066.db2.gz ISEARQZSZQLVQI-YADHBBJMSA-N 1 0 492.709 3.987 20 0 JHADRO COCCN(C)c1ccc(C[NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)cn1 ZINC001308531747 1070386308 /nfs/dbraw/zinc/38/63/08/1070386308.db2.gz CWSWOQJZGQZHDG-HNACLESGSA-N 1 0 454.615 3.879 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001313453904 1070387774 /nfs/dbraw/zinc/38/77/74/1070387774.db2.gz WYKJUCSBWIJSAG-MBSDFSHPSA-N 1 0 477.078 3.800 20 0 JHADRO COC(=O)COc1ccccc1C[NH2+]C[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001308557750 1070388698 /nfs/dbraw/zinc/38/86/98/1070388698.db2.gz AUIIUOMCMRHYHT-GOSISDBHSA-N 1 0 451.363 3.797 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[N@@H+]2CC[C@H](COCc3ccccc3)C2)C1 ZINC001308565809 1070390811 /nfs/dbraw/zinc/39/08/11/1070390811.db2.gz YMBJBXVNTUVSHZ-VXKWHMMOSA-N 1 0 455.603 3.889 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001313457907 1070400773 /nfs/dbraw/zinc/40/07/73/1070400773.db2.gz QCDJBSLAGKZZTE-HSZRJFAPSA-N 1 0 466.674 3.962 20 0 JHADRO CC(C)(C)OC(=O)NC1(CC[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CCOCC1 ZINC001308598338 1070398543 /nfs/dbraw/zinc/39/85/43/1070398543.db2.gz KNSCEZJULPSIJW-MOPGFXCFSA-N 1 0 453.624 3.924 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001313459247 1070405832 /nfs/dbraw/zinc/40/58/32/1070405832.db2.gz GNRUEOMRQLOCSJ-YADHBBJMSA-N 1 0 468.646 3.571 20 0 JHADRO CCOCCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CCCCC2)CC1 ZINC001314493363 1070407611 /nfs/dbraw/zinc/40/76/11/1070407611.db2.gz IEKTWJSFFOPBIT-QHCPKHFHSA-N 1 0 485.673 3.889 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C[C@H]21 ZINC001308638746 1070408322 /nfs/dbraw/zinc/40/83/22/1070408322.db2.gz ZZHAIFGXLFALID-NCXUSEDFSA-N 1 0 453.624 3.984 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H](C)CC)n2Cc2nnc(C(C)(C)C)s2)C[C@@H]1CC ZINC001314493796 1070408365 /nfs/dbraw/zinc/40/83/65/1070408365.db2.gz KVYUAPHPZXVGCU-ROUUACIJSA-N 1 0 463.696 3.926 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)CC)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001313461203 1070414994 /nfs/dbraw/zinc/41/49/94/1070414994.db2.gz VOSYTDFJESAIQA-UYAOXDASSA-N 1 0 458.676 3.654 20 0 JHADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc2cn(C)nc2-c2ccccc2)cnn1C ZINC001308682545 1070417645 /nfs/dbraw/zinc/41/76/45/1070417645.db2.gz XUXNMAMJRNBEPT-LJQANCHMSA-N 1 0 452.603 3.602 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)cc2)C[C@H]1CC ZINC001314497530 1070420396 /nfs/dbraw/zinc/42/03/96/1070420396.db2.gz AHMTXBPHOBHMRJ-HSZRJFAPSA-N 1 0 486.064 3.779 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCSC2(C)C)C[C@H]1CC ZINC001314497564 1070421435 /nfs/dbraw/zinc/42/14/35/1070421435.db2.gz BBQYVGBHDYIRDK-FGZHOGPDSA-N 1 0 489.734 3.609 20 0 JHADRO 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CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(OCCN3CCOCC3)cc1)C2 ZINC001308799519 1070439720 /nfs/dbraw/zinc/43/97/20/1070439720.db2.gz DAZNGQGATUGKRF-SANMLTNESA-N 1 0 459.631 3.621 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001313466752 1070439898 /nfs/dbraw/zinc/43/98/98/1070439898.db2.gz WICOBHJMQBVQSQ-LEWJYISDSA-N 1 0 460.667 3.527 20 0 JHADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[NH+]2CC(Cc3c(F)cccc3Cl)C2)C1 ZINC001308807349 1070441131 /nfs/dbraw/zinc/44/11/31/1070441131.db2.gz NJYTXVIWGYIUCS-MRXNPFEDSA-N 1 0 453.986 3.717 20 0 JHADRO CNC(=O)[C@H](C[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)Cc1ccc(OC)c(F)c1 ZINC001308835529 1070445160 /nfs/dbraw/zinc/44/51/60/1070445160.db2.gz HHXYJSLQXXBNCA-NZSAHSFTSA-N 1 0 451.583 3.507 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2([NH+](C)C)CCC2)C1 ZINC001314505233 1070447327 /nfs/dbraw/zinc/44/73/27/1070447327.db2.gz LAZQMRNDHVCVQL-INIZCTEOSA-N 1 0 498.491 3.885 20 0 JHADRO CNC(=O)[C@@H](C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001308848766 1070447512 /nfs/dbraw/zinc/44/75/12/1070447512.db2.gz RBEQCMHXXDCZPD-QZTJIDSGSA-N 1 0 459.553 3.997 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C12CCCC2 ZINC001314506173 1070450783 /nfs/dbraw/zinc/45/07/83/1070450783.db2.gz KECVZXHIWGWXEH-RJGXRXQPSA-N 1 0 488.721 3.958 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3cc(Br)cnc3F)C2)CC1 ZINC001308925308 1070460522 /nfs/dbraw/zinc/46/05/22/1070460522.db2.gz NTICUTWGRDRYFA-MRXNPFEDSA-N 1 0 458.372 3.879 20 0 JHADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001308927263 1070460571 /nfs/dbraw/zinc/46/05/71/1070460571.db2.gz YIDSKTWXYPOCEN-VFNWGFHPSA-N 1 0 454.958 3.801 20 0 JHADRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001308927257 1070460608 /nfs/dbraw/zinc/46/06/08/1070460608.db2.gz YIDSKTWXYPOCEN-BTYIYWSLSA-N 1 0 454.958 3.801 20 0 JHADRO CCOC(=O)c1sc([C@@H]2CC[N@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)nc1C ZINC001308920655 1070459863 /nfs/dbraw/zinc/45/98/63/1070459863.db2.gz YMFXLELHUBBXQT-HZPDHXFCSA-N 1 0 453.605 3.790 20 0 JHADRO COc1cccc2c1CCC[C@@H]([NH2+]C[C@@H]1CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O1)C2 ZINC001308946811 1070464727 /nfs/dbraw/zinc/46/47/27/1070464727.db2.gz XIAMNGOCZSXVBU-UXHICEINSA-N 1 0 458.599 3.865 20 0 JHADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001308955732 1070465305 /nfs/dbraw/zinc/46/53/05/1070465305.db2.gz ZDODWQYHWVONJV-IBGZPJMESA-N 1 0 455.640 3.885 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001314510391 1070466377 /nfs/dbraw/zinc/46/63/77/1070466377.db2.gz WMUUKDKHOMJKKI-FQEVSTJZSA-N 1 0 491.677 3.532 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCCCC2)CC1 ZINC001313471511 1070462738 /nfs/dbraw/zinc/46/27/38/1070462738.db2.gz OHEBNUAKYJPWIJ-UHFFFAOYSA-N 1 0 459.038 3.827 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1[NH2+]CCNc1ccc(C(F)(F)F)cn1 ZINC001308987194 1070470964 /nfs/dbraw/zinc/47/09/64/1070470964.db2.gz RIMMLYKNANDXEA-RCCFBDPRSA-N 1 0 458.525 3.907 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1[NH2+]CCNc1ccc(C(F)(F)F)cn1 ZINC001308987192 1070471096 /nfs/dbraw/zinc/47/10/96/1070471096.db2.gz RIMMLYKNANDXEA-OKZBNKHCSA-N 1 0 458.525 3.907 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313474875 1070473814 /nfs/dbraw/zinc/47/38/14/1070473814.db2.gz MHWLKKUWRGRBBW-SFTDATJTSA-N 1 0 484.664 3.871 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCC)CC2)CC1 ZINC001313474990 1070473823 /nfs/dbraw/zinc/47/38/23/1070473823.db2.gz QSVYOSVSNYIIHO-UHFFFAOYSA-N 1 0 484.664 3.873 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[NH+]1CCC(C)CC1 ZINC001314512846 1070476657 /nfs/dbraw/zinc/47/66/57/1070476657.db2.gz MCYFIYFCWGXOJL-SFHVURJKSA-N 1 0 498.093 3.598 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001314513600 1070479380 /nfs/dbraw/zinc/47/93/80/1070479380.db2.gz SXHTYIQHVJYZLK-QGZVFWFLSA-N 1 0 480.078 3.732 20 0 JHADRO CCOC(=O)c1ccc(CS(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC001309012726 1070484124 /nfs/dbraw/zinc/48/41/24/1070484124.db2.gz OVEFGWCUWKQTPK-FQEVSTJZSA-N 1 0 450.626 3.817 20 0 JHADRO COc1ccc(Br)c(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001309021052 1070488327 /nfs/dbraw/zinc/48/83/27/1070488327.db2.gz NRLVLZHPZXAULI-UHFFFAOYSA-N 1 0 453.402 3.922 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001314515980 1070488337 /nfs/dbraw/zinc/48/83/37/1070488337.db2.gz IBKNFHHIUUEQMW-MSOLQXFVSA-N 1 0 468.067 3.590 20 0 JHADRO CC(C)OC(=O)CCNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309022119 1070489174 /nfs/dbraw/zinc/48/91/74/1070489174.db2.gz CWWIUYZLGXVSSF-FCHUYYIVSA-N 1 0 465.015 3.569 20 0 JHADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1)Cc1ccccc1 ZINC001309030490 1070496053 /nfs/dbraw/zinc/49/60/53/1070496053.db2.gz CEOLBDRWDBIWIR-KRWDZBQOSA-N 1 0 453.992 3.750 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314517131 1070493983 /nfs/dbraw/zinc/49/39/83/1070493983.db2.gz LMIZSNWUBQFVAB-QMCAAQAGSA-N 1 0 497.750 3.577 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001314519710 1070502638 /nfs/dbraw/zinc/50/26/38/1070502638.db2.gz XWWYWXQSBSYLHL-LEWJYISDSA-N 1 0 461.676 3.633 20 0 JHADRO O=S(=O)(Cc1cc(F)ccc1Br)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001309047992 1070506186 /nfs/dbraw/zinc/50/61/86/1070506186.db2.gz QIVUTGVRSUZCEG-UHFFFAOYSA-N 1 0 455.393 3.715 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314522005 1070509441 /nfs/dbraw/zinc/50/94/41/1070509441.db2.gz BZODLCCSCBCGMA-NHCUHLMSSA-N 1 0 498.697 3.732 20 0 JHADRO CCCNC(=O)Cn1c(C2CCCC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313492192 1070512793 /nfs/dbraw/zinc/51/27/93/1070512793.db2.gz AKAGGBSEBQXHHS-NFBKMPQASA-N 1 0 452.647 3.951 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314523338 1070513765 /nfs/dbraw/zinc/51/37/65/1070513765.db2.gz VOGSWLSTZDTJHM-GOSISDBHSA-N 1 0 468.067 3.590 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314523339 1070513931 /nfs/dbraw/zinc/51/39/31/1070513931.db2.gz VOGSWLSTZDTJHM-SFHVURJKSA-N 1 0 468.067 3.590 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001314526719 1070517841 /nfs/dbraw/zinc/51/78/41/1070517841.db2.gz HRHICRWPPCGMMD-UHFFFAOYSA-N 1 0 481.732 3.711 20 0 JHADRO Cc1cc2cc(S(=O)(=O)NCc3ccc(C[NH+]4C[C@H](C)C[C@@H](C)C4)cc3)ccc2[nH]c1=O ZINC001309064153 1070517106 /nfs/dbraw/zinc/51/71/06/1070517106.db2.gz QHUDNFHLZBZXPS-QZTJIDSGSA-N 1 0 453.608 3.793 20 0 JHADRO CCCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001313498543 1070518947 /nfs/dbraw/zinc/51/89/47/1070518947.db2.gz QAAOXDVUIQAQIJ-QHCPKHFHSA-N 1 0 482.673 3.640 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314530376 1070523370 /nfs/dbraw/zinc/52/33/70/1070523370.db2.gz VALWPTQULDDHIM-PWRODBHTSA-N 1 0 497.750 3.578 20 0 JHADRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)c1 ZINC001309071203 1070522422 /nfs/dbraw/zinc/52/24/22/1070522422.db2.gz QBCOFVTWDKHHSE-UHFFFAOYSA-N 1 0 455.407 3.920 20 0 JHADRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C2(C(=O)OC)CC2)cc1 ZINC001309089012 1070532127 /nfs/dbraw/zinc/53/21/27/1070532127.db2.gz YVNRDSSFAJVTDB-KNQAVFIVSA-N 1 0 456.608 3.737 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001313503377 1070533138 /nfs/dbraw/zinc/53/31/38/1070533138.db2.gz PHWSLQKZAUUNOG-RXFWQSSRSA-N 1 0 471.646 3.682 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1cnc2ccsc2c1 ZINC001309091266 1070534170 /nfs/dbraw/zinc/53/41/70/1070534170.db2.gz LXXTZTNYBIGGKJ-UHFFFAOYSA-N 1 0 454.415 3.811 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC001309100986 1070540756 /nfs/dbraw/zinc/54/07/56/1070540756.db2.gz SRIIWYDDELXAQY-KSZLIROESA-N 1 0 459.052 3.790 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NS(=O)(=O)c2cc(C)cc3cccnc32)CC1 ZINC001309116106 1070548727 /nfs/dbraw/zinc/54/87/27/1070548727.db2.gz TXLRXSFEGOTQJP-GOSISDBHSA-N 1 0 456.587 3.864 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2CCC[NH+]2CCCC2)cc1OC ZINC001313506953 1070551004 /nfs/dbraw/zinc/55/10/04/1070551004.db2.gz VHIQASXDCPXYRE-FQEVSTJZSA-N 1 0 457.619 3.844 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCN(C(C)=O)C[C@@H]3C)n2CC2([NH+](C)C)CCCC2)cc1OC ZINC001313506961 1070551125 /nfs/dbraw/zinc/55/11/25/1070551125.db2.gz VQLAESDWGNTTOS-FQEVSTJZSA-N 1 0 498.672 3.674 20 0 JHADRO Cc1sc(Br)cc1S(=O)(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001309142168 1070564638 /nfs/dbraw/zinc/56/46/38/1070564638.db2.gz MFKYGWGPRHVDFJ-UHFFFAOYSA-N 1 0 458.447 3.542 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCOCC3)n2C[C@@H]2CCCC[N@@H+]2CCC)cc1OC ZINC001313513370 1070567688 /nfs/dbraw/zinc/56/76/88/1070567688.db2.gz KCZQHOBWUJSPAK-NRFANRHFSA-N 1 0 457.619 3.844 20 0 JHADRO CC[S@@](=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001314564840 1070568612 /nfs/dbraw/zinc/56/86/12/1070568612.db2.gz VCRBRPYISBTBNN-GDLZYMKVSA-N 1 0 458.459 3.799 20 0 JHADRO CC[S@](=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001314565165 1070569700 /nfs/dbraw/zinc/56/97/00/1070569700.db2.gz ZJECSOCQTOJTBL-INZIPBBXSA-N 1 0 463.717 3.867 20 0 JHADRO CC[S@](=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001314572929 1070579804 /nfs/dbraw/zinc/57/98/04/1070579804.db2.gz SAVHGXOPZGNXSZ-LJAQVGFWSA-N 1 0 486.455 3.582 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313522226 1070591274 /nfs/dbraw/zinc/59/12/74/1070591274.db2.gz GKAJGERCCPYSIH-AOHZBQACSA-N 1 0 470.662 3.549 20 0 JHADRO CC[S@](=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001314580100 1070591419 /nfs/dbraw/zinc/59/14/19/1070591419.db2.gz QZIBKRRPLIIBHU-RIPCNWKXSA-N 1 0 487.714 3.988 20 0 JHADRO COC1CC[NH+](C2(CNS(=O)(=O)Cc3ccc(Br)cc3C)CCCC2)CC1 ZINC001309197801 1070598764 /nfs/dbraw/zinc/59/87/64/1070598764.db2.gz SFWLZMOOHZERAM-UHFFFAOYSA-N 1 0 459.450 3.601 20 0 JHADRO CC(C)n1ccc(CNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)n1 ZINC001309199543 1070600513 /nfs/dbraw/zinc/60/05/13/1070600513.db2.gz BASUXMDRJNDELI-BJKOFHAPSA-N 1 0 456.587 3.691 20 0 JHADRO CCc1ccc(CS(=O)(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC001309200493 1070601163 /nfs/dbraw/zinc/60/11/63/1070601163.db2.gz WBVKOXMXQDFPCV-UHFFFAOYSA-N 1 0 455.546 3.639 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[NH+](C)C)n1 ZINC001314585668 1070606130 /nfs/dbraw/zinc/60/61/30/1070606130.db2.gz ZTTPUAFNAXEKPY-IMBTUZDBSA-N 1 0 479.695 3.980 20 0 JHADRO CCSc1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001314587140 1070610822 /nfs/dbraw/zinc/61/08/22/1070610822.db2.gz SMRSEWLXFLBIFA-GMAHTHKFSA-N 1 0 473.687 3.940 20 0 JHADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001309214554 1070613740 /nfs/dbraw/zinc/61/37/40/1070613740.db2.gz UWCNXDQVNSVNEG-CQSZACIVSA-N 1 0 455.835 3.687 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314590117 1070617797 /nfs/dbraw/zinc/61/77/97/1070617797.db2.gz WOAHCIIXUNCTSU-VQTJNVASSA-N 1 0 462.708 3.747 20 0 JHADRO O=S(=O)(NC[C@@H](O)C1CCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309222275 1070622523 /nfs/dbraw/zinc/62/25/23/1070622523.db2.gz FNTYTPJAEFHCSV-ISJGIBHGSA-N 1 0 460.615 3.654 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001314593763 1070629538 /nfs/dbraw/zinc/62/95/38/1070629538.db2.gz ZOZRLZBULLUXIN-OALUTQOASA-N 1 0 457.648 3.522 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001314594747 1070632532 /nfs/dbraw/zinc/63/25/32/1070632532.db2.gz CGONCXONBJMYAC-QFIPXVFZSA-N 1 0 470.687 3.758 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001314594635 1070631746 /nfs/dbraw/zinc/63/17/46/1070631746.db2.gz APWVXSPHVMMYDH-QHCPKHFHSA-N 1 0 483.686 3.779 20 0 JHADRO COC(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001309235921 1070633741 /nfs/dbraw/zinc/63/37/41/1070633741.db2.gz MVLQSUIERUPDDX-HXUWFJFHSA-N 1 0 452.576 3.769 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314595538 1070635770 /nfs/dbraw/zinc/63/57/70/1070635770.db2.gz NLGKVZCTNHJWBM-MYGLTJDJSA-N 1 0 497.775 3.803 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001313544986 1070647232 /nfs/dbraw/zinc/64/72/32/1070647232.db2.gz RPIKREKWMVIIGA-HXUWFJFHSA-N 1 0 490.693 3.882 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001313545463 1070650841 /nfs/dbraw/zinc/65/08/41/1070650841.db2.gz KJQLTURWEVWUOH-NJDAHSKKSA-N 1 0 490.693 3.738 20 0 JHADRO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001309261847 1070653209 /nfs/dbraw/zinc/65/32/09/1070653209.db2.gz NXNDRSFSFSHFAP-IFMALSPDSA-N 1 0 457.640 3.890 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001314602954 1070657118 /nfs/dbraw/zinc/65/71/18/1070657118.db2.gz HVHONCFFBAPPOE-NJDAHSKKSA-N 1 0 474.650 3.783 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001314603424 1070657875 /nfs/dbraw/zinc/65/78/75/1070657875.db2.gz CSXWULGUQNNKNW-GMAHTHKFSA-N 1 0 472.703 3.877 20 0 JHADRO C[C@H](CCNS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O)[N@H+](C)Cc1ccccc1 ZINC001309269175 1070658995 /nfs/dbraw/zinc/65/89/95/1070658995.db2.gz GSMTVNQQGFTKKM-OAHLLOKOSA-N 1 0 455.407 3.788 20 0 JHADRO CCN(C)C(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001313548177 1070661757 /nfs/dbraw/zinc/66/17/57/1070661757.db2.gz ZJEPMONMHMHEPU-FQEVSTJZSA-N 1 0 491.080 3.945 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2CC2([NH+](C)C)CCC2)C1 ZINC001314608489 1070668937 /nfs/dbraw/zinc/66/89/37/1070668937.db2.gz SKGQPRGLPFOBPF-SFHVURJKSA-N 1 0 476.716 3.866 20 0 JHADRO CCSCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001314608688 1070669648 /nfs/dbraw/zinc/66/96/48/1070669648.db2.gz BVCYLEPXGHWSGL-UHFFFAOYSA-N 1 0 469.497 3.967 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001313549655 1070665565 /nfs/dbraw/zinc/66/55/65/1070665565.db2.gz DDMRGRLOJLNAQY-UHFFFAOYSA-N 1 0 495.441 3.636 20 0 JHADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)C1 ZINC001309297083 1070678771 /nfs/dbraw/zinc/67/87/71/1070678771.db2.gz NRPPWHQVHKSFIA-HOCLYGCPSA-N 1 0 456.431 3.677 20 0 JHADRO CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001313562238 1070679846 /nfs/dbraw/zinc/67/98/46/1070679846.db2.gz WPGYYFUXHQLEOH-NQIIRXRSSA-N 1 0 473.668 3.949 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cccn3C)nnc2N2CCC(CCCO)CC2)c1 ZINC001313572648 1070686780 /nfs/dbraw/zinc/68/67/80/1070686780.db2.gz OFSXBQDHLAWRKQ-UHFFFAOYSA-N 1 0 450.631 3.773 20 0 JHADRO CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001313568817 1070682590 /nfs/dbraw/zinc/68/25/90/1070682590.db2.gz MYHUTJOZTCYVHQ-HSZRJFAPSA-N 1 0 498.672 3.955 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(OC(C)(C)C)CC2)c1 ZINC001313569809 1070683846 /nfs/dbraw/zinc/68/38/46/1070683846.db2.gz UYCHJTRFTIFGBP-UHFFFAOYSA-N 1 0 482.673 3.798 20 0 JHADRO CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313570353 1070684451 /nfs/dbraw/zinc/68/44/51/1070684451.db2.gz XVFGVUGTOQFDQQ-CALCHBBNSA-N 1 0 480.451 3.964 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC3CCCC3)nnc2N2CCN(CC(C)C)C(=O)C2)c1 ZINC001313575872 1070691871 /nfs/dbraw/zinc/69/18/71/1070691871.db2.gz VDISXARVYVQJPZ-UHFFFAOYSA-N 1 0 466.674 3.815 20 0 JHADRO C[C@H]1C[C@H](CCNS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)C[N@@H+]1Cc1ccccc1 ZINC001309320789 1070696693 /nfs/dbraw/zinc/69/66/93/1070696693.db2.gz CMVMRSZLQFNLJA-ICSRJNTNSA-N 1 0 455.624 3.885 20 0 JHADRO CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1([NH+](C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313579551 1070699197 /nfs/dbraw/zinc/69/91/97/1070699197.db2.gz MBVRAUNMHONJQU-PKOBYXMFSA-N 1 0 496.077 3.569 20 0 JHADRO Cc1nc(S(=O)(=O)N[C@@H](Cn2ccnc2)c2ccc(C)cc2C)sc1Br ZINC001309333666 1070705481 /nfs/dbraw/zinc/70/54/81/1070705481.db2.gz BZTSACUAMKLILL-HNNXBMFYSA-N 1 0 455.403 3.747 20 0 JHADRO CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313583581 1070706814 /nfs/dbraw/zinc/70/68/14/1070706814.db2.gz UIRKTORVJRMYRU-GHTZIAJQSA-N 1 0 480.078 3.732 20 0 JHADRO CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313586856 1070712076 /nfs/dbraw/zinc/71/20/76/1070712076.db2.gz VXDJBLDMNLIFJG-OAQYLSRUSA-N 1 0 475.703 3.844 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(F)(F)C1 ZINC001314627598 1070721124 /nfs/dbraw/zinc/72/11/24/1070721124.db2.gz AZCPTLYBXHAQJK-GOSISDBHSA-N 1 0 484.954 3.526 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001313587679 1070714028 /nfs/dbraw/zinc/71/40/28/1070714028.db2.gz LJGOUUFEPIKIII-WIYYLYMNSA-N 1 0 480.078 3.732 20 0 JHADRO CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C[NH+](C)C)c1)C(C)C ZINC001313596264 1070721410 /nfs/dbraw/zinc/72/14/10/1070721410.db2.gz LSZXFCPFTCWROK-UHFFFAOYSA-N 1 0 469.659 3.583 20 0 JHADRO C[C@H]1C[N@H+](CCOc2ccc(CCNS(=O)(=O)c3cc(Cl)ccc3F)cc2)C[C@H]1C ZINC001309355993 1070718286 /nfs/dbraw/zinc/71/82/86/1070718286.db2.gz LHJXQBHZJIHUNZ-CALCHBBNSA-N 1 0 454.995 3.967 20 0 JHADRO CCN(c1nnc(-c2ccccc2Cl)n1C[C@H](CC(C)C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313592296 1070719261 /nfs/dbraw/zinc/71/92/61/1070719261.db2.gz PYVGJOZWMYHBJI-MSOLQXFVSA-N 1 0 468.067 3.588 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001314627928 1070722116 /nfs/dbraw/zinc/72/21/16/1070722116.db2.gz FFKAFCVYIWKOPP-JOCHJYFZSA-N 1 0 488.627 3.650 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)nnc1C(C)(C)C ZINC001314628180 1070722756 /nfs/dbraw/zinc/72/27/56/1070722756.db2.gz GUMLGRQJVYAWJU-JKSBSHDWSA-N 1 0 485.504 3.538 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N2CC[C@H](COCc3ccccc3)C2)nnc1C(C)(C)C ZINC001314628192 1070723521 /nfs/dbraw/zinc/72/35/21/1070723521.db2.gz GVJRJNNAZHBWKB-ZEQRLZLVSA-N 1 0 496.700 3.561 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001314630379 1070730455 /nfs/dbraw/zinc/73/04/55/1070730455.db2.gz YDAPHQGCYNDZSZ-OAQYLSRUSA-N 1 0 470.021 3.506 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2ccccc2Cl)nnc1N(C)CCC1CC1 ZINC001314629665 1070727955 /nfs/dbraw/zinc/72/79/55/1070727955.db2.gz REANYTCJGBYJMQ-OAQYLSRUSA-N 1 0 459.038 3.778 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(C2CCCC2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001314630340 1070730811 /nfs/dbraw/zinc/73/08/11/1070730811.db2.gz XQWWSYHSQIKDGZ-VXKWHMMOSA-N 1 0 474.694 3.662 20 0 JHADRO CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001313604696 1070728182 /nfs/dbraw/zinc/72/81/82/1070728182.db2.gz MINMIYJQZRTLND-QHCPKHFHSA-N 1 0 462.646 3.990 20 0 JHADRO CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(Br)cc(OC)c1 ZINC001309377717 1070733616 /nfs/dbraw/zinc/73/36/16/1070733616.db2.gz QISLAMXWQXLEGU-GOSISDBHSA-N 1 0 453.402 3.743 20 0 JHADRO O=C(Nc1ccccc1S(=O)(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)C(F)(F)F ZINC001309402839 1070748829 /nfs/dbraw/zinc/74/88/29/1070748829.db2.gz LYZOLCOULJGHBC-GOSISDBHSA-N 1 0 455.502 3.693 20 0 JHADRO C[C@H]1C[C@@H](CCNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CCO1 ZINC001309395464 1070744524 /nfs/dbraw/zinc/74/45/24/1070744524.db2.gz TXRKHQARAKFQLD-OTLGMJNYSA-N 1 0 460.615 3.918 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccccc1 ZINC001314646317 1070746534 /nfs/dbraw/zinc/74/65/34/1070746534.db2.gz ACNYKRMPOZWUGX-FQEVSTJZSA-N 1 0 478.563 3.986 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccsc1 ZINC001314646477 1070747007 /nfs/dbraw/zinc/74/70/07/1070747007.db2.gz CJYNUHSTPMVCKI-WZONZLPQSA-N 1 0 490.580 3.613 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(F)(F)F)CC1)c1ccc(F)cc1 ZINC001314647021 1070748224 /nfs/dbraw/zinc/74/82/24/1070748224.db2.gz JLVZHSRWZCHKHB-IBGZPJMESA-N 1 0 482.526 3.735 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCOCC1)c1ccco1 ZINC001314647879 1070751145 /nfs/dbraw/zinc/75/11/45/1070751145.db2.gz VLLMFHDUGSRICV-GOSISDBHSA-N 1 0 478.366 3.969 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1cccc(F)c1 ZINC001314648479 1070752595 /nfs/dbraw/zinc/75/25/95/1070752595.db2.gz GCOORLSKQCBLQB-UNMCSNQZSA-N 1 0 481.620 3.846 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC001314648881 1070753728 /nfs/dbraw/zinc/75/37/28/1070753728.db2.gz PJQZPKASYLQMRV-QFBILLFUSA-N 1 0 459.019 3.665 20 0 JHADRO CN(c1nnc([C@H]2CCCCO2)n1C[C@@H](C1CC1)[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314650271 1070758193 /nfs/dbraw/zinc/75/81/93/1070758193.db2.gz HINXJXSDGIVUID-LEWJYISDSA-N 1 0 476.666 3.696 20 0 JHADRO COc1cc(Br)c(F)cc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC001309420334 1070759256 /nfs/dbraw/zinc/75/92/56/1070759256.db2.gz OHBUZSKRCISZQR-UHFFFAOYSA-N 1 0 451.402 3.872 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(F)(F)CC1)c1ccccc1 ZINC001314653695 1070766501 /nfs/dbraw/zinc/76/65/01/1070766501.db2.gz GUBYOOLEXBEEAA-GOSISDBHSA-N 1 0 474.581 3.808 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1)C1CC1 ZINC001314651008 1070759969 /nfs/dbraw/zinc/75/99/69/1070759969.db2.gz VNNORYKUEJGNCE-OALUTQOASA-N 1 0 482.620 3.967 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314650935 1070760015 /nfs/dbraw/zinc/76/00/15/1070760015.db2.gz NISNXRDJQHKACX-GBESFXJTSA-N 1 0 490.674 3.988 20 0 JHADRO Cn1cc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H](c2ccsc2)[NH+](C)C)cn1 ZINC001314651709 1070761775 /nfs/dbraw/zinc/76/17/75/1070761775.db2.gz XLDXRADSPMFUPR-QGZVFWFLSA-N 1 0 452.415 3.942 20 0 JHADRO C[NH+](C)[C@H](Cn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314653720 1070766686 /nfs/dbraw/zinc/76/66/86/1070766686.db2.gz OHFXWDDPNPGGOX-FCHUYYIVSA-N 1 0 458.695 3.829 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3Cl)nnc2N2CCC(CCC(N)=O)CC2)CCCC1 ZINC001314651981 1070762601 /nfs/dbraw/zinc/76/26/01/1070762601.db2.gz CZJFWXCEQXFKFS-UHFFFAOYSA-N 1 0 459.038 3.955 20 0 JHADRO CCN(CC(C)C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001313631860 1070762655 /nfs/dbraw/zinc/76/26/55/1070762655.db2.gz VCQVVAHWFJJXJT-HXUWFJFHSA-N 1 0 480.723 3.924 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CCCC1 ZINC001314652799 1070764058 /nfs/dbraw/zinc/76/40/58/1070764058.db2.gz JKRINKZXTNIIRZ-KRWDZBQOSA-N 1 0 498.981 3.978 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001313634727 1070767786 /nfs/dbraw/zinc/76/77/86/1070767786.db2.gz ASIGWYTXPFFHFO-VWNXMTODSA-N 1 0 482.673 3.504 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001313634811 1070768157 /nfs/dbraw/zinc/76/81/57/1070768157.db2.gz BKNQNZBFAZGUHV-YADHBBJMSA-N 1 0 496.681 3.747 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@H](CCO)Cc2ccccc2)cc1 ZINC001309435815 1070768233 /nfs/dbraw/zinc/76/82/33/1070768233.db2.gz XCPKSECEDZTTKM-OZNIXHKMSA-N 1 0 478.658 3.876 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CCCCC1 ZINC001314656680 1070775753 /nfs/dbraw/zinc/77/57/53/1070775753.db2.gz NCMILMBVHALNJE-KRWDZBQOSA-N 1 0 467.540 3.547 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001313635350 1070769754 /nfs/dbraw/zinc/76/97/54/1070769754.db2.gz MRWJMDKGGNCVDN-SNUWEPMUSA-N 1 0 496.700 3.779 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1)c1cccs1 ZINC001314656562 1070775804 /nfs/dbraw/zinc/77/58/04/1070775804.db2.gz PXLGJMJMQMWMJX-UXHICEINSA-N 1 0 472.703 3.974 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCN(CC(F)F)CC1)c1ccsc1 ZINC001314655305 1070772238 /nfs/dbraw/zinc/77/22/38/1070772238.db2.gz OPPPXXQTPHGVNR-NRFANRHFSA-N 1 0 474.625 3.815 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001314655891 1070773877 /nfs/dbraw/zinc/77/38/77/1070773877.db2.gz UTMOTRYJUZBJIB-FCHUYYIVSA-N 1 0 452.647 3.665 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1cccs1 ZINC001314656079 1070773982 /nfs/dbraw/zinc/77/39/82/1070773982.db2.gz OTZIAFADXHCOAH-HKUYNNGSSA-N 1 0 473.046 3.588 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccsc1 ZINC001314656089 1070774548 /nfs/dbraw/zinc/77/45/48/1070774548.db2.gz PACXRYCXGOXZMA-WMZHIEFXSA-N 1 0 473.046 3.588 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)c1ccco1 ZINC001314656392 1070774998 /nfs/dbraw/zinc/77/49/98/1070774998.db2.gz YCRLPYMHSAQFHI-FQEVSTJZSA-N 1 0 471.650 3.537 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)F)CC1)C1CCCCC1 ZINC001314657575 1070776756 /nfs/dbraw/zinc/77/67/56/1070776756.db2.gz YGECOLMDBQGSHZ-JOCHJYFZSA-N 1 0 478.607 3.906 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313637933 1070777575 /nfs/dbraw/zinc/77/75/75/1070777575.db2.gz PGKLWMPNDKCXSI-UHFFFAOYSA-N 1 0 491.478 3.887 20 0 JHADRO CN(C)c1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001314658684 1070780109 /nfs/dbraw/zinc/78/01/09/1070780109.db2.gz FPIMKRZQTZRWJC-UHFFFAOYSA-N 1 0 484.048 3.940 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3cccs3)CC2)CCSC1 ZINC001314659135 1070780646 /nfs/dbraw/zinc/78/06/46/1070780646.db2.gz MEIGUDFGJVLDDT-QHCPKHFHSA-N 1 0 462.733 3.688 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccccc3F)nnc2N2CCN(CC(F)(F)F)CC2)CCCC1 ZINC001314659165 1070781283 /nfs/dbraw/zinc/78/12/83/1070781283.db2.gz MWAYLOVSXSBGFO-UHFFFAOYSA-N 1 0 468.543 3.567 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001314659377 1070781682 /nfs/dbraw/zinc/78/16/82/1070781682.db2.gz NBRSREBMVFHIHT-OAQYLSRUSA-N 1 0 483.661 3.632 20 0 JHADRO Cn1cc(Br)cc1-c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001314662385 1070789431 /nfs/dbraw/zinc/78/94/31/1070789431.db2.gz BBGCXYXLBPZTHV-GOSISDBHSA-N 1 0 493.494 3.887 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)C[NH+](C)C ZINC001314662409 1070789487 /nfs/dbraw/zinc/78/94/87/1070789487.db2.gz BQIBZJJXJVBXCB-UHFFFAOYSA-N 1 0 479.467 3.646 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001314663459 1070791637 /nfs/dbraw/zinc/79/16/37/1070791637.db2.gz WPPTUULZPQJARV-FPOVZHCZSA-N 1 0 452.647 3.545 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C(N)=O)CC1 ZINC001314663422 1070791795 /nfs/dbraw/zinc/79/17/95/1070791795.db2.gz VNJAHLBSGNOLGE-UHFFFAOYSA-N 1 0 458.676 3.565 20 0 JHADRO CN(CCN1CCOCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)C[NH+](C)C ZINC001314663359 1070791892 /nfs/dbraw/zinc/79/18/92/1070791892.db2.gz SEUWRVLURJQQBR-UHFFFAOYSA-N 1 0 456.679 3.599 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(C3CCCC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001314667115 1070800867 /nfs/dbraw/zinc/80/08/67/1070800867.db2.gz FKWJJHNYQQJRQA-QHCPKHFHSA-N 1 0 498.672 3.776 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001314664937 1070796168 /nfs/dbraw/zinc/79/61/68/1070796168.db2.gz HDZGWISNQZGBDE-UHFFFAOYSA-N 1 0 450.587 3.666 20 0 JHADRO Cn1nccc1C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001314665185 1070796699 /nfs/dbraw/zinc/79/66/99/1070796699.db2.gz DIGBZEUYGXXLMK-UHFFFAOYSA-N 1 0 471.600 3.852 20 0 JHADRO CN1C(=O)C[C@H]2CN(c3nnc(COc4ccc(C(C)(C)C)cc4)n3CC(C)(C)C[NH+](C)C)CC[C@H]21 ZINC001314666403 1070798918 /nfs/dbraw/zinc/79/89/18/1070798918.db2.gz QQPPQSOEQWJDPP-NZQKXSOJSA-N 1 0 496.700 3.799 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CC2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001314666420 1070798994 /nfs/dbraw/zinc/79/89/94/1070798994.db2.gz QZGLDOGNYNCKLA-DFBJGRDBSA-N 1 0 460.667 3.702 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1 ZINC001314666133 1070799108 /nfs/dbraw/zinc/79/91/08/1070799108.db2.gz NUGOCDKFNCFZDA-DFBJGRDBSA-N 1 0 476.666 3.555 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001314666630 1070799454 /nfs/dbraw/zinc/79/94/54/1070799454.db2.gz SZHXDYYDLRMLCN-JOCHJYFZSA-N 1 0 487.714 3.739 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001314666601 1070799678 /nfs/dbraw/zinc/79/96/78/1070799678.db2.gz XOBLYXJOENMUIF-LJQANCHMSA-N 1 0 474.625 3.699 20 0 JHADRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)c3ccc4nc(Cl)sc4c3)cc2)CC1 ZINC001309484603 1070799825 /nfs/dbraw/zinc/79/98/25/1070799825.db2.gz UZBWHTONEMEZKK-UHFFFAOYSA-N 1 0 452.001 3.901 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C(C)(C)C)C2)c1 ZINC001314666978 1070800348 /nfs/dbraw/zinc/80/03/48/1070800348.db2.gz DEUPPIYRHZOYBM-JOCHJYFZSA-N 1 0 496.681 3.631 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC=C(Br)C2)c1 ZINC001314668212 1070804212 /nfs/dbraw/zinc/80/42/12/1070804212.db2.gz ARBKNWXJJYRMSD-HXUWFJFHSA-N 1 0 476.419 3.607 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001314668427 1070804485 /nfs/dbraw/zinc/80/44/85/1070804485.db2.gz QSVCHDJNARNBLI-OAQYLSRUSA-N 1 0 462.589 3.712 20 0 JHADRO Cn1cc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2Cc2ccccc2OCC[NH+](C)C)cn1 ZINC001314668716 1070805612 /nfs/dbraw/zinc/80/56/12/1070805612.db2.gz MIUXLZAVPYRGHA-UHFFFAOYSA-N 1 0 463.630 3.850 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cscn2)CC1 ZINC001314669278 1070807462 /nfs/dbraw/zinc/80/74/62/1070807462.db2.gz ZNVLYPIFFJMAOR-UHFFFAOYSA-N 1 0 497.713 3.634 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001314669507 1070808761 /nfs/dbraw/zinc/80/87/61/1070808761.db2.gz ANLLGOPNSQHZNX-DNVCBOLYSA-N 1 0 466.399 3.804 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001314670330 1070810794 /nfs/dbraw/zinc/81/07/94/1070810794.db2.gz KCBGDRCSFPBYHY-IBGZPJMESA-N 1 0 491.080 3.555 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCCC(C)(C)C2)cc1 ZINC001314670998 1070813495 /nfs/dbraw/zinc/81/34/95/1070813495.db2.gz IRGXUEOMSYGSFS-UHFFFAOYSA-N 1 0 496.681 3.885 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N(C)C2Cc3ccccc3C2)CC1 ZINC001314671293 1070814672 /nfs/dbraw/zinc/81/46/72/1070814672.db2.gz STLJAVMIIUKEMA-UHFFFAOYSA-N 1 0 452.691 3.744 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1CCOCC[NH+](C)C ZINC001314671604 1070815079 /nfs/dbraw/zinc/81/50/79/1070815079.db2.gz UFWFDYYBGKUQKY-MRXNPFEDSA-N 1 0 497.591 3.721 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(F)(F)F)C2)cc1 ZINC001314672874 1070818156 /nfs/dbraw/zinc/81/81/56/1070818156.db2.gz XEDPUSUXSFEVMR-NRFANRHFSA-N 1 0 481.563 3.767 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC001314672028 1070816754 /nfs/dbraw/zinc/81/67/54/1070816754.db2.gz OVAYUOYCUHTZSU-XZOQPEGZSA-N 1 0 469.674 3.913 20 0 JHADRO CN(CC1CCCCC1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCC[NH+](C)C ZINC001314673510 1070819590 /nfs/dbraw/zinc/81/95/90/1070819590.db2.gz QOKNNBGJHFBCAM-QFIPXVFZSA-N 1 0 492.709 3.987 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(c2cccc(OC)c2)CC1 ZINC001313651511 1070826868 /nfs/dbraw/zinc/82/68/68/1070826868.db2.gz FSRFYYDQIYBJPR-HXUWFJFHSA-N 1 0 468.646 3.637 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)C)n2C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC001313654572 1070839170 /nfs/dbraw/zinc/83/91/70/1070839170.db2.gz QUGOYBAWHGCMSL-DEOSSOPVSA-N 1 0 481.689 3.550 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001313652686 1070831089 /nfs/dbraw/zinc/83/10/89/1070831089.db2.gz XMKIJBFHUUEINB-UHFFFAOYSA-N 1 0 497.713 3.725 20 0 JHADRO CN(c1nnc(-c2ccccn2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314684163 1070840924 /nfs/dbraw/zinc/84/09/24/1070840924.db2.gz DNHLLXIEMKQCTH-GMWXTNTRSA-N 1 0 480.682 3.988 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313655504 1070844211 /nfs/dbraw/zinc/84/42/11/1070844211.db2.gz XOGIGMKNCQZTLR-QFIPXVFZSA-N 1 0 497.688 3.802 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CC3CCCC3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313655432 1070844745 /nfs/dbraw/zinc/84/47/45/1070844745.db2.gz NANPHRCSPHMPGL-QFIPXVFZSA-N 1 0 473.710 3.859 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001313655744 1070846493 /nfs/dbraw/zinc/84/64/93/1070846493.db2.gz WWPOQSKIUIRSRJ-XMMPIXPASA-N 1 0 495.716 3.769 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccnn1C)C1CC1 ZINC001313655970 1070848015 /nfs/dbraw/zinc/84/80/15/1070848015.db2.gz BULAIGPKPAJSRF-INIZCTEOSA-N 1 0 489.466 3.679 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001313656316 1070849189 /nfs/dbraw/zinc/84/91/89/1070849189.db2.gz HQHVOWNKFZVJLY-SJLPKXTDSA-N 1 0 479.467 3.897 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001313657054 1070853881 /nfs/dbraw/zinc/85/38/81/1070853881.db2.gz IGYLAEDZHQYAII-QKKBWIMNSA-N 1 0 497.869 3.793 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001313657648 1070856449 /nfs/dbraw/zinc/85/64/49/1070856449.db2.gz NDKIDWABYIKLND-IFMALSPDSA-N 1 0 490.718 3.798 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2nccnc2C)CC1 ZINC001313657860 1070857706 /nfs/dbraw/zinc/85/77/06/1070857706.db2.gz OULZRORZURJNPD-KRWDZBQOSA-N 1 0 487.027 3.893 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001313659642 1070863706 /nfs/dbraw/zinc/86/37/06/1070863706.db2.gz ITNRMSQHAFGDNX-SJLPKXTDSA-N 1 0 473.025 3.874 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001313658001 1070858495 /nfs/dbraw/zinc/85/84/95/1070858495.db2.gz AWJRHMWTBDFVLL-JTSKRJEESA-N 1 0 456.541 3.927 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001313658086 1070858785 /nfs/dbraw/zinc/85/87/85/1070858785.db2.gz XCJJDSFYMYIJOH-NIYFSFCBSA-N 1 0 487.645 3.708 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001313658436 1070859273 /nfs/dbraw/zinc/85/92/73/1070859273.db2.gz YXTMMLPMWSXEPM-WOJBJXKFSA-N 1 0 484.670 3.545 20 0 JHADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001309562412 1070859686 /nfs/dbraw/zinc/85/96/86/1070859686.db2.gz YVPGOYVTAUXTSY-SFHVURJKSA-N 1 0 450.988 3.707 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001313658811 1070860165 /nfs/dbraw/zinc/86/01/65/1070860165.db2.gz GUVZEKAQXUTHTR-HRAATJIYSA-N 1 0 454.541 3.600 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001313659047 1070861679 /nfs/dbraw/zinc/86/16/79/1070861679.db2.gz HKWXTAFMSVBBCC-SFTDATJTSA-N 1 0 463.630 3.503 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCOC1 ZINC001313660012 1070864219 /nfs/dbraw/zinc/86/42/19/1070864219.db2.gz MZRZNHLYJXVRML-IAGOWNOFSA-N 1 0 450.425 3.911 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001313659323 1070862596 /nfs/dbraw/zinc/86/25/96/1070862596.db2.gz IRXASUYRWNRSNC-HSZRJFAPSA-N 1 0 489.668 3.742 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H]1CCCO1 ZINC001313663226 1070871461 /nfs/dbraw/zinc/87/14/61/1070871461.db2.gz HOCWWBYJALDDFS-TZIWHRDSSA-N 1 0 478.682 3.738 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 ZINC001313661066 1070867410 /nfs/dbraw/zinc/86/74/10/1070867410.db2.gz COBAGLZRIGAGRX-SFHVURJKSA-N 1 0 472.037 3.550 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 ZINC001313662232 1070870081 /nfs/dbraw/zinc/87/00/81/1070870081.db2.gz PUEIOJPBKXORHT-RBBKRZOGSA-N 1 0 452.647 3.826 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313662530 1070870527 /nfs/dbraw/zinc/87/05/27/1070870527.db2.gz UASXMGJQECKUQK-NHCUHLMSSA-N 1 0 469.678 3.758 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001313663184 1070871300 /nfs/dbraw/zinc/87/13/00/1070871300.db2.gz HEPAEGMCKMMXBC-FYYLOGMGSA-N 1 0 474.694 3.869 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccco1 ZINC001313663544 1070872651 /nfs/dbraw/zinc/87/26/51/1070872651.db2.gz FSSSXMSMPAIZTQ-FQEVSTJZSA-N 1 0 486.020 3.875 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1)c1ccsc1 ZINC001313663730 1070873403 /nfs/dbraw/zinc/87/34/03/1070873403.db2.gz HBCPHOIBRBLJMW-NRFANRHFSA-N 1 0 468.675 3.971 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nccs2)C1)c1ccccc1 ZINC001313663748 1070873644 /nfs/dbraw/zinc/87/36/44/1070873644.db2.gz HHPICBFOTIPTIZ-RTWAWAEBSA-N 1 0 497.669 3.534 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nccs2)C1)c1ccccc1 ZINC001313663746 1070873834 /nfs/dbraw/zinc/87/38/34/1070873834.db2.gz HHPICBFOTIPTIZ-LEWJYISDSA-N 1 0 497.669 3.534 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC001313663773 1070874615 /nfs/dbraw/zinc/87/46/15/1070874615.db2.gz HRYLXOBFBAWWFD-VWNXMTODSA-N 1 0 492.672 3.617 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001313664294 1070876248 /nfs/dbraw/zinc/87/62/48/1070876248.db2.gz AFHDCRHBWZESNU-AEFFLSMTSA-N 1 0 480.629 3.872 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC)CC1 ZINC001313664334 1070876508 /nfs/dbraw/zinc/87/65/08/1070876508.db2.gz AVZURAIBVHOYEL-HXUWFJFHSA-N 1 0 486.661 3.773 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313664430 1070876533 /nfs/dbraw/zinc/87/65/33/1070876533.db2.gz NDYKGTCXAKQSLH-XQBPLPMBSA-N 1 0 477.675 3.851 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1)c1ccccc1 ZINC001313665775 1070881144 /nfs/dbraw/zinc/88/11/44/1070881144.db2.gz UJMGCEVEQCZJMO-LADGPHEKSA-N 1 0 454.663 3.643 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccn2C)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001314707466 1070878104 /nfs/dbraw/zinc/87/81/04/1070878104.db2.gz UAEGLXOKESNFNU-QHCPKHFHSA-N 1 0 477.657 3.545 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313664963 1070878535 /nfs/dbraw/zinc/87/85/35/1070878535.db2.gz PEGYNIBYNPJKJY-RLWLMLJZSA-N 1 0 484.693 3.578 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC001313666069 1070882395 /nfs/dbraw/zinc/88/23/95/1070882395.db2.gz GOUJYUFKZFCPHP-ICSRJNTNSA-N 1 0 469.609 3.889 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C)C1)c1ccccc1 ZINC001313666264 1070883554 /nfs/dbraw/zinc/88/35/54/1070883554.db2.gz VONBBUJJDRNHKS-PZJWPPBQSA-N 1 0 479.654 3.950 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001313666698 1070885605 /nfs/dbraw/zinc/88/56/05/1070885605.db2.gz IMUTVWUMHZLNCF-FQEVSTJZSA-N 1 0 482.702 3.784 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(Cc2ccsc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314710021 1070887426 /nfs/dbraw/zinc/88/74/26/1070887426.db2.gz NVBIEESDRVHRJZ-FQEVSTJZSA-N 1 0 473.046 3.999 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313667365 1070888604 /nfs/dbraw/zinc/88/86/04/1070888604.db2.gz WZCDWJNYYASDDZ-XUVXKRRUSA-N 1 0 464.655 3.696 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001313668220 1070891674 /nfs/dbraw/zinc/89/16/74/1070891674.db2.gz OKUZWFFOHVELOY-PKOBYXMFSA-N 1 0 471.581 3.802 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001314711180 1070891603 /nfs/dbraw/zinc/89/16/03/1070891603.db2.gz XQLHCKQPOVZCLW-DNQXCXABSA-N 1 0 496.700 3.825 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001313670991 1070899161 /nfs/dbraw/zinc/89/91/61/1070899161.db2.gz MNOCDPVBSIFDBL-GOSISDBHSA-N 1 0 498.697 3.987 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313668656 1070893244 /nfs/dbraw/zinc/89/32/44/1070893244.db2.gz RFPIOJFQMPUGPT-LEWJYISDSA-N 1 0 486.661 3.999 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314711627 1070893253 /nfs/dbraw/zinc/89/32/53/1070893253.db2.gz JPCLFZQFPPVIAB-SFTDATJTSA-N 1 0 490.599 3.993 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001313668890 1070893835 /nfs/dbraw/zinc/89/38/35/1070893835.db2.gz SIWZFPBEWWFWJC-AGHHOFFYSA-N 1 0 462.038 3.949 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001313669520 1070895024 /nfs/dbraw/zinc/89/50/24/1070895024.db2.gz DFMBUZNEYLULRG-RXVVDRJESA-N 1 0 467.618 3.683 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001313670304 1070896711 /nfs/dbraw/zinc/89/67/11/1070896711.db2.gz HDYLCPCREWTNDU-KRWDZBQOSA-N 1 0 461.536 3.946 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1)c1ccccc1 ZINC001313670668 1070897232 /nfs/dbraw/zinc/89/72/32/1070897232.db2.gz BFTWDSAYAITDLQ-KNQAVFIVSA-N 1 0 451.619 3.765 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccco1 ZINC001313671720 1070900999 /nfs/dbraw/zinc/90/09/99/1070900999.db2.gz KKCOGAULJOUPQE-OAQYLSRUSA-N 1 0 467.618 3.690 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)c1ccsc1 ZINC001313674433 1070911769 /nfs/dbraw/zinc/91/17/69/1070911769.db2.gz JGQAZONREJNGIV-REWPJTCUSA-N 1 0 496.681 3.977 20 0 JHADRO O=S(=O)(NC/C=C/c1cccnc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309666380 1070911961 /nfs/dbraw/zinc/91/19/61/1070911961.db2.gz RBJTVAJPPWQACC-XIQFKVFHSA-N 1 0 451.567 3.822 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C)C1)c1ccsc1 ZINC001313674516 1070912449 /nfs/dbraw/zinc/91/24/49/1070912449.db2.gz KMNFBPLRBZTRFT-PZJWPPBQSA-N 1 0 457.648 3.509 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001313674720 1070913529 /nfs/dbraw/zinc/91/35/29/1070913529.db2.gz WHVKHPLPQQUUCF-OREGWCPLSA-N 1 0 482.673 3.954 20 0 JHADRO CN(Cc1c(F)cccc1Cl)c1nnc([C@@H]2CCCCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314720199 1070914376 /nfs/dbraw/zinc/91/43/76/1070914376.db2.gz QLOSJFOFFOSWKR-NRFANRHFSA-N 1 0 479.044 3.975 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccco1 ZINC001313675218 1070914984 /nfs/dbraw/zinc/91/49/84/1070914984.db2.gz YHQATRVOEBBTEI-OALUTQOASA-N 1 0 471.993 3.590 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=CCC1)c1ccco1 ZINC001313675363 1070915619 /nfs/dbraw/zinc/91/56/19/1070915619.db2.gz SIKVLZLJKRDMTA-JOCHJYFZSA-N 1 0 498.653 3.638 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314720932 1070917241 /nfs/dbraw/zinc/91/72/41/1070917241.db2.gz HMVKHQJGOBRLIV-OAQYLSRUSA-N 1 0 468.968 3.805 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 ZINC001313676077 1070919852 /nfs/dbraw/zinc/91/98/52/1070919852.db2.gz UYGZOAXFEHIVDZ-QHCPKHFHSA-N 1 0 452.647 3.796 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1)c1ccsc1 ZINC001313676284 1070920387 /nfs/dbraw/zinc/92/03/87/1070920387.db2.gz ZECALNBZNJPKOG-QHCPKHFHSA-N 1 0 482.654 3.767 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313676650 1070922162 /nfs/dbraw/zinc/92/21/62/1070922162.db2.gz YOTGVJUSJMQVAS-KRWDZBQOSA-N 1 0 456.557 3.936 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314723291 1070923230 /nfs/dbraw/zinc/92/32/30/1070923230.db2.gz YUVWDCDORGPELU-UHFFFAOYSA-N 1 0 459.520 3.911 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1)c1ccsc1 ZINC001313677676 1070926249 /nfs/dbraw/zinc/92/62/49/1070926249.db2.gz LNPMMHZLMJYEFM-VQTJNVASSA-N 1 0 458.676 3.822 20 0 JHADRO CCN(CC)c1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001313678600 1070929785 /nfs/dbraw/zinc/92/97/85/1070929785.db2.gz DQRNTKRTWKJCHY-UHFFFAOYSA-N 1 0 462.646 3.859 20 0 JHADRO CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001313682665 1070943376 /nfs/dbraw/zinc/94/33/76/1070943376.db2.gz NCFVPLDSSYDLOM-UHFFFAOYSA-N 1 0 455.006 3.845 20 0 JHADRO CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001313688124 1070947554 /nfs/dbraw/zinc/94/75/54/1070947554.db2.gz IBXUUWZFHBHAKJ-IBGZPJMESA-N 1 0 464.655 3.555 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@H]2CCCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001314730480 1070947974 /nfs/dbraw/zinc/94/79/74/1070947974.db2.gz YHANOXJETGOKRH-INIZCTEOSA-N 1 0 498.491 3.743 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)CCCS2)CC1 ZINC001313691329 1070950776 /nfs/dbraw/zinc/95/07/76/1070950776.db2.gz IUQHOKQNLIPMAT-QHCPKHFHSA-N 1 0 457.648 3.522 20 0 JHADRO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@H]2CCCCO2)n1CC[N@H+](C)C1CCCCC1 ZINC001314731868 1070951701 /nfs/dbraw/zinc/95/17/01/1070951701.db2.gz VUPYRKAJKMTYNO-JOCHJYFZSA-N 1 0 454.619 3.520 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccsc3)n2Cc2csc(COC)n2)CC1 ZINC001313692825 1070953458 /nfs/dbraw/zinc/95/34/58/1070953458.db2.gz CBRDJIOJLMNVGF-UHFFFAOYSA-N 1 0 460.673 3.892 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(OC)cc2OC)CC1 ZINC001313693254 1070954080 /nfs/dbraw/zinc/95/40/80/1070954080.db2.gz AZPGFUOYNGAANQ-UHFFFAOYSA-N 1 0 464.614 3.911 20 0 JHADRO CN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCC(O)CC1 ZINC001314732952 1070954085 /nfs/dbraw/zinc/95/40/85/1070954085.db2.gz DNFPQALSTISGFQ-UHFFFAOYSA-N 1 0 491.409 3.658 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc4cccnc43)n2CCNC(=O)C(C)C)CC1 ZINC001313695087 1070958656 /nfs/dbraw/zinc/95/86/56/1070958656.db2.gz MVTNYERXBAOZRT-UHFFFAOYSA-N 1 0 463.630 3.576 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001313693753 1070955209 /nfs/dbraw/zinc/95/52/09/1070955209.db2.gz NWSMONVOLGXOIW-XMMPIXPASA-N 1 0 454.644 3.544 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001313694151 1070956690 /nfs/dbraw/zinc/95/66/90/1070956690.db2.gz DYICFVCKFNTAHI-TZIWHRDSSA-N 1 0 478.682 3.642 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](Cc2ccccc2)OC)CC1 ZINC001313695282 1070959291 /nfs/dbraw/zinc/95/92/91/1070959291.db2.gz ODPTYGMMUDYXRS-UPVQGACJSA-N 1 0 455.647 3.740 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](Cc2ccccc2)OC)CC1 ZINC001313695278 1070959346 /nfs/dbraw/zinc/95/93/46/1070959346.db2.gz ODPTYGMMUDYXRS-ISKFKSNPSA-N 1 0 455.647 3.740 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001313695104 1070959393 /nfs/dbraw/zinc/95/93/93/1070959393.db2.gz LZCRGVQVRRHHJI-IBGZPJMESA-N 1 0 460.589 3.715 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001313695723 1070960755 /nfs/dbraw/zinc/96/07/55/1070960755.db2.gz BAVOBLXSFWQOLB-VQTJNVASSA-N 1 0 488.702 3.785 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCC(=O)NC2CC2)CC1 ZINC001313696831 1070964537 /nfs/dbraw/zinc/96/45/37/1070964537.db2.gz XIQLZLRSLLERMJ-UHFFFAOYSA-N 1 0 459.038 3.968 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCSC)CC1 ZINC001313695914 1070961375 /nfs/dbraw/zinc/96/13/75/1070961375.db2.gz RVGMEFNFZASUQE-HXUWFJFHSA-N 1 0 496.722 3.650 20 0 JHADRO Cc1cc(S(=O)(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)c(F)cc1Br ZINC001309771601 1070961767 /nfs/dbraw/zinc/96/17/67/1070961767.db2.gz DMMOVYYTMHARFT-UHFFFAOYSA-N 1 0 455.393 3.839 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CCCC2)CC1 ZINC001313696309 1070962605 /nfs/dbraw/zinc/96/26/05/1070962605.db2.gz GASCGZBUMPQBSZ-UHFFFAOYSA-N 1 0 488.702 3.696 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc([C@@H](C)O)cc2)CC1 ZINC001313696452 1070963044 /nfs/dbraw/zinc/96/30/44/1070963044.db2.gz HBKRIWBJYSPBQM-LJQANCHMSA-N 1 0 496.681 3.682 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnn(CC(C)C)c2C)CC1 ZINC001313696433 1070963098 /nfs/dbraw/zinc/96/30/98/1070963098.db2.gz GWXPWAUXTVEVGF-UHFFFAOYSA-N 1 0 481.693 3.660 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOC(C)C)CC1 ZINC001313697420 1070966252 /nfs/dbraw/zinc/96/62/52/1070966252.db2.gz ZVWTZLNHIWHHOJ-UHFFFAOYSA-N 1 0 451.619 3.866 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CCCc3ccccc3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001313697613 1070966931 /nfs/dbraw/zinc/96/69/31/1070966931.db2.gz RRPCDFBPQJHQQE-UHFFFAOYSA-N 1 0 487.714 3.589 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2cnnn2C)CC1 ZINC001313697584 1070966946 /nfs/dbraw/zinc/96/69/46/1070966946.db2.gz MSKRNMRVKJSBDL-UHFFFAOYSA-N 1 0 487.450 3.503 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cc(C)nn2C)CC1 ZINC001313697487 1070966996 /nfs/dbraw/zinc/96/69/96/1070966996.db2.gz QDIYAHMENHFJMY-UHFFFAOYSA-N 1 0 451.619 3.566 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314737649 1070967837 /nfs/dbraw/zinc/96/78/37/1070967837.db2.gz OUIRUGGIGGGSJQ-HUBRWUETSA-N 1 0 480.682 3.758 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001313697931 1070968989 /nfs/dbraw/zinc/96/89/89/1070968989.db2.gz XWQXSHKQGCJRFJ-MSOLQXFVSA-N 1 0 462.639 3.718 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001313698111 1070969405 /nfs/dbraw/zinc/96/94/05/1070969405.db2.gz SFGDNCMMGBSUNA-SBUREZEXSA-N 1 0 492.462 3.558 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2COCCO2)CC1 ZINC001313698089 1070969693 /nfs/dbraw/zinc/96/96/93/1070969693.db2.gz RHGUTZAEALKFQA-HSZRJFAPSA-N 1 0 455.647 3.969 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CC=CCC2)CC1 ZINC001313698664 1070970836 /nfs/dbraw/zinc/97/08/36/1070970836.db2.gz CCNVVVIBXWEUDG-JOCHJYFZSA-N 1 0 450.631 3.600 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](SC)C(C)(C)C)CC1 ZINC001313698491 1070970913 /nfs/dbraw/zinc/97/09/13/1070970913.db2.gz FBMIDRVYZRTXBF-HXUWFJFHSA-N 1 0 492.759 3.699 20 0 JHADRO COC(=O)C(C)(C)c1ccc(S(=O)(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001309794324 1070970999 /nfs/dbraw/zinc/97/09/99/1070970999.db2.gz JBICKXWXQBIBBO-JOCHJYFZSA-N 1 0 458.624 3.812 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C/C=C\c2ccccc2)CC1 ZINC001313698888 1070971539 /nfs/dbraw/zinc/97/15/39/1070971539.db2.gz DMEXJXDLTUWPAU-XFXZXTDPSA-N 1 0 462.598 3.550 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc(-c2ccccn2)n1CC[NH+]1CCSCC1 ZINC001314739096 1070971608 /nfs/dbraw/zinc/97/16/08/1070971608.db2.gz KVWMJSXXFXSUJU-UHFFFAOYSA-N 1 0 473.444 3.788 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc(-c2ccc[nH]2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314739193 1070971682 /nfs/dbraw/zinc/97/16/82/1070971682.db2.gz OUWNTIVWUQLBFJ-UHFFFAOYSA-N 1 0 486.462 3.698 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CCC(CNC(C)=O)CC2)c1 ZINC001313699336 1070973348 /nfs/dbraw/zinc/97/33/48/1070973348.db2.gz BJOQHFKEGHGXRU-UHFFFAOYSA-N 1 0 475.641 3.583 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(C(C)(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001314739674 1070973373 /nfs/dbraw/zinc/97/33/73/1070973373.db2.gz NSHLAOVPRUNDAR-XIFFEERXSA-N 1 0 473.687 3.594 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](OC)C(C)C)CC1 ZINC001313700010 1070975916 /nfs/dbraw/zinc/97/59/16/1070975916.db2.gz SGBOXINOHZDSOJ-DEOSSOPVSA-N 1 0 498.716 3.904 20 0 JHADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(Cc2ccsc2)n1CC1([NH+](C)C)CCCC1 ZINC001314740012 1070974029 /nfs/dbraw/zinc/97/40/29/1070974029.db2.gz QTNLJMFUNOSQIU-UHFFFAOYSA-N 1 0 487.695 3.845 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@H](C)SC)CC1 ZINC001313701168 1070979348 /nfs/dbraw/zinc/97/93/48/1070979348.db2.gz SKDGHYZIRWTGQR-FQEVSTJZSA-N 1 0 495.697 3.544 20 0 JHADRO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@H]2CCCOC2)n1CCC[NH+]1CCC(O)CC1 ZINC001314742487 1070981452 /nfs/dbraw/zinc/98/14/52/1070981452.db2.gz YAPPUOSNGOOJOW-IBGZPJMESA-N 1 0 481.563 3.674 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001313700367 1070976852 /nfs/dbraw/zinc/97/68/52/1070976852.db2.gz WNMWHWWBKOFPED-BVAGGSTKSA-N 1 0 496.700 3.695 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cc(C)nn2C)C1 ZINC001313701758 1070981332 /nfs/dbraw/zinc/98/13/32/1070981332.db2.gz KCKKBVZOKNJIMH-KRWDZBQOSA-N 1 0 460.001 3.996 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCOCC2(C)C)C1 ZINC001313702586 1070984770 /nfs/dbraw/zinc/98/47/70/1070984770.db2.gz PQUINNKXHUBKRP-FQEVSTJZSA-N 1 0 475.081 3.877 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C3CCC3)nnc2N2CCC[C@@H](CNC(C)=O)C2)cc1 ZINC001313702509 1070984781 /nfs/dbraw/zinc/98/47/81/1070984781.db2.gz BUUDKAVBEREUHI-QHCPKHFHSA-N 1 0 452.647 3.788 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001313703039 1070986111 /nfs/dbraw/zinc/98/61/11/1070986111.db2.gz VLUQOYYQVCPYEZ-NRFANRHFSA-N 1 0 452.647 3.904 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001313703607 1070987373 /nfs/dbraw/zinc/98/73/73/1070987373.db2.gz ZVUHRRGPYLSGJU-QFIPXVFZSA-N 1 0 478.641 3.959 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313703711 1070988005 /nfs/dbraw/zinc/98/80/05/1070988005.db2.gz DENUHBQEIUFTQF-DEOSSOPVSA-N 1 0 489.668 3.971 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(CC)C2)cc1 ZINC001313704255 1070989281 /nfs/dbraw/zinc/98/92/81/1070989281.db2.gz JUPYPUVHNAHVEQ-WIOPSUGQSA-N 1 0 473.687 3.697 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001313704044 1070989352 /nfs/dbraw/zinc/98/93/52/1070989352.db2.gz SWSRXQGHPUHABY-HXUWFJFHSA-N 1 0 464.614 3.828 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 ZINC001313703927 1070989409 /nfs/dbraw/zinc/98/94/09/1070989409.db2.gz IKFULSGPKRFKOY-PKTZIBPZSA-N 1 0 482.673 3.903 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cnc(C)s2)cc1 ZINC001313704892 1070990607 /nfs/dbraw/zinc/99/06/07/1070990607.db2.gz MTGIPVNHBMJYBX-NRFANRHFSA-N 1 0 467.643 3.521 20 0 JHADRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCOCC1 ZINC001309837323 1070991252 /nfs/dbraw/zinc/99/12/52/1070991252.db2.gz GFUIAXOJMDNSCH-UHFFFAOYSA-N 1 0 456.530 3.806 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCCCC1 ZINC001313705080 1070992526 /nfs/dbraw/zinc/99/25/26/1070992526.db2.gz QKSSMQSOCXZTRO-JOCHJYFZSA-N 1 0 473.687 3.839 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313705854 1070994964 /nfs/dbraw/zinc/99/49/64/1070994964.db2.gz VZMPBYDZAGATEH-GJZUVCINSA-N 1 0 468.646 3.515 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCSC2)C1 ZINC001313706234 1070995573 /nfs/dbraw/zinc/99/55/73/1070995573.db2.gz AVAFMVPQRYNMHX-VGSWGCGISA-N 1 0 450.052 3.635 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCSC2(C)C)C1 ZINC001313707704 1070998749 /nfs/dbraw/zinc/99/87/49/1070998749.db2.gz OTMDHOIVVAOSQA-OALUTQOASA-N 1 0 471.675 3.625 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001313707586 1070998882 /nfs/dbraw/zinc/99/88/82/1070998882.db2.gz POJUCDMSLNDFGF-SFHVURJKSA-N 1 0 475.519 3.850 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001313710030 1071003493 /nfs/dbraw/zinc/00/34/93/1071003493.db2.gz HNCTYKIMMQHWFI-FDFHNCONSA-N 1 0 490.693 3.597 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OC(F)(F)F)C1 ZINC001313707800 1070998976 /nfs/dbraw/zinc/99/89/76/1070998976.db2.gz SMLADNNCTIXHIV-KRWDZBQOSA-N 1 0 477.535 3.794 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001313708803 1071000796 /nfs/dbraw/zinc/00/07/96/1071000796.db2.gz ZLIAIZVFFWBNPW-HXUWFJFHSA-N 1 0 455.651 3.886 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C3CCCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001313709130 1071001422 /nfs/dbraw/zinc/00/14/22/1071001422.db2.gz CQXOIUGYKYHNJV-CTNGQTDRSA-N 1 0 486.627 3.757 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([S@@](C)=O)CCC2)C1 ZINC001313709215 1071001583 /nfs/dbraw/zinc/00/15/83/1071001583.db2.gz IQOPLRUEDLBFGZ-ZHVIVGSQSA-N 1 0 479.735 3.666 20 0 JHADRO CCn1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@H](C[NH+](CC)CC)C2)c1=O ZINC001313709259 1071002143 /nfs/dbraw/zinc/00/21/43/1071002143.db2.gz JJXNKDSTVYZCPQ-YMPZKCBVSA-N 1 0 484.689 3.595 20 0 JHADRO CN(Cc1ccccn1)c1nnc(-c2cccc(Br)c2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314750831 1071002847 /nfs/dbraw/zinc/00/28/47/1071002847.db2.gz OHOWBECDNNNFGB-QFIPXVFZSA-N 1 0 499.457 3.976 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001313710562 1071004582 /nfs/dbraw/zinc/00/45/82/1071004582.db2.gz HGOKQRLYNKDVHD-RBUKOAKNSA-N 1 0 475.707 3.903 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001313710524 1071004601 /nfs/dbraw/zinc/00/46/01/1071004601.db2.gz GLUGLNJRUPTAFE-HXUWFJFHSA-N 1 0 468.067 3.734 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCC(C(F)(F)F)CC2)C1 ZINC001313712481 1071009085 /nfs/dbraw/zinc/00/90/85/1071009085.db2.gz PZJTTZSSYPMCKL-VLOYRQLPSA-N 1 0 470.584 3.766 20 0 JHADRO CCC[C@@H](NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C(=O)OC ZINC001309898261 1071009160 /nfs/dbraw/zinc/00/91/60/1071009160.db2.gz DNSXFCLTOBQBQS-BHDDXSALSA-N 1 0 465.015 3.569 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)C1 ZINC001313710931 1071005910 /nfs/dbraw/zinc/00/59/10/1071005910.db2.gz CSKMUJJUPCROKX-RQZFFVEVSA-N 1 0 464.079 3.602 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)SC)C1 ZINC001313711421 1071006162 /nfs/dbraw/zinc/00/61/62/1071006162.db2.gz MVEFVTPKWGEKLQ-QGZVFWFLSA-N 1 0 469.659 3.904 20 0 JHADRO CC[NH+](CC)CCCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001313711537 1071006568 /nfs/dbraw/zinc/00/65/68/1071006568.db2.gz NNOOTAKXYCHGJG-UHFFFAOYSA-N 1 0 465.017 3.888 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313711778 1071007196 /nfs/dbraw/zinc/00/71/96/1071007196.db2.gz GKNSFBYRNRRZQJ-MRXNPFEDSA-N 1 0 450.990 3.527 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001313712117 1071007930 /nfs/dbraw/zinc/00/79/30/1071007930.db2.gz SBMKHEQOKKTHSI-LJQANCHMSA-N 1 0 459.038 3.825 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001313710523 1071004110 /nfs/dbraw/zinc/00/41/10/1071004110.db2.gz GLUGLNJRUPTAFE-FQEVSTJZSA-N 1 0 468.067 3.734 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001313712816 1071010071 /nfs/dbraw/zinc/01/00/71/1071010071.db2.gz VAOIMZGRJVKICS-GOSISDBHSA-N 1 0 458.676 3.674 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001313713365 1071010263 /nfs/dbraw/zinc/01/02/63/1071010263.db2.gz ZJQMHDRSHMVEBW-GOSISDBHSA-N 1 0 468.577 3.952 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001313714699 1071012716 /nfs/dbraw/zinc/01/27/16/1071012716.db2.gz OCZXFXFZDLYJKW-UXHICEINSA-N 1 0 489.462 3.687 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1Cc2cccc(Br)c2C1 ZINC001313715006 1071013662 /nfs/dbraw/zinc/01/36/62/1071013662.db2.gz AGNFWFGNHHOHED-UHFFFAOYSA-N 1 0 456.392 3.750 20 0 JHADRO O=S(=O)(CCOCc1ccccc1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001309916316 1071016122 /nfs/dbraw/zinc/01/61/22/1071016122.db2.gz XGNHPTWUMVRKHL-IZZNHLLZSA-N 1 0 450.604 3.791 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001313716770 1071016400 /nfs/dbraw/zinc/01/64/00/1071016400.db2.gz AAPROLHIXVIFBW-XMSQKQJNSA-N 1 0 463.573 3.760 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(-c2ccccc2Br)n1CC[NH+]1CCCCCC1 ZINC001314760290 1071016376 /nfs/dbraw/zinc/01/63/76/1071016376.db2.gz IAKBPIDQPSMSQM-UHFFFAOYSA-N 1 0 472.435 3.954 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1 ZINC001313719229 1071020125 /nfs/dbraw/zinc/02/01/25/1071020125.db2.gz KOHBKWUEYRXOHO-VQIMIIECSA-N 1 0 465.067 3.534 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1 ZINC001313718051 1071018417 /nfs/dbraw/zinc/01/84/17/1071018417.db2.gz VDYKHAGHVIVKGA-NHCUHLMSSA-N 1 0 478.682 3.801 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313718926 1071019436 /nfs/dbraw/zinc/01/94/36/1071019436.db2.gz HFVPZEXRKNODSZ-QRVBRYPASA-N 1 0 461.582 3.677 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001313719882 1071020992 /nfs/dbraw/zinc/02/09/92/1071020992.db2.gz XUDBQETXRZKTHU-WBADGQHESA-N 1 0 477.694 3.560 20 0 JHADRO O=S(=O)(NCC[NH2+]C(c1ccccc1)c1ccccc1)c1cc2c(cc1Cl)OCCO2 ZINC001309936473 1071022192 /nfs/dbraw/zinc/02/21/92/1071022192.db2.gz SJKNBEZBIJOAKP-UHFFFAOYSA-N 1 0 458.967 3.769 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001313721088 1071022613 /nfs/dbraw/zinc/02/26/13/1071022613.db2.gz DNLFOJPYXOALOZ-STSQHVNTSA-N 1 0 492.462 3.822 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@](C)(CC)C1 ZINC001313721322 1071023936 /nfs/dbraw/zinc/02/39/36/1071023936.db2.gz YMLNPJOAJFXRHS-OHUGHZGNSA-N 1 0 478.682 3.786 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001313721683 1071025207 /nfs/dbraw/zinc/02/52/07/1071025207.db2.gz IQFGMKPAMBQRSD-GOSISDBHSA-N 1 0 459.038 3.920 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001313723422 1071028720 /nfs/dbraw/zinc/02/87/20/1071028720.db2.gz LBYZZAXOEROTKL-UTKZUKDTSA-N 1 0 487.555 3.645 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313723216 1071028766 /nfs/dbraw/zinc/02/87/66/1071028766.db2.gz LQZRFJYCRKPCCK-UZLBHIALSA-N 1 0 464.536 3.935 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001313724084 1071030176 /nfs/dbraw/zinc/03/01/76/1071030176.db2.gz MQRZVIJCEOHKTJ-OAQYLSRUSA-N 1 0 454.663 3.914 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001313724114 1071030230 /nfs/dbraw/zinc/03/02/30/1071030230.db2.gz PZVOIHIGTBHDEB-JOCHJYFZSA-N 1 0 475.641 3.731 20 0 JHADRO CCn1cc(C2CCN(c3nnc(Cc4ccccn4)n3C[C@@H](C)[NH+](CC)CC)CC2)cn1 ZINC001313723166 1071028293 /nfs/dbraw/zinc/02/82/93/1071028293.db2.gz BMYWVLVCYKNCFA-HXUWFJFHSA-N 1 0 450.635 3.595 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313723393 1071028663 /nfs/dbraw/zinc/02/86/63/1071028663.db2.gz JXXMELABKYTQQA-MOPGFXCFSA-N 1 0 481.601 3.607 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 ZINC001313725292 1071032154 /nfs/dbraw/zinc/03/21/54/1071032154.db2.gz ILTZUUALWQASPQ-OIBXWCBGSA-N 1 0 457.619 3.837 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001313725501 1071033068 /nfs/dbraw/zinc/03/30/68/1071033068.db2.gz KOJSETUUGVITBH-SLYNCCJLSA-N 1 0 492.462 3.853 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001313725711 1071033456 /nfs/dbraw/zinc/03/34/56/1071033456.db2.gz PCQAZXIJWMWIPA-FCEUIQTBSA-N 1 0 459.660 3.560 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001313725710 1071033483 /nfs/dbraw/zinc/03/34/83/1071033483.db2.gz PCQAZXIJWMWIPA-CEMLEFRQSA-N 1 0 459.660 3.560 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 ZINC001313725946 1071034213 /nfs/dbraw/zinc/03/42/13/1071034213.db2.gz VNRVPWLPPXQBQY-VAMGGRTRSA-N 1 0 464.655 3.553 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001313727035 1071036111 /nfs/dbraw/zinc/03/61/11/1071036111.db2.gz KOGUQJOBENNULB-XLGIIRLISA-N 1 0 471.646 3.588 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001313727475 1071037263 /nfs/dbraw/zinc/03/72/63/1071037263.db2.gz AXDIGYWRCZFZMW-DRLORSAXSA-N 1 0 455.647 3.568 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001313727681 1071037643 /nfs/dbraw/zinc/03/76/43/1071037643.db2.gz YTDMLSMYONLVJU-MSOLQXFVSA-N 1 0 456.616 3.587 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313727658 1071037649 /nfs/dbraw/zinc/03/76/49/1071037649.db2.gz XPZFSFNDXXBEDR-JTDSTZFVSA-N 1 0 473.515 3.883 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001313727648 1071037751 /nfs/dbraw/zinc/03/77/51/1071037751.db2.gz WXQAEVNKNDRGGN-HXUWFJFHSA-N 1 0 470.687 3.716 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC[NH+]1CCCC1 ZINC001313727936 1071038283 /nfs/dbraw/zinc/03/82/83/1071038283.db2.gz AQPPNRRESSXROB-UHFFFAOYSA-N 1 0 482.032 3.818 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnccn2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001313728474 1071039755 /nfs/dbraw/zinc/03/97/55/1071039755.db2.gz JPOVJVIGJOPJRF-DEOSSOPVSA-N 1 0 490.656 3.584 20 0 JHADRO CN(Cc1nccs1)c1nnc(-c2cccc(Cl)c2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314773021 1071040690 /nfs/dbraw/zinc/04/06/90/1071040690.db2.gz KUJSIZQCKYTALA-LJQANCHMSA-N 1 0 461.035 3.928 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(CN2CCCC2=O)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001313729888 1071043064 /nfs/dbraw/zinc/04/30/64/1071043064.db2.gz DFXWZSVWUXOOCS-OALUTQOASA-N 1 0 474.600 3.826 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(C(=O)N2CCCC2)n1CC[NH+]1CCC(C)CC1 ZINC001313730056 1071043665 /nfs/dbraw/zinc/04/36/65/1071043665.db2.gz RIOQHFVCMGEYMC-UHFFFAOYSA-N 1 0 465.067 3.987 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313731409 1071047019 /nfs/dbraw/zinc/04/70/19/1071047019.db2.gz LAMAAKLSYAKXGF-SOLBZPMBSA-N 1 0 495.093 3.858 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001313731667 1071047664 /nfs/dbraw/zinc/04/76/64/1071047664.db2.gz PCWPSHVOHQYEQB-DOTOQJQBSA-N 1 0 451.040 3.703 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(Cl)nc2)n1CC1([NH+](C)C)CCCCC1 ZINC001314776870 1071049265 /nfs/dbraw/zinc/04/92/65/1071049265.db2.gz FDVWSHLORBJGLG-UHFFFAOYSA-N 1 0 493.994 3.751 20 0 JHADRO COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC001310003183 1071051291 /nfs/dbraw/zinc/05/12/91/1071051291.db2.gz LYEQSSBCPSIXPD-SFHVURJKSA-N 1 0 451.571 3.816 20 0 JHADRO COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC001310003181 1071051377 /nfs/dbraw/zinc/05/13/77/1071051377.db2.gz LYEQSSBCPSIXPD-GOSISDBHSA-N 1 0 451.571 3.816 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001313734183 1071053829 /nfs/dbraw/zinc/05/38/29/1071053829.db2.gz MRLHRWRCNNLOAP-IBGZPJMESA-N 1 0 452.578 3.782 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)CC1 ZINC001310017823 1071062437 /nfs/dbraw/zinc/06/24/37/1071062437.db2.gz HDFSDEVHONXHEO-MQKZXWNDSA-N 1 0 451.011 3.576 20 0 JHADRO CN(CC1CC(F)C1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314785615 1071062797 /nfs/dbraw/zinc/06/27/97/1071062797.db2.gz NCWINQHGLPKZOM-FAFZWHIHSA-N 1 0 462.639 3.574 20 0 JHADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001313737637 1071060977 /nfs/dbraw/zinc/06/09/77/1071060977.db2.gz JHQNNEHBTGAKIR-SFTDATJTSA-N 1 0 457.619 3.700 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)NCCNc3ncccc3C(F)(F)F)c(C)c2)CC1 ZINC001310020262 1071065631 /nfs/dbraw/zinc/06/56/31/1071065631.db2.gz RHHVMAUDMSUUQG-UHFFFAOYSA-N 1 0 450.509 3.784 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc(-c2cnn(C)c2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313741939 1071068300 /nfs/dbraw/zinc/06/83/00/1071068300.db2.gz JLVDYZIKAQEDPG-OYRHEFFESA-N 1 0 451.619 3.513 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001313745136 1071072854 /nfs/dbraw/zinc/07/28/54/1071072854.db2.gz NJOLQCHIMYOXET-QHCPKHFHSA-N 1 0 452.578 3.863 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)NC[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001310037756 1071076712 /nfs/dbraw/zinc/07/67/12/1071076712.db2.gz YEUMXLSHUSIIOO-VWLOTQADSA-N 1 0 459.635 3.987 20 0 JHADRO CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1CCN1CCOCC1(C)C ZINC001313747486 1071076664 /nfs/dbraw/zinc/07/66/64/1071076664.db2.gz UGMJVJPGBYYWBZ-UHFFFAOYSA-N 1 0 460.673 3.833 20 0 JHADRO CCN(Cc1cccs1)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001313747380 1071076927 /nfs/dbraw/zinc/07/69/27/1071076927.db2.gz GMHRENGRICUPGE-HXOBKFHXSA-N 1 0 459.591 3.712 20 0 JHADRO C[C@H](CCNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)[NH+]1CCCCC1 ZINC001310043451 1071080642 /nfs/dbraw/zinc/08/06/42/1071080642.db2.gz RECMUNSLYKURQT-VAMGGRTRSA-N 1 0 450.649 3.739 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(OC)c2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001313750460 1071082010 /nfs/dbraw/zinc/08/20/10/1071082010.db2.gz JSSFSLSLMCHTCH-HSZRJFAPSA-N 1 0 451.619 3.834 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314803323 1071087178 /nfs/dbraw/zinc/08/71/78/1071087178.db2.gz FURSMOIQFWDJDS-UECWXEIQSA-N 1 0 465.708 3.639 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+](C)Cc1ccccc1 ZINC001313752219 1071087939 /nfs/dbraw/zinc/08/79/39/1071087939.db2.gz LAAFYNHCRNOVJF-UHFFFAOYSA-N 1 0 497.445 3.928 20 0 JHADRO Cc1ccc(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)c(OC[C@@H]2CCCO2)c1 ZINC001310059139 1071090031 /nfs/dbraw/zinc/09/00/31/1071090031.db2.gz HSENHTOGWVELHU-QHCPKHFHSA-N 1 0 452.599 3.935 20 0 JHADRO CN(C[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](C2CC2)[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC001314805700 1071092353 /nfs/dbraw/zinc/09/23/53/1071092353.db2.gz VUFFXAHXFIDDAP-NZQKXSOJSA-N 1 0 497.688 3.687 20 0 JHADRO CN(C[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](C2CC2)[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC001314805701 1071092425 /nfs/dbraw/zinc/09/24/25/1071092425.db2.gz VUFFXAHXFIDDAP-OFNKIYASSA-N 1 0 497.688 3.687 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccccn2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001313754410 1071093150 /nfs/dbraw/zinc/09/31/50/1071093150.db2.gz PDZIGMKVQKTISS-UHFFFAOYSA-N 1 0 450.635 3.858 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(CC(C)(C)C)n1Cc1ccc(-n2ccnc2)c(F)c1 ZINC001313754553 1071093257 /nfs/dbraw/zinc/09/32/57/1071093257.db2.gz ANNPYUIWTUNGCC-UHFFFAOYSA-N 1 0 450.566 4.000 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314807041 1071095491 /nfs/dbraw/zinc/09/54/91/1071095491.db2.gz DNVXJCXERIEHKS-CVDCTZTESA-N 1 0 464.079 3.822 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2csc(C)n2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001313755468 1071095815 /nfs/dbraw/zinc/09/58/15/1071095815.db2.gz UBQHWSYWCRGSTP-JOCHJYFZSA-N 1 0 470.691 3.904 20 0 JHADRO CCN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc(CCc2ccccc2)n1C[C@@H](C)[NH+](C)C ZINC001313756707 1071099803 /nfs/dbraw/zinc/09/98/03/1071099803.db2.gz HEDCNBWIRAKANS-QGZVFWFLSA-N 1 0 465.627 3.750 20 0 JHADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001314810637 1071104167 /nfs/dbraw/zinc/10/41/67/1071104167.db2.gz GEFUUJQPWRFWPD-QFIPXVFZSA-N 1 0 487.714 3.891 20 0 JHADRO CCN(CC1CC1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001313764141 1071110729 /nfs/dbraw/zinc/11/07/29/1071110729.db2.gz FICNHPNHSFVVKO-SFTDATJTSA-N 1 0 460.667 3.969 20 0 JHADRO CCN(CC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001313764424 1071111797 /nfs/dbraw/zinc/11/17/97/1071111797.db2.gz HLKOHPBLAADMSE-RBBKRZOGSA-N 1 0 490.693 3.945 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(C(C)(C)C)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001313770672 1071120267 /nfs/dbraw/zinc/12/02/67/1071120267.db2.gz HVMMIVIYFIPMBG-QHCPKHFHSA-N 1 0 455.647 3.586 20 0 JHADRO CC[N@H+](CCC1CCN(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1)CC(C)C ZINC001310110791 1071124873 /nfs/dbraw/zinc/12/48/73/1071124873.db2.gz KORYTZAQQCJQHD-UHFFFAOYSA-N 1 0 458.647 3.700 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001313772820 1071125474 /nfs/dbraw/zinc/12/54/74/1071125474.db2.gz VKBBQRAOMORYQJ-AUSIDOKSSA-N 1 0 481.613 3.989 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccccc2Cl)n1CC1([NH+](C)C)CCOCC1 ZINC001314818312 1071127959 /nfs/dbraw/zinc/12/79/59/1071127959.db2.gz ABIRWUAKLWTWEN-UHFFFAOYSA-N 1 0 478.037 3.545 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001313774574 1071129514 /nfs/dbraw/zinc/12/95/14/1071129514.db2.gz ULYWWHQAOSBBJL-DENIHFKCSA-N 1 0 451.619 3.813 20 0 JHADRO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC001310129387 1071141007 /nfs/dbraw/zinc/14/10/07/1071141007.db2.gz HYLBYVCYVNVXDX-NTKDMRAZSA-N 1 0 451.615 3.785 20 0 JHADRO CCc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)[NH+](CC)CC)cc1 ZINC001310132159 1071143231 /nfs/dbraw/zinc/14/32/31/1071143231.db2.gz HOSCTWAWSKJVFL-XMMPIXPASA-N 1 0 452.599 3.926 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001313780177 1071144168 /nfs/dbraw/zinc/14/41/68/1071144168.db2.gz LAIUSVBORXKICP-YADHBBJMSA-N 1 0 490.693 3.884 20 0 JHADRO CN(CCC(F)F)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314824478 1071147630 /nfs/dbraw/zinc/14/76/30/1071147630.db2.gz FTLYSUIIIPFGFC-QFIPXVFZSA-N 1 0 461.586 3.660 20 0 JHADRO CN(CCC(F)F)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001314824631 1071147749 /nfs/dbraw/zinc/14/77/49/1071147749.db2.gz COIAXAMANLPKEY-WOJBJXKFSA-N 1 0 464.580 3.872 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314826304 1071149971 /nfs/dbraw/zinc/14/99/71/1071149971.db2.gz WVYJUPWROTWTCU-GOSISDBHSA-N 1 0 491.562 3.701 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C1)CC(F)(F)F ZINC001313785508 1071160299 /nfs/dbraw/zinc/16/02/99/1071160299.db2.gz IPCBGAFKFHOPKS-FQEVSTJZSA-N 1 0 486.627 3.721 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)C1)CC(F)(F)F ZINC001313785700 1071161031 /nfs/dbraw/zinc/16/10/31/1071161031.db2.gz LXVXXLUARSTBFD-WOJBJXKFSA-N 1 0 486.627 3.757 20 0 JHADRO CN(CCc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314831483 1071163704 /nfs/dbraw/zinc/16/37/04/1071163704.db2.gz FAAKTLAIXNESLU-FQEVSTJZSA-N 1 0 470.618 3.583 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC2([NH+](C)C)CCC2)C1)CC(F)(F)F ZINC001313787614 1071168533 /nfs/dbraw/zinc/16/85/33/1071168533.db2.gz FUHTUENORWGWPN-LJQANCHMSA-N 1 0 479.595 3.843 20 0 JHADRO CCN(CC1CCN(c2nnc(C)n2C[C@H](c2ccco2)[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC001313788291 1071174473 /nfs/dbraw/zinc/17/44/73/1071174473.db2.gz RKGNTDYESSACCV-HXUWFJFHSA-N 1 0 460.623 3.956 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)C[NH+]2CCCC2)C1)CC(F)(F)F ZINC001313788101 1071172245 /nfs/dbraw/zinc/17/22/45/1071172245.db2.gz ICDRESYONXICOD-IBGZPJMESA-N 1 0 494.610 3.568 20 0 JHADRO 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CC[N@H+](CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1)C(C)C ZINC001313819846 1071275471 /nfs/dbraw/zinc/27/54/71/1071275471.db2.gz HDCKWZCIGAUUKP-HXUWFJFHSA-N 1 0 469.552 3.972 20 0 JHADRO C[N@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSCC1)C1CCCC1 ZINC001314868041 1071276299 /nfs/dbraw/zinc/27/62/99/1071276299.db2.gz VXLLSZLRXXXIEU-IBGZPJMESA-N 1 0 464.680 3.778 20 0 JHADRO CC(=O)NCc1ccc(NC(=O)NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cc1 ZINC001310300104 1071282964 /nfs/dbraw/zinc/28/29/64/1071282964.db2.gz NFWYGEAKSGRLLN-PMACEKPBSA-N 1 0 452.599 3.654 20 0 JHADRO CC[N@H+](CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)C(C)C ZINC001313821547 1071283124 /nfs/dbraw/zinc/28/31/24/1071283124.db2.gz DJJAQROGKKUBBH-QHCPKHFHSA-N 1 0 493.077 3.985 20 0 JHADRO CC[N@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[C@H]21)CCC(F)(F)F ZINC001313822260 1071285215 /nfs/dbraw/zinc/28/52/15/1071285215.db2.gz NIXUYMJJCLRVDI-JKSUJKDBSA-N 1 0 470.565 3.533 20 0 JHADRO 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20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001313873748 1071426394 /nfs/dbraw/zinc/42/63/94/1071426394.db2.gz MCGFWXUQAOVOOU-DLBZAZTESA-N 1 0 454.541 3.780 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313873790 1071426422 /nfs/dbraw/zinc/42/64/22/1071426422.db2.gz DJAYWDDWULSZKR-PCCBWWKXSA-N 1 0 494.606 3.969 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313873788 1071426498 /nfs/dbraw/zinc/42/64/98/1071426498.db2.gz DJAYWDDWULSZKR-ACRUOGEOSA-N 1 0 494.606 3.969 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001313873749 1071426531 /nfs/dbraw/zinc/42/65/31/1071426531.db2.gz MCGFWXUQAOVOOU-IAGOWNOFSA-N 1 0 454.541 3.780 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001314954047 1071426706 /nfs/dbraw/zinc/42/67/06/1071426706.db2.gz PTNHTBBGHRVUAN-WOJBJXKFSA-N 1 0 465.646 3.757 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1)c1ccsc1 ZINC001310490152 1071428407 /nfs/dbraw/zinc/42/84/07/1071428407.db2.gz BHBKCAALVHSRKJ-IBGZPJMESA-N 1 0 450.630 3.702 20 0 JHADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)cc1)C[C@H]1CCCCO1 ZINC001310490844 1071430119 /nfs/dbraw/zinc/43/01/19/1071430119.db2.gz PXBPTGZOWBOMIK-PKTZIBPZSA-N 1 0 456.562 3.953 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2F)C[C@@H]1C ZINC001313875989 1071436869 /nfs/dbraw/zinc/43/68/69/1071436869.db2.gz NOMLBARJDBEXKG-HOTGVXAUSA-N 1 0 474.581 3.515 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001313876386 1071437504 /nfs/dbraw/zinc/43/75/04/1071437504.db2.gz JGOACRZGHWWRRJ-VWLOTQADSA-N 1 0 496.700 3.706 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3C)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001313877264 1071439304 /nfs/dbraw/zinc/43/93/04/1071439304.db2.gz VRMHETZRMBGRRM-MOPGFXCFSA-N 1 0 450.587 3.633 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCCO[C@@H]2CCOC2)C[C@H]1C ZINC001313875532 1071434631 /nfs/dbraw/zinc/43/46/31/1071434631.db2.gz MOKMIBOKRVPTJQ-AOHZBQACSA-N 1 0 471.646 3.588 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CC(=O)NC2CCCCC2)C[C@H]1C ZINC001313875485 1071434653 /nfs/dbraw/zinc/43/46/53/1071434653.db2.gz LYCVRXGBMFXZBW-NHCUHLMSSA-N 1 0 468.646 3.533 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C(C)C)cs2)C[C@@H]1C ZINC001313877050 1071439852 /nfs/dbraw/zinc/43/98/52/1071439852.db2.gz QXMSOHNMXQAINA-RBUKOAKNSA-N 1 0 456.664 3.687 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001314960837 1071435552 /nfs/dbraw/zinc/43/55/52/1071435552.db2.gz HAUZPENDNHRDCK-VWLOTQADSA-N 1 0 489.064 3.834 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2F)C[C@H]1C ZINC001313878641 1071445390 /nfs/dbraw/zinc/44/53/90/1071445390.db2.gz WQZDMMICKHPHJX-SJORKVTESA-N 1 0 474.531 3.679 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313878164 1071443790 /nfs/dbraw/zinc/44/37/90/1071443790.db2.gz VWJOVUGXVMMZNS-UHFFFAOYSA-N 1 0 478.563 3.690 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313879239 1071448469 /nfs/dbraw/zinc/44/84/69/1071448469.db2.gz ZEKXZGNFVSTCDQ-UXHICEINSA-N 1 0 456.635 3.621 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313879238 1071448611 /nfs/dbraw/zinc/44/86/11/1071448611.db2.gz ZEKXZGNFVSTCDQ-PMACEKPBSA-N 1 0 456.635 3.621 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001314966198 1071448849 /nfs/dbraw/zinc/44/88/49/1071448849.db2.gz OONRWZNKMWDSBF-AFMDSPMNSA-N 1 0 464.614 3.938 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313879408 1071450043 /nfs/dbraw/zinc/45/00/43/1071450043.db2.gz BIAAKMXIEFFWQV-SIKLNZKXSA-N 1 0 489.686 3.508 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001313879852 1071451168 /nfs/dbraw/zinc/45/11/68/1071451168.db2.gz CYHUFBGRCWYXBA-NRFANRHFSA-N 1 0 471.646 3.947 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3CCCOC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001313879903 1071451236 /nfs/dbraw/zinc/45/12/36/1071451236.db2.gz MIFMMXIMQRQCCW-NNWRFLSQSA-N 1 0 490.693 3.644 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc([C@H]2CCOC2)n1CCC1CC[NH+](CC)CC1 ZINC001313880251 1071452485 /nfs/dbraw/zinc/45/24/85/1071452485.db2.gz RPUVZUZZAGYHLD-ZEQRLZLVSA-N 1 0 455.647 3.772 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001313880864 1071453187 /nfs/dbraw/zinc/45/31/87/1071453187.db2.gz BFHGLTWBLLGJDO-GOSISDBHSA-N 1 0 464.536 3.511 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cnccn3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001313882143 1071457493 /nfs/dbraw/zinc/45/74/93/1071457493.db2.gz VXIWPBAMCCJHSL-OAQYLSRUSA-N 1 0 498.676 3.550 20 0 JHADRO CC[NH+]1CCC(CCn2c(CSc3ccc(C)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001313882250 1071457505 /nfs/dbraw/zinc/45/75/05/1071457505.db2.gz UUIOGDSMZSAPCS-HXUWFJFHSA-N 1 0 470.687 3.668 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cnccn3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC001313882188 1071457528 /nfs/dbraw/zinc/45/75/28/1071457528.db2.gz XKHULAJZXGIKGA-OAQYLSRUSA-N 1 0 490.656 3.513 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001313881473 1071455327 /nfs/dbraw/zinc/45/53/27/1071455327.db2.gz AZJJEYPSYGBVPD-ZJSXRUAMSA-N 1 0 471.646 3.528 20 0 JHADRO CC[NH+]1CCC(CCn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001313881951 1071456515 /nfs/dbraw/zinc/45/65/15/1071456515.db2.gz DJTNLNATNWJLND-IBGZPJMESA-N 1 0 456.610 3.859 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@@H]2C)C[C@H]1C ZINC001313882679 1071458968 /nfs/dbraw/zinc/45/89/68/1071458968.db2.gz GCOSOPDLJKBTSZ-PNDCXUBYSA-N 1 0 490.693 3.519 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001313882530 1071458989 /nfs/dbraw/zinc/45/89/89/1071458989.db2.gz YITJJXVBOPABEU-BLKABHOGSA-N 1 0 490.693 3.784 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313882749 1071459000 /nfs/dbraw/zinc/45/90/00/1071459000.db2.gz GYZUMZLFHGGTOJ-GVDBMIGSSA-N 1 0 468.524 3.541 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001313882586 1071459103 /nfs/dbraw/zinc/45/91/03/1071459103.db2.gz YXUWQLDSIMAMFY-UHFFFAOYSA-N 1 0 482.673 3.555 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@@H](CNC(C)=O)C2)C1 ZINC001313882961 1071460577 /nfs/dbraw/zinc/46/05/77/1071460577.db2.gz BXAHHVJMYRKHOF-XWGVYQGASA-N 1 0 482.673 3.729 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCC(COC)CC2)C1 ZINC001313883460 1071461420 /nfs/dbraw/zinc/46/14/20/1071461420.db2.gz HQWKBPYAFPILEX-GOSISDBHSA-N 1 0 462.436 3.912 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccncc3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001313883621 1071462858 /nfs/dbraw/zinc/46/28/58/1071462858.db2.gz VGGNZCDLKOMOKI-UUWRZZSWSA-N 1 0 480.682 3.760 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313884978 1071465736 /nfs/dbraw/zinc/46/57/36/1071465736.db2.gz ONRLEVUYUODMEI-XSDIEEQYSA-N 1 0 476.666 3.696 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(C)cc2C)C[C@@H]1C ZINC001313885372 1071465841 /nfs/dbraw/zinc/46/58/41/1071465841.db2.gz OTYFHEVEUFRFFU-DVKRWUGUSA-N 1 0 455.647 3.781 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001313885079 1071465869 /nfs/dbraw/zinc/46/58/69/1071465869.db2.gz WUKAPEWBSKXDNP-GMAHTHKFSA-N 1 0 482.673 3.729 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)CCc2cnccn2)C1 ZINC001313885169 1071466353 /nfs/dbraw/zinc/46/63/53/1071466353.db2.gz XVURGCLPAKVZBQ-QGZVFWFLSA-N 1 0 470.419 3.518 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001314976372 1071468232 /nfs/dbraw/zinc/46/82/32/1071468232.db2.gz MUUSCEAQGBQFKF-NRFANRHFSA-N 1 0 475.641 3.765 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(O)(CC)CC)C[C@@H]1C ZINC001313886325 1071469938 /nfs/dbraw/zinc/46/99/38/1071469938.db2.gz RTDUIFIUOWKZRX-LWYYNNOASA-N 1 0 478.682 3.519 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314978146 1071474888 /nfs/dbraw/zinc/47/48/88/1071474888.db2.gz QCBMHVMQSDWTGO-AMGIVPHBSA-N 1 0 482.673 3.783 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCSC[C@H]2C)C1 ZINC001313887028 1071472438 /nfs/dbraw/zinc/47/24/38/1071472438.db2.gz SGFNVNPBYCWBIX-CVEARBPZSA-N 1 0 450.450 3.991 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CCOCC2CC2)C1 ZINC001313887743 1071474142 /nfs/dbraw/zinc/47/41/42/1071474142.db2.gz KOZNPQXCCLLSGR-OAQYLSRUSA-N 1 0 490.693 3.597 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)C1 ZINC001313887831 1071474345 /nfs/dbraw/zinc/47/43/45/1071474345.db2.gz LFQKFTXFCYROLX-IAGOWNOFSA-N 1 0 486.533 3.562 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(CC(C)(C)C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001314978892 1071476396 /nfs/dbraw/zinc/47/63/96/1071476396.db2.gz JUBAEAXXQHGWBF-PMACEKPBSA-N 1 0 454.663 3.983 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCS[C@H](C)C2)C1 ZINC001313888361 1071476867 /nfs/dbraw/zinc/47/68/67/1071476867.db2.gz NTZBTAOGQZCEFL-MOPGFXCFSA-N 1 0 478.707 3.676 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001313888562 1071477690 /nfs/dbraw/zinc/47/76/90/1071477690.db2.gz WOWZXXSFAHRSOG-WOJBJXKFSA-N 1 0 458.676 3.666 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC001313889372 1071479304 /nfs/dbraw/zinc/47/93/04/1071479304.db2.gz HTWDXPFMISGSSA-GOTSBHOMSA-N 1 0 496.700 3.884 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001313889192 1071479438 /nfs/dbraw/zinc/47/94/38/1071479438.db2.gz HIVWHQHABRGMGI-QZTJIDSGSA-N 1 0 467.536 3.986 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)C1 ZINC001313889220 1071479471 /nfs/dbraw/zinc/47/94/71/1071479471.db2.gz HKKLBWMBPYLDPO-YADHBBJMSA-N 1 0 484.714 3.962 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC001313889389 1071480111 /nfs/dbraw/zinc/48/01/11/1071480111.db2.gz HTWDXPFMISGSSA-XZOQPEGZSA-N 1 0 496.700 3.884 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCC2)C1 ZINC001314980231 1071481241 /nfs/dbraw/zinc/48/12/41/1071481241.db2.gz ZUYZEOMBXWYSPI-HSZRJFAPSA-N 1 0 495.455 3.612 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N(C)Cc2cnc(C(C)C)nc2)C1 ZINC001313890020 1071481477 /nfs/dbraw/zinc/48/14/77/1071481477.db2.gz XDDRVLJMCPVGTE-LJQANCHMSA-N 1 0 451.594 3.900 20 0 JHADRO CNC(=O)c1cccc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001314980657 1071482848 /nfs/dbraw/zinc/48/28/48/1071482848.db2.gz YQQJIEGLXWSECE-UHFFFAOYSA-N 1 0 482.032 3.516 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313892596 1071487739 /nfs/dbraw/zinc/48/77/39/1071487739.db2.gz GGBXBIZRJXMKDT-IEBWSBKVSA-N 1 0 477.053 3.907 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001313893180 1071489224 /nfs/dbraw/zinc/48/92/24/1071489224.db2.gz LOSOUDQUBCDIHT-SVFBPWRDSA-N 1 0 489.064 3.840 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001313893583 1071490211 /nfs/dbraw/zinc/49/02/11/1071490211.db2.gz ONJNMQPUHKOQKS-KRWDZBQOSA-N 1 0 464.952 3.576 20 0 JHADRO CNC(=O)c1ccn([C@H]2CCCN(c3nnc(CC(C)C)n3CCC[N@H+](C)C3CCCCC3)C2)n1 ZINC001314984174 1071490376 /nfs/dbraw/zinc/49/03/76/1071490376.db2.gz BNXFOQWWXRIYHQ-QFIPXVFZSA-N 1 0 484.693 3.529 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313894018 1071492540 /nfs/dbraw/zinc/49/25/40/1071492540.db2.gz RVNCBQHQUYVQMC-ICSRJNTNSA-N 1 0 472.609 3.523 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001313894271 1071493293 /nfs/dbraw/zinc/49/32/93/1071493293.db2.gz RRLOHNBSZPFIQB-ROUUACIJSA-N 1 0 452.525 3.538 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)C1 ZINC001313895243 1071495769 /nfs/dbraw/zinc/49/57/69/1071495769.db2.gz LOSFOFSLBGVZDM-IRLDBZIGSA-N 1 0 497.688 3.735 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](OCCOC)C1 ZINC001313895531 1071497191 /nfs/dbraw/zinc/49/71/91/1071497191.db2.gz IOQIJOSDJKJOQB-ZWKOTPCHSA-N 1 0 468.429 3.978 20 0 JHADRO CCn1nc(-c2nnc(N(C)[C@H](C)CCSC)n2C[C@@H]2CC[N@H+](CC)C2)c2ccccc2c1=O ZINC001313895766 1071497872 /nfs/dbraw/zinc/49/78/72/1071497872.db2.gz VWNGTAIDZMUJPU-RTBURBONSA-N 1 0 483.686 3.595 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC001314987073 1071498087 /nfs/dbraw/zinc/49/80/87/1071498087.db2.gz APPANTMVLYEGLC-PKTZIBPZSA-N 1 0 466.674 3.975 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC001314987072 1071498118 /nfs/dbraw/zinc/49/81/18/1071498118.db2.gz APPANTMVLYEGLC-GOTSBHOMSA-N 1 0 466.674 3.975 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313896333 1071499448 /nfs/dbraw/zinc/49/94/48/1071499448.db2.gz NUHORTXYIZZDDY-FQEVSTJZSA-N 1 0 494.640 3.952 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001313896593 1071500395 /nfs/dbraw/zinc/50/03/95/1071500395.db2.gz GPPIXQGYLOZTCE-ZLNRFVROSA-N 1 0 468.646 3.505 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCCC(=O)NC ZINC001313896865 1071501019 /nfs/dbraw/zinc/50/10/19/1071501019.db2.gz RXDBOZJXJZXLFG-PKOBYXMFSA-N 1 0 458.676 3.578 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313897575 1071502775 /nfs/dbraw/zinc/50/27/75/1071502775.db2.gz YXWLDVXIGFUTEB-QAPCUYQASA-N 1 0 465.429 3.793 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001313895859 1071497888 /nfs/dbraw/zinc/49/78/88/1071497888.db2.gz LFAJOMIJYWEREA-NFBKMPQASA-N 1 0 482.673 3.815 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC001313897673 1071503600 /nfs/dbraw/zinc/50/36/00/1071503600.db2.gz WJWKEAGGXNZKRP-FCHUYYIVSA-N 1 0 496.700 3.596 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1 ZINC001313898316 1071504929 /nfs/dbraw/zinc/50/49/29/1071504929.db2.gz QJGMCKJKRIXTBI-XSDIEEQYSA-N 1 0 476.666 3.601 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[NH+]2CCCCC2)C1 ZINC001314992879 1071509333 /nfs/dbraw/zinc/50/93/33/1071509333.db2.gz CVEASVAMYNLIAB-JOCHJYFZSA-N 1 0 482.673 3.737 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001314993008 1071509748 /nfs/dbraw/zinc/50/97/48/1071509748.db2.gz YJJDXIKKTXFSDW-QFIPXVFZSA-N 1 0 470.637 3.627 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001313900995 1071510313 /nfs/dbraw/zinc/51/03/13/1071510313.db2.gz UEAHRRIUGAINMD-IFMALSPDSA-N 1 0 458.695 3.826 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC001313901026 1071510889 /nfs/dbraw/zinc/51/08/89/1071510889.db2.gz UQLODDILNPPJSD-QHCPKHFHSA-N 1 0 484.664 3.941 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314994399 1071511449 /nfs/dbraw/zinc/51/14/49/1071511449.db2.gz NEIGONAOCCYCQX-FCHUYYIVSA-N 1 0 482.673 3.638 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F ZINC001313901604 1071511925 /nfs/dbraw/zinc/51/19/25/1071511925.db2.gz YJZPXZRAFVWIAE-QZTJIDSGSA-N 1 0 470.609 3.968 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001313901843 1071512349 /nfs/dbraw/zinc/51/23/49/1071512349.db2.gz IBFVVWZOSPGIPB-IBGZPJMESA-N 1 0 461.054 3.630 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313904827 1071520049 /nfs/dbraw/zinc/52/00/49/1071520049.db2.gz UZKDZUWRUAAWRW-HSALFYBXSA-N 1 0 469.634 3.564 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001314997075 1071515674 /nfs/dbraw/zinc/51/56/74/1071515674.db2.gz OIRYKGOXYDBMHX-HXUWFJFHSA-N 1 0 486.636 3.613 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001313903876 1071516702 /nfs/dbraw/zinc/51/67/02/1071516702.db2.gz FITOXBFHMFWTIY-QHCPKHFHSA-N 1 0 470.637 3.696 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 ZINC001313904202 1071517700 /nfs/dbraw/zinc/51/77/00/1071517700.db2.gz QFKMTGBABBATGZ-TZIWHRDSSA-N 1 0 462.038 3.961 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313904684 1071519163 /nfs/dbraw/zinc/51/91/63/1071519163.db2.gz RYKQVMUSSQLJRG-PMACEKPBSA-N 1 0 451.537 3.705 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cc2ccccc2o1 ZINC001313905135 1071520599 /nfs/dbraw/zinc/52/05/99/1071520599.db2.gz NKGPTRLVDIGZQL-NLWGTHIKSA-N 1 0 488.658 3.706 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313906548 1071524113 /nfs/dbraw/zinc/52/41/13/1071524113.db2.gz XQAGCGMOWCKXNY-YPAWHYETSA-N 1 0 468.646 3.611 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313906595 1071524133 /nfs/dbraw/zinc/52/41/33/1071524133.db2.gz ZWNZVJCNTUJANM-FCHUYYIVSA-N 1 0 498.672 3.830 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313906662 1071524820 /nfs/dbraw/zinc/52/48/20/1071524820.db2.gz YJAHMACWMRDLEJ-LJQANCHMSA-N 1 0 491.478 3.933 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001313905112 1071520740 /nfs/dbraw/zinc/52/07/40/1071520740.db2.gz NGCAVNLWSGMJHO-NRFANRHFSA-N 1 0 489.462 3.687 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001313905537 1071521413 /nfs/dbraw/zinc/52/14/13/1071521413.db2.gz MLRJFPQLUJAGIZ-OAHLLOKOSA-N 1 0 464.401 3.699 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313905939 1071522817 /nfs/dbraw/zinc/52/28/17/1071522817.db2.gz WETKABXWTAVOQB-FPOVZHCZSA-N 1 0 469.630 3.638 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001313906226 1071523285 /nfs/dbraw/zinc/52/32/85/1071523285.db2.gz VIIHABGSXASUGV-PCCBWWKXSA-N 1 0 498.697 3.934 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001313907245 1071527641 /nfs/dbraw/zinc/52/76/41/1071527641.db2.gz ZYEJFXLBGNALFA-QIJUGHKUSA-N 1 0 489.064 3.597 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313907576 1071528227 /nfs/dbraw/zinc/52/82/27/1071528227.db2.gz IIGXHTBQIYPSTO-KNQAVFIVSA-N 1 0 454.663 3.935 20 0 JHADRO CNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001315003035 1071528712 /nfs/dbraw/zinc/52/87/12/1071528712.db2.gz NPTRAEDXEJKZAK-DHIUTWEWSA-N 1 0 488.721 3.671 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCSCC1 ZINC001313908623 1071530322 /nfs/dbraw/zinc/53/03/22/1071530322.db2.gz AAQDUDNJPUUTNU-FQEVSTJZSA-N 1 0 478.707 3.820 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001313909762 1071533253 /nfs/dbraw/zinc/53/32/53/1071533253.db2.gz CSHHDJYHAIZAQT-XQBPLPMBSA-N 1 0 473.584 3.924 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCOc1ccccc1C ZINC001313910405 1071535334 /nfs/dbraw/zinc/53/53/34/1071535334.db2.gz XIRFQVSGULESLF-HSZRJFAPSA-N 1 0 465.646 3.838 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@](C)(CC)C1 ZINC001313911543 1071537536 /nfs/dbraw/zinc/53/75/36/1071537536.db2.gz CVJJHUHSYSTKHA-CJFMBICVSA-N 1 0 457.619 3.745 20 0 JHADRO CNC(=O)CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001315017385 1071537558 /nfs/dbraw/zinc/53/75/58/1071537558.db2.gz SEBJJIZJICQGAQ-LJQANCHMSA-N 1 0 489.064 3.910 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(CCOC)CC(C)C ZINC001313911656 1071537674 /nfs/dbraw/zinc/53/76/74/1071537674.db2.gz QHXYPFVKTDNYET-LJQANCHMSA-N 1 0 467.618 3.577 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313911170 1071537695 /nfs/dbraw/zinc/53/76/95/1071537695.db2.gz IJVMZMRTBKYZDN-QFIPXVFZSA-N 1 0 473.065 3.879 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313912397 1071539996 /nfs/dbraw/zinc/53/99/96/1071539996.db2.gz IOQVAGVAUQGFTL-QGUKFAFCSA-N 1 0 477.694 3.835 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313912338 1071540129 /nfs/dbraw/zinc/54/01/29/1071540129.db2.gz HPKWHOJSMQZIKV-WJFTUGDTSA-N 1 0 473.584 3.839 20 0 JHADRO CCN1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC001313914008 1071546339 /nfs/dbraw/zinc/54/63/39/1071546339.db2.gz ORNVFUFMEWMTGJ-UGKGYDQZSA-N 1 0 486.636 3.736 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nnc1C(C)(C)C ZINC001313914446 1071547583 /nfs/dbraw/zinc/54/75/83/1071547583.db2.gz NERDKMOWIMZOAA-HSALFYBXSA-N 1 0 460.667 3.753 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001313913605 1071543859 /nfs/dbraw/zinc/54/38/59/1071543859.db2.gz QCMYVGSBOBNUKC-RBBKRZOGSA-N 1 0 477.650 3.609 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCCC[N@@H+]2CC)CC1=O ZINC001313914538 1071547962 /nfs/dbraw/zinc/54/79/62/1071547962.db2.gz ZVWWVURSABVFQA-JOCHJYFZSA-N 1 0 498.672 3.674 20 0 JHADRO CCN1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+](CC)C2CC2)CC1=O ZINC001313913737 1071544381 /nfs/dbraw/zinc/54/43/81/1071544381.db2.gz MDQWANJQCORHDO-NRFANRHFSA-N 1 0 468.646 3.578 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313914762 1071548613 /nfs/dbraw/zinc/54/86/13/1071548613.db2.gz NPJCIUDDYJAJFN-ZFGGDYGUSA-N 1 0 465.708 3.771 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313914914 1071549260 /nfs/dbraw/zinc/54/92/60/1071549260.db2.gz OXRURTUQAHXLOH-NJDAHSKKSA-N 1 0 476.666 3.840 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOCC1 ZINC001313915467 1071550433 /nfs/dbraw/zinc/55/04/33/1071550433.db2.gz SIJFOPSXRMBIOS-KRWDZBQOSA-N 1 0 454.402 3.875 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(C(C)(C)C)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001315026281 1071551434 /nfs/dbraw/zinc/55/14/34/1071551434.db2.gz XCFDDTWOAULYKY-IRLDBZIGSA-N 1 0 454.663 3.839 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccccc2Cl)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315026539 1071551852 /nfs/dbraw/zinc/55/18/52/1071551852.db2.gz GTMDJXSCUUUKDH-KDURUIRLSA-N 1 0 461.054 3.929 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313916097 1071552052 /nfs/dbraw/zinc/55/20/52/1071552052.db2.gz VJAARFBOZQWTLF-NRFANRHFSA-N 1 0 489.064 3.867 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](COC)C1 ZINC001313916140 1071552529 /nfs/dbraw/zinc/55/25/29/1071552529.db2.gz WJVFVBQUDVIIFI-YUMYIRISSA-N 1 0 490.693 3.786 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315026851 1071552903 /nfs/dbraw/zinc/55/29/03/1071552903.db2.gz IOHPKEPLPBLIEF-UHFFFAOYSA-N 1 0 465.646 3.664 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315028586 1071556493 /nfs/dbraw/zinc/55/64/93/1071556493.db2.gz KGCFXEBHEXLREQ-IBGZPJMESA-N 1 0 451.619 3.511 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001315030122 1071558884 /nfs/dbraw/zinc/55/88/84/1071558884.db2.gz QIAAVKFQYBZPHY-QFIPXVFZSA-N 1 0 470.637 3.768 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001315030972 1071559918 /nfs/dbraw/zinc/55/99/18/1071559918.db2.gz YIHOEMIMEOYTCA-SFHVURJKSA-N 1 0 476.616 3.620 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(CC(C)(C)C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001315030724 1071559977 /nfs/dbraw/zinc/55/99/77/1071559977.db2.gz WKRNHJJSCVTPKC-UHFFFAOYSA-N 1 0 464.724 3.581 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CC2CCOCC2)CC1 ZINC001313921192 1071561383 /nfs/dbraw/zinc/56/13/83/1071561383.db2.gz OYLANOGBFRCLLR-ISKFKSNPSA-N 1 0 498.716 3.924 20 0 JHADRO CCN1CCCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313921553 1071562056 /nfs/dbraw/zinc/56/20/56/1071562056.db2.gz OXCZKNXDQUVQNU-HSZRJFAPSA-N 1 0 482.673 3.736 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313921862 1071562351 /nfs/dbraw/zinc/56/23/51/1071562351.db2.gz TWYKYMCHMFJLRE-KNQAVFIVSA-N 1 0 461.054 3.659 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CCCO)CC2)CC1 ZINC001313923953 1071568906 /nfs/dbraw/zinc/56/89/06/1071568906.db2.gz BFGNRCOLANGHNW-LJQANCHMSA-N 1 0 493.071 3.753 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)Cc2ccccn2)CC1 ZINC001313924780 1071571407 /nfs/dbraw/zinc/57/14/07/1071571407.db2.gz IKGRTFXOBWBCFM-IBGZPJMESA-N 1 0 498.473 3.765 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313924845 1071572011 /nfs/dbraw/zinc/57/20/11/1071572011.db2.gz JUVUIKUHDVOADN-LJQANCHMSA-N 1 0 468.671 3.986 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313925728 1071574017 /nfs/dbraw/zinc/57/40/17/1071574017.db2.gz BMIJPVNWESIISA-LADGPHEKSA-N 1 0 498.716 3.687 20 0 JHADRO CNC(=O)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001315042322 1071574239 /nfs/dbraw/zinc/57/42/39/1071574239.db2.gz GWSMZIXSSZLEAI-INIZCTEOSA-N 1 0 495.853 3.562 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N(C)Cc2csc(Br)c2)CC1 ZINC001313926355 1071576192 /nfs/dbraw/zinc/57/61/92/1071576192.db2.gz FKBHHMYZASEDRP-INIZCTEOSA-N 1 0 481.508 3.717 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001313926656 1071576925 /nfs/dbraw/zinc/57/69/25/1071576925.db2.gz DYGMMHIQORTVBS-DHIUTWEWSA-N 1 0 484.689 3.504 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313927766 1071581231 /nfs/dbraw/zinc/58/12/31/1071581231.db2.gz LZRHWJMGODQCHD-FPOVZHCZSA-N 1 0 486.627 3.585 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313927291 1071579370 /nfs/dbraw/zinc/57/93/70/1071579370.db2.gz KIHLNEPIBZDIMM-FQEVSTJZSA-N 1 0 458.626 3.649 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC001313928057 1071582458 /nfs/dbraw/zinc/58/24/58/1071582458.db2.gz NFIIVDRNXAYESI-RBBKRZOGSA-N 1 0 456.654 3.906 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313928042 1071582632 /nfs/dbraw/zinc/58/26/32/1071582632.db2.gz NCDYPFZUKPLGOB-FGZHOGPDSA-N 1 0 482.652 3.502 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313928248 1071583016 /nfs/dbraw/zinc/58/30/16/1071583016.db2.gz SYYLXJGZEDUILL-LXFBAYGMSA-N 1 0 498.716 3.833 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313928250 1071583097 /nfs/dbraw/zinc/58/30/97/1071583097.db2.gz SYYLXJGZEDUILL-QDPGVEIFSA-N 1 0 498.716 3.833 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001313928585 1071584321 /nfs/dbraw/zinc/58/43/21/1071584321.db2.gz UKNKUGPZSVDDAF-NRFANRHFSA-N 1 0 466.630 3.729 20 0 JHADRO CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001313929175 1071585845 /nfs/dbraw/zinc/58/58/45/1071585845.db2.gz NWDZJNXOHYRVDD-ISKFKSNPSA-N 1 0 454.663 3.615 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2sccc2C)C[C@H]1C ZINC001313929630 1071587569 /nfs/dbraw/zinc/58/75/69/1071587569.db2.gz HWJCMUAOYSFFMC-QGZVFWFLSA-N 1 0 473.046 3.810 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313930894 1071590351 /nfs/dbraw/zinc/59/03/51/1071590351.db2.gz DCTMCYVSAYWESO-WZONZLPQSA-N 1 0 481.563 3.916 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001315082293 1071591797 /nfs/dbraw/zinc/59/17/97/1071591797.db2.gz AWKIESNUFIOVMM-DENIHFKCSA-N 1 0 473.593 3.506 20 0 JHADRO COC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001315088097 1071593133 /nfs/dbraw/zinc/59/31/33/1071593133.db2.gz KYOQKBIYEDUXSM-UHFFFAOYSA-N 1 0 482.448 3.643 20 0 JHADRO COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001315088104 1071593151 /nfs/dbraw/zinc/59/31/51/1071593151.db2.gz LEPLMKWWJQOCTL-KDOFPFPSSA-N 1 0 496.837 3.701 20 0 JHADRO COC(=O)[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001315089896 1071593617 /nfs/dbraw/zinc/59/36/17/1071593617.db2.gz QXIOBNYTOUIKKW-DLBZAZTESA-N 1 0 461.994 3.555 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCC[C@H]2C)C[C@H]1C ZINC001313932654 1071595426 /nfs/dbraw/zinc/59/54/26/1071595426.db2.gz IOGLMEFRSWBYQS-XCGNWRKASA-N 1 0 480.426 3.928 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(C)CCCS2)C[C@H]1C ZINC001313933612 1071598419 /nfs/dbraw/zinc/59/84/19/1071598419.db2.gz LTCOVEDPAHSZIR-FOIQADDNSA-N 1 0 467.481 3.862 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313933905 1071599881 /nfs/dbraw/zinc/59/98/81/1071599881.db2.gz ONEQYEROPGVOTN-JTQLQIEISA-N 1 0 482.171 3.554 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313934192 1071600989 /nfs/dbraw/zinc/60/09/89/1071600989.db2.gz QIQGCXRNLYHGEB-MOPGFXCFSA-N 1 0 472.634 3.740 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](OC)C2CC2)C[C@H]1C ZINC001313934325 1071601592 /nfs/dbraw/zinc/60/15/92/1071601592.db2.gz RHZWCKYXUDKYOI-AUUYWEPGSA-N 1 0 466.399 3.802 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313936832 1071609656 /nfs/dbraw/zinc/60/96/56/1071609656.db2.gz IJQTZQOMSGROHU-UGKGYDQZSA-N 1 0 457.619 3.700 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1C ZINC001313935455 1071605881 /nfs/dbraw/zinc/60/58/81/1071605881.db2.gz WVJAKZLYVZJQOJ-GOSISDBHSA-N 1 0 490.599 3.726 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CC)C[C@H]1C ZINC001313937033 1071609705 /nfs/dbraw/zinc/60/97/05/1071609705.db2.gz JZOUYGQMQWJWFO-RTBURBONSA-N 1 0 464.655 3.553 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCCC2(C)C)C[C@@H]1C ZINC001313935460 1071606115 /nfs/dbraw/zinc/60/61/15/1071606115.db2.gz WYYMLHSSAZQIKA-KSFYIVLOSA-N 1 0 479.467 3.518 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(C)nc2)C[C@H]1C ZINC001313935592 1071606632 /nfs/dbraw/zinc/60/66/32/1071606632.db2.gz ITNLIDJZPOYGRN-QGZVFWFLSA-N 1 0 455.404 3.990 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2sccc2Br)C[C@H]1C ZINC001313935785 1071606670 /nfs/dbraw/zinc/60/66/70/1071606670.db2.gz YQYPZHHJQYOWQL-IERDGZPVSA-N 1 0 498.491 3.721 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313935598 1071606681 /nfs/dbraw/zinc/60/66/81/1071606681.db2.gz IVSNVDLIRNUZCK-MRXNPFEDSA-N 1 0 471.403 3.690 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCO[C@H]2C(C)C)C[C@@H]1C ZINC001313935875 1071607228 /nfs/dbraw/zinc/60/72/28/1071607228.db2.gz JYQOWSIQFKPVCX-YDHSSHFGSA-N 1 0 457.619 3.554 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2sc(C)nc2C)C[C@@H]1C ZINC001313936536 1071608500 /nfs/dbraw/zinc/60/85/00/1071608500.db2.gz PTMVWJXQMMBBJO-HNNXBMFYSA-N 1 0 456.616 3.614 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C)nc2)C[C@H]1C ZINC001313936601 1071609064 /nfs/dbraw/zinc/60/90/64/1071609064.db2.gz GKRBIXMMRFBUOF-IRLDBZIGSA-N 1 0 483.661 3.675 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313936693 1071609083 /nfs/dbraw/zinc/60/90/83/1071609083.db2.gz ADOIYCQOTFXXAP-LJQANCHMSA-N 1 0 471.650 3.954 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCOc2ccc(Cl)cn2)C[C@@H]1C ZINC001313937862 1071611523 /nfs/dbraw/zinc/61/15/23/1071611523.db2.gz WNJSAELSMBFQQL-KRWDZBQOSA-N 1 0 487.004 3.620 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2nccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313938314 1071612072 /nfs/dbraw/zinc/61/20/72/1071612072.db2.gz ZCGHLGHCWSXQQO-INIZCTEOSA-N 1 0 475.519 3.536 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313939424 1071613319 /nfs/dbraw/zinc/61/33/19/1071613319.db2.gz DKQJFIQXEGBWGD-KXBFYZLASA-N 1 0 450.509 3.924 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313940350 1071614952 /nfs/dbraw/zinc/61/49/52/1071614952.db2.gz WDLMGMYURSCRHG-RBUKOAKNSA-N 1 0 450.553 3.668 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313941836 1071618135 /nfs/dbraw/zinc/61/81/35/1071618135.db2.gz YBYQVWZJUPGFHG-MOPGFXCFSA-N 1 0 476.691 3.964 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCCC2(C)C)C[C@H]1C ZINC001313942026 1071619014 /nfs/dbraw/zinc/61/90/14/1071619014.db2.gz GYQCPDDAFZWONT-QFQXNSOFSA-N 1 0 455.647 3.946 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC001313942046 1071619102 /nfs/dbraw/zinc/61/91/02/1071619102.db2.gz HENNUWSUJHMQNC-JOCHJYFZSA-N 1 0 482.673 3.795 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCSCC(C)C)C[C@@H]1C ZINC001313943199 1071621911 /nfs/dbraw/zinc/62/19/11/1071621911.db2.gz QEELYUBOIAHMCI-SLFFLAALSA-N 1 0 480.723 3.968 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@H](OC)C(F)(F)F)C[C@H]1C ZINC001313942576 1071620707 /nfs/dbraw/zinc/62/07/07/1071620707.db2.gz KDPGHUBCFULOOW-QUCCMNQESA-N 1 0 469.552 3.972 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313943111 1071621966 /nfs/dbraw/zinc/62/19/66/1071621966.db2.gz PVQBRGBBUNCCSW-HXUWFJFHSA-N 1 0 472.634 3.563 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccccc4C)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001313945688 1071626845 /nfs/dbraw/zinc/62/68/45/1071626845.db2.gz TWHHXBRJSOMZJR-GMAHTHKFSA-N 1 0 454.663 3.531 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)c2cccs2)C[C@@H]1C ZINC001313943500 1071623099 /nfs/dbraw/zinc/62/30/99/1071623099.db2.gz SEWQRCVJRPIKGL-YADARESESA-N 1 0 455.628 3.665 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCCOc3ccc(F)cc3)C2)CC1 ZINC001313946203 1071627853 /nfs/dbraw/zinc/62/78/53/1071627853.db2.gz ACEJDBBUCCKZEF-QFIPXVFZSA-N 1 0 472.653 3.691 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2sc(C)nc2C)C[C@H]1C ZINC001313945952 1071627882 /nfs/dbraw/zinc/62/78/82/1071627882.db2.gz MAYZDCGBMCRDBK-OAHLLOKOSA-N 1 0 460.598 3.994 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313946691 1071629066 /nfs/dbraw/zinc/62/90/66/1071629066.db2.gz TYKAAXFHKLEUKT-WOJBJXKFSA-N 1 0 486.661 3.663 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001313946571 1071629091 /nfs/dbraw/zinc/62/90/91/1071629091.db2.gz BLFUUDQTJPNXOW-VWNXMTODSA-N 1 0 486.730 3.766 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2cccc(F)c2)C[C@H]1C ZINC001313946562 1071629173 /nfs/dbraw/zinc/62/91/73/1071629173.db2.gz BGRGYZHVUBMKTK-STZQEDGTSA-N 1 0 459.610 3.945 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4ccsc4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001313947885 1071633054 /nfs/dbraw/zinc/63/30/54/1071633054.db2.gz DDYFLNXZXLHFLE-GOSISDBHSA-N 1 0 470.609 3.735 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)c2cc(C)oc2C)C[C@@H]1C ZINC001313949418 1071636336 /nfs/dbraw/zinc/63/63/36/1071636336.db2.gz QCFFYULMLZTZDZ-DVWYVKNESA-N 1 0 473.662 3.845 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCC(Nc3ccccc3Cl)CC2)CC1 ZINC001313949493 1071636507 /nfs/dbraw/zinc/63/65/07/1071636507.db2.gz JANXFUBAPMLFBH-IBGZPJMESA-N 1 0 460.070 3.594 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313950425 1071638149 /nfs/dbraw/zinc/63/81/49/1071638149.db2.gz PGWOFQXUAWMFNX-CMOCDZPBSA-N 1 0 472.653 3.923 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCC[C@H](c3nc(C(C)C)cs3)C2)CC1 ZINC001313950492 1071638710 /nfs/dbraw/zinc/63/87/10/1071638710.db2.gz PXHZIOFSCDUGLV-FPOVZHCZSA-N 1 0 459.708 3.824 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313950608 1071638898 /nfs/dbraw/zinc/63/88/98/1071638898.db2.gz AKXSSYOPGKWDAX-KDURUIRLSA-N 1 0 492.510 3.556 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313951410 1071641735 /nfs/dbraw/zinc/64/17/35/1071641735.db2.gz TUZBCJFLQQBFCW-LJQANCHMSA-N 1 0 458.651 3.514 20 0 JHADRO CCN1CC[NH+](CCCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001313951470 1071642471 /nfs/dbraw/zinc/64/24/71/1071642471.db2.gz IQIMKSSQTZLOBI-NRFANRHFSA-N 1 0 481.689 3.801 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC001313952497 1071645803 /nfs/dbraw/zinc/64/58/03/1071645803.db2.gz FMJONOFKSVFCHB-IBGZPJMESA-N 1 0 458.626 3.603 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001313953163 1071647627 /nfs/dbraw/zinc/64/76/27/1071647627.db2.gz BVRFSGPJMLMYFJ-QHCPKHFHSA-N 1 0 475.081 3.555 20 0 JHADRO CCN1CC[NH+](CCCCn2c(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001313953720 1071649411 /nfs/dbraw/zinc/64/94/11/1071649411.db2.gz IOJITHWMUNJDJD-IFXFPORBSA-N 1 0 488.746 3.928 20 0 JHADRO CCN1CC[NH+](CCCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313953931 1071650100 /nfs/dbraw/zinc/65/01/00/1071650100.db2.gz LOHYJRFGVZHMFE-PSWAGMNNSA-N 1 0 468.690 3.984 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313954703 1071652377 /nfs/dbraw/zinc/65/23/77/1071652377.db2.gz CAORXEDJVSZDSA-WXVAWEFUSA-N 1 0 468.690 3.778 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313954824 1071652894 /nfs/dbraw/zinc/65/28/94/1071652894.db2.gz QCULZOITKOAOTC-HFZDXXHNSA-N 1 0 460.711 3.851 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001313955317 1071654958 /nfs/dbraw/zinc/65/49/58/1071654958.db2.gz RLJLOHDWYHVJJJ-NRFANRHFSA-N 1 0 477.657 3.567 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313955277 1071654990 /nfs/dbraw/zinc/65/49/90/1071654990.db2.gz QXGZVVADKOPXMI-QKNQBKEWSA-N 1 0 476.616 3.531 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](COC)C2)CC1 ZINC001313956005 1071657521 /nfs/dbraw/zinc/65/75/21/1071657521.db2.gz XAGUZFKSJMOCRK-RTWAWAEBSA-N 1 0 475.081 3.735 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313956086 1071657578 /nfs/dbraw/zinc/65/75/78/1071657578.db2.gz KGAWKBASUNHLJX-NFBKMPQASA-N 1 0 486.730 3.689 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001313958176 1071663015 /nfs/dbraw/zinc/66/30/15/1071663015.db2.gz VBOMLLPFSHRLLH-VXNXHJTFSA-N 1 0 482.717 3.828 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@H](C)CC(C)(C)C2)CC1 ZINC001313958018 1071662514 /nfs/dbraw/zinc/66/25/14/1071662514.db2.gz NDOAQGGNEXZADB-OAQYLSRUSA-N 1 0 484.689 3.862 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Br)s3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313957014 1071658822 /nfs/dbraw/zinc/65/88/22/1071658822.db2.gz AWURYRYILQVQHH-INIZCTEOSA-N 1 0 499.548 3.738 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CC[C@H](c3ccccc3OC)C2)CC1 ZINC001313957353 1071660073 /nfs/dbraw/zinc/66/00/73/1071660073.db2.gz TZRWSYNXJJTCGT-QFIPXVFZSA-N 1 0 468.690 3.897 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313957937 1071661810 /nfs/dbraw/zinc/66/18/10/1071661810.db2.gz SKKQYDTUBHQTDX-UFYCRDLUSA-N 1 0 460.617 3.513 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001313958318 1071663475 /nfs/dbraw/zinc/66/34/75/1071663475.db2.gz VVBXJSGAFSRDLV-IBGZPJMESA-N 1 0 485.677 3.683 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC2CCCC2)CC1 ZINC001313960035 1071668768 /nfs/dbraw/zinc/66/87/68/1071668768.db2.gz FBKYPWONRVBHEB-UHFFFAOYSA-N 1 0 478.483 3.690 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(OC)c3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313959750 1071667499 /nfs/dbraw/zinc/66/74/99/1071667499.db2.gz CECRENXYFHSGIF-DEOSSOPVSA-N 1 0 484.689 3.765 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(Br)c3)nnc2N2CCC=C(C)C2)CC1 ZINC001313961577 1071673446 /nfs/dbraw/zinc/67/34/46/1071673446.db2.gz VMTUJSLFLJJFDL-UHFFFAOYSA-N 1 0 473.463 3.892 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001313967416 1071689367 /nfs/dbraw/zinc/68/93/67/1071689367.db2.gz HFEVUYZCSXIRNE-UHFFFAOYSA-N 1 0 456.610 3.701 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001313970348 1071694624 /nfs/dbraw/zinc/69/46/24/1071694624.db2.gz CUHXRPYARSEIRH-UHFFFAOYSA-N 1 0 470.637 3.949 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001313974107 1071702488 /nfs/dbraw/zinc/70/24/88/1071702488.db2.gz PIYHVJAKNUQACQ-UHFFFAOYSA-N 1 0 479.673 3.823 20 0 JHADRO CCNC(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CCC1 ZINC001313975340 1071705432 /nfs/dbraw/zinc/70/54/32/1071705432.db2.gz PIMVGFXIMPFKGC-ROUUACIJSA-N 1 0 459.038 3.824 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC001313984932 1071722737 /nfs/dbraw/zinc/72/27/37/1071722737.db2.gz INVSNOLCCXGDNI-RTBURBONSA-N 1 0 466.655 3.647 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC001313984931 1071722797 /nfs/dbraw/zinc/72/27/97/1071722797.db2.gz INVSNOLCCXGDNI-RBUKOAKNSA-N 1 0 466.655 3.647 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+](C)[C@@H](C)CC)CC1 ZINC001313996174 1071732482 /nfs/dbraw/zinc/73/24/82/1071732482.db2.gz SFCRUMIZWSREQV-RBUKOAKNSA-N 1 0 492.068 3.653 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC001313995006 1071730811 /nfs/dbraw/zinc/73/08/11/1071730811.db2.gz LBXHWLRJUKTQCI-OFNKIYASSA-N 1 0 467.662 3.554 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+](CC)CC)CC1 ZINC001313995430 1071731647 /nfs/dbraw/zinc/73/16/47/1071731647.db2.gz YJCGLCQPSREIDG-UHFFFAOYSA-N 1 0 482.460 3.835 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C(C)C)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001314008453 1071744728 /nfs/dbraw/zinc/74/47/28/1071744728.db2.gz MQQZSNKMYLOKTL-FQEVSTJZSA-N 1 0 468.646 3.905 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001314009406 1071745730 /nfs/dbraw/zinc/74/57/30/1071745730.db2.gz SXTGFXYOTMPEAB-UHFFFAOYSA-N 1 0 456.635 3.765 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001314012569 1071748273 /nfs/dbraw/zinc/74/82/73/1071748273.db2.gz KPQJCNAKFDTJJL-FGZHOGPDSA-N 1 0 490.693 3.884 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001314012570 1071748282 /nfs/dbraw/zinc/74/82/82/1071748282.db2.gz KPQJCNAKFDTJJL-VXKWHMMOSA-N 1 0 490.693 3.884 20 0 JHADRO 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CCc1nn(C)c(Cl)c1CN1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001306048599 1068474446 /nfs/dbraw/zinc/47/44/46/1068474446.db2.gz VNJSIIFGOVQJHH-MOPGFXCFSA-N 1 0 477.101 3.547 20 0 JHADRO CCc1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001306069453 1068505207 /nfs/dbraw/zinc/50/52/07/1068505207.db2.gz VONSYOSHIMBDKW-MQSCRBSSSA-N 1 0 454.663 3.834 20 0 JHADRO CCc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001306074529 1068507486 /nfs/dbraw/zinc/50/74/86/1068507486.db2.gz KGPCONHHBACHDJ-PCCBWWKXSA-N 1 0 460.692 3.532 20 0 JHADRO CCc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306079302 1068509713 /nfs/dbraw/zinc/50/97/13/1068509713.db2.gz MIUHRROHXHWPSL-KDURUIRLSA-N 1 0 461.676 3.637 20 0 JHADRO CCc1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001306079476 1068510331 /nfs/dbraw/zinc/51/03/31/1068510331.db2.gz OCHBQCBNEQHBKI-XIFFEERXSA-N 1 0 473.687 3.638 20 0 JHADRO CCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@](C)(O)c1ccccc1Cl ZINC001306092769 1068516566 /nfs/dbraw/zinc/51/65/66/1068516566.db2.gz QCRIFNNQWPXVMT-UODBTFMRSA-N 1 0 486.064 3.654 20 0 JHADRO CCc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001306110040 1068521520 /nfs/dbraw/zinc/52/15/20/1068521520.db2.gz XLZAERMRQIWSJU-TZIWHRDSSA-N 1 0 462.683 3.948 20 0 JHADRO CCc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001306117036 1068524271 /nfs/dbraw/zinc/52/42/71/1068524271.db2.gz BAUDWQHGHYJZEF-JTHBVZDNSA-N 1 0 452.647 3.840 20 0 JHADRO CCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001306118777 1068526094 /nfs/dbraw/zinc/52/60/94/1068526094.db2.gz MWTHFKCTMJBHDI-UHFFFAOYSA-N 1 0 467.662 3.911 20 0 JHADRO CCc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001306142098 1068543435 /nfs/dbraw/zinc/54/34/35/1068543435.db2.gz MBKCLALDKAWIFG-NHCUHLMSSA-N 1 0 493.469 3.919 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001306142573 1068544371 /nfs/dbraw/zinc/54/43/71/1068544371.db2.gz VUYHFXNKDJIKOL-UHFFFAOYSA-N 1 0 466.655 3.741 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001306143226 1068545416 /nfs/dbraw/zinc/54/54/16/1068545416.db2.gz FPCAPHZBIMVQDQ-UHFFFAOYSA-N 1 0 468.646 3.782 20 0 JHADRO CCc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306145247 1068548527 /nfs/dbraw/zinc/54/85/27/1068548527.db2.gz BJHUFBFZSRIYGP-KDURUIRLSA-N 1 0 461.601 3.975 20 0 JHADRO CCc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001306155243 1068553631 /nfs/dbraw/zinc/55/36/31/1068553631.db2.gz YDWBWCBAMAMZND-QFIPXVFZSA-N 1 0 484.645 3.597 20 0 JHADRO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001306156537 1068554675 /nfs/dbraw/zinc/55/46/75/1068554675.db2.gz HSJIPUGWDJFRNJ-NRFANRHFSA-N 1 0 455.651 3.908 20 0 JHADRO CCc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001306164108 1068559146 /nfs/dbraw/zinc/55/91/46/1068559146.db2.gz FXUBDAAOUKIQNI-QFIPXVFZSA-N 1 0 488.721 3.502 20 0 JHADRO CCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001306164715 1068560024 /nfs/dbraw/zinc/56/00/24/1068560024.db2.gz APGYCRALXLCMAT-IRLDBZIGSA-N 1 0 486.661 3.988 20 0 JHADRO CCc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001306165333 1068560616 /nfs/dbraw/zinc/56/06/16/1068560616.db2.gz PLXYDRKODZDEMQ-GGAORHGYSA-N 1 0 452.647 3.607 20 0 JHADRO CCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001306165483 1068561091 /nfs/dbraw/zinc/56/10/91/1068561091.db2.gz BHAVWNSFTGWWLJ-OAQYLSRUSA-N 1 0 456.635 3.808 20 0 JHADRO CCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001306166769 1068562868 /nfs/dbraw/zinc/56/28/68/1068562868.db2.gz JXOCTFWFCPDYPF-SFHVURJKSA-N 1 0 451.541 3.821 20 0 JHADRO CCc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001306167267 1068563301 /nfs/dbraw/zinc/56/33/01/1068563301.db2.gz RGUOJYUHASGXRP-NRFANRHFSA-N 1 0 456.635 3.692 20 0 JHADRO CCc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001306171462 1068566304 /nfs/dbraw/zinc/56/63/04/1068566304.db2.gz TUDCIBYHXSETKD-FYYLOGMGSA-N 1 0 482.673 3.817 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001306178966 1068568677 /nfs/dbraw/zinc/56/86/77/1068568677.db2.gz HXVQPBOERNWRLW-PMACEKPBSA-N 1 0 473.065 3.967 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001306179371 1068569794 /nfs/dbraw/zinc/56/97/94/1068569794.db2.gz LLPPXUQOLYDMHZ-UHFFFAOYSA-N 1 0 473.065 3.968 20 0 JHADRO CCc1nnc(N2CCN(C(C)=O)C3(CCCCC3)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001306188239 1068580287 /nfs/dbraw/zinc/58/02/87/1068580287.db2.gz XESIYEOXACHYIW-UHFFFAOYSA-N 1 0 452.647 3.712 20 0 JHADRO CCc1nnc(N2CCN([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001306194847 1068585952 /nfs/dbraw/zinc/58/59/52/1068585952.db2.gz JADIGDCLZZUIFH-VXKWHMMOSA-N 1 0 454.663 3.853 20 0 JHADRO CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001306202571 1068592778 /nfs/dbraw/zinc/59/27/78/1068592778.db2.gz AZCXAQMDCQGLNJ-UHFFFAOYSA-N 1 0 482.721 3.556 20 0 JHADRO CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001306202645 1068592932 /nfs/dbraw/zinc/59/29/32/1068592932.db2.gz BXFJKXFIVSUGPX-UHFFFAOYSA-N 1 0 494.606 3.977 20 0 JHADRO CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC(CC)(CC)NC(=O)OC(C)(C)C ZINC001306202565 1068592957 /nfs/dbraw/zinc/59/29/57/1068592957.db2.gz AVNRMUKLXNKWJT-LJQANCHMSA-N 1 0 478.682 3.614 20 0 JHADRO CCc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1Cc1oc2ccccc2c1OC ZINC001306207528 1068598638 /nfs/dbraw/zinc/59/86/38/1068598638.db2.gz NDMNRUVPJUYXPZ-UHFFFAOYSA-N 1 0 481.519 3.735 20 0 JHADRO CCc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1CC1CCC(F)(F)CC1 ZINC001306208978 1068600613 /nfs/dbraw/zinc/60/06/13/1068600613.db2.gz KKMXZBATUWHMDS-UHFFFAOYSA-N 1 0 460.617 3.920 20 0 JHADRO CCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CC(C)(C)c1cccc(OC)c1 ZINC001306208972 1068600648 /nfs/dbraw/zinc/60/06/48/1068600648.db2.gz KJNGEVGZELKYES-VXKWHMMOSA-N 1 0 468.690 3.822 20 0 JHADRO CCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CC(C)(C)c1cccc(OC)c1 ZINC001306208968 1068600652 /nfs/dbraw/zinc/60/06/52/1068600652.db2.gz KJNGEVGZELKYES-FGZHOGPDSA-N 1 0 468.690 3.822 20 0 JHADRO CCc1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001306214277 1068602863 /nfs/dbraw/zinc/60/28/63/1068602863.db2.gz CQSSRHJUMHAAJU-BVAGGSTKSA-N 1 0 455.647 3.730 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001306215852 1068603402 /nfs/dbraw/zinc/60/34/02/1068603402.db2.gz USIYGQPUEJPCGL-IBGZPJMESA-N 1 0 450.052 3.899 20 0 JHADRO CCc1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001306217313 1068604685 /nfs/dbraw/zinc/60/46/85/1068604685.db2.gz BPFFOFJCASYZBG-LJQANCHMSA-N 1 0 450.052 3.899 20 0 JHADRO CCc1noc([C@H](C)N2CCN(c3nnc([C@H](C)CC)n3C[C@@H](c3ccsc3)[NH+](C)C)CC2)n1 ZINC001306229274 1068614467 /nfs/dbraw/zinc/61/44/67/1068614467.db2.gz KLXVVCMNITVOQA-HBFSDRIKSA-N 1 0 486.690 3.985 20 0 JHADRO CCc1noc([C@H](C)N2CCN(c3nnc(-c4ccccc4C)n3CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001306231551 1068619161 /nfs/dbraw/zinc/61/91/61/1068619161.db2.gz IHGUCGGALMDTDR-FQEVSTJZSA-N 1 0 480.661 3.670 20 0 JHADRO CCc1noc(C)c1Cn1c(COc2ccc(F)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001306238781 1068633121 /nfs/dbraw/zinc/63/31/21/1068633121.db2.gz NQFVDNIQVOVVKY-UHFFFAOYSA-N 1 0 456.566 3.870 20 0 JHADRO CCc1nsc(N2CCN(c3nnc(C(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)CC2)n1 ZINC001306240514 1068640096 /nfs/dbraw/zinc/64/00/96/1068640096.db2.gz FBXFXIGBMMNXHW-INIZCTEOSA-N 1 0 460.677 3.506 20 0 JHADRO CCc1nsc(N2CCN(c3nnc(C(C)C)n3CCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)n1 ZINC001306240544 1068640145 /nfs/dbraw/zinc/64/01/45/1068640145.db2.gz GGNATSLTYJQMLE-OALUTQOASA-N 1 0 460.696 3.510 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)[NH+](CC)CC ZINC001306244710 1068649312 /nfs/dbraw/zinc/64/93/12/1068649312.db2.gz CVFFHKQHXKBDND-KBXCAEBGSA-N 1 0 453.418 3.697 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001306245543 1068651697 /nfs/dbraw/zinc/65/16/97/1068651697.db2.gz IVRAEDYQQRISHM-YADHBBJMSA-N 1 0 452.647 3.832 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001306246137 1068653451 /nfs/dbraw/zinc/65/34/51/1068653451.db2.gz RGYZHVLPDFHLOK-TWOQFEAHSA-N 1 0 463.001 3.573 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001306246592 1068654016 /nfs/dbraw/zinc/65/40/16/1068654016.db2.gz VBGYCWNXYGYEBF-JXFKEZNVSA-N 1 0 477.028 3.963 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001306246810 1068654627 /nfs/dbraw/zinc/65/46/27/1068654627.db2.gz IUFJNPBJMWFTNN-FXAWDEMLSA-N 1 0 476.572 3.526 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001306248750 1068658929 /nfs/dbraw/zinc/65/89/29/1068658929.db2.gz ICWYSDRXJSCCSX-OALUTQOASA-N 1 0 459.019 3.678 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(CC2CCCC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001306253863 1068661638 /nfs/dbraw/zinc/66/16/38/1068661638.db2.gz GYINUYXJDZLUFK-UGKGYDQZSA-N 1 0 452.647 3.855 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001306256921 1068664002 /nfs/dbraw/zinc/66/40/02/1068664002.db2.gz IXYPZONZCYDQMG-LEWJYISDSA-N 1 0 482.654 3.553 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001306257736 1068665137 /nfs/dbraw/zinc/66/51/37/1068665137.db2.gz CKFDDDOIVODCBP-YUMYIRISSA-N 1 0 474.694 3.566 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)cc2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306259964 1068668823 /nfs/dbraw/zinc/66/88/23/1068668823.db2.gz IROYNTZUOTYWKY-ZDXQCDESSA-N 1 0 482.673 3.638 20 0 JHADRO CC[C@H]1[C@H](C)CCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001306260757 1068669924 /nfs/dbraw/zinc/66/99/24/1068669924.db2.gz QIBOEMOPMBENDB-OFNKIYASSA-N 1 0 468.646 3.564 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306261538 1068671842 /nfs/dbraw/zinc/67/18/42/1068671842.db2.gz RDAQOLIEZVKOLU-UWHLTILDSA-N 1 0 453.635 3.918 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001306262466 1068673906 /nfs/dbraw/zinc/67/39/06/1068673906.db2.gz XWMUMNDRDWSRSM-GMAHTHKFSA-N 1 0 482.673 3.744 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(OC)c2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001306262891 1068674558 /nfs/dbraw/zinc/67/45/58/1068674558.db2.gz DZRFSYNFMBWSGG-ZJSXRUAMSA-N 1 0 454.663 3.996 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001306263129 1068675135 /nfs/dbraw/zinc/67/51/35/1068675135.db2.gz WFCLOKQCKJITRB-IRMYBRCSSA-N 1 0 488.702 3.659 20 0 JHADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001306263370 1068675831 /nfs/dbraw/zinc/67/58/31/1068675831.db2.gz WXBZJQWSLPDSLN-ZLGUVYLKSA-N 1 0 459.038 3.827 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001306264115 1068677058 /nfs/dbraw/zinc/67/70/58/1068677058.db2.gz JTPRYKBBPSATOT-SFHLNBCPSA-N 1 0 487.645 3.564 20 0 JHADRO CC[C@H]1[C@@H](C)CCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[N@H+](C)C(C)C ZINC001306266771 1068681473 /nfs/dbraw/zinc/68/14/73/1068681473.db2.gz NHAJNIDQZHEJQW-ICSRJNTNSA-N 1 0 461.680 3.593 20 0 JHADRO CC[C@@H]1c2ccsc2CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001306276332 1068690477 /nfs/dbraw/zinc/69/04/77/1068690477.db2.gz DHFWHIBOBIEAKZ-SXLOBPIMSA-N 1 0 494.731 3.584 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CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCS1 ZINC001306456839 1068983448 /nfs/dbraw/zinc/98/34/48/1068983448.db2.gz CMLUCYJGFUHQII-NHCUHLMSSA-N 1 0 489.686 3.554 20 0 JHADRO CC[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cnn(C)c2)CC[N@@H+]1CCOC ZINC001306456974 1068984427 /nfs/dbraw/zinc/98/44/27/1068984427.db2.gz JWJONNPOINAADZ-HXUWFJFHSA-N 1 0 490.077 3.553 20 0 JHADRO COc1ccc([C@H](CNC(=O)Nc2ccccc2CN2CCNC2=O)[NH+]2CCCCC2)cc1 ZINC001310503290 1068986854 /nfs/dbraw/zinc/98/68/54/1068986854.db2.gz FEYIZEKFMZVZGV-QHCPKHFHSA-N 1 0 451.571 3.569 20 0 JHADRO CC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2sc(C)nc2C)CC[N@@H+]1CCOC ZINC001306457989 1068988038 /nfs/dbraw/zinc/98/80/38/1068988038.db2.gz LAYHGHDGJZVDKE-FQEVSTJZSA-N 1 0 488.633 3.665 20 0 JHADRO CC[C@@H]1CN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001306458076 1068988728 /nfs/dbraw/zinc/98/87/28/1068988728.db2.gz UOZLDONPRAHTME-WOJBJXKFSA-N 1 0 459.660 3.926 20 0 JHADRO CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)CCS1 ZINC001306458713 1068991417 /nfs/dbraw/zinc/99/14/17/1068991417.db2.gz QPSSOUGGEQIPIM-LEWJYISDSA-N 1 0 490.693 3.602 20 0 JHADRO O=C(COc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)Nc1cccnc1 ZINC001310513361 1068994259 /nfs/dbraw/zinc/99/42/59/1068994259.db2.gz OTJZYXSZFKOTJH-UHFFFAOYSA-N 1 0 459.550 3.839 20 0 JHADRO CC/C=C\Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001306461121 1068996069 /nfs/dbraw/zinc/99/60/69/1068996069.db2.gz FFLSPYSEPRAQCW-BOECQMNCSA-N 1 0 482.673 3.923 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(C)(F)F)c2)CC[N@@H+]1CCOC ZINC001306464636 1069001195 /nfs/dbraw/zinc/00/11/95/1069001195.db2.gz MYBGYGSFZZWDFD-NHCUHLMSSA-N 1 0 463.573 3.837 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC001306467796 1069008527 /nfs/dbraw/zinc/00/85/27/1069008527.db2.gz QWUAQCTZMSSRLC-QRENLGSJSA-N 1 0 471.646 3.526 20 0 JHADRO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1CCOC ZINC001306468304 1069009381 /nfs/dbraw/zinc/00/93/81/1069009381.db2.gz XLSOPVCVZQCHHW-VQTJNVASSA-N 1 0 467.536 3.744 20 0 JHADRO CCc1c(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001310555168 1069014303 /nfs/dbraw/zinc/01/43/03/1069014303.db2.gz YPSZIYWYEYZQIM-VQTJNVASSA-N 1 0 451.493 3.516 20 0 JHADRO Cc1cc(N2CC[C@@H](NC(=O)Nc3ccccc3CC[NH+](C)C)C2=O)ccc1Br ZINC001310577627 1069027668 /nfs/dbraw/zinc/02/76/68/1069027668.db2.gz DEAPCCUZDZNJGJ-HXUWFJFHSA-N 1 0 459.388 3.789 20 0 JHADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)CC1 ZINC001310579452 1069028203 /nfs/dbraw/zinc/02/82/03/1069028203.db2.gz BCRIBQZYCKMBQG-RBUKOAKNSA-N 1 0 454.537 3.536 20 0 JHADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2cc(OC)c(OC)cc2Br)cc1 ZINC001306491782 1069030401 /nfs/dbraw/zinc/03/04/01/1069030401.db2.gz XWNVGZGPZNOBGA-FQEVSTJZSA-N 1 0 451.361 3.830 20 0 JHADRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]4CCC[C@@]4(NC(=O)OC(C)(C)C)C3)c2)CC1 ZINC001310596994 1069040473 /nfs/dbraw/zinc/04/04/73/1069040473.db2.gz PIGCMYBVVLLLAH-UQBPGWFLSA-N 1 0 457.619 3.740 20 0 JHADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC4(C3)CCCN(C(=O)OC(C)(C)C)C4)c2)CC1 ZINC001310597958 1069041165 /nfs/dbraw/zinc/04/11/65/1069041165.db2.gz UWCLNAHPJATLOF-UHFFFAOYSA-N 1 0 457.619 3.693 20 0 JHADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@]34CCN(C(=O)OC(C)(C)C)C4)c2)CC1 ZINC001310598320 1069042053 /nfs/dbraw/zinc/04/20/53/1069042053.db2.gz YDMFTMDUKHQIBY-RUZDIDTESA-N 1 0 457.619 3.836 20 0 JHADRO CC[NH+]1CCN(c2cccc(NC(=O)N(Cc3ccc(OC)cc3)[C@H](CO)C(C)C)c2)CC1 ZINC001310598074 1069042287 /nfs/dbraw/zinc/04/22/87/1069042287.db2.gz VQWGBOSZSYYPOU-RUZDIDTESA-N 1 0 454.615 3.888 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001306496631 1069043158 /nfs/dbraw/zinc/04/31/58/1069043158.db2.gz APHCPXQLUIURJS-FQEVSTJZSA-N 1 0 456.635 3.996 20 0 JHADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)CC1 ZINC001310600062 1069044419 /nfs/dbraw/zinc/04/44/19/1069044419.db2.gz FLZDBYUUUMLFDP-LJQANCHMSA-N 1 0 453.027 3.826 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001306497847 1069047790 /nfs/dbraw/zinc/04/77/90/1069047790.db2.gz YIIZDFQSCOFNLZ-PKTZIBPZSA-N 1 0 452.647 3.951 20 0 JHADRO COc1cccc(Cn2nccc2NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1OC ZINC001310607245 1069049886 /nfs/dbraw/zinc/04/98/86/1069049886.db2.gz VADWPEKOTBVUHI-HXUWFJFHSA-N 1 0 455.603 3.924 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001306501642 1069066294 /nfs/dbraw/zinc/06/62/94/1069066294.db2.gz GSYQBFGIVHVGNB-VWNXMTODSA-N 1 0 493.631 3.976 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001306502205 1069068595 /nfs/dbraw/zinc/06/85/95/1069068595.db2.gz ZPTVLILAQCIBMJ-NRFANRHFSA-N 1 0 492.672 3.808 20 0 JHADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)C1 ZINC001310627553 1069069102 /nfs/dbraw/zinc/06/91/02/1069069102.db2.gz QHMVUUAUZNVWNN-IBGZPJMESA-N 1 0 456.635 3.501 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(C3CCC3)n2Cc2cccc(C[N@H+](C)CC)c2)C1 ZINC001306502517 1069070371 /nfs/dbraw/zinc/07/03/71/1069070371.db2.gz LDIIRNVEXYGYCJ-HSZRJFAPSA-N 1 0 452.647 3.931 20 0 JHADRO CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001310631012 1069071492 /nfs/dbraw/zinc/07/14/92/1069071492.db2.gz DSBOJWGCQCFEIZ-OAQYLSRUSA-N 1 0 458.628 3.812 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001306505666 1069083537 /nfs/dbraw/zinc/08/35/37/1069083537.db2.gz HCZSQAXROMHZJM-TZIWHRDSSA-N 1 0 487.718 3.783 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001306505663 1069083594 /nfs/dbraw/zinc/08/35/94/1069083594.db2.gz HCZSQAXROMHZJM-CTNGQTDRSA-N 1 0 487.718 3.783 20 0 JHADRO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(O[C@@H]4CCN(C)C4=O)cc3C)CC2)cc1 ZINC001310648667 1069083918 /nfs/dbraw/zinc/08/39/18/1069083918.db2.gz GKXUQYHKUKDGBU-XMMPIXPASA-N 1 0 450.583 3.653 20 0 JHADRO CCn1ncc(NC(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1C(F)(F)F ZINC001310654883 1069088538 /nfs/dbraw/zinc/08/85/38/1069088538.db2.gz IDDGKKJXEJETJH-UHFFFAOYSA-N 1 0 452.525 3.954 20 0 JHADRO CCOC(=O)c1nc(NC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)sc1C(C)=O ZINC001310655319 1069088557 /nfs/dbraw/zinc/08/85/57/1069088557.db2.gz CIXMLDXRFKHVNL-MAUKXSAKSA-N 1 0 458.584 3.945 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001306507010 1069089910 /nfs/dbraw/zinc/08/99/10/1069089910.db2.gz OTZLSTLXDPJWLA-QFIPXVFZSA-N 1 0 467.662 3.673 20 0 JHADRO CCOC(=O)c1nc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)sc1C(C)=O ZINC001310656769 1069091226 /nfs/dbraw/zinc/09/12/26/1069091226.db2.gz HWJNMQHMXIHJAI-UHFFFAOYSA-N 1 0 458.584 3.898 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001306509747 1069099641 /nfs/dbraw/zinc/09/96/41/1069099641.db2.gz PGUJYPUVKJVICL-JOCHJYFZSA-N 1 0 498.672 3.578 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001306510517 1069101906 /nfs/dbraw/zinc/10/19/06/1069101906.db2.gz YDRZKALSXCIHGU-UHFFFAOYSA-N 1 0 477.078 3.532 20 0 JHADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc(Br)cc2OC(F)(F)F)CCO1 ZINC001310674350 1069102552 /nfs/dbraw/zinc/10/25/52/1069102552.db2.gz DGORCOYBGSRCKS-CYBMUJFWSA-N 1 0 454.287 3.922 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001306510984 1069103679 /nfs/dbraw/zinc/10/36/79/1069103679.db2.gz ZNHDTMUHMRTEEI-GOSISDBHSA-N 1 0 490.599 3.916 20 0 JHADRO COc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(I)c1 ZINC001310688666 1069112767 /nfs/dbraw/zinc/11/27/67/1069112767.db2.gz KJNQZVRRNVFAKM-INIZCTEOSA-N 1 0 455.296 3.851 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001306515280 1069117408 /nfs/dbraw/zinc/11/74/08/1069117408.db2.gz DOZQFAOSLXTFLA-DENIHFKCSA-N 1 0 483.686 3.781 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306515366 1069117424 /nfs/dbraw/zinc/11/74/24/1069117424.db2.gz CKVRSTBYKVCJGB-FQEVSTJZSA-N 1 0 498.720 3.535 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001306515285 1069117483 /nfs/dbraw/zinc/11/74/83/1069117483.db2.gz DOZQFAOSLXTFLA-UGKGYDQZSA-N 1 0 483.686 3.781 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306515698 1069119492 /nfs/dbraw/zinc/11/94/92/1069119492.db2.gz SGVJHSVFVJCSRB-IFMALSPDSA-N 1 0 460.667 3.527 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@H](C)[NH+](C)C)C1 ZINC001306517753 1069129173 /nfs/dbraw/zinc/12/91/73/1069129173.db2.gz BPVFWDVPGRMBEL-OALUTQOASA-N 1 0 451.619 3.509 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001306518554 1069133808 /nfs/dbraw/zinc/13/38/08/1069133808.db2.gz DUTUJPKZORQASI-GMAHTHKFSA-N 1 0 474.694 3.917 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001306519136 1069136183 /nfs/dbraw/zinc/13/61/83/1069136183.db2.gz WJMIMFKUMUUXEV-GMAHTHKFSA-N 1 0 467.662 3.593 20 0 JHADRO COC(=O)Cc1sc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)nc1-c1ccccc1 ZINC001310732966 1069141462 /nfs/dbraw/zinc/14/14/62/1069141462.db2.gz TUVHZTMRFVDUSZ-UHFFFAOYSA-N 1 0 450.564 3.705 20 0 JHADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC001310745045 1069147587 /nfs/dbraw/zinc/14/75/87/1069147587.db2.gz DTJZJKATIVZSJJ-FQEVSTJZSA-N 1 0 456.974 3.736 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306527083 1069157220 /nfs/dbraw/zinc/15/72/20/1069157220.db2.gz CZVLEUWTWCXGGW-RDGATRHJSA-N 1 0 475.081 3.754 20 0 JHADRO O=C(Nc1cc(Cl)ccc1I)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001310777377 1069157988 /nfs/dbraw/zinc/15/79/88/1069157988.db2.gz YJRYBSAQEFMWPP-JSGCOSHPSA-N 1 0 451.761 3.646 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001306528700 1069163293 /nfs/dbraw/zinc/16/32/93/1069163293.db2.gz HDRDURUZMPMLSN-QHCPKHFHSA-N 1 0 475.062 3.971 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001306531689 1069172253 /nfs/dbraw/zinc/17/22/53/1069172253.db2.gz UGOYRENKYJWCGS-RUZDIDTESA-N 1 0 457.619 3.578 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306531909 1069173035 /nfs/dbraw/zinc/17/30/35/1069173035.db2.gz WSHDZDNTPYNHKB-RPLLCQBOSA-N 1 0 468.690 3.663 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001306531984 1069173049 /nfs/dbraw/zinc/17/30/49/1069173049.db2.gz KSNZIFSPBSNNNT-WCYRKSIYSA-N 1 0 468.690 3.799 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001306532890 1069175389 /nfs/dbraw/zinc/17/53/89/1069175389.db2.gz RKBSBFWTWOFXCD-XMMPIXPASA-N 1 0 472.037 3.595 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306533950 1069176819 /nfs/dbraw/zinc/17/68/19/1069176819.db2.gz XJNRDBJCPZEUSW-CJFMBICVSA-N 1 0 475.081 3.754 20 0 JHADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC001310829598 1069181864 /nfs/dbraw/zinc/18/18/64/1069181864.db2.gz MKBLRMALANUXBT-UHFFFAOYSA-N 1 0 458.553 3.806 20 0 JHADRO CCOc1cc(Br)c(F)cc1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001310834104 1069184944 /nfs/dbraw/zinc/18/49/44/1069184944.db2.gz YTLXHZTXZBJZQQ-UHFFFAOYSA-N 1 0 457.388 3.667 20 0 JHADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc2c(Br)cccc2cn1 ZINC001306539394 1069186657 /nfs/dbraw/zinc/18/66/57/1069186657.db2.gz HKTLPKKRBUBRLI-UHFFFAOYSA-N 1 0 454.368 3.884 20 0 JHADRO CCC[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001306540335 1069188089 /nfs/dbraw/zinc/18/80/89/1069188089.db2.gz BKXQKELNUWAZEK-QHCPKHFHSA-N 1 0 474.700 3.611 20 0 JHADRO COc1ccc(NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1S(C)(=O)=O ZINC001310879472 1069206483 /nfs/dbraw/zinc/20/64/83/1069206483.db2.gz HFYWAWXFBKFZCC-SESVDKBCSA-N 1 0 457.596 3.521 20 0 JHADRO CCS(=O)(=O)Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC001310884445 1069208890 /nfs/dbraw/zinc/20/88/90/1069208890.db2.gz IGUACGMGTQEODV-UHFFFAOYSA-N 1 0 459.612 3.664 20 0 JHADRO CCS(=O)(=O)Cc1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 ZINC001310884751 1069208903 /nfs/dbraw/zinc/20/89/03/1069208903.db2.gz KAXFPLYACGIQNL-WOJBJXKFSA-N 1 0 469.529 3.806 20 0 JHADRO CC1(C)CCc2nc(NC(=O)NCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)sc2C1 ZINC001310890733 1069211663 /nfs/dbraw/zinc/21/16/63/1069211663.db2.gz RWNCICYWAKNVNK-SFHVURJKSA-N 1 0 455.628 3.677 20 0 JHADRO COC(=O)[C@H]1CCc2sc(NC(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)nc2C1 ZINC001310902090 1069215389 /nfs/dbraw/zinc/21/53/89/1069215389.db2.gz CSPOFHIXVXFKKQ-HNNXBMFYSA-N 1 0 450.992 3.670 20 0 JHADRO COC(=O)[C@@H]1CCc2sc(NC(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)nc2C1 ZINC001310905052 1069217625 /nfs/dbraw/zinc/21/76/25/1069217625.db2.gz STSIZFPHUDMIJS-RBUKOAKNSA-N 1 0 456.612 3.845 20 0 JHADRO C[C@@H]1C[NH+](CCCNC(=O)Nc2cnc(-c3ccc(Br)s3)nc2)C[C@@H](C)O1 ZINC001310919155 1069221369 /nfs/dbraw/zinc/22/13/69/1069221369.db2.gz IJNMOHVGDNWLSS-CHWSQXEVSA-N 1 0 454.394 3.588 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)CC1 ZINC001310929686 1069225427 /nfs/dbraw/zinc/22/54/27/1069225427.db2.gz KXNGPWIJUBDNES-IQGLISFBSA-N 1 0 455.603 3.592 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001306558894 1069228746 /nfs/dbraw/zinc/22/87/46/1069228746.db2.gz IUUFALXEQBQNOH-RBBKRZOGSA-N 1 0 471.646 3.946 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)[C@@H](C)C1 ZINC001306559563 1069229991 /nfs/dbraw/zinc/22/99/91/1069229991.db2.gz CTIQRAPORYRWCW-RDPSFJRHSA-N 1 0 450.583 3.780 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001306560292 1069230679 /nfs/dbraw/zinc/23/06/79/1069230679.db2.gz AEGIBZGHCLIZIS-FDDCHVKYSA-N 1 0 493.747 3.548 20 0 JHADRO Cc1cc(Br)c(Cl)cc1NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC001310979051 1069238631 /nfs/dbraw/zinc/23/86/31/1069238631.db2.gz SZPIRIUDNPTYFU-UHFFFAOYSA-N 1 0 452.784 3.879 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001306573732 1069240495 /nfs/dbraw/zinc/24/04/95/1069240495.db2.gz VSAVXBGJANCXPC-FQEVSTJZSA-N 1 0 450.631 3.913 20 0 JHADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001306583919 1069248963 /nfs/dbraw/zinc/24/89/63/1069248963.db2.gz DOYHJNKFKRUCOU-CWBXHPNXSA-N 1 0 474.694 3.915 20 0 JHADRO CNC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC001311018913 1069249547 /nfs/dbraw/zinc/24/95/47/1069249547.db2.gz RPVMVHICARWXCS-UHFFFAOYSA-N 1 0 452.477 3.669 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001306586964 1069254388 /nfs/dbraw/zinc/25/43/88/1069254388.db2.gz SYEYTYKWDCYCRW-BHDDXSALSA-N 1 0 474.694 3.915 20 0 JHADRO COC(=O)C(C)(C)n1cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cn1 ZINC001311042517 1069256062 /nfs/dbraw/zinc/25/60/62/1069256062.db2.gz OWQIYFXVOCWOEH-XZOQPEGZSA-N 1 0 479.556 3.720 20 0 JHADRO CCC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001306593195 1069263532 /nfs/dbraw/zinc/26/35/32/1069263532.db2.gz WVPKWRMMNZKEDX-ISKFKSNPSA-N 1 0 455.647 3.541 20 0 JHADRO C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)NCCc3ccc(OCC[NH+]4CCCC4)cc3)cc21 ZINC001311067052 1069263878 /nfs/dbraw/zinc/26/38/78/1069263878.db2.gz YNOWBGLFJDGBRH-LJQANCHMSA-N 1 0 450.583 3.995 20 0 JHADRO C[NH+]1CCC(n2cc(NC(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cn2)CC1 ZINC001311100111 1069273697 /nfs/dbraw/zinc/27/36/97/1069273697.db2.gz VFYKQMINTQELRJ-UHFFFAOYSA-N 1 0 450.509 3.518 20 0 JHADRO CCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC001306600885 1069276612 /nfs/dbraw/zinc/27/66/12/1069276612.db2.gz WNZTXYBWLGLUEP-NHCUHLMSSA-N 1 0 488.702 3.569 20 0 JHADRO COC(=O)c1c(C)sc(C)c1NC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC001311148878 1069284149 /nfs/dbraw/zinc/28/41/49/1069284149.db2.gz VLOYLRJWOGPTJU-UHFFFAOYSA-N 1 0 458.584 3.896 20 0 JHADRO CCCc1nc(C)c(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)o1 ZINC001306610566 1069287506 /nfs/dbraw/zinc/28/75/06/1069287506.db2.gz YVIRGCWPWPBNBP-OAQYLSRUSA-N 1 0 452.603 3.554 20 0 JHADRO CCC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(OCC(F)(F)F)nc2)CC[N@@H+]1CCOC ZINC001306615794 1069296635 /nfs/dbraw/zinc/29/66/35/1069296635.db2.gz CLONKLFQILQKQD-IBGZPJMESA-N 1 0 498.594 3.897 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cccn(CC)c2=O)CC[N@@H+]1CCOC ZINC001306620506 1069306536 /nfs/dbraw/zinc/30/65/36/1069306536.db2.gz PKFLRWKXKXDAQE-HSZRJFAPSA-N 1 0 499.059 3.766 20 0 JHADRO COC(=O)Cn1ncc2ccc(NC(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)cc21 ZINC001311249514 1069307994 /nfs/dbraw/zinc/30/79/94/1069307994.db2.gz PEPOJYWTCGLDEV-FQEVSTJZSA-N 1 0 455.584 3.866 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2nnc(C(C)(C)C)s2)CC[N@@H+]1CCOC ZINC001306621295 1069309755 /nfs/dbraw/zinc/30/97/55/1069309755.db2.gz XRRRBFCJSLDHBP-GOSISDBHSA-N 1 0 487.674 3.981 20 0 JHADRO O=C1CN(C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)CC2(CC[NH2+]CC2)N1 ZINC001164393213 718810047 /nfs/dbraw/zinc/81/00/47/718810047.db2.gz RLKMZSJRFYESKM-UHFFFAOYSA-N 1 0 457.912 3.554 20 0 JHADRO [NH3+]CC1(F)CCN(C(F)(F)c2nc(Cl)ncc2C(=O)OCc2ccc(Cl)cc2)CC1 ZINC001164392692 718813033 /nfs/dbraw/zinc/81/30/33/718813033.db2.gz NWAGLNKFVWDZBP-UHFFFAOYSA-N 1 0 463.287 3.953 20 0 JHADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164401740 718863148 /nfs/dbraw/zinc/86/31/48/718863148.db2.gz HTLUAQSKTDTZPP-YOEHRIQHSA-N 1 0 487.334 3.500 20 0 JHADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001164406432 718863454 /nfs/dbraw/zinc/86/34/54/718863454.db2.gz GQYSIELEPQRHFZ-QAPCUYQASA-N 1 0 451.901 3.548 20 0 JHADRO O=C(c1cccnc1N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2)N1CCN(Cc2ccccc2)CC1 ZINC001164414819 718880992 /nfs/dbraw/zinc/88/09/92/718880992.db2.gz XNUPZFTTWXJACV-JOCHJYFZSA-N 1 0 487.570 3.693 20 0 JHADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164434847 718970532 /nfs/dbraw/zinc/97/05/32/718970532.db2.gz WGDBJRBPOBPZLK-MOPGFXCFSA-N 1 0 490.860 3.863 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC2)CC1 ZINC001164616337 719030883 /nfs/dbraw/zinc/03/08/83/719030883.db2.gz AZYNOMHKHXMGHO-UHFFFAOYSA-N 1 0 451.345 3.658 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C(=O)OCc4ccccc4)cn3)CC2)CC1 ZINC001164618099 719032696 /nfs/dbraw/zinc/03/26/96/719032696.db2.gz RWPLGXNJXRSFGZ-UHFFFAOYSA-N 1 0 451.567 3.683 20 0 JHADRO CCOC(=O)[C@@]12C[C@@H]1CCN2c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001164619315 719041121 /nfs/dbraw/zinc/04/11/21/719041121.db2.gz CMRUVGACTGIODE-HFJWLAOPSA-N 1 0 481.980 3.929 20 0 JHADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164624770 719045615 /nfs/dbraw/zinc/04/56/15/719045615.db2.gz OWSKSSACKCGADV-XMSQKQJNSA-N 1 0 462.928 3.825 20 0 JHADRO COCCOc1cc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2cc1OCCOC ZINC001164625147 719063029 /nfs/dbraw/zinc/06/30/29/719063029.db2.gz MWWASNUHSLCTJM-DHLKQENFSA-N 1 0 492.620 3.781 20 0 JHADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCc3ccccc3)C[C@@H]2CF)CC1 ZINC001164629317 719115684 /nfs/dbraw/zinc/11/56/84/719115684.db2.gz RWCNFMXNDSVWTB-GOEBONIOSA-N 1 0 454.880 3.545 20 0 JHADRO CC(C)N(C)Cc1nn(-c2nc(Cl)c(F)cc2C(=O)NCc2cccs2)c2c1CC[NH2+]C2 ZINC001164683499 719628998 /nfs/dbraw/zinc/62/89/98/719628998.db2.gz SOZGZCVCXHDTQL-UHFFFAOYSA-N 1 0 477.009 3.537 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cc(Cl)ncn3)CC2)c2ccccc21 ZINC001164679937 719655265 /nfs/dbraw/zinc/65/52/65/719655265.db2.gz ANXUFCJKFOWXTO-QGZVFWFLSA-N 1 0 477.987 3.768 20 0 JHADRO Cc1nc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164680700 719655656 /nfs/dbraw/zinc/65/56/56/719655656.db2.gz HXBIWDQEOFHOIJ-LJQANCHMSA-N 1 0 456.034 3.840 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nnc(Cl)cc3Cl)CC2)c2ccccc21 ZINC001164685223 719658163 /nfs/dbraw/zinc/65/81/63/719658163.db2.gz YOGORKHRFNERFC-INIZCTEOSA-N 1 0 462.425 3.877 20 0 JHADRO COc1ccc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164680681 719661437 /nfs/dbraw/zinc/66/14/37/719661437.db2.gz HJRQSYQPCHYZGI-HXUWFJFHSA-N 1 0 473.621 3.732 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)cnc3Cl)CC2)c2ccccc21 ZINC001164680831 719667283 /nfs/dbraw/zinc/66/72/83/719667283.db2.gz HVFNCLAGOTXLHO-MRXNPFEDSA-N 1 0 462.425 3.877 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN([C@H](F)Oc3ccc(Cl)nc3)CC2)c2ccccc21 ZINC001164680761 719669350 /nfs/dbraw/zinc/66/93/50/719669350.db2.gz HIWLLQPMVZRURZ-KOSHJBKYSA-N 1 0 475.008 3.956 20 0 JHADRO CSc1cnc(Cl)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681904 719670003 /nfs/dbraw/zinc/67/00/03/719670003.db2.gz OCUCEOGLHPGVDW-KRWDZBQOSA-N 1 0 474.074 3.945 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4cccc(F)c43)CC2)c2ccccc21 ZINC001164681478 719671310 /nfs/dbraw/zinc/67/13/10/719671310.db2.gz LKZRLCPYBHUGAQ-IBGZPJMESA-N 1 0 461.585 3.862 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cc(N)cc(Cl)n3)CC2)c2ccccc21 ZINC001164681081 719672439 /nfs/dbraw/zinc/67/24/39/719672439.db2.gz JIIFTYNSWNZTDD-QGZVFWFLSA-N 1 0 492.014 3.956 20 0 JHADRO CCOC(=O)c1c(C)ccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164687128 719674416 /nfs/dbraw/zinc/67/44/16/719674416.db2.gz ZPKUMEJIAXRXJM-NRFANRHFSA-N 1 0 478.637 3.660 20 0 JHADRO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681093 719675175 /nfs/dbraw/zinc/67/51/75/719675175.db2.gz JMPBHYAVOVIAAX-AXKWSIDASA-N 1 0 490.648 3.670 20 0 JHADRO Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(-c2ccncc2)n1 ZINC001164686837 719676275 /nfs/dbraw/zinc/67/62/75/719676275.db2.gz XJIJWPCHAPSHRR-QHCPKHFHSA-N 1 0 484.648 3.940 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(-c4ccco4)nn3)CC2)c2ccccc21 ZINC001164685770 719679311 /nfs/dbraw/zinc/67/93/11/719679311.db2.gz VXMVNKYPFURDFZ-FQEVSTJZSA-N 1 0 459.594 3.830 20 0 JHADRO CC(C)OC(=O)c1cccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164687770 719681268 /nfs/dbraw/zinc/68/12/68/719681268.db2.gz VEXFZBXTFJSANA-NRFANRHFSA-N 1 0 478.637 3.740 20 0 JHADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4CN(Cc4ccccc4)CC5)CC3)C2)c1 ZINC001164695011 719888502 /nfs/dbraw/zinc/88/85/02/719888502.db2.gz JEGLSCOBKQFFLV-UHFFFAOYSA-N 1 0 475.662 3.968 20 0 JHADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697738 719897527 /nfs/dbraw/zinc/89/75/27/719897527.db2.gz OXIMGUFDDIKCJY-UHFFFAOYSA-N 1 0 471.957 3.999 20 0 JHADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC3)C2)c1 ZINC001164705342 719898393 /nfs/dbraw/zinc/89/83/93/719898393.db2.gz AJFVZNWEQDBTLF-UHFFFAOYSA-N 1 0 464.591 3.848 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(C)cc(Cl)n1)CC2 ZINC001164709658 720096478 /nfs/dbraw/zinc/09/64/78/720096478.db2.gz BZEPSOMWHWUNID-SFHVURJKSA-N 1 0 451.949 3.886 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164712116 720098546 /nfs/dbraw/zinc/09/85/46/720098546.db2.gz VONCDRIFMCUPLO-QHCPKHFHSA-N 1 0 463.626 3.610 20 0 JHADRO CCOC(=O)c1cc2cccnc2nc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164719603 720116917 /nfs/dbraw/zinc/11/69/17/720116917.db2.gz ZKSXCKHYJYQPSY-JOCHJYFZSA-N 1 0 475.593 3.709 20 0 JHADRO CCOC(=O)/C=C\c1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713563 720128621 /nfs/dbraw/zinc/12/86/21/720128621.db2.gz RZDPOOJEHWVDNH-MLJJGGTESA-N 1 0 450.583 3.560 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)NCCSCc1ccco1)C2 ZINC001164807049 720140443 /nfs/dbraw/zinc/14/04/43/720140443.db2.gz AWJOJOJSYQZQLI-LVXARBLLSA-N 1 0 484.666 3.523 20 0 JHADRO Cn1nnc2c1CCN(c1ncnc3scc(-c4ccccc4)c31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716581 720174181 /nfs/dbraw/zinc/17/41/81/720174181.db2.gz ICDRKQJSRZQXQZ-OAQYLSRUSA-N 1 0 475.622 3.703 20 0 JHADRO Cn1nnc2c1CCN(c1nc(Cl)ccc1-c1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715881 720180700 /nfs/dbraw/zinc/18/07/00/720180700.db2.gz CVJCOUPEHUYVHN-OAQYLSRUSA-N 1 0 452.990 3.747 20 0 JHADRO Cn1nnc2c1CCN(C(F)(F)c1cccc3ccnc(Cl)c31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718209 720187444 /nfs/dbraw/zinc/18/74/44/720187444.db2.gz NIAHBLOQCMMJBB-LJQANCHMSA-N 1 0 476.959 3.778 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164811796 720199990 /nfs/dbraw/zinc/19/99/90/720199990.db2.gz KCWZQVTUNIYQCL-OXQOHEQNSA-N 1 0 458.937 3.557 20 0 JHADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164717823 720205106 /nfs/dbraw/zinc/20/51/06/720205106.db2.gz IZXDNWAEITWCFU-HXUWFJFHSA-N 1 0 484.004 3.575 20 0 JHADRO Cc1cccc(Oc2nc(Cl)ncc2N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1 ZINC001164717234 720205247 /nfs/dbraw/zinc/20/52/47/720205247.db2.gz GYKQIAHTWCQIKD-NRFANRHFSA-N 1 0 484.004 3.575 20 0 JHADRO Cn1nnc2c1CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718411 720207549 /nfs/dbraw/zinc/20/75/49/720207549.db2.gz LEHMTNHEGZFBQO-OAQYLSRUSA-N 1 0 495.018 3.894 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)CCC2 ZINC001164812682 720236303 /nfs/dbraw/zinc/23/63/03/720236303.db2.gz HMXPLLHMHQRROW-UHFFFAOYSA-N 1 0 481.000 3.795 20 0 JHADRO COc1ccc(Cc2c(C)nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nc2C)cc1 ZINC001164816015 720244533 /nfs/dbraw/zinc/24/45/33/720244533.db2.gz FGCYTIVQZQUQKN-UHFFFAOYSA-N 1 0 476.625 3.500 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccnc(CSc3ccccc3)n1)CCC2 ZINC001164817945 720245800 /nfs/dbraw/zinc/24/58/00/720245800.db2.gz UXCUANSPMYNBEE-UHFFFAOYSA-N 1 0 450.612 3.576 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3c(Cl)ncnc3c2)CC1 ZINC001164827343 720302193 /nfs/dbraw/zinc/30/21/93/720302193.db2.gz XAJTYIZHWKSDSZ-VQTJNVASSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3ncc(Cl)nc3c2)CC1 ZINC001164818924 720303690 /nfs/dbraw/zinc/30/36/90/720303690.db2.gz BSFLUOJJZJHOOT-PMACEKPBSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2ccn3Cc2ccc(F)cc2)CC1 ZINC001164827796 720322826 /nfs/dbraw/zinc/32/28/26/720322826.db2.gz ISBLVXCFTFWCEJ-BJKOFHAPSA-N 1 0 476.600 3.530 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc([Si](C)(C)C)c(Cl)n2)CC1 ZINC001164830282 720329608 /nfs/dbraw/zinc/32/96/08/720329608.db2.gz PNEWVELHQUSMNO-MSOLQXFVSA-N 1 0 485.095 3.737 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3ccccc3nc2N2CCCCC2)CC1 ZINC001164830810 720336514 /nfs/dbraw/zinc/33/65/14/720336514.db2.gz QAYMOPKKFSADNY-BJKOFHAPSA-N 1 0 462.642 3.532 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(-c3ccco3)nnc2Cl)CC1 ZINC001164828317 720340571 /nfs/dbraw/zinc/34/05/71/720340571.db2.gz OCRMXAFQNHXVQL-RTBURBONSA-N 1 0 479.959 3.846 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(C(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001164822179 720350972 /nfs/dbraw/zinc/35/09/72/720350972.db2.gz CCKFCSHCPQJGKA-WOJBJXKFSA-N 1 0 463.022 3.602 20 0 JHADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001164821410 720353798 /nfs/dbraw/zinc/35/37/98/720353798.db2.gz AGNHVKSSOATCMM-RTWAWAEBSA-N 1 0 486.016 3.842 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(Cl)(Cl)Oc2ccc(Cl)nc2)CC1 ZINC001164829661 720355189 /nfs/dbraw/zinc/35/51/89/720355189.db2.gz UAWPFJCOEMYFNI-IRXDYDNUSA-N 1 0 461.821 3.610 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)CC[C@@H]21 ZINC001164842464 720557653 /nfs/dbraw/zinc/55/76/53/720557653.db2.gz XNAQEYDIBOJCBA-HBFSDRIKSA-N 1 0 459.038 3.838 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835321 720585230 /nfs/dbraw/zinc/58/52/30/720585230.db2.gz BDYRWUVHHYOOGI-HHXXYDBFSA-N 1 0 461.948 3.797 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC[C@@H]21 ZINC001164841493 720587570 /nfs/dbraw/zinc/58/75/70/720587570.db2.gz SIBOJECIBYXYOT-PMPSAXMXSA-N 1 0 459.372 3.989 20 0 JHADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164835620 720590944 /nfs/dbraw/zinc/59/09/44/720590944.db2.gz BUXJSQMYIHWWSK-YQVWRLOYSA-N 1 0 467.948 3.641 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc(N5CCOCC5)cc4)nn3)CC[C@@H]21 ZINC001164841551 720630478 /nfs/dbraw/zinc/63/04/78/720630478.db2.gz TVXVENLUDXPLEL-NIYJGHKDSA-N 1 0 487.652 3.555 20 0 JHADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)c(OC)c1OC ZINC001164837327 720630496 /nfs/dbraw/zinc/63/04/96/720630496.db2.gz IAGHQDQJFPXDAW-ZRCGQRJVSA-N 1 0 492.624 3.744 20 0 JHADRO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840524 720690296 /nfs/dbraw/zinc/69/02/96/720690296.db2.gz FUDAYINHNMHMBT-NRFANRHFSA-N 1 0 450.583 3.791 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001164841085 720699847 /nfs/dbraw/zinc/69/98/47/720699847.db2.gz HPHSCSZKLZNRCL-KRWDZBQOSA-N 1 0 469.973 3.658 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164837620 720703578 /nfs/dbraw/zinc/70/35/78/720703578.db2.gz FGFOXYDWOKNUEF-QFIPXVFZSA-N 1 0 466.626 3.818 20 0 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COc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761153 721242169 /nfs/dbraw/zinc/24/21/69/721242169.db2.gz HVBHZKWUMQLVRF-ZWKOTPCHSA-N 1 0 454.962 3.623 20 0 JHADRO Cc1ccc(-c2nc3ccccc3c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)n2)cc1 ZINC001164872422 721279121 /nfs/dbraw/zinc/27/91/21/721279121.db2.gz CMFFBYHGYDZYHK-UHFFFAOYSA-N 1 0 473.621 3.612 20 0 JHADRO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3ncn4C(C)C)C2)C1 ZINC001164784054 721360306 /nfs/dbraw/zinc/36/03/06/721360306.db2.gz QGAVQILDWVOTGM-HSZRJFAPSA-N 1 0 474.009 3.784 20 0 JHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccncc4)nc4c3CCC4)C2)C1 ZINC001164785276 721370972 /nfs/dbraw/zinc/37/09/72/721370972.db2.gz SWGZEAZYWZJZIJ-MHZLTWQESA-N 1 0 474.609 3.751 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)c3cccnc3)C2)nc1 ZINC001164780335 721381811 /nfs/dbraw/zinc/38/18/11/721381811.db2.gz GATFLEAJBLVMBQ-SRNFOCHHSA-N 1 0 463.626 3.827 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc5c(Cl)ccnc54)C3)O2)CC1 ZINC001164888963 721408735 /nfs/dbraw/zinc/40/87/35/721408735.db2.gz PVWNNQGOTKCIGR-OPAMFIHVSA-N 1 0 450.414 3.702 20 0 JHADRO Cc1cccc(Sc2cncc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)n2)c1 ZINC001164895806 721427850 /nfs/dbraw/zinc/42/78/50/721427850.db2.gz PSWAJCMHWPJPFH-PXDATVDWSA-N 1 0 453.656 3.702 20 0 JHADRO COC(=O)c1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc2C)cc1 ZINC001164889533 721430960 /nfs/dbraw/zinc/43/09/60/721430960.db2.gz BIDYLAKYMCPWQU-RBJSKKJNSA-N 1 0 478.637 3.609 20 0 JHADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164899485 721434768 /nfs/dbraw/zinc/43/47/68/721434768.db2.gz YNOWILUDGJNVBB-IRPSRAIASA-N 1 0 488.680 3.862 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccc(F)cc4)C3)O2)CC1 ZINC001164895448 721436246 /nfs/dbraw/zinc/43/62/46/721436246.db2.gz PDQSFHUHYCBAFW-GBXCKJPGSA-N 1 0 475.996 3.827 20 0 JHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164782654 721439009 /nfs/dbraw/zinc/43/90/09/721439009.db2.gz KNNMKRVJEYARPS-HZPDHXFCSA-N 1 0 451.974 3.681 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C3)O2)CC1 ZINC001164899865 721439512 /nfs/dbraw/zinc/43/95/12/721439512.db2.gz ZKPNEBOAGWFTCO-WZONZLPQSA-N 1 0 493.002 3.502 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccn5)nc5sccc54)C3)O2)CC1 ZINC001164889621 721444882 /nfs/dbraw/zinc/44/48/82/721444882.db2.gz CJASXYHSXUOMJU-DFBJGRDBSA-N 1 0 464.639 3.519 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164885560 721453348 /nfs/dbraw/zinc/45/33/48/721453348.db2.gz FOEJZIVMXTZQOR-VGSWGCGISA-N 1 0 454.993 3.534 20 0 JHADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164790144 721455869 /nfs/dbraw/zinc/45/58/69/721455869.db2.gz XBDHINGFRPHTCB-HXUWFJFHSA-N 1 0 480.049 3.954 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc(OC)cc3)nn1)CC2 ZINC001164790619 721466732 /nfs/dbraw/zinc/46/67/32/721466732.db2.gz SMFZWTWDHSOCFZ-HSZRJFAPSA-N 1 0 466.626 3.886 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164786296 721468035 /nfs/dbraw/zinc/46/80/35/721468035.db2.gz ARKCWVDTONWLGF-SFHVURJKSA-N 1 0 485.019 3.898 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3ccncc3)nc(C)c1C)CC2 ZINC001164791752 721469265 /nfs/dbraw/zinc/46/92/65/721469265.db2.gz YLCBOGAGSVQSDI-XMMPIXPASA-N 1 0 465.642 3.889 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164787235 721473931 /nfs/dbraw/zinc/47/39/31/721473931.db2.gz DMZVMTCWMRCDAW-FQEVSTJZSA-N 1 0 467.589 3.984 20 0 JHADRO O=C(C[C@@H]1COC[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21)N1CCC(F)CC1 ZINC001164894991 721477430 /nfs/dbraw/zinc/47/74/30/721477430.db2.gz QDHOWXLSEQESSQ-DGWZTRNLSA-N 1 0 492.639 3.689 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccccc4)cc(-c4ccccc4)n2)CC3)CC1 ZINC001164794167 721511346 /nfs/dbraw/zinc/51/13/46/721511346.db2.gz INMDGJVGUSRDFO-UHFFFAOYSA-N 1 0 465.605 3.775 20 0 JHADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905199 721546985 /nfs/dbraw/zinc/54/69/85/721546985.db2.gz GKSPFKHATMTHGZ-XGQMCVAFSA-N 1 0 496.583 3.733 20 0 JHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[N@@H+]3C2)c1 ZINC001164905897 721558692 /nfs/dbraw/zinc/55/86/92/721558692.db2.gz HXRGBDUUSSXIGD-IRLDBZIGSA-N 1 0 462.525 3.786 20 0 JHADRO COc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)c(OC)c1 ZINC001164911089 721559198 /nfs/dbraw/zinc/55/91/98/721559198.db2.gz YHRIVFIIUJRBMO-RXVVDRJESA-N 1 0 450.514 3.642 20 0 JHADRO COc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)c(OC)c1 ZINC001164911082 721559396 /nfs/dbraw/zinc/55/93/96/721559396.db2.gz YHRIVFIIUJRBMO-GHTZIAJQSA-N 1 0 450.514 3.642 20 0 JHADRO COC(=O)c1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c2ccccc2c1OC ZINC001164904088 721559770 /nfs/dbraw/zinc/55/97/70/721559770.db2.gz CZKJYTWQZRNIHC-MJGOQNOKSA-N 1 0 451.498 3.511 20 0 JHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)CC[N@@H+]3C2)c1 ZINC001164903179 721568563 /nfs/dbraw/zinc/56/85/63/721568563.db2.gz BILKSODRZMXTCJ-DZGCQCFKSA-N 1 0 469.920 3.852 20 0 JHADRO COC(=O)c1ccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164904118 721587503 /nfs/dbraw/zinc/58/75/03/721587503.db2.gz DFBDQABMHBQZAV-QHCPKHFHSA-N 1 0 453.493 3.549 20 0 JHADRO CCOC(=O)c1cc2ccnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2[nH]1 ZINC001164906211 721699270 /nfs/dbraw/zinc/69/92/70/721699270.db2.gz MCGUMUSWTURUFV-QHCPKHFHSA-N 1 0 455.509 3.872 20 0 JHADRO CCOC(=O)c1cnc(C2CC2)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906121 721703501 /nfs/dbraw/zinc/70/35/01/721703501.db2.gz KBDHQMOSUAKYDL-HSZRJFAPSA-N 1 0 457.525 3.663 20 0 JHADRO CCOC(=O)c1cnc(C2CC2)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906123 721704342 /nfs/dbraw/zinc/70/43/42/721704342.db2.gz KBDHQMOSUAKYDL-QHCPKHFHSA-N 1 0 457.525 3.663 20 0 JHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccccn3)c(-c3ccccn3)nc2Cl)CC1 ZINC001165012295 721749640 /nfs/dbraw/zinc/74/96/40/721749640.db2.gz FTJMWFOXOYMHCL-UHFFFAOYSA-N 1 0 492.027 3.777 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCC(=O)N(Cc4ccc(OC)cc4)[C@H]3C2)nc1 ZINC001165027473 721797031 /nfs/dbraw/zinc/79/70/31/721797031.db2.gz VUXJTJUIJXXHMP-DSITVLBTSA-N 1 0 464.610 3.643 20 0 JHADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165026702 721825218 /nfs/dbraw/zinc/82/52/18/721825218.db2.gz PNFOHWPLWCKHJZ-WWPVKYPJSA-N 1 0 471.671 3.680 20 0 JHADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1C(=O)OCC ZINC001165024024 721832309 /nfs/dbraw/zinc/83/23/09/721832309.db2.gz JIBZAVATTRPNLW-TZYHBYERSA-N 1 0 466.582 3.567 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nnc(Cl)c3N3CCOCC3)C[C@@H]21 ZINC001165025144 721832553 /nfs/dbraw/zinc/83/25/53/721832553.db2.gz LXCKQNIGXSHPEL-YTQUADARSA-N 1 0 477.440 3.752 20 0 JHADRO O=C(C[C@@H]1OC[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC[C@H]21)NC1CCC1 ZINC001164933719 721895744 /nfs/dbraw/zinc/89/57/44/721895744.db2.gz NEOQFDLYEJDMLX-NOOIUNMQSA-N 1 0 460.622 3.540 20 0 JHADRO COc1nc(Cl)ncc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940244 721929594 /nfs/dbraw/zinc/92/95/94/721929594.db2.gz UFHVUCUGSFAFBX-UHFFFAOYSA-N 1 0 452.933 3.863 20 0 JHADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939040 721929912 /nfs/dbraw/zinc/92/99/12/721929912.db2.gz HRJUNWPSOZVKTE-BQYQJAHWSA-N 1 0 460.578 3.929 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)COc4cncc(Cl)n4)CC3)C2)cc1 ZINC001164940633 721931117 /nfs/dbraw/zinc/93/11/17/721931117.db2.gz VBQPCFVYAKLAKX-UHFFFAOYSA-N 1 0 452.933 3.777 20 0 JHADRO O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164960191 722035695 /nfs/dbraw/zinc/03/56/95/722035695.db2.gz UHCIAJURPHHGLO-NFBKMPQASA-N 1 0 473.955 3.584 20 0 JHADRO Clc1nc2c(c(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)n1)CN(Cc1ccccc1)C2 ZINC001164958785 722050857 /nfs/dbraw/zinc/05/08/57/722050857.db2.gz GHGSGWKSOATGDZ-ZFJSRUIDSA-N 1 0 477.012 3.946 20 0 JHADRO Clc1nc2c(c(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)n1)CN(Cc1ccccc1)CC2 ZINC001164959456 722050993 /nfs/dbraw/zinc/05/09/93/722050993.db2.gz KCJQFCUVSTTXED-QUURXOELSA-N 1 0 491.039 3.988 20 0 JHADRO O=C(c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1)N1CCCCC1 ZINC001164960451 722053924 /nfs/dbraw/zinc/05/39/24/722053924.db2.gz NUACCDCVKNOEPO-UHFFFAOYSA-N 1 0 484.044 3.875 20 0 JHADRO Clc1ncc(OCc2ccccc2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979765 722120569 /nfs/dbraw/zinc/12/05/69/722120569.db2.gz PUBNFDMCMFWXOF-GGAORHGYSA-N 1 0 465.985 3.831 20 0 JHADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164979036 722128058 /nfs/dbraw/zinc/12/80/58/722128058.db2.gz OUFLCTXXRXEKKE-FXAWDEMLSA-N 1 0 470.936 3.579 20 0 JHADRO O=C(c1ccccc1)n1ccc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164980344 722136500 /nfs/dbraw/zinc/13/65/00/722136500.db2.gz MZBPAKGOWKNOLR-RPBOFIJWSA-N 1 0 467.573 3.847 20 0 JHADRO CC(C)(C)OC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164977882 722152513 /nfs/dbraw/zinc/15/25/13/722152513.db2.gz ZAMTWEWXYZJQNH-NQIIRXRSSA-N 1 0 458.990 3.813 20 0 JHADRO COc1cc2c[nH+]c(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)cc2cc1OC ZINC001164990864 722185600 /nfs/dbraw/zinc/18/56/00/722185600.db2.gz SCLWFJYBAMLYTL-RTWAWAEBSA-N 1 0 454.596 3.887 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CCC2 ZINC001164999945 722253300 /nfs/dbraw/zinc/25/33/00/722253300.db2.gz JQMPURDYLSAHTF-UHFFFAOYSA-N 1 0 468.911 3.652 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CCC2 ZINC001165001621 722254547 /nfs/dbraw/zinc/25/45/47/722254547.db2.gz DAFSVSBKJYPWDB-UHFFFAOYSA-N 1 0 450.921 3.513 20 0 JHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004069 722256341 /nfs/dbraw/zinc/25/63/41/722256341.db2.gz MLKGZMMHIMJODW-HXUWFJFHSA-N 1 0 463.630 3.694 20 0 JHADRO Cc1nc(CO[C@@H]2COC3(C2)CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)cs1 ZINC001165007059 722272957 /nfs/dbraw/zinc/27/29/57/722272957.db2.gz UINIKLGNWHKINT-NRFANRHFSA-N 1 0 458.628 3.666 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)OC)CC[N@@H+]1CCOC ZINC001306621643 1069311046 /nfs/dbraw/zinc/31/10/46/1069311046.db2.gz DDBYXCHBMTXJBG-FUHWJXTLSA-N 1 0 498.441 3.819 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+](C)C2CCCC2)CCO1 ZINC001306622607 1069312526 /nfs/dbraw/zinc/31/25/26/1069312526.db2.gz LQTBLERKCSLXLN-OAQYLSRUSA-N 1 0 457.619 3.842 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)c2nc(C)cs2)CC[N@@H+]1CCOC ZINC001306622563 1069312672 /nfs/dbraw/zinc/31/26/72/1069312672.db2.gz ZZYKRJQFGFUHLB-IEBWSBKVSA-N 1 0 457.648 3.779 20 0 JHADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)Nc3cc(C(F)(F)F)n(C)n3)cc2)C[C@H]1C ZINC001311276937 1069313889 /nfs/dbraw/zinc/31/38/89/1069313889.db2.gz MHWIRRIRJYLHGC-HZPDHXFCSA-N 1 0 453.509 3.770 20 0 JHADRO Cn1nnc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)c1C(F)F ZINC001311287881 1069317211 /nfs/dbraw/zinc/31/72/11/1069317211.db2.gz KSASXAIISUDKRG-UHFFFAOYSA-N 1 0 450.490 3.970 20 0 JHADRO CCC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001306628129 1069325607 /nfs/dbraw/zinc/32/56/07/1069325607.db2.gz CKBSAUYSYPRSOK-ZCYQVOJMSA-N 1 0 485.673 3.836 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1CCOC ZINC001306629065 1069327677 /nfs/dbraw/zinc/32/76/77/1069327677.db2.gz IFZFAJPVVGYOCJ-NHCUHLMSSA-N 1 0 479.620 3.512 20 0 JHADRO C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)Oc1ccc(Br)cc1 ZINC001311343081 1069330502 /nfs/dbraw/zinc/33/05/02/1069330502.db2.gz GVDANCSELNYXRQ-QGZVFWFLSA-N 1 0 454.409 3.551 20 0 JHADRO COc1ccc([C@@H](CNC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)[NH+]2CCCC2)cc1 ZINC001311344952 1069331851 /nfs/dbraw/zinc/33/18/51/1069331851.db2.gz JKYYOPDUGUBTMI-XMMPIXPASA-N 1 0 451.546 3.699 20 0 JHADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CC(O)(c2cccc(Br)c2)C1 ZINC001311345898 1069332427 /nfs/dbraw/zinc/33/24/27/1069332427.db2.gz ZMQLCPJDEFCQHC-UHFFFAOYSA-N 1 0 450.421 3.851 20 0 JHADRO COC(=O)c1cccc2c1CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)C2 ZINC001311346897 1069333231 /nfs/dbraw/zinc/33/32/31/1069333231.db2.gz DDNSRUROJZRDPU-DEOSSOPVSA-N 1 0 451.567 3.777 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)s2)CC[N@@H+]1CCOC ZINC001306632265 1069333246 /nfs/dbraw/zinc/33/32/46/1069333246.db2.gz XDQBBZONCAVLBX-LJQANCHMSA-N 1 0 492.093 3.840 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@@H](OC)C(C)(C)C)CCO1 ZINC001306632363 1069333907 /nfs/dbraw/zinc/33/39/07/1069333907.db2.gz XZYJQUYPDDUXEV-LOSJGSFVSA-N 1 0 498.716 3.709 20 0 JHADRO COc1ccc([C@@H](CNC(=O)NC[C@H]2CC(c3ccc(C)c(C)c3)=NO2)[NH+]2CCCC2)cc1 ZINC001311348021 1069334328 /nfs/dbraw/zinc/33/43/28/1069334328.db2.gz XUTCTNIKFFEJMY-ILBGXUMGSA-N 1 0 450.583 3.941 20 0 JHADRO O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)NCCC[NH2+]C1CCCCC1 ZINC001306633396 1069336456 /nfs/dbraw/zinc/33/64/56/1069336456.db2.gz NQYFAPQSSOVFJI-GOSISDBHSA-N 1 0 455.386 3.627 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001306634753 1069340584 /nfs/dbraw/zinc/34/05/84/1069340584.db2.gz ZSUMAYBJYPSEBR-FGZHOGPDSA-N 1 0 471.646 3.991 20 0 JHADRO CCC[C@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001306634754 1069340658 /nfs/dbraw/zinc/34/06/58/1069340658.db2.gz ZSUMAYBJYPSEBR-VXKWHMMOSA-N 1 0 471.646 3.991 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCc2cccc(C)c2Br)CC1 ZINC001311357142 1069341083 /nfs/dbraw/zinc/34/10/83/1069341083.db2.gz CAZHLWLPBUBEPO-UHFFFAOYSA-N 1 0 459.432 3.894 20 0 JHADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCCc4c(cccc4OC)C3)cc2)CC1 ZINC001311358208 1069341783 /nfs/dbraw/zinc/34/17/83/1069341783.db2.gz QHWZJKWUPDVANG-XMMPIXPASA-N 1 0 450.627 3.580 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCC[C@H]2CSc3ccccc3O2)CC1 ZINC001311359205 1069342960 /nfs/dbraw/zinc/34/29/60/1069342960.db2.gz VYFLJFBHRMJAOM-QFIPXVFZSA-N 1 0 454.640 3.567 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC001311359210 1069343536 /nfs/dbraw/zinc/34/35/36/1069343536.db2.gz VYMNUDMMZMNBHC-HXUWFJFHSA-N 1 0 454.615 3.710 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CCN(c4ccccc4F)C3=O)cc2)C1 ZINC001311360453 1069344274 /nfs/dbraw/zinc/34/42/74/1069344274.db2.gz PONDHHLPNDBJQT-PWHSHALESA-N 1 0 452.574 3.908 20 0 JHADRO CCc1cc(N2CCC(NC(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC2)ncn1 ZINC001311369991 1069347722 /nfs/dbraw/zinc/34/77/22/1069347722.db2.gz LDAVBKYVDKQPSH-JOCHJYFZSA-N 1 0 457.022 3.798 20 0 JHADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCN(CCOc2ccccc2)CC1 ZINC001311376341 1069350172 /nfs/dbraw/zinc/35/01/72/1069350172.db2.gz URVDDHDQLGOTRB-XMMPIXPASA-N 1 0 457.018 3.883 20 0 JHADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCN(CCOc2ccccc2)CC1 ZINC001311376339 1069350338 /nfs/dbraw/zinc/35/03/38/1069350338.db2.gz URVDDHDQLGOTRB-DEOSSOPVSA-N 1 0 457.018 3.883 20 0 JHADRO CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001306642105 1069353285 /nfs/dbraw/zinc/35/32/85/1069353285.db2.gz VBGZVEJNKQKQOU-UHFFFAOYSA-N 1 0 479.467 3.785 20 0 JHADRO COc1ccc2c(c1)CCN(C(=O)NCCCC[NH+]1CCN(c3cccc(C)c3)CC1)CC2 ZINC001311381677 1069354395 /nfs/dbraw/zinc/35/43/95/1069354395.db2.gz SQXUBXQJUUAFBT-UHFFFAOYSA-N 1 0 450.627 3.716 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)NCCc3ccc([Si](C)(C)C)cc3)CC2)c1 ZINC001311382555 1069355071 /nfs/dbraw/zinc/35/50/71/1069355071.db2.gz YBBGEQCURSFYBL-UHFFFAOYSA-N 1 0 452.719 3.594 20 0 JHADRO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001311395417 1069360518 /nfs/dbraw/zinc/36/05/18/1069360518.db2.gz KAUCNDZBGWOPCR-ROKPMTFOSA-N 1 0 453.631 3.894 20 0 JHADRO CC[C@@H](CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC001311394382 1069359467 /nfs/dbraw/zinc/35/94/67/1069359467.db2.gz BIWLXSCPRBFAOI-UIOOFZCWSA-N 1 0 450.627 3.504 20 0 JHADRO C[C@H](CNC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC001311398912 1069361626 /nfs/dbraw/zinc/36/16/26/1069361626.db2.gz BNWJEMIRTZCGPW-JXXFODFXSA-N 1 0 450.546 3.881 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC001311405485 1069363965 /nfs/dbraw/zinc/36/39/65/1069363965.db2.gz WICIJDLZRLNQIS-RJGXRXQPSA-N 1 0 456.631 3.770 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001306652779 1069364510 /nfs/dbraw/zinc/36/45/10/1069364510.db2.gz YIDQIQFGJHWIJC-IBGZPJMESA-N 1 0 461.054 3.630 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NCCOc1cccc(C(F)(F)F)c1 ZINC001311422366 1069370278 /nfs/dbraw/zinc/37/02/78/1069370278.db2.gz JAPIUXYOLJXPTR-UHFFFAOYSA-N 1 0 450.505 3.596 20 0 JHADRO CC(C)[NH+](CCNC(=O)N1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1)C(C)C ZINC001311420798 1069368525 /nfs/dbraw/zinc/36/85/25/1069368525.db2.gz NBBMJNREDOBOKV-SFTDATJTSA-N 1 0 454.656 3.599 20 0 JHADRO COc1ccc(C2(CNC(=O)NCCC[N@@H+]3CCN(C)C[C@H]3c3ccccc3)CCC2)cc1 ZINC001311421638 1069369031 /nfs/dbraw/zinc/36/90/31/1069369031.db2.gz CSWJIQJYJUFTCL-VWLOTQADSA-N 1 0 450.627 3.795 20 0 JHADRO COc1ccc(C2(CNC(=O)NCCC[N@@H+]3CCN(C)C[C@@H]3c3ccccc3)CCC2)cc1 ZINC001311421636 1069369465 /nfs/dbraw/zinc/36/94/65/1069369465.db2.gz CSWJIQJYJUFTCL-RUZDIDTESA-N 1 0 450.627 3.795 20 0 JHADRO CCCCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001306657034 1069370014 /nfs/dbraw/zinc/37/00/14/1069370014.db2.gz XFIQSKNPRXHPPB-RDGATRHJSA-N 1 0 496.700 3.989 20 0 JHADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N[C@H](c1ccccc1)C1CCOCC1 ZINC001311424977 1069373350 /nfs/dbraw/zinc/37/33/50/1069373350.db2.gz VJOVMSDNOWRJPK-AREMUKBSSA-N 1 0 450.627 3.661 20 0 JHADRO C[C@@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001311427535 1069374799 /nfs/dbraw/zinc/37/47/99/1069374799.db2.gz ZQGAGESSTYUPNB-YUVSOPLDSA-N 1 0 456.631 3.747 20 0 JHADRO COc1ccc(C[C@H](C)CN(C)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC001311424171 1069372466 /nfs/dbraw/zinc/37/24/66/1069372466.db2.gz PYMDNIIPXUPSES-BKMJKUGQSA-N 1 0 452.643 3.894 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCCC2)CC1 ZINC001306660765 1069379835 /nfs/dbraw/zinc/37/98/35/1069379835.db2.gz LPCRXHDGWUJHKN-UHFFFAOYSA-N 1 0 452.647 3.872 20 0 JHADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC001311430515 1069376515 /nfs/dbraw/zinc/37/65/15/1069376515.db2.gz MYYDZTGPPKRSML-HNNXBMFYSA-N 1 0 459.454 3.553 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001306660872 1069380207 /nfs/dbraw/zinc/38/02/07/1069380207.db2.gz AAGBZTOTPPDFLG-NRFANRHFSA-N 1 0 456.635 3.806 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(C)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001306662548 1069383928 /nfs/dbraw/zinc/38/39/28/1069383928.db2.gz UJNMSFPRMGFWMG-XMMPIXPASA-N 1 0 454.663 3.927 20 0 JHADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001311449999 1069384022 /nfs/dbraw/zinc/38/40/22/1069384022.db2.gz UVQZZEQUFOGBLD-QZTJIDSGSA-N 1 0 454.384 3.606 20 0 JHADRO CN(C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCC[C@H]1O ZINC001311451062 1069384539 /nfs/dbraw/zinc/38/45/39/1069384539.db2.gz CGWFAPJOGWCKKX-NHCUHLMSSA-N 1 0 456.553 3.553 20 0 JHADRO O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001311451830 1069384615 /nfs/dbraw/zinc/38/46/15/1069384615.db2.gz JBURTAFDKWXHEA-BGYRXZFFSA-N 1 0 452.521 3.513 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001306664729 1069389938 /nfs/dbraw/zinc/38/99/38/1069389938.db2.gz LQOHPCYJISAOCC-UHFFFAOYSA-N 1 0 482.648 3.745 20 0 JHADRO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001311458956 1069387792 /nfs/dbraw/zinc/38/77/92/1069387792.db2.gz JMZORFNTLHUBIG-JOCHJYFZSA-N 1 0 452.599 3.798 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001306665166 1069391446 /nfs/dbraw/zinc/39/14/46/1069391446.db2.gz NBXINXXKKSUZBO-FGZHOGPDSA-N 1 0 488.702 3.969 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001306666553 1069394584 /nfs/dbraw/zinc/39/45/84/1069394584.db2.gz XEJAHYCOQDABMI-WHCXKFMVSA-N 1 0 488.721 3.767 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001306666080 1069393125 /nfs/dbraw/zinc/39/31/25/1069393125.db2.gz VSKLVUJUXBVSGV-DEOSSOPVSA-N 1 0 481.689 3.613 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001306677730 1069401638 /nfs/dbraw/zinc/40/16/38/1069401638.db2.gz BPURAIHTDGOZAM-BJKOFHAPSA-N 1 0 474.694 3.727 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(F)ccc2OC)CC1 ZINC001306678194 1069402423 /nfs/dbraw/zinc/40/24/23/1069402423.db2.gz JGKUBNBBEHPIPE-UHFFFAOYSA-N 1 0 469.609 3.823 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N[C@@H](c3ccccc3)C3(CO)CCC3)cc2)C[C@H](C)O1 ZINC001311495820 1069405641 /nfs/dbraw/zinc/40/56/41/1069405641.db2.gz INKBSVBXCNMHQR-BKSPAHHJSA-N 1 0 451.611 3.999 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccnc2OC)CC1 ZINC001306679713 1069406025 /nfs/dbraw/zinc/40/60/25/1069406025.db2.gz SHUWLDZBVFLDSF-QFIPXVFZSA-N 1 0 456.635 3.920 20 0 JHADRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCc3cc(F)cc(Br)c3C2)cc1 ZINC001311497757 1069407189 /nfs/dbraw/zinc/40/71/89/1069407189.db2.gz YCLDIAARQHLPPK-UHFFFAOYSA-N 1 0 450.352 3.797 20 0 JHADRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1 ZINC001311496997 1069407196 /nfs/dbraw/zinc/40/71/96/1069407196.db2.gz NOOATEPWVFJCNN-UHFFFAOYSA-N 1 0 451.398 3.966 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CCn2cc(Br)cn2)CC1 ZINC001306680627 1069407796 /nfs/dbraw/zinc/40/77/96/1069407796.db2.gz RSFSNMPDBLJKQH-HXUWFJFHSA-N 1 0 494.482 3.737 20 0 JHADRO C[C@H]1CN(c2ccc(CNC(=O)NCc3ccccc3C[NH+]3CCCCCC3)cn2)CCO1 ZINC001311504175 1069412333 /nfs/dbraw/zinc/41/23/33/1069412333.db2.gz PYOGTWRTEFZSGE-NRFANRHFSA-N 1 0 451.615 3.682 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccn(C)n2)CC1 ZINC001306680976 1069408951 /nfs/dbraw/zinc/40/89/51/1069408951.db2.gz RNSDCJLKOQJFHJ-UHFFFAOYSA-N 1 0 451.619 3.684 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001306681388 1069409976 /nfs/dbraw/zinc/40/99/76/1069409976.db2.gz LKBACMZZKWDOII-UXHICEINSA-N 1 0 476.572 3.526 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001306681188 1069410022 /nfs/dbraw/zinc/41/00/22/1069410022.db2.gz YZXMRWOPWIROGX-NRFANRHFSA-N 1 0 493.027 3.616 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001306683435 1069416571 /nfs/dbraw/zinc/41/65/71/1069416571.db2.gz UDNMZIHOXZDUIZ-NRFANRHFSA-N 1 0 479.629 3.940 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001306683548 1069417278 /nfs/dbraw/zinc/41/72/78/1069417278.db2.gz WKOLTIOFAZNAND-KNQAVFIVSA-N 1 0 457.619 3.700 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001306682786 1069414617 /nfs/dbraw/zinc/41/46/17/1069414617.db2.gz NPCPDPOXFDXKKH-VWLOTQADSA-N 1 0 491.702 3.722 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC(N)=O)CC1 ZINC001306682875 1069415198 /nfs/dbraw/zinc/41/51/98/1069415198.db2.gz PEJIMERNEIBQCP-UHFFFAOYSA-N 1 0 450.990 3.561 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C(C)=O)CC1 ZINC001306682931 1069415284 /nfs/dbraw/zinc/41/52/84/1069415284.db2.gz QVYVIGSVLYQVJL-UHFFFAOYSA-N 1 0 450.990 3.528 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001306683063 1069416069 /nfs/dbraw/zinc/41/60/69/1069416069.db2.gz NQDNOWPSYPYZCD-UHFFFAOYSA-N 1 0 463.634 3.835 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001306683933 1069418732 /nfs/dbraw/zinc/41/87/32/1069418732.db2.gz GGJOFNSYRNNDEA-NRFANRHFSA-N 1 0 476.000 3.781 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001306685321 1069420638 /nfs/dbraw/zinc/42/06/38/1069420638.db2.gz AWRRLSQDFOYLGZ-XMMPIXPASA-N 1 0 486.636 3.920 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccncc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001306686594 1069423090 /nfs/dbraw/zinc/42/30/90/1069423090.db2.gz DRKGGXZIJSOOJG-UHFFFAOYSA-N 1 0 485.677 3.832 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001306686920 1069423163 /nfs/dbraw/zinc/42/31/63/1069423163.db2.gz BHXDAPGVEFPAMS-QYZOEREBSA-N 1 0 452.619 3.876 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001306687841 1069424558 /nfs/dbraw/zinc/42/45/58/1069424558.db2.gz LQHQJALHDDDYKT-FQEVSTJZSA-N 1 0 458.607 3.774 20 0 JHADRO CCCC[N@H+](C)CCn1c(N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)nnc1C(C)(C)C ZINC001306688012 1069425370 /nfs/dbraw/zinc/42/53/70/1069425370.db2.gz NMRXBLGOVHHJOW-UHFFFAOYSA-N 1 0 470.662 3.555 20 0 JHADRO CCC(CC)[C@@H](CNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)N1CCOCC1 ZINC001311532953 1069426301 /nfs/dbraw/zinc/42/63/01/1069426301.db2.gz JWDHVILXHICMIW-RUZDIDTESA-N 1 0 456.675 3.920 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001306689456 1069426641 /nfs/dbraw/zinc/42/66/41/1069426641.db2.gz VYLVWXRXUULUMK-QHWMMSMNSA-N 1 0 485.673 3.979 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 ZINC001306689643 1069427071 /nfs/dbraw/zinc/42/70/71/1069427071.db2.gz XEMTVQBUQGHIEG-HSZRJFAPSA-N 1 0 450.635 3.651 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306689709 1069427093 /nfs/dbraw/zinc/42/70/93/1069427093.db2.gz YSMDNDSWPCGXBW-FQEVSTJZSA-N 1 0 491.706 3.811 20 0 JHADRO CCC(CC)[C@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)[NH+]1CCCC1 ZINC001311538234 1069430230 /nfs/dbraw/zinc/43/02/30/1069430230.db2.gz UPNBQEJUIJEMMZ-YADHBBJMSA-N 1 0 450.649 3.503 20 0 JHADRO CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306700199 1069435598 /nfs/dbraw/zinc/43/55/98/1069435598.db2.gz FSDIDBILANKXQG-RTWAWAEBSA-N 1 0 458.626 3.962 20 0 JHADRO C[N@H+](CCCNC(=O)NCCc1ccc(I)cc1)Cc1ccccc1 ZINC001311554381 1069436856 /nfs/dbraw/zinc/43/68/56/1069436856.db2.gz NKJXOLXWRUJOFC-UHFFFAOYSA-N 1 0 451.352 3.655 20 0 JHADRO Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)C2)cc1 ZINC001311569416 1069442003 /nfs/dbraw/zinc/44/20/03/1069442003.db2.gz WBBGUORCMQRNPC-ISKFKSNPSA-N 1 0 451.615 3.711 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F)Cc1ccccc1 ZINC001311566882 1069440740 /nfs/dbraw/zinc/44/07/40/1069440740.db2.gz CEJFKKXFAYBHAP-NRFANRHFSA-N 1 0 458.578 3.823 20 0 JHADRO CCN(C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC001311568344 1069441359 /nfs/dbraw/zinc/44/13/59/1069441359.db2.gz CIFVCWRUAFRNKV-GOTSBHOMSA-N 1 0 450.583 3.669 20 0 JHADRO CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)CC1 ZINC001311576464 1069446336 /nfs/dbraw/zinc/44/63/36/1069446336.db2.gz BGNXRWCKTKBCSJ-NLFFAJNJSA-N 1 0 458.603 3.673 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C1CCOCC1)C1(CO)CCC1)c1ccccc1Cl ZINC001311570513 1069442796 /nfs/dbraw/zinc/44/27/96/1069442796.db2.gz ZEMFLDSUXGOTHH-YADHBBJMSA-N 1 0 452.039 3.980 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1 ZINC001311570409 1069442821 /nfs/dbraw/zinc/44/28/21/1069442821.db2.gz JDTXQBPPZRJIAI-PKTZIBPZSA-N 1 0 458.553 3.838 20 0 JHADRO C[C@@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1OC(F)F ZINC001311571715 1069443352 /nfs/dbraw/zinc/44/33/52/1069443352.db2.gz LSFXEMSMHKOBGE-QGZVFWFLSA-N 1 0 450.505 3.605 20 0 JHADRO COc1ccccc1[C@H]1CCCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001311572281 1069443988 /nfs/dbraw/zinc/44/39/88/1069443988.db2.gz OYWCUKANNJYZMW-DEOSSOPVSA-N 1 0 450.627 3.792 20 0 JHADRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001311588348 1069452491 /nfs/dbraw/zinc/45/24/91/1069452491.db2.gz AJDXUWOBRFCLPQ-UHFFFAOYSA-N 1 0 453.631 3.630 20 0 JHADRO O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001311582892 1069450046 /nfs/dbraw/zinc/45/00/46/1069450046.db2.gz DWZGXOBSNSLAES-FQEVSTJZSA-N 1 0 452.665 3.581 20 0 JHADRO CCCN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001311584367 1069450586 /nfs/dbraw/zinc/45/05/86/1069450586.db2.gz PCLPLMCSEKZIPX-LJQANCHMSA-N 1 0 454.681 3.779 20 0 JHADRO C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001311583987 1069450640 /nfs/dbraw/zinc/45/06/40/1069450640.db2.gz NWGUYOHLQPBKFF-MOPGFXCFSA-N 1 0 454.681 3.540 20 0 JHADRO COc1cc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1OCc1ccccc1 ZINC001311584056 1069450666 /nfs/dbraw/zinc/45/06/66/1069450666.db2.gz REDGFTVKSWNYPF-JOCHJYFZSA-N 1 0 453.583 3.574 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001306722167 1069459013 /nfs/dbraw/zinc/45/90/13/1069459013.db2.gz HQUHJAUNOUQKMW-JOCHJYFZSA-N 1 0 456.610 3.909 20 0 JHADRO CC[C@@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC001311608801 1069460867 /nfs/dbraw/zinc/46/08/67/1069460867.db2.gz WWORHOODPZPGCR-FYYLOGMGSA-N 1 0 456.631 3.512 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(C)(OC)C1 ZINC001306723842 1069464660 /nfs/dbraw/zinc/46/46/60/1069464660.db2.gz VOCOCAMMGMIYFF-FQEVSTJZSA-N 1 0 457.619 3.842 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306724381 1069465347 /nfs/dbraw/zinc/46/53/47/1069465347.db2.gz YPZUYLJTIOUCPQ-NRFANRHFSA-N 1 0 455.651 3.623 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc(F)cc1 ZINC001311617132 1069468784 /nfs/dbraw/zinc/46/87/84/1069468784.db2.gz FKNYMWHEAARZEU-YLJYHZDGSA-N 1 0 454.468 3.905 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001306726230 1069468887 /nfs/dbraw/zinc/46/88/87/1069468887.db2.gz KOJKZLLSJRLKCA-UGKGYDQZSA-N 1 0 473.065 3.844 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1C(C)(C)C ZINC001306727055 1069471153 /nfs/dbraw/zinc/47/11/53/1069471153.db2.gz CCBMSAQFFZHQHM-FQEVSTJZSA-N 1 0 480.657 3.963 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001306727070 1069471224 /nfs/dbraw/zinc/47/12/24/1069471224.db2.gz CKZCGRRAXSYFAP-JFCAZQBUSA-N 1 0 463.667 3.518 20 0 JHADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001311620598 1069471587 /nfs/dbraw/zinc/47/15/87/1069471587.db2.gz SUGUGSCUHWHPQH-NRFANRHFSA-N 1 0 451.398 3.744 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CC[N@H+](CCC)C2)C1 ZINC001306727154 1069471628 /nfs/dbraw/zinc/47/16/28/1069471628.db2.gz AWTPFLAEJCXFGK-GPJHCHHRSA-N 1 0 474.694 3.773 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O ZINC001306727580 1069472837 /nfs/dbraw/zinc/47/28/37/1069472837.db2.gz FCYCZAIKHANPRI-XAPVIXHLSA-N 1 0 462.683 3.551 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(Cc3ccsc3)n2CC[NH+]2CCSCC2)C1 ZINC001306729729 1069479144 /nfs/dbraw/zinc/47/91/44/1069479144.db2.gz AHCZOGIJTBRCBL-CTNGQTDRSA-N 1 0 490.743 3.500 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC3CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001306729833 1069479699 /nfs/dbraw/zinc/47/96/99/1069479699.db2.gz AVRZDIXFLWZDJH-CUDBPUKSSA-N 1 0 488.721 3.640 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001306730565 1069482496 /nfs/dbraw/zinc/48/24/96/1069482496.db2.gz NTKDORQBKVYGBL-RTWAWAEBSA-N 1 0 488.702 3.785 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](C)[NH+](C)C)C1 ZINC001306730869 1069483538 /nfs/dbraw/zinc/48/35/38/1069483538.db2.gz HVCZLBDPLWMAJX-PWRODBHTSA-N 1 0 479.673 3.908 20 0 JHADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001311638111 1069483950 /nfs/dbraw/zinc/48/39/50/1069483950.db2.gz GKIZZGFANXMPAX-RBUKOAKNSA-N 1 0 451.453 3.959 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC ZINC001306731570 1069486279 /nfs/dbraw/zinc/48/62/79/1069486279.db2.gz QRYFUFRDHDAMKI-DXBBTUNJSA-N 1 0 476.710 3.670 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2CC2CC[NH+](CCC)CC2)C1 ZINC001306731911 1069487939 /nfs/dbraw/zinc/48/79/39/1069487939.db2.gz KJGFIFOPAOHACG-XUZZJYLKSA-N 1 0 481.689 3.983 20 0 JHADRO COC(=O)c1ccc(CCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001311651440 1069489201 /nfs/dbraw/zinc/48/92/01/1069489201.db2.gz DAGWJLCHESIQQC-QHCPKHFHSA-N 1 0 453.583 3.797 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CC[NH+]2CCCCC2)C1 ZINC001306732748 1069490684 /nfs/dbraw/zinc/49/06/84/1069490684.db2.gz ILWIUXBLACCFAM-FPOVZHCZSA-N 1 0 487.718 3.641 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001306732846 1069491761 /nfs/dbraw/zinc/49/17/61/1069491761.db2.gz MGPKZGAPAQDHPA-BHIFYINESA-N 1 0 469.678 3.915 20 0 JHADRO CCS(=O)(=O)c1ccccc1CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001311660446 1069492187 /nfs/dbraw/zinc/49/21/87/1069492187.db2.gz VEIAAANJUFIQAL-QHCPKHFHSA-N 1 0 457.640 3.795 20 0 JHADRO 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CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CC=CCC2)CC1 ZINC001306746101 1069530308 /nfs/dbraw/zinc/53/03/08/1069530308.db2.gz XRJMZWKYZAUUIE-UHFFFAOYSA-N 1 0 471.049 3.993 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001306746308 1069530802 /nfs/dbraw/zinc/53/08/02/1069530802.db2.gz HDAQKGPRPDKVEQ-HRBLDNDGSA-N 1 0 471.646 3.680 20 0 JHADRO COc1ccc([C@@H]2CN(C(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CCO2)cc1OC ZINC001311745738 1069530982 /nfs/dbraw/zinc/53/09/82/1069530982.db2.gz FAKMODMJGHBCDY-OFVILXPXSA-N 1 0 453.583 3.699 20 0 JHADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC001311767057 1069538678 /nfs/dbraw/zinc/53/86/78/1069538678.db2.gz XSGIOWBERCKNMY-FQEVSTJZSA-N 1 0 454.537 3.663 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001311762281 1069537336 /nfs/dbraw/zinc/53/73/36/1069537336.db2.gz CDHWPXMTKDXWRA-RBUKOAKNSA-N 1 0 450.649 3.953 20 0 JHADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC001311782499 1069544287 /nfs/dbraw/zinc/54/42/87/1069544287.db2.gz FEEXQJDCTYQYHH-UHFFFAOYSA-N 1 0 450.539 3.814 20 0 JHADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001311786539 1069545311 /nfs/dbraw/zinc/54/53/11/1069545311.db2.gz ZMVKXETWMBDYSJ-IGUJJWBZSA-N 1 0 458.553 3.732 20 0 JHADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC001311802931 1069552275 /nfs/dbraw/zinc/55/22/75/1069552275.db2.gz YDDSMRJHTYTGLB-FQEVSTJZSA-N 1 0 450.421 3.813 20 0 JHADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC001311802918 1069552336 /nfs/dbraw/zinc/55/23/36/1069552336.db2.gz XWXQTGJWRHNHPI-QGZVFWFLSA-N 1 0 452.437 3.869 20 0 JHADRO CC[C@H](NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001311809560 1069554206 /nfs/dbraw/zinc/55/42/06/1069554206.db2.gz LKVOVEVWXWHREB-ARNLJNQMSA-N 1 0 454.615 3.704 20 0 JHADRO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+](C)C1CCCCC1 ZINC001306766995 1069568225 /nfs/dbraw/zinc/56/82/25/1069568225.db2.gz BHZUMSIQZDKKRQ-UHFFFAOYSA-N 1 0 461.680 3.657 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)CC)C1 ZINC001306780267 1069577014 /nfs/dbraw/zinc/57/70/14/1069577014.db2.gz AMAVBXWRODQXLY-LJQANCHMSA-N 1 0 465.646 3.796 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[S@](=O)C(C)(C)C)C1 ZINC001306780445 1069577938 /nfs/dbraw/zinc/57/79/38/1069577938.db2.gz NPZXRRAHIBOVIK-JTBPQFFMSA-N 1 0 499.523 3.751 20 0 JHADRO Cc1ccc(CC2CN(C(=O)NCc3cccc(OCC[N@@H+](C)C4CCOCC4)c3)C2)cc1 ZINC001311848672 1069578087 /nfs/dbraw/zinc/57/80/87/1069578087.db2.gz IQFBVEGODVVMBS-UHFFFAOYSA-N 1 0 451.611 3.869 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](CC)OC)C1 ZINC001306783719 1069583725 /nfs/dbraw/zinc/58/37/25/1069583725.db2.gz OGCPJEPBFAHWCL-IFMALSPDSA-N 1 0 492.709 3.986 20 0 JHADRO CC(C)(C)OC(=O)N(CCNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC001311857261 1069583042 /nfs/dbraw/zinc/58/30/42/1069583042.db2.gz DHAAEINLSNRSHQ-YMPZKCBVSA-N 1 0 456.631 3.986 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccnc(OC(F)F)c2)C1 ZINC001306783694 1069583145 /nfs/dbraw/zinc/58/31/45/1069583145.db2.gz NXARCLRFYIHBJB-MOPGFXCFSA-N 1 0 464.561 3.733 20 0 JHADRO C[N@H+](CCOc1cccc(CNC(=O)NC[C@H]2CCC3(CCCCC3)O2)c1)C1CCOCC1 ZINC001311851649 1069579964 /nfs/dbraw/zinc/57/99/64/1069579964.db2.gz RLTIWAAHCJNOIY-XMMPIXPASA-N 1 0 459.631 3.857 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)OC)C1 ZINC001306782641 1069580977 /nfs/dbraw/zinc/58/09/77/1069580977.db2.gz DSXRDOLAHCAYGW-DLBZAZTESA-N 1 0 450.425 3.911 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2Cc2cc(C)nn2C)C1 ZINC001306784034 1069584123 /nfs/dbraw/zinc/58/41/23/1069584123.db2.gz KDIVDXIEGYZIJI-SFHVURJKSA-N 1 0 486.462 3.966 20 0 JHADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1cc(OC)c(OC)cc1Br)c1ccco1 ZINC001311858852 1069584524 /nfs/dbraw/zinc/58/45/24/1069584524.db2.gz SRJZGCLTBLUQFC-CZUORRHYSA-N 1 0 454.365 3.988 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(C)COCCO2)C1 ZINC001306784471 1069585266 /nfs/dbraw/zinc/58/52/66/1069585266.db2.gz LKMOEWWJCZMHEY-WZONZLPQSA-N 1 0 492.462 3.681 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCSC2)C1 ZINC001306785816 1069586609 /nfs/dbraw/zinc/58/66/09/1069586609.db2.gz QNOAEDSQTWUAKU-OALUTQOASA-N 1 0 459.660 3.884 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001306786495 1069589191 /nfs/dbraw/zinc/58/91/91/1069589191.db2.gz VKHDNRBOJYGCHH-WOJBJXKFSA-N 1 0 464.580 3.997 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001306786604 1069589424 /nfs/dbraw/zinc/58/94/24/1069589424.db2.gz XIWTZLJWSHZAQZ-IBGZPJMESA-N 1 0 489.546 3.893 20 0 JHADRO 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CCC[NH+]1CCC(Cn2c(Cn3nc(C)cc3C)nnc2N2CCCC[C@@H](COC)C2)CC1 ZINC001307040662 1069766819 /nfs/dbraw/zinc/76/68/19/1069766819.db2.gz CLMGHJZOLUCFBP-HSZRJFAPSA-N 1 0 457.667 3.515 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cn3nc(C)cc3C)nnc2N2CCCC[C@H](COC)C2)CC1 ZINC001307040663 1069767783 /nfs/dbraw/zinc/76/77/83/1069767783.db2.gz CLMGHJZOLUCFBP-QHCPKHFHSA-N 1 0 457.667 3.515 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2SC)CC1 ZINC001307040868 1069768368 /nfs/dbraw/zinc/76/83/68/1069768368.db2.gz AFRBPOMLKWVUNL-OAQYLSRUSA-N 1 0 491.727 3.661 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC001307041716 1069769847 /nfs/dbraw/zinc/76/98/47/1069769847.db2.gz HPOHYOQZSYQXKI-AZUAARDMSA-N 1 0 472.600 3.715 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@H](C(=O)OC)C2)C1 ZINC001307041985 1069770772 /nfs/dbraw/zinc/77/07/72/1069770772.db2.gz OEXKMYIAQDQMIW-YADHBBJMSA-N 1 0 469.630 3.595 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC(C)(C)O)cc1 ZINC001314195638 1069770806 /nfs/dbraw/zinc/77/08/06/1069770806.db2.gz DSLYOLUDCLJPNW-IBGZPJMESA-N 1 0 459.635 3.898 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@H](C(=O)OC)C2)C1 ZINC001307041984 1069770857 /nfs/dbraw/zinc/77/08/57/1069770857.db2.gz OEXKMYIAQDQMIW-VXKWHMMOSA-N 1 0 469.630 3.595 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001307042191 1069771514 /nfs/dbraw/zinc/77/15/14/1069771514.db2.gz DSUVEENSNXAGNZ-HUUCEWRRSA-N 1 0 458.554 3.626 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CC(=O)N(C)CC)cc1 ZINC001314195712 1069771807 /nfs/dbraw/zinc/77/18/07/1069771807.db2.gz FROVRUHVKHFLJP-NRFANRHFSA-N 1 0 498.672 3.750 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001307042430 1069772175 /nfs/dbraw/zinc/77/21/75/1069772175.db2.gz QHSIFUXPRHLVOD-HXUWFJFHSA-N 1 0 480.579 3.582 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(F)(F)C2)C1 ZINC001307043579 1069774644 /nfs/dbraw/zinc/77/46/44/1069774644.db2.gz RGODAUTVAGBLLR-RBUKOAKNSA-N 1 0 482.620 3.970 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001307042657 1069773038 /nfs/dbraw/zinc/77/30/38/1069773038.db2.gz LDAYQFJKRKAOAR-SFTDATJTSA-N 1 0 490.693 3.740 20 0 JHADRO COc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001312190923 1069773122 /nfs/dbraw/zinc/77/31/22/1069773122.db2.gz RDSLVBLIGWSPCA-HSZRJFAPSA-N 1 0 458.647 3.806 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)C1 ZINC001307044019 1069776682 /nfs/dbraw/zinc/77/66/82/1069776682.db2.gz OBMMMKVWQMTDIG-VXKWHMMOSA-N 1 0 490.693 3.597 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCOC3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001307044307 1069777253 /nfs/dbraw/zinc/77/72/53/1069777253.db2.gz PMMAKAOXMKMLPG-KNQAVFIVSA-N 1 0 489.686 3.505 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC001312205548 1069780678 /nfs/dbraw/zinc/78/06/78/1069780678.db2.gz WRKUMJRQRHQMDM-RCZVLFRGSA-N 1 0 452.599 3.672 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N(C)C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001307045380 1069781677 /nfs/dbraw/zinc/78/16/77/1069781677.db2.gz WCIUEICRMCXZIC-QFIPXVFZSA-N 1 0 466.674 3.950 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)C1 ZINC001307045388 1069781695 /nfs/dbraw/zinc/78/16/95/1069781695.db2.gz WGZHADAYDZHHQO-AZUAARDMSA-N 1 0 471.646 3.669 20 0 JHADRO C[C@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H](c1ccccc1)[NH+](C)C ZINC001312207094 1069782031 /nfs/dbraw/zinc/78/20/31/1069782031.db2.gz CVZBSUVPMXZDJP-SJCJKPOMSA-N 1 0 454.884 3.892 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(c4cc(C)nc(C(C)C)n4)CC3)nnc2C(C)(C)C)C1 ZINC001307045609 1069782483 /nfs/dbraw/zinc/78/24/83/1069782483.db2.gz GJAPUJPAZNFSMH-OAQYLSRUSA-N 1 0 468.694 3.856 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C)[C@H]2C)C1 ZINC001307046321 1069785491 /nfs/dbraw/zinc/78/54/91/1069785491.db2.gz YDKLQYLZNQXTBU-WOZUAGRISA-N 1 0 476.666 3.553 20 0 JHADRO COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001312220064 1069790554 /nfs/dbraw/zinc/79/05/54/1069790554.db2.gz WXFOPVHZTYUTPD-DYLHXGEVSA-N 1 0 459.631 3.533 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCC(C(=O)Nc4ccc(C)cn4)CC3)nnc2C(C)(C)C)C1 ZINC001307047173 1069788413 /nfs/dbraw/zinc/78/84/13/1069788413.db2.gz QRJMPQGBCPVFTC-FQEVSTJZSA-N 1 0 467.662 3.866 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N3CCC(C)=C(Br)C3)nnc2[C@]2(OCC)CCOC2)CC1 ZINC001307047429 1069788960 /nfs/dbraw/zinc/78/89/60/1069788960.db2.gz SNDLTWSUTPHQAP-QHCPKHFHSA-N 1 0 496.494 3.931 20 0 JHADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1ccncc1OCC(F)(F)F ZINC001312217998 1069788912 /nfs/dbraw/zinc/78/89/12/1069788912.db2.gz CGXWYCXTMUGJSZ-IRXDYDNUSA-N 1 0 450.505 3.979 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN([C@H](C)c4nc(C(C)C)no4)CC3)nnc2C(C)(C)C)C1 ZINC001307047705 1069790570 /nfs/dbraw/zinc/79/05/70/1069790570.db2.gz YRSUIHYFURIGHI-WOJBJXKFSA-N 1 0 472.682 3.697 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](COC(C)C)C2)C1 ZINC001307047771 1069791305 /nfs/dbraw/zinc/79/13/05/1069791305.db2.gz ZQSUNDBRYIBEAY-MYDTUXCISA-N 1 0 477.694 3.559 20 0 JHADRO COC(=O)c1cnc([C@@H]2CCN(C(=O)NC3[C@H](C)C[NH+](Cc4ccccc4)C[C@H]3C)C2)s1 ZINC001312222863 1069791841 /nfs/dbraw/zinc/79/18/41/1069791841.db2.gz SGGSBVJXIHLBIF-ZHALLVOQSA-N 1 0 456.612 3.585 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2Cc2nccn2C(F)F)CC1 ZINC001307048744 1069794831 /nfs/dbraw/zinc/79/48/31/1069794831.db2.gz XWOJOFNEYXZLQK-UHFFFAOYSA-N 1 0 461.536 3.959 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC=CO2)CC1 ZINC001307048361 1069793967 /nfs/dbraw/zinc/79/39/67/1069793967.db2.gz AQJNMDQZDHDRIW-QFIPXVFZSA-N 1 0 487.048 3.865 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCS(=O)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001314201824 1069798377 /nfs/dbraw/zinc/79/83/77/1069798377.db2.gz JYZYSPZCFOPTIQ-REWPJTCUSA-N 1 0 489.686 3.506 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)C)CC1 ZINC001307049894 1069798944 /nfs/dbraw/zinc/79/89/44/1069798944.db2.gz NTQDFTULBWTJBQ-UHFFFAOYSA-N 1 0 461.680 3.513 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C(=O)NC)CC1 ZINC001307049878 1069798961 /nfs/dbraw/zinc/79/89/61/1069798961.db2.gz NIRDASPPUUPUDB-GOSISDBHSA-N 1 0 474.625 3.640 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001307049047 1069796211 /nfs/dbraw/zinc/79/62/11/1069796211.db2.gz HOXXQQHPLLVMCX-XMSQKQJNSA-N 1 0 486.636 3.783 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC001307049785 1069797925 /nfs/dbraw/zinc/79/79/25/1069797925.db2.gz RFYHUTUGARFWEQ-NFBKMPQASA-N 1 0 474.694 3.629 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3OC)n2Cc2ccc(OC)nc2)CC1 ZINC001307049749 1069798120 /nfs/dbraw/zinc/79/81/20/1069798120.db2.gz NGORULXHTVLCMQ-UHFFFAOYSA-N 1 0 450.587 3.716 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(Cl)cc3)n2Cc2cnn(C)c2C)CC1 ZINC001307051495 1069804410 /nfs/dbraw/zinc/80/44/10/1069804410.db2.gz PFLIOLCCTHJVFG-UHFFFAOYSA-N 1 0 472.037 3.911 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 ZINC001307050775 1069801591 /nfs/dbraw/zinc/80/15/91/1069801591.db2.gz GAFUBXHUJRHAES-MRXNPFEDSA-N 1 0 489.974 3.894 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OCC)CCOC3)n2CCc2c(F)cccc2F)CC1 ZINC001307051059 1069802211 /nfs/dbraw/zinc/80/22/11/1069802211.db2.gz VRRNFQFOEQZGRJ-VWLOTQADSA-N 1 0 477.600 3.762 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C)c(C)c3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001307051154 1069802980 /nfs/dbraw/zinc/80/29/80/1069802980.db2.gz JYVLMVCPLUCMIN-AREMUKBSSA-N 1 0 455.647 3.946 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001307051190 1069803624 /nfs/dbraw/zinc/80/36/24/1069803624.db2.gz KXGPMDWRSOISKS-KNQAVFIVSA-N 1 0 459.610 3.858 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2ccc(N(C)C)nc2)cc1 ZINC001314202677 1069803485 /nfs/dbraw/zinc/80/34/85/1069803485.db2.gz YOSGWNXOXPYNOC-OAQYLSRUSA-N 1 0 493.656 3.857 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001307051651 1069805080 /nfs/dbraw/zinc/80/50/80/1069805080.db2.gz RBQZNXZGMZPKOK-PKTZIBPZSA-N 1 0 468.646 3.649 20 0 JHADRO CC[N@H+](CCO)CCNC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC001312246545 1069806302 /nfs/dbraw/zinc/80/63/02/1069806302.db2.gz IFDVUWPJYLTIME-AWEZNQCLSA-N 1 0 455.422 3.555 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2Cc2ccccc2COCC)CC1 ZINC001307052259 1069807414 /nfs/dbraw/zinc/80/74/14/1069807414.db2.gz VKZDHZRLQNCSMQ-UHFFFAOYSA-N 1 0 451.619 3.574 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCOC(F)F)CC1 ZINC001307052213 1069807490 /nfs/dbraw/zinc/80/74/90/1069807490.db2.gz SVUKYSQKSUXOFN-UHFFFAOYSA-N 1 0 475.544 3.534 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cn4ccccc4n3)n2C[C@@](C)(O)[C@H](C)CC)CC1 ZINC001307052890 1069810248 /nfs/dbraw/zinc/81/02/48/1069810248.db2.gz IRDRFUDRAFQCDU-FQRUVTKNSA-N 1 0 467.662 3.624 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001307052923 1069810274 /nfs/dbraw/zinc/81/02/74/1069810274.db2.gz ADNPCOXUYNXNGG-XMMPIXPASA-N 1 0 452.647 3.831 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001307052952 1069810518 /nfs/dbraw/zinc/81/05/18/1069810518.db2.gz AMCQQBBFMOZNHW-HSZRJFAPSA-N 1 0 481.689 3.969 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001307053685 1069812704 /nfs/dbraw/zinc/81/27/04/1069812704.db2.gz JIJPYAZPHBFIHZ-ZWKOTPCHSA-N 1 0 479.551 3.969 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001307053684 1069812749 /nfs/dbraw/zinc/81/27/49/1069812749.db2.gz JIJPYAZPHBFIHZ-ROUUACIJSA-N 1 0 479.551 3.969 20 0 JHADRO CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)C2)nc1C ZINC001312256353 1069814034 /nfs/dbraw/zinc/81/40/34/1069814034.db2.gz VJRBBWOBCPUZPU-DBVUQKKJSA-N 1 0 456.612 3.790 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CCCc2cccc(C)n2)CC1 ZINC001307054148 1069815623 /nfs/dbraw/zinc/81/56/23/1069815623.db2.gz VSVRPPONGQQMEN-UHFFFAOYSA-N 1 0 464.662 3.787 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001307054316 1069816542 /nfs/dbraw/zinc/81/65/42/1069816542.db2.gz IALGXDVIKNKMOC-CTNGQTDRSA-N 1 0 459.038 3.825 20 0 JHADRO CCOc1cccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC001314206430 1069817604 /nfs/dbraw/zinc/81/76/04/1069817604.db2.gz JSOMHWRNWQXSJG-RDCABSMISA-N 1 0 471.646 3.562 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001307055063 1069819041 /nfs/dbraw/zinc/81/90/41/1069819041.db2.gz ONHBWAPDPUWPJG-RJGXRXQPSA-N 1 0 482.673 3.966 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001307055235 1069819972 /nfs/dbraw/zinc/81/99/72/1069819972.db2.gz OBOORMLXDQYFIE-JOCHJYFZSA-N 1 0 489.064 3.594 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001307056347 1069825939 /nfs/dbraw/zinc/82/59/39/1069825939.db2.gz DKNMWNIUNIAILK-GOTSBHOMSA-N 1 0 491.677 3.676 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(CC(C)C)n3CC(C)(C)C[NH+]3CCCC3)CC2)n1 ZINC001314209038 1069827117 /nfs/dbraw/zinc/82/71/17/1069827117.db2.gz RUNNSZIDUHEANH-UHFFFAOYSA-N 1 0 469.678 3.719 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001307056886 1069829749 /nfs/dbraw/zinc/82/97/49/1069829749.db2.gz CSJWTVNWMUIHPD-PZJWPPBQSA-N 1 0 489.690 3.613 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(F)(F)F ZINC001307057106 1069832010 /nfs/dbraw/zinc/83/20/10/1069832010.db2.gz VPRWEIQLQWKWTE-KRWDZBQOSA-N 1 0 473.565 3.612 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(F)(F)F ZINC001307057108 1069832094 /nfs/dbraw/zinc/83/20/94/1069832094.db2.gz VPRWEIQLQWKWTE-QGZVFWFLSA-N 1 0 473.565 3.612 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cscn1 ZINC001307057627 1069834363 /nfs/dbraw/zinc/83/43/63/1069834363.db2.gz XTVCPTZBEPTQOB-HXUWFJFHSA-N 1 0 488.683 3.706 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC001307057887 1069835485 /nfs/dbraw/zinc/83/54/85/1069835485.db2.gz KRQJXUMKHBTLKB-NSQVHMQQSA-N 1 0 473.687 3.981 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307057895 1069837194 /nfs/dbraw/zinc/83/71/94/1069837194.db2.gz GMIRTUFSPLVYSU-NRSPTQNISA-N 1 0 460.667 3.845 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001307059130 1069842958 /nfs/dbraw/zinc/84/29/58/1069842958.db2.gz QQRSAIVVWYNTRE-DHLKQENFSA-N 1 0 495.716 3.906 20 0 JHADRO CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001314214121 1069843076 /nfs/dbraw/zinc/84/30/76/1069843076.db2.gz RBIJVHLBMGCTDX-UHFFFAOYSA-N 1 0 468.646 3.708 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001307059179 1069843417 /nfs/dbraw/zinc/84/34/17/1069843417.db2.gz RCRYARCSEOKYDR-ZEQRLZLVSA-N 1 0 482.673 3.843 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001307059229 1069843702 /nfs/dbraw/zinc/84/37/02/1069843702.db2.gz URJNCMBMLJBUDZ-NHCUHLMSSA-N 1 0 488.627 3.764 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001307059460 1069844813 /nfs/dbraw/zinc/84/48/13/1069844813.db2.gz WYHFJJDYDJZANU-PXDATVDWSA-N 1 0 457.667 3.617 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 ZINC001307059276 1069844947 /nfs/dbraw/zinc/84/49/47/1069844947.db2.gz VRLFGJSQVOZURU-NRFANRHFSA-N 1 0 457.667 3.750 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC=C(Br)C1 ZINC001307059429 1069845043 /nfs/dbraw/zinc/84/50/43/1069845043.db2.gz WREVTLJWPULRHW-PKOBYXMFSA-N 1 0 452.441 3.926 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001307059486 1069845811 /nfs/dbraw/zinc/84/58/11/1069845811.db2.gz XGBRNTWLYYLRKC-VSKRKVRLSA-N 1 0 490.693 3.882 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC[NH+]1CCCCCC1 ZINC001314215199 1069846660 /nfs/dbraw/zinc/84/66/60/1069846660.db2.gz CWKQOAASMXJQTH-SFTDATJTSA-N 1 0 457.619 3.745 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001307059760 1069846604 /nfs/dbraw/zinc/84/66/04/1069846604.db2.gz ZYPXLPIXINSBMI-RBBKRZOGSA-N 1 0 473.065 3.879 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)C[NH+](C)C)CC1=O ZINC001307060046 1069846657 /nfs/dbraw/zinc/84/66/57/1069846657.db2.gz AUTHIIDHQSERHH-LJQANCHMSA-N 1 0 474.625 3.594 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H](CC)c3ccccc3)n2CC[N@@H+]2CCC[C@H]2C)CC1=O ZINC001307060420 1069848331 /nfs/dbraw/zinc/84/83/31/1069848331.db2.gz JEWFRHCJUCAKNF-GGAORHGYSA-N 1 0 452.647 3.753 20 0 JHADRO CCCN1CCCN(c2nnc([C@H](CC)c3ccccc3)n2CC[N@@H+]2CCC[C@H]2C)CC1=O ZINC001307060419 1069848433 /nfs/dbraw/zinc/84/84/33/1069848433.db2.gz JEWFRHCJUCAKNF-FYYLOGMGSA-N 1 0 452.647 3.753 20 0 JHADRO CCOc1ccccc1Cn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001314216594 1069850117 /nfs/dbraw/zinc/85/01/17/1069850117.db2.gz JHABIEVJPYCTMF-AREMUKBSSA-N 1 0 471.646 3.688 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307061724 1069854821 /nfs/dbraw/zinc/85/48/21/1069854821.db2.gz IBTYQFQXNDVQSI-LEWJYISDSA-N 1 0 489.686 3.622 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001307062501 1069857766 /nfs/dbraw/zinc/85/77/66/1069857766.db2.gz JTFXWJYSQLMKKO-LEWJYISDSA-N 1 0 469.634 3.628 20 0 JHADRO CCCN1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1=O ZINC001307062318 1069858362 /nfs/dbraw/zinc/85/83/62/1069858362.db2.gz QVUPXJUHHGTYIR-NRFANRHFSA-N 1 0 468.646 3.523 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001314218665 1069859683 /nfs/dbraw/zinc/85/96/83/1069859683.db2.gz VUGHHWDRAIDIHC-VXKWHMMOSA-N 1 0 485.673 3.973 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[C@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314218706 1069859741 /nfs/dbraw/zinc/85/97/41/1069859741.db2.gz UEJWVBGAPXWQFU-YDIMBITNSA-N 1 0 459.660 3.785 20 0 JHADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCOc1ncccc1C(F)(F)F ZINC001312325112 1069864626 /nfs/dbraw/zinc/86/46/26/1069864626.db2.gz BAHWZPCXVAVZJH-UHFFFAOYSA-N 1 0 451.493 3.822 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+](C(C)C)C(C)C)CC1=O ZINC001307064452 1069867013 /nfs/dbraw/zinc/86/70/13/1069867013.db2.gz PZVYNCVJWOGRBY-UHFFFAOYSA-N 1 0 462.042 3.561 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC(F)(F)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001314221454 1069871982 /nfs/dbraw/zinc/87/19/82/1069871982.db2.gz YRTVNSKQJRQEMK-HXUWFJFHSA-N 1 0 492.615 3.517 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001307066704 1069875614 /nfs/dbraw/zinc/87/56/14/1069875614.db2.gz JSBVFWCLAWKOPO-LEWJYISDSA-N 1 0 478.682 3.772 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001307066901 1069876168 /nfs/dbraw/zinc/87/61/68/1069876168.db2.gz KYPAJHYPQQQCJW-UXHICEINSA-N 1 0 478.682 3.570 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)[C@@H]2C)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001314222419 1069876278 /nfs/dbraw/zinc/87/62/78/1069876278.db2.gz KKVQOFNOFCUXGY-FDFHNCONSA-N 1 0 471.646 3.847 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001307066006 1069873037 /nfs/dbraw/zinc/87/30/37/1069873037.db2.gz HKFCAKWIAQGURV-XRXFAXGQSA-N 1 0 476.666 3.744 20 0 JHADRO CCOc1ccccc1N1CCN(c2nnc(C(C)(C)C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001314221676 1069873552 /nfs/dbraw/zinc/87/35/52/1069873552.db2.gz VWRYIWKBVOXEDO-RUZDIDTESA-N 1 0 472.703 3.738 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1=O ZINC001307066402 1069874668 /nfs/dbraw/zinc/87/46/68/1069874668.db2.gz NONYPTNLNDMQJR-JOCHJYFZSA-N 1 0 482.673 3.770 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001307068607 1069879903 /nfs/dbraw/zinc/87/99/03/1069879903.db2.gz QKYIYCBMQUNPIU-HSZRJFAPSA-N 1 0 486.636 3.617 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@H]1C ZINC001307069208 1069880309 /nfs/dbraw/zinc/88/03/09/1069880309.db2.gz QVBNHWAEPZEEMB-MXEMCNAFSA-N 1 0 476.666 3.538 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCN(c3nc(C)cc(OCC)n3)CC2)nnc1C(C)(C)C ZINC001307069281 1069881548 /nfs/dbraw/zinc/88/15/48/1069881548.db2.gz RWAITXMAKAYMMK-OAQYLSRUSA-N 1 0 484.693 3.664 20 0 JHADRO CCCN1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2C[NH+](CC)CC)CC1=O ZINC001307067699 1069878088 /nfs/dbraw/zinc/87/80/88/1069878088.db2.gz YEBUNYCCHVQHEZ-XMMPIXPASA-N 1 0 482.673 3.859 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nnc1C(C)(C)C ZINC001307070211 1069885584 /nfs/dbraw/zinc/88/55/84/1069885584.db2.gz ZBVPCWSFPMIPLO-UYAOXDASSA-N 1 0 471.646 3.911 20 0 JHADRO CN(C[C@H](O)COCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001312358544 1069884758 /nfs/dbraw/zinc/88/47/58/1069884758.db2.gz XILSICRHVYPXBS-ASDGIDEWSA-N 1 0 451.611 3.506 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc(C(C)(C)C)n3CCC[NH+]3CCC(C)CC3)CC2)n1 ZINC001314225014 1069888729 /nfs/dbraw/zinc/88/87/29/1069888729.db2.gz DFTZOSISHAGVHW-UHFFFAOYSA-N 1 0 484.693 3.603 20 0 JHADRO CC(C)N1C(=O)C[C@@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312366317 1069890651 /nfs/dbraw/zinc/89/06/51/1069890651.db2.gz MQAJQGPRMXYZLI-IRLDBZIGSA-N 1 0 450.986 3.846 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314226117 1069894561 /nfs/dbraw/zinc/89/45/61/1069894561.db2.gz PZEAFSXKMZPINS-ODAXIHTASA-N 1 0 485.673 3.831 20 0 JHADRO C[C@@H](NC(=O)N1CCN(C(=O)OCc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312378602 1069896683 /nfs/dbraw/zinc/89/66/83/1069896683.db2.gz AZMOLLAVLWQIHA-QPPBQGQZSA-N 1 0 450.583 3.561 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1nc(C)cs1 ZINC001314226832 1069898635 /nfs/dbraw/zinc/89/86/35/1069898635.db2.gz XDDKVXGWXJWYCD-UHFFFAOYSA-N 1 0 470.643 3.847 20 0 JHADRO C[C@@H](NC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312383146 1069899227 /nfs/dbraw/zinc/89/92/27/1069899227.db2.gz MVHYQTAHJAIVLF-OJZVVMIASA-N 1 0 456.631 3.986 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1cccnc1OC ZINC001314227627 1069903223 /nfs/dbraw/zinc/90/32/23/1069903223.db2.gz ORXIPAPBXZBTKD-UHFFFAOYSA-N 1 0 480.613 3.628 20 0 JHADRO CCOc1ccnc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)CC2)n1 ZINC001314227863 1069904041 /nfs/dbraw/zinc/90/40/41/1069904041.db2.gz XZRHTYGFBXFFMK-FQEVSTJZSA-N 1 0 498.701 3.746 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc([C@H](C)CC)n3C[C@H](c3ccco3)[NH+](C)C)CC2)n1 ZINC001314228421 1069907067 /nfs/dbraw/zinc/90/70/67/1069907067.db2.gz AUNUVTMDMCLDIV-WOJBJXKFSA-N 1 0 482.633 3.593 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc(-c4ccccc4C)n3CC[N@H+](CC)C(C)C)CC2)n1 ZINC001314228825 1069908297 /nfs/dbraw/zinc/90/82/97/1069908297.db2.gz IELSJPYFEWAOTC-UHFFFAOYSA-N 1 0 492.672 3.889 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc(C(C)C)n3CCCC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC001314229022 1069909959 /nfs/dbraw/zinc/90/99/59/1069909959.db2.gz LQRIWGJCTGPCNG-JOCHJYFZSA-N 1 0 484.693 3.962 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@@H]1CCC[N@@H+]1CC ZINC001314229557 1069912654 /nfs/dbraw/zinc/91/26/54/1069912654.db2.gz VNFRAMXCUUZULL-PMACEKPBSA-N 1 0 457.619 3.744 20 0 JHADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312412284 1069918114 /nfs/dbraw/zinc/91/81/14/1069918114.db2.gz KMMVAAFMZPFUQS-ZWOKBUDYSA-N 1 0 454.974 3.782 20 0 JHADRO CCOc1ncccc1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001314231971 1069919907 /nfs/dbraw/zinc/91/99/07/1069919907.db2.gz PMBDXPFKLRRHKC-FQEVSTJZSA-N 1 0 464.614 3.506 20 0 JHADRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001312419239 1069923823 /nfs/dbraw/zinc/92/38/23/1069923823.db2.gz SFQNLMDGMNPJMP-BPUDTRNYSA-N 1 0 455.624 3.847 20 0 JHADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001312424419 1069927419 /nfs/dbraw/zinc/92/74/19/1069927419.db2.gz ONRFWCWRUPWOLN-AWEZNQCLSA-N 1 0 452.315 3.972 20 0 JHADRO 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3.661 20 0 JHADRO CCO[C@H]1C[C@H](N(C)c2nnc(-c3ccc(C)o3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC001314246635 1069963623 /nfs/dbraw/zinc/96/36/23/1069963623.db2.gz VMIMYVKKIUZGOF-SFTDATJTSA-N 1 0 458.651 3.512 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1COc2cc(F)cc(F)c21 ZINC001312485389 1069965105 /nfs/dbraw/zinc/96/51/05/1069965105.db2.gz KJTSSCHJCZDGPY-KRWDZBQOSA-N 1 0 454.315 3.934 20 0 JHADRO C[C@@H](NC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1)C1=CC[N@H+](C)CC1 ZINC001312481839 1069962073 /nfs/dbraw/zinc/96/20/73/1069962073.db2.gz RXDRYNSIOZFAPZ-OAHLLOKOSA-N 1 0 454.384 3.630 20 0 JHADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3nc(Cc4ccc(F)cc4)nc3Cl)CC2)cc1 ZINC001307398906 1069969445 /nfs/dbraw/zinc/96/94/45/1069969445.db2.gz DDAATVIFYLKTED-UHFFFAOYSA-N 1 0 455.965 3.704 20 0 JHADRO CCO[C@H]1C[C@H](N(C)c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCCCC2)C1(C)C ZINC001314249865 1069974204 /nfs/dbraw/zinc/97/42/04/1069974204.db2.gz ZCCXBLCCKBPPHE-PMACEKPBSA-N 1 0 483.661 3.830 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1(C)C ZINC001314250629 1069977134 /nfs/dbraw/zinc/97/71/34/1069977134.db2.gz CETPIFVVGDYGSQ-KNOXWWKRSA-N 1 0 474.694 3.627 20 0 JHADRO COCCOc1cccc(CNC(=O)C[NH+]2CCC(c3c[nH]c4ccc(OC)cc43)CC2)c1 ZINC001307430023 1069981477 /nfs/dbraw/zinc/98/14/77/1069981477.db2.gz QDHJBHNWYPJBOA-UHFFFAOYSA-N 1 0 451.567 3.698 20 0 JHADRO CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC001312512766 1069981764 /nfs/dbraw/zinc/98/17/64/1069981764.db2.gz UTOIDXRUSREPGP-INIZCTEOSA-N 1 0 454.409 3.805 20 0 JHADRO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@H+](C)[C@@H]3CCC[C@H](C)C3)C2=O)cc1 ZINC001307433609 1069982956 /nfs/dbraw/zinc/98/29/56/1069982956.db2.gz KRCGJIHNGHOABR-PGQAYXPYSA-N 1 0 459.612 3.748 20 0 JHADRO CC1([NH+]2CCCC2)CCC(NC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC001312517436 1069984868 /nfs/dbraw/zinc/98/48/68/1069984868.db2.gz MSOZFXPHIFZBCW-OJCRERRGSA-N 1 0 452.521 3.907 20 0 JHADRO O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001312518533 1069986263 /nfs/dbraw/zinc/98/62/63/1069986263.db2.gz JAKPHZREGCCZKZ-LJQANCHMSA-N 1 0 452.521 3.718 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC001307447824 1069988529 /nfs/dbraw/zinc/98/85/29/1069988529.db2.gz FQFBKLJXYIFNEQ-JKSUJKDBSA-N 1 0 478.080 3.791 20 0 JHADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC001307450159 1069990060 /nfs/dbraw/zinc/99/00/60/1069990060.db2.gz GHGDBIXCJLNLMR-CBGDNZLLSA-N 1 0 458.872 3.800 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cnccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1(C)C ZINC001314255986 1069990644 /nfs/dbraw/zinc/99/06/44/1069990644.db2.gz JRMHCMWLFHHYOL-FDFHNCONSA-N 1 0 467.593 3.817 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(C3CCCC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1(C)C ZINC001314256044 1069991437 /nfs/dbraw/zinc/99/14/37/1069991437.db2.gz WWNSESFSUZKBPX-BHIFYINESA-N 1 0 474.694 3.518 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC001307460451 1069997696 /nfs/dbraw/zinc/99/76/96/1069997696.db2.gz OKRDPWXLUZCCSH-HXUWFJFHSA-N 1 0 454.640 3.651 20 0 JHADRO CN(C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1)C(=O)OC(C)(C)C ZINC001307463860 1070000696 /nfs/dbraw/zinc/00/06/96/1070000696.db2.gz XRYKQTJYYQCYAR-MAUKXSAKSA-N 1 0 452.393 3.743 20 0 JHADRO O=C(C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC001307469234 1070003110 /nfs/dbraw/zinc/00/31/10/1070003110.db2.gz HRTZNCNMXGQIDZ-ATOQVSERSA-N 1 0 457.571 3.801 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001314263389 1070007435 /nfs/dbraw/zinc/00/74/35/1070007435.db2.gz AAFFBFXQPUOTRZ-HXUWFJFHSA-N 1 0 479.572 3.663 20 0 JHADRO COc1ccc(C)cc1CN1CCN(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC001312556757 1070011641 /nfs/dbraw/zinc/01/16/41/1070011641.db2.gz GHNRMGZSJXVLPB-RUZDIDTESA-N 1 0 452.643 3.987 20 0 JHADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC001312557264 1070012950 /nfs/dbraw/zinc/01/29/50/1070012950.db2.gz VMVZCAUVPGJTKR-CLCZQPDDSA-N 1 0 451.611 3.649 20 0 JHADRO Cc1ccc(C(=O)N2CCN(C(=O)NC[C@@H](C3CC3)[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC001312559083 1070013651 /nfs/dbraw/zinc/01/36/51/1070013651.db2.gz LGHPRHBFAXOUPE-DEOSSOPVSA-N 1 0 452.574 3.512 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC001312560706 1070014948 /nfs/dbraw/zinc/01/49/48/1070014948.db2.gz VPUOODSTUFWSAR-JOCHJYFZSA-N 1 0 456.631 3.940 20 0 JHADRO C[C@@H]1CCN(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CC[N@@H+]1Cc1ccccc1 ZINC001307500111 1070018883 /nfs/dbraw/zinc/01/88/83/1070018883.db2.gz CIGXWUBUYHTMSO-GOSISDBHSA-N 1 0 453.587 3.704 20 0 JHADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCOc2ccc(C(=O)OC)cc2Cl)C1 ZINC001307499995 1070019114 /nfs/dbraw/zinc/01/91/14/1070019114.db2.gz PPYNRGZBKUSHJC-OAHLLOKOSA-N 1 0 450.885 3.628 20 0 JHADRO CC[C@@H]1CN(C(=O)NC[C@@H]2CC(c3ccc(OC)c(C)c3)=NO2)CC[N@@H+]1Cc1ccccc1 ZINC001312573378 1070022452 /nfs/dbraw/zinc/02/24/52/1070022452.db2.gz VVAQFGOCBYTTIF-PKTZIBPZSA-N 1 0 450.583 3.803 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001314270873 1070024850 /nfs/dbraw/zinc/02/48/50/1070024850.db2.gz BHDKXMBKINFCQM-MZKRTTBSSA-N 1 0 457.619 3.772 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001314270838 1070024858 /nfs/dbraw/zinc/02/48/58/1070024858.db2.gz KHUQNNUBOBMNDX-JOCHJYFZSA-N 1 0 485.032 3.988 20 0 JHADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1NS(C)(=O)=O ZINC001312577778 1070025199 /nfs/dbraw/zinc/02/51/99/1070025199.db2.gz YHCXLLPPGCWSRX-AVRDEDQJSA-N 1 0 458.628 3.719 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](CC)C2CC2)C1 ZINC001314270998 1070025475 /nfs/dbraw/zinc/02/54/75/1070025475.db2.gz CGAXHHBRKRVRBC-RBBKRZOGSA-N 1 0 490.693 3.882 20 0 JHADRO CCN(CC(=O)Nc1c(C)cccc1C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001307535653 1070039806 /nfs/dbraw/zinc/03/98/06/1070039806.db2.gz NNIFWDZBCXFJRN-UHFFFAOYSA-N 1 0 450.627 3.653 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001314277439 1070037969 /nfs/dbraw/zinc/03/79/69/1070037969.db2.gz TZPYZGPOIMUVOO-BHIFYINESA-N 1 0 490.693 3.882 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC001314277839 1070038390 /nfs/dbraw/zinc/03/83/90/1070038390.db2.gz QOLWGXNJJHPPLF-LADGPHEKSA-N 1 0 470.662 3.791 20 0 JHADRO CCOCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001314281807 1070047944 /nfs/dbraw/zinc/04/79/44/1070047944.db2.gz YIFWWAUYUQUYRI-QFIPXVFZSA-N 1 0 468.646 3.884 20 0 JHADRO CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001307555059 1070049490 /nfs/dbraw/zinc/04/94/90/1070049490.db2.gz MCOGQMLSLFCANS-FQEVSTJZSA-N 1 0 452.530 3.983 20 0 JHADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001312625355 1070049647 /nfs/dbraw/zinc/04/96/47/1070049647.db2.gz BOXWLTLETBIKNL-QFIPXVFZSA-N 1 0 457.018 3.568 20 0 JHADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC001312630215 1070052608 /nfs/dbraw/zinc/05/26/08/1070052608.db2.gz ZDQVNZAQWDQVRC-UYAOXDASSA-N 1 0 458.404 3.998 20 0 JHADRO CCOCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001314284588 1070055431 /nfs/dbraw/zinc/05/54/31/1070055431.db2.gz GKEMDZCQFNVLPP-FQEVSTJZSA-N 1 0 492.064 3.971 20 0 JHADRO CCOC(=O)Cc1csc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)n1 ZINC001307575494 1070060778 /nfs/dbraw/zinc/06/07/78/1070060778.db2.gz ZYNJYRNTOUZSPD-UHFFFAOYSA-N 1 0 452.374 3.619 20 0 JHADRO CCOCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001314286077 1070059128 /nfs/dbraw/zinc/05/91/28/1070059128.db2.gz UJSUFUSJMDLMQN-HXUWFJFHSA-N 1 0 473.637 3.760 20 0 JHADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001307572571 1070059420 /nfs/dbraw/zinc/05/94/20/1070059420.db2.gz BSRKNNKUNOJTNC-XQTRSNPVSA-N 1 0 453.549 3.504 20 0 JHADRO COCC[N@H+](C)CCCC1CCN(CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC001307592343 1070069336 /nfs/dbraw/zinc/06/93/36/1070069336.db2.gz ZQUWYYXVWGBLOE-UHFFFAOYSA-N 1 0 455.525 3.591 20 0 JHADRO CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001307602011 1070075647 /nfs/dbraw/zinc/07/56/47/1070075647.db2.gz HEUQZZAUAQCHIU-PMVMPFDFSA-N 1 0 459.631 3.758 20 0 JHADRO CCOCc1nnc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314296253 1070079601 /nfs/dbraw/zinc/07/96/01/1070079601.db2.gz BCJYZIMQXZXYHU-PSTIOWGYSA-N 1 0 461.676 3.871 20 0 JHADRO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)[C@H]2CCCC[C@@H]12 ZINC001307604893 1070078137 /nfs/dbraw/zinc/07/81/37/1070078137.db2.gz VOMOTJRJMIKGBI-YGOYIFOWSA-N 1 0 455.624 3.956 20 0 JHADRO CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)ccc1C ZINC001307611285 1070080790 /nfs/dbraw/zinc/08/07/90/1070080790.db2.gz MTPDRABYRLVBHK-HXUWFJFHSA-N 1 0 457.518 3.847 20 0 JHADRO CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001307622527 1070085101 /nfs/dbraw/zinc/08/51/01/1070085101.db2.gz QGROWICJXHDFFK-UHFFFAOYSA-N 1 0 459.631 3.856 20 0 JHADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001312698056 1070085860 /nfs/dbraw/zinc/08/58/60/1070085860.db2.gz NXTNDWMWKSMRDW-SDHOMARFSA-N 1 0 450.627 3.549 20 0 JHADRO C[C@H]([NH2+]CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC001307625715 1070087050 /nfs/dbraw/zinc/08/70/50/1070087050.db2.gz SPWNZAMREZNBPI-NRFANRHFSA-N 1 0 457.574 3.793 20 0 JHADRO CCOCc1nnc(N(C)Cc2ccoc2C)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001314302108 1070087221 /nfs/dbraw/zinc/08/72/21/1070087221.db2.gz OPRAXINVZIPYNX-FQEVSTJZSA-N 1 0 452.603 3.563 20 0 JHADRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH2+]C[C@@H]2COC3(CCCCC3)O2)c2ccccc2)c(C)c1 ZINC001307626355 1070087601 /nfs/dbraw/zinc/08/76/01/1070087601.db2.gz JGRBZASXFPCCLB-DHIUTWEWSA-N 1 0 458.624 3.988 20 0 JHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC001307626863 1070087657 /nfs/dbraw/zinc/08/76/57/1070087657.db2.gz ODTXBXDTQCOKBR-LSDHHAIUSA-N 1 0 457.456 3.916 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccc2ccccc2c1 ZINC001307630113 1070089857 /nfs/dbraw/zinc/08/98/57/1070089857.db2.gz SAKSDFDFPNCXGR-FQEVSTJZSA-N 1 0 454.571 3.716 20 0 JHADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccc(OCc2cccnc2)cc1 ZINC001307631337 1070090542 /nfs/dbraw/zinc/09/05/42/1070090542.db2.gz PYTZMSDDRCDLCK-HXUWFJFHSA-N 1 0 458.562 3.754 20 0 JHADRO O=C(Nc1ccccc1O)C1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC001307652435 1070102810 /nfs/dbraw/zinc/10/28/10/1070102810.db2.gz VQIACSLRKKHJMI-LJQANCHMSA-N 1 0 458.356 3.759 20 0 JHADRO COCc1cccc(OCC2(C[NH+]3CCN(CC(=O)Nc4ccccc4F)CC3)CCC2)c1 ZINC001307652208 1070102825 /nfs/dbraw/zinc/10/28/25/1070102825.db2.gz QGOPENZMSUJNMY-UHFFFAOYSA-N 1 0 455.574 3.778 20 0 JHADRO CCOCc1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001314320335 1070104747 /nfs/dbraw/zinc/10/47/47/1070104747.db2.gz CKKUJDHMFRGOJG-UXHICEINSA-N 1 0 456.635 3.888 20 0 JHADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC001307656317 1070106452 /nfs/dbraw/zinc/10/64/52/1070106452.db2.gz DEXAZSLZQJYXOJ-ROUUACIJSA-N 1 0 452.990 3.605 20 0 JHADRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)nn1 ZINC001307658765 1070107247 /nfs/dbraw/zinc/10/72/47/1070107247.db2.gz DTLNAHUPZAETFG-HNNXBMFYSA-N 1 0 451.474 3.962 20 0 JHADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C[C@@H]1[NH+]1CCCC1 ZINC001307661932 1070108782 /nfs/dbraw/zinc/10/87/82/1070108782.db2.gz LDMVINKQZXOIKQ-LKUPVBHCSA-N 1 0 458.653 3.839 20 0 JHADRO CSCC1CCC(NC(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001312762493 1070110024 /nfs/dbraw/zinc/11/00/24/1070110024.db2.gz ZAYWMARWUPCSFM-UHFFFAOYSA-N 1 0 456.697 3.930 20 0 JHADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)s1 ZINC001307668372 1070112862 /nfs/dbraw/zinc/11/28/62/1070112862.db2.gz RZQURSCNQRNUSP-CYBMUJFWSA-N 1 0 450.413 3.985 20 0 JHADRO CC(=O)NCCN(Cc1ccsc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001312769756 1070113029 /nfs/dbraw/zinc/11/30/29/1070113029.db2.gz VMERVOOAUULXDQ-CWAQXLGLSA-N 1 0 454.640 3.982 20 0 JHADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n(-c2ccc(F)cc2)n1 ZINC001307669489 1070113839 /nfs/dbraw/zinc/11/38/39/1070113839.db2.gz HCQVNXWHLBWDOT-ROUUACIJSA-N 1 0 459.566 3.884 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC001312776036 1070116044 /nfs/dbraw/zinc/11/60/44/1070116044.db2.gz LFTLSFBOGGWIAB-VQTJNVASSA-N 1 0 466.420 3.613 20 0 JHADRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cc1 ZINC001307681862 1070122931 /nfs/dbraw/zinc/12/29/31/1070122931.db2.gz AXOMDMXVDXGXGH-HXUWFJFHSA-N 1 0 453.402 3.952 20 0 JHADRO CC(C)[C@](C)([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cc1 ZINC001307681861 1070122949 /nfs/dbraw/zinc/12/29/49/1070122949.db2.gz AXOMDMXVDXGXGH-FQEVSTJZSA-N 1 0 453.402 3.952 20 0 JHADRO CC(C)(C)OC(=O)NC1(C)CC[NH+](C[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 ZINC001307691315 1070128246 /nfs/dbraw/zinc/12/82/46/1070128246.db2.gz ZUWSHPKNFYYUEC-KOSHJBKYSA-N 1 0 453.624 3.782 20 0 JHADRO CC(C)(C)OC(=O)NC1(C)CC[NH+](C[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 ZINC001307691320 1070128371 /nfs/dbraw/zinc/12/83/71/1070128371.db2.gz ZUWSHPKNFYYUEC-UUOWRZLLSA-N 1 0 453.624 3.782 20 0 JHADRO C[C@H](NC(=O)C[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC001307691547 1070129331 /nfs/dbraw/zinc/12/93/31/1070129331.db2.gz GMPJPLOGERKZSR-KSSFIOAISA-N 1 0 459.509 3.998 20 0 JHADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC001312798028 1070127480 /nfs/dbraw/zinc/12/74/80/1070127480.db2.gz PUMPRFYERXIWLH-QGZVFWFLSA-N 1 0 458.990 3.926 20 0 JHADRO CCOCc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001314333460 1070127900 /nfs/dbraw/zinc/12/79/00/1070127900.db2.gz CTKNLOJUBNJFOP-PZJWPPBQSA-N 1 0 478.682 3.819 20 0 JHADRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccc(OCc2nccn2C)cc1 ZINC001307693142 1070130371 /nfs/dbraw/zinc/13/03/71/1070130371.db2.gz BUOQJHJFLSVTCA-LJQANCHMSA-N 1 0 454.596 3.732 20 0 JHADRO CC[C@@](C)(O)C[N@H+](CC(=O)Nc1ccc(I)cc1)Cc1ccccc1 ZINC001307694233 1070130789 /nfs/dbraw/zinc/13/07/89/1070130789.db2.gz YUGOGNYGWQQJEL-HXUWFJFHSA-N 1 0 452.336 3.893 20 0 JHADRO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCN(Cc3ccco3)CC2)cc1 ZINC001307700286 1070135150 /nfs/dbraw/zinc/13/51/50/1070135150.db2.gz QHSTYBVNLYBFFX-JWQCQUIFSA-N 1 0 455.599 3.692 20 0 JHADRO CN(CCCOc1ccc(F)cc1)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001307705154 1070136793 /nfs/dbraw/zinc/13/67/93/1070136793.db2.gz GBWZINZJNPMPLD-WIYYLYMNSA-N 1 0 451.583 3.726 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@H](C)C1 ZINC001307707962 1070137914 /nfs/dbraw/zinc/13/79/14/1070137914.db2.gz RHYCBKURIALTLY-COPCDDAFSA-N 1 0 455.565 3.923 20 0 JHADRO COc1cc(OC)cc(N2CCCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)CC2)c1 ZINC001312815066 1070138784 /nfs/dbraw/zinc/13/87/84/1070138784.db2.gz KHBHHSHRLMDMBM-NLFFAJNJSA-N 1 0 452.599 3.589 20 0 JHADRO CC(=O)NCC[N@H+](CCC(=O)Nc1cc(F)ccc1C)Cc1ccc(Br)s1 ZINC001307714011 1070140592 /nfs/dbraw/zinc/14/05/92/1070140592.db2.gz ZTMUZSBBTRTRLW-UHFFFAOYSA-N 1 0 456.381 3.925 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1ccc2c(c1)OCCCO2 ZINC001314341788 1070141882 /nfs/dbraw/zinc/14/18/82/1070141882.db2.gz KTTAWSBPCMVHLP-UHFFFAOYSA-N 1 0 457.619 3.581 20 0 JHADRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)cc1S(=O)(=O)N(CC)CC ZINC001307716766 1070142293 /nfs/dbraw/zinc/14/22/93/1070142293.db2.gz DKMNEDCZMNKCDM-GOSISDBHSA-N 1 0 453.649 3.812 20 0 JHADRO CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001312825083 1070143828 /nfs/dbraw/zinc/14/38/28/1070143828.db2.gz OFDWZZVTQVKXRP-RTWAWAEBSA-N 1 0 456.660 3.778 20 0 JHADRO O=C(NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001312824036 1070143843 /nfs/dbraw/zinc/14/38/43/1070143843.db2.gz RDGLJJOQIKNFSW-SMIHKQSGSA-N 1 0 458.002 3.839 20 0 JHADRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCC(=O)Nc2ccc(OCc3ccccc3)cc2)O1 ZINC001307719920 1070145155 /nfs/dbraw/zinc/14/51/55/1070145155.db2.gz QVBSFTDWGSBXOS-WJXFIBLPSA-N 1 0 452.551 3.778 20 0 JHADRO CCOCc1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001314344286 1070148337 /nfs/dbraw/zinc/14/83/37/1070148337.db2.gz UPGSEIZVXGLKDH-OZXSUGGESA-N 1 0 455.647 3.857 20 0 JHADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001312841318 1070150417 /nfs/dbraw/zinc/15/04/17/1070150417.db2.gz OJVYMUBBVMPUQY-XPWALMASSA-N 1 0 458.647 3.838 20 0 JHADRO C[N@H+](CCNC(=O)C1CCN(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1)Cc1ccccc1 ZINC001312851179 1070155259 /nfs/dbraw/zinc/15/52/59/1070155259.db2.gz YIGTYUSKSWMULW-XZOQPEGZSA-N 1 0 472.674 3.638 20 0 JHADRO CCOCc1nnc(N2CCC(Oc3ccc(C)cc3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314348077 1070156729 /nfs/dbraw/zinc/15/67/29/1070156729.db2.gz BJDGBDIUSRMMOX-FGZHOGPDSA-N 1 0 471.646 3.670 20 0 JHADRO OC[C@@H]([NH2+]C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCOCC1 ZINC001307732861 1070155893 /nfs/dbraw/zinc/15/58/93/1070155893.db2.gz SDEUYPQYCOZULS-FGZHOGPDSA-N 1 0 454.394 3.837 20 0 JHADRO Cc1ccc(CNC(=O)NCC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)o1 ZINC001312851632 1070155940 /nfs/dbraw/zinc/15/59/40/1070155940.db2.gz TYFKABQSTJEJPL-UHFFFAOYSA-N 1 0 456.587 3.947 20 0 JHADRO CCOCc1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001314347905 1070156059 /nfs/dbraw/zinc/15/60/59/1070156059.db2.gz VYUPIOXUOODDMR-HSZRJFAPSA-N 1 0 468.646 3.912 20 0 JHADRO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001307740404 1070160492 /nfs/dbraw/zinc/16/04/92/1070160492.db2.gz GUUDKAFEDCAMIR-ZWKOTPCHSA-N 1 0 453.564 3.591 20 0 JHADRO CC(C)c1ccc(CN2CCN(C(=O)C[NH2+]C3(c4ccc(F)cc4)CCOCC3)CC2)cc1 ZINC001307735249 1070157877 /nfs/dbraw/zinc/15/78/77/1070157877.db2.gz DRXZMIZPSXPVOG-UHFFFAOYSA-N 1 0 453.602 3.889 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC001312885076 1070167260 /nfs/dbraw/zinc/16/72/60/1070167260.db2.gz JMEXWRFJYMHKPD-YTFSRNRJSA-N 1 0 456.656 3.953 20 0 JHADRO C[C@@H](c1ccccc1)[N@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)C1CC1 ZINC001307758499 1070169328 /nfs/dbraw/zinc/16/93/28/1070169328.db2.gz QYBIJRJCXGRRHR-FQEVSTJZSA-N 1 0 455.624 3.703 20 0 JHADRO NC(=O)CC[N@H+](CC1CCN(C(=O)OCc2ccccc2)CC1)[C@@H]1CCOc2ccccc21 ZINC001307770696 1070176067 /nfs/dbraw/zinc/17/60/67/1070176067.db2.gz SNYIEDLSKXEALL-HSZRJFAPSA-N 1 0 451.567 3.736 20 0 JHADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1(C(=O)OC(C)(C)C)CCOCC1 ZINC001312909874 1070176708 /nfs/dbraw/zinc/17/67/08/1070176708.db2.gz KRQAWPZSLRKDCY-JOCHJYFZSA-N 1 0 459.631 3.679 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314356243 1070176830 /nfs/dbraw/zinc/17/68/30/1070176830.db2.gz SJOVKFXIKSNDJS-BGYRXZFFSA-N 1 0 471.646 3.582 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC001307776867 1070179511 /nfs/dbraw/zinc/17/95/11/1070179511.db2.gz VAEAPNYJTVAXKR-AQNXPRMDSA-N 1 0 469.420 3.877 20 0 JHADRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C[C@H]1OCc1ccccc1 ZINC001307777055 1070179594 /nfs/dbraw/zinc/17/95/94/1070179594.db2.gz DIXAKBYYEAYVOS-RTBURBONSA-N 1 0 452.523 3.595 20 0 JHADRO COc1cccc(NC(=O)C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)c1 ZINC001307786581 1070181973 /nfs/dbraw/zinc/18/19/73/1070181973.db2.gz CMDORTQAPGWNNJ-MRXNPFEDSA-N 1 0 450.320 3.803 20 0 JHADRO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC001307791860 1070183807 /nfs/dbraw/zinc/18/38/07/1070183807.db2.gz UCNMJIGZMZDFJA-JOCHJYFZSA-N 1 0 452.020 3.776 20 0 JHADRO C[C@@H](NC(=O)NCc1ccnc(N2CCSCC2)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312926679 1070184250 /nfs/dbraw/zinc/18/42/50/1070184250.db2.gz PIVPMEZUIXQDRU-NZSAHSFTSA-N 1 0 462.660 3.827 20 0 JHADRO C[C@H](NC(=O)NCc1ccnc(N2CCSCC2)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312926682 1070184283 /nfs/dbraw/zinc/18/42/83/1070184283.db2.gz PIVPMEZUIXQDRU-YTQUADARSA-N 1 0 462.660 3.827 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](C[C@H](O)c3cc(Br)no3)C2)C1 ZINC001307796317 1070185475 /nfs/dbraw/zinc/18/54/75/1070185475.db2.gz GFSMFONEWKZBMZ-JYJNAYRXSA-N 1 0 458.397 3.830 20 0 JHADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC001307800223 1070187910 /nfs/dbraw/zinc/18/79/10/1070187910.db2.gz TYDBZRGJMSKHSO-MSOLQXFVSA-N 1 0 450.539 3.838 20 0 JHADRO CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001312932959 1070187265 /nfs/dbraw/zinc/18/72/65/1070187265.db2.gz ORHGNXGLLRFKIW-DHIUTWEWSA-N 1 0 456.612 3.646 20 0 JHADRO CCOCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001314366383 1070198120 /nfs/dbraw/zinc/19/81/20/1070198120.db2.gz JFLARERRHLSPLB-HKBOAZHASA-N 1 0 476.666 3.525 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314365534 1070195690 /nfs/dbraw/zinc/19/56/90/1070195690.db2.gz BGQLEZWLFPYAPQ-GOSISDBHSA-N 1 0 469.556 3.746 20 0 JHADRO CC[N@H+](CCCNC(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC001312964299 1070201954 /nfs/dbraw/zinc/20/19/54/1070201954.db2.gz PDXNTHRNCZSOBQ-HSZRJFAPSA-N 1 0 451.055 3.745 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001314368190 1070202571 /nfs/dbraw/zinc/20/25/71/1070202571.db2.gz ZQSSTWPIVCOEQC-FQEVSTJZSA-N 1 0 465.708 3.960 20 0 JHADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001312971701 1070204312 /nfs/dbraw/zinc/20/43/12/1070204312.db2.gz AZSROJNIQTWHOI-KNQAVFIVSA-N 1 0 459.635 3.628 20 0 JHADRO O[C@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1cc(Br)no1 ZINC001307831138 1070204817 /nfs/dbraw/zinc/20/48/17/1070204817.db2.gz SCCCMVLDFUOXGI-XUVXKRRUSA-N 1 0 460.347 3.867 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CCc1ccc(NC(C)=O)cc1 ZINC001314369002 1070205083 /nfs/dbraw/zinc/20/50/83/1070205083.db2.gz YNKLQITYOYZIQW-DEOSSOPVSA-N 1 0 482.673 3.964 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1(C)C ZINC001307843631 1070209078 /nfs/dbraw/zinc/20/90/78/1070209078.db2.gz HVRCPEFTNZYJLH-QGZVFWFLSA-N 1 0 459.509 3.622 20 0 JHADRO NC(=O)[C@@H]([NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1ccc(Br)cc1 ZINC001307837460 1070205648 /nfs/dbraw/zinc/20/56/48/1070205648.db2.gz VWLSIHIWDQBBTD-KSZLIROESA-N 1 0 456.306 3.595 20 0 JHADRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)C1 ZINC001312987994 1070209113 /nfs/dbraw/zinc/20/91/13/1070209113.db2.gz JLNLUJBFYKNSHH-OIBXWCBGSA-N 1 0 474.646 3.819 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314370084 1070206557 /nfs/dbraw/zinc/20/65/57/1070206557.db2.gz VDXRXWBTXNTEIK-DLBZAZTESA-N 1 0 481.523 3.767 20 0 JHADRO CC[NH+]1CCC(N2CCCN(Cc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)CC2)CC1 ZINC001307851594 1070211586 /nfs/dbraw/zinc/21/15/86/1070211586.db2.gz VBLAHSBJHIEXGL-UHFFFAOYSA-N 1 0 455.668 3.820 20 0 JHADRO CCOCc1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001314375092 1070213911 /nfs/dbraw/zinc/21/39/11/1070213911.db2.gz PBDVNOHOIXMNGN-QHCPKHFHSA-N 1 0 481.620 3.677 20 0 JHADRO CCOCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001314375918 1070215499 /nfs/dbraw/zinc/21/54/99/1070215499.db2.gz VXXBHEVEXQHQBM-UHFFFAOYSA-N 1 0 455.525 3.876 20 0 JHADRO CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001313004098 1070218580 /nfs/dbraw/zinc/21/85/80/1070218580.db2.gz TZXKWXLDDGPIDQ-INIZCTEOSA-N 1 0 456.425 3.613 20 0 JHADRO CC(C)(C)OC(=O)[C@@H]1C[N@@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)C[C@H]1c1ccccc1 ZINC001307877098 1070219886 /nfs/dbraw/zinc/21/98/86/1070219886.db2.gz LBQACARRKDYYDS-GQNXPXPTSA-N 1 0 460.615 3.804 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001314382670 1070226326 /nfs/dbraw/zinc/22/63/26/1070226326.db2.gz STYJSAFUVGMUQT-UHFFFAOYSA-N 1 0 488.702 3.659 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314382985 1070226334 /nfs/dbraw/zinc/22/63/34/1070226334.db2.gz IVDIPRSNNCKZCW-RBISFHTESA-N 1 0 496.700 3.525 20 0 JHADRO CNC(=O)c1cc(O[C@@H]2CCC[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)ccn1 ZINC001307891812 1070227683 /nfs/dbraw/zinc/22/76/83/1070227683.db2.gz XFTWPDCBIUTKSE-MRXNPFEDSA-N 1 0 451.354 3.620 20 0 JHADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1 ZINC001313038790 1070230468 /nfs/dbraw/zinc/23/04/68/1070230468.db2.gz BYUIQPCZMRNNDG-JWQCQUIFSA-N 1 0 450.627 3.823 20 0 JHADRO CCOCc1nnc(N2CCN(c3cccc(C)c3C)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314388121 1070237738 /nfs/dbraw/zinc/23/77/38/1070237738.db2.gz FVOLPDQXJYKWNG-UNMCSNQZSA-N 1 0 454.663 3.878 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001314390055 1070243140 /nfs/dbraw/zinc/24/31/40/1070243140.db2.gz HYOBPGUKUXAFRK-UHFFFAOYSA-N 1 0 478.037 3.988 20 0 JHADRO CCOCc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001314388777 1070240206 /nfs/dbraw/zinc/24/02/06/1070240206.db2.gz LPFUESYFICVSAA-MOPGFXCFSA-N 1 0 460.589 3.542 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001314390049 1070243330 /nfs/dbraw/zinc/24/33/30/1070243330.db2.gz HTIKYPRCIYNNPN-PGRDOPGGSA-N 1 0 476.616 3.706 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+][C@@H]2C[C@H]3CCCC[C@H]3NC2=O)cc1 ZINC001307919128 1070241078 /nfs/dbraw/zinc/24/10/78/1070241078.db2.gz PCNZQHGFKSYNQT-FHGIMWBPSA-N 1 0 457.615 3.825 20 0 JHADRO CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001313090805 1070247671 /nfs/dbraw/zinc/24/76/71/1070247671.db2.gz PRBFXGSJHZEHAK-QFIPXVFZSA-N 1 0 452.603 3.559 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001314390644 1070244082 /nfs/dbraw/zinc/24/40/82/1070244082.db2.gz MXZWEKYBPIJSFP-FPOVZHCZSA-N 1 0 476.666 3.525 20 0 JHADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC001307923118 1070245070 /nfs/dbraw/zinc/24/50/70/1070245070.db2.gz DDNHQTHSCRCPLR-HXUWFJFHSA-N 1 0 458.603 3.943 20 0 JHADRO CCOCc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001314396263 1070255156 /nfs/dbraw/zinc/25/51/56/1070255156.db2.gz JFZHCHNPGYDTCQ-NRFANRHFSA-N 1 0 489.734 3.765 20 0 JHADRO CC(C)(C)c1ncc2c(n1)CCN(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C2 ZINC001307950356 1070255725 /nfs/dbraw/zinc/25/57/25/1070255725.db2.gz FYQUJSYJQMRPKP-QFIPXVFZSA-N 1 0 456.034 3.739 20 0 JHADRO CCOCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001314399569 1070259499 /nfs/dbraw/zinc/25/94/99/1070259499.db2.gz YZUKWUDQNUISTG-BHDDXSALSA-N 1 0 472.653 3.752 20 0 JHADRO CCOCc1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001314399843 1070261072 /nfs/dbraw/zinc/26/10/72/1070261072.db2.gz GSKYVUUZAJCDBP-NRFANRHFSA-N 1 0 458.626 3.540 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccccc3C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314402443 1070264453 /nfs/dbraw/zinc/26/44/53/1070264453.db2.gz FJJFIJPYERJKCK-XPNTWCBSSA-N 1 0 471.646 3.589 20 0 JHADRO CCOCc1nnc(N2CCO[C@](C)(CC)C2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001314403538 1070265611 /nfs/dbraw/zinc/26/56/11/1070265611.db2.gz VEAVVBLLYPUSEY-PXDATVDWSA-N 1 0 457.619 3.666 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccco3)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001314403822 1070266578 /nfs/dbraw/zinc/26/65/78/1070266578.db2.gz NOPBEBMWZYXTFQ-QHCPKHFHSA-N 1 0 453.587 3.874 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CC[N@H+](CC)C(C)C ZINC001314407655 1070270729 /nfs/dbraw/zinc/27/07/29/1070270729.db2.gz LTPIUHBSHMLSBZ-HXUWFJFHSA-N 1 0 453.990 3.915 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001314407810 1070271858 /nfs/dbraw/zinc/27/18/58/1070271858.db2.gz NEJQYTIALPXJGB-PGRDOPGGSA-N 1 0 463.573 3.793 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CCC[N@H+](C)C(C)C ZINC001314408891 1070273649 /nfs/dbraw/zinc/27/36/49/1070273649.db2.gz QXPSPLRGEAYAKH-HXUWFJFHSA-N 1 0 453.990 3.915 20 0 JHADRO CCOc1cc(NC2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)ncn1 ZINC001313169194 1070277858 /nfs/dbraw/zinc/27/78/58/1070277858.db2.gz ZOLKZCLSUPHSOT-JOCHJYFZSA-N 1 0 452.603 3.516 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314410722 1070276803 /nfs/dbraw/zinc/27/68/03/1070276803.db2.gz VUXKEMUXLSESLP-BJLQDIEVSA-N 1 0 462.664 3.525 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001314413290 1070279378 /nfs/dbraw/zinc/27/93/78/1070279378.db2.gz RWCVLPPZVKJEGW-WOJBJXKFSA-N 1 0 464.655 3.573 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001314417705 1070284991 /nfs/dbraw/zinc/28/49/91/1070284991.db2.gz FENGHZSYHQNQBG-RTBURBONSA-N 1 0 480.028 3.959 20 0 JHADRO CCCCCc1nnc(NC(=O)CN2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)s1 ZINC001308031752 1070287415 /nfs/dbraw/zinc/28/74/15/1070287415.db2.gz PPQNTLVBCZMDQS-YADARESESA-N 1 0 457.644 3.575 20 0 JHADRO CC(=O)c1ccc(N2CCN(C(=O)NCC3(c4ccccc4)CC[NH+](C)CC3)CC2)c(F)c1 ZINC001313185027 1070285724 /nfs/dbraw/zinc/28/57/24/1070285724.db2.gz GFTKGMMGPRNPAL-UHFFFAOYSA-N 1 0 452.574 3.524 20 0 JHADRO CN(C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C(=O)OC(C)(C)C ZINC001308040164 1070289093 /nfs/dbraw/zinc/28/90/93/1070289093.db2.gz ULCDPTKUHPMUQO-MOPGFXCFSA-N 1 0 453.624 3.876 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001314419828 1070290144 /nfs/dbraw/zinc/29/01/44/1070290144.db2.gz NQSVXBVFXXAAQZ-DFBJGRDBSA-N 1 0 489.686 3.653 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001314420767 1070292118 /nfs/dbraw/zinc/29/21/18/1070292118.db2.gz WOOBIBWYJDUGOK-FPOVZHCZSA-N 1 0 489.064 3.599 20 0 JHADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C ZINC001308060846 1070297465 /nfs/dbraw/zinc/29/74/65/1070297465.db2.gz BFHREFVLOYXGAX-IBGZPJMESA-N 1 0 459.612 3.858 20 0 JHADRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001313217552 1070296017 /nfs/dbraw/zinc/29/60/17/1070296017.db2.gz XWTPOZZWBYBRIT-VGCGRUFVSA-N 1 0 457.659 3.765 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3cccnc3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001314423671 1070298515 /nfs/dbraw/zinc/29/85/15/1070298515.db2.gz ZPBMOQROWOUKTD-NRFANRHFSA-N 1 0 452.578 3.864 20 0 JHADRO O=C(C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC001308065379 1070299930 /nfs/dbraw/zinc/29/99/30/1070299930.db2.gz NEYAHMDXLDZARW-NRFANRHFSA-N 1 0 455.908 3.914 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[N@H+](C)[C@@H](C)CC)C1 ZINC001314424296 1070300605 /nfs/dbraw/zinc/30/06/05/1070300605.db2.gz DLXRSXKZIXNXAX-MIZPHKNDSA-N 1 0 457.619 3.774 20 0 JHADRO C[C@@H](NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC001313238974 1070302383 /nfs/dbraw/zinc/30/23/83/1070302383.db2.gz BFTNACMOZKEETQ-VGOFRKELSA-N 1 0 451.489 3.925 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc([C@H](C)CC)n2Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC001314424369 1070301233 /nfs/dbraw/zinc/30/12/33/1070301233.db2.gz YRTFGKOGYHNAKC-LGVFNWMJSA-N 1 0 455.647 3.659 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@H+](CC(=O)NCCCOC1CCCCC1)C2 ZINC001308076119 1070303394 /nfs/dbraw/zinc/30/33/94/1070303394.db2.gz SMQMWFQXNZJHST-RUZDIDTESA-N 1 0 451.652 3.955 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314426844 1070305430 /nfs/dbraw/zinc/30/54/30/1070305430.db2.gz PZOKVWIEIIHKOD-FYYLOGMGSA-N 1 0 457.667 3.657 20 0 JHADRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001308097943 1070310555 /nfs/dbraw/zinc/31/05/55/1070310555.db2.gz GRCJZQHYLHKHGV-JXFKEZNVSA-N 1 0 450.004 3.797 20 0 JHADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN[C@@H](C)c3cc(Cl)cc4c3OCC4)CC2)cc1 ZINC001308103133 1070311923 /nfs/dbraw/zinc/31/19/23/1070311923.db2.gz DLIKPRBNBAPNBM-SFHVURJKSA-N 1 0 458.002 3.669 20 0 JHADRO CCN(C(=O)NCCc1ccccc1S(=O)(=O)CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001313273521 1070312535 /nfs/dbraw/zinc/31/25/35/1070312535.db2.gz OXZWOSSMLLEWHR-REWPJTCUSA-N 1 0 457.640 3.890 20 0 JHADRO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC001308084832 1070307512 /nfs/dbraw/zinc/30/75/12/1070307512.db2.gz DFUVJCMSQMIDPH-RTBURBONSA-N 1 0 451.633 3.566 20 0 JHADRO CN1C(=O)C[C@H]([NH2+]C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)[C@H]1c1ccc(F)c(F)c1 ZINC001308083545 1070307740 /nfs/dbraw/zinc/30/77/40/1070307740.db2.gz JHDNNBWEIJGUOX-PIPMEXSNSA-N 1 0 479.568 3.632 20 0 JHADRO C[C@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC001308117642 1070319204 /nfs/dbraw/zinc/31/92/04/1070319204.db2.gz XZPFHQBAPPEOOE-PZJWPPBQSA-N 1 0 453.668 3.961 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001314436535 1070323717 /nfs/dbraw/zinc/32/37/17/1070323717.db2.gz RZUZSIODDGWKGP-GDBMZVCRSA-N 1 0 468.465 3.972 20 0 JHADRO CC1([NH+]2CCCC2)CCC(NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC001313304378 1070320976 /nfs/dbraw/zinc/32/09/76/1070320976.db2.gz BRMGOQILOGAVDP-NLMOZGTASA-N 1 0 452.437 3.696 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001314435249 1070321181 /nfs/dbraw/zinc/32/11/81/1070321181.db2.gz OHMGYULPRYLAKV-LEWJYISDSA-N 1 0 471.646 3.946 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314435966 1070322275 /nfs/dbraw/zinc/32/22/75/1070322275.db2.gz JFCUMFXVQNCZIO-ZRBLBEILSA-N 1 0 469.674 3.928 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001314435907 1070322340 /nfs/dbraw/zinc/32/23/40/1070322340.db2.gz IMPKNTWGYNUUQM-DHIUTWEWSA-N 1 0 455.647 3.541 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001314439033 1070326689 /nfs/dbraw/zinc/32/66/89/1070326689.db2.gz ZBKZQPZVCJVJJA-GOSISDBHSA-N 1 0 492.462 3.681 20 0 JHADRO CN(C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC001313326533 1070327635 /nfs/dbraw/zinc/32/76/35/1070327635.db2.gz SMHPSSIFYDAQGM-DQEYMECFSA-N 1 0 459.594 3.648 20 0 JHADRO C[C@H]1CC[C@](CO)([NH2+]CC(=O)Nc2ccc(I)cc2)c2ccccc21 ZINC001308159167 1070332717 /nfs/dbraw/zinc/33/27/17/1070332717.db2.gz XAIZHZRKEHWSOA-VBKZILBWSA-N 1 0 450.320 3.604 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC12CC[NH+](C[C@@H](O)c1cc(Br)no1)CC2 ZINC001308170068 1070334895 /nfs/dbraw/zinc/33/48/95/1070334895.db2.gz JEKLEILKSSHVKB-LSDHHAIUSA-N 1 0 458.397 3.878 20 0 JHADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001308178215 1070337736 /nfs/dbraw/zinc/33/77/36/1070337736.db2.gz QZSKQKVJPZBGOO-NLFFAJNJSA-N 1 0 453.587 3.949 20 0 JHADRO O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001313367151 1070338906 /nfs/dbraw/zinc/33/89/06/1070338906.db2.gz UDXIRZJCOWOBSV-VIICAESSSA-N 1 0 481.543 3.672 20 0 JHADRO CCOCCC1(Cn2c(-c3cnn(C)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCC1 ZINC001314444746 1070337972 /nfs/dbraw/zinc/33/79/72/1070337972.db2.gz YCBLEDBFQNWZFX-UHFFFAOYSA-N 1 0 457.667 3.834 20 0 JHADRO COc1ccc(C[NH2+]C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(Br)c1 ZINC001308191826 1070339138 /nfs/dbraw/zinc/33/91/38/1070339138.db2.gz MAMXNSYWGMOTOZ-UHFFFAOYSA-N 1 0 453.402 3.709 20 0 JHADRO Cc1ccc(-c2ncc(C[NH2+]Cc3ccccc3CS(=O)(=O)N3CCOCC3)s2)cc1 ZINC001308201143 1070340482 /nfs/dbraw/zinc/34/04/82/1070340482.db2.gz ULNIELJGTZRBDZ-UHFFFAOYSA-N 1 0 457.621 3.570 20 0 JHADRO CCOc1cc(C[NH2+]CCC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OC(F)F ZINC001308210925 1070340906 /nfs/dbraw/zinc/34/09/06/1070340906.db2.gz BZXHUMYNYMPIFL-UHFFFAOYSA-N 1 0 451.489 3.654 20 0 JHADRO O=C(COc1ccc(CC[NH2+]Cc2ccc(Br)c3cccnc23)cc1)NC1CC1 ZINC001308215177 1070341762 /nfs/dbraw/zinc/34/17/62/1070341762.db2.gz FPFFWNVGCLLIPI-UHFFFAOYSA-N 1 0 454.368 3.987 20 0 JHADRO O=C(NCCC[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2)c1cccc(Br)c1 ZINC001308236937 1070344198 /nfs/dbraw/zinc/34/41/98/1070344198.db2.gz BLIFUVKBBLMNNQ-UHFFFAOYSA-N 1 0 459.310 3.910 20 0 JHADRO O=S(=O)(NCC[NH2+]Cc1ccc(Br)c2cccnc12)c1cccc(Cl)c1 ZINC001308227872 1070343257 /nfs/dbraw/zinc/34/32/57/1070343257.db2.gz TYWCQONWBXKMCI-UHFFFAOYSA-N 1 0 454.777 3.719 20 0 JHADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001308244626 1070344615 /nfs/dbraw/zinc/34/46/15/1070344615.db2.gz NLYDUSTWSJTEHQ-UHFFFAOYSA-N 1 0 452.430 3.579 20 0 JHADRO O=S(=O)(Cc1ccccc1)N1CCC([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC001308279078 1070350822 /nfs/dbraw/zinc/35/08/22/1070350822.db2.gz KZTMZJLDNYCKAX-UHFFFAOYSA-N 1 0 451.592 3.745 20 0 JHADRO CCOC(=O)COc1ccc(CC[NH2+]Cc2ccc(F)cc2I)cc1 ZINC001308289408 1070352081 /nfs/dbraw/zinc/35/20/81/1070352081.db2.gz SCTBRCYUYSGFPK-UHFFFAOYSA-N 1 0 457.283 3.705 20 0 JHADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC001308283164 1070352326 /nfs/dbraw/zinc/35/23/26/1070352326.db2.gz SOUURWSYTDEAJE-PZJWPPBQSA-N 1 0 455.400 3.812 20 0 JHADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC001308283163 1070352462 /nfs/dbraw/zinc/35/24/62/1070352462.db2.gz SOUURWSYTDEAJE-FPOVZHCZSA-N 1 0 455.400 3.812 20 0 JHADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC(C)(C)S(C)(=O)=O)cc1OC ZINC001308289890 1070352876 /nfs/dbraw/zinc/35/28/76/1070352876.db2.gz DZARGKUEUXBNQO-UHFFFAOYSA-N 1 0 457.596 3.528 20 0 JHADRO CCOCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001314454436 1070353078 /nfs/dbraw/zinc/35/30/78/1070353078.db2.gz KNMWWOTZHURUKW-FQEVSTJZSA-N 1 0 464.655 3.697 20 0 JHADRO CCC1([NH+]2CCCCC2)CCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC001313419763 1070354336 /nfs/dbraw/zinc/35/43/36/1070354336.db2.gz YIVIPFNNNJXZNA-GOSISDBHSA-N 1 0 451.633 3.600 20 0 JHADRO CCOc1cc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)cc(Br)c1OCC(=O)N(C)C ZINC001308369500 1070362683 /nfs/dbraw/zinc/36/26/83/1070362683.db2.gz NTRSJZGGBRWGDW-CVEARBPZSA-N 1 0 457.409 3.610 20 0 JHADRO O=S(=O)(NCC[NH2+]Cc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1F ZINC001308379246 1070364626 /nfs/dbraw/zinc/36/46/26/1070364626.db2.gz DUUDYRZZDAKCRE-UHFFFAOYSA-N 1 0 456.164 3.963 20 0 JHADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC001308378097 1070364663 /nfs/dbraw/zinc/36/46/63/1070364663.db2.gz TWMOMDXGGYFMHK-HNNXBMFYSA-N 1 0 454.386 3.871 20 0 JHADRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC001308382418 1070365487 /nfs/dbraw/zinc/36/54/87/1070365487.db2.gz ISXCEEOGAVTBQX-FQEVSTJZSA-N 1 0 459.388 3.682 20 0 JHADRO Fc1cccc(C[NH2+]CCCCn2cc(Br)cn2)c1I ZINC001308389514 1070366688 /nfs/dbraw/zinc/36/66/88/1070366688.db2.gz CTVUIZWMFLKYFS-UHFFFAOYSA-N 1 0 452.109 3.959 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](C)C1 ZINC001313447410 1070367137 /nfs/dbraw/zinc/36/71/37/1070367137.db2.gz JIQQVJBMHVPRRY-CTNGQTDRSA-N 1 0 459.660 3.849 20 0 JHADRO CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]Cc1cnn2ccccc12 ZINC001308401159 1070370689 /nfs/dbraw/zinc/37/06/89/1070370689.db2.gz MEFWLJKZAZONNY-UHFFFAOYSA-N 1 0 454.415 3.523 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001313448405 1070370654 /nfs/dbraw/zinc/37/06/54/1070370654.db2.gz RAODONZEUYFDTL-IHPCNDPISA-N 1 0 478.037 3.722 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)C1 ZINC001308405117 1070370817 /nfs/dbraw/zinc/37/08/17/1070370817.db2.gz MPHGEEPJOYXVOP-MPCDZSKCSA-N 1 0 456.587 3.837 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)C1 ZINC001308405119 1070371329 /nfs/dbraw/zinc/37/13/29/1070371329.db2.gz MPHGEEPJOYXVOP-RRQZXNHTSA-N 1 0 456.587 3.837 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001313449061 1070373472 /nfs/dbraw/zinc/37/34/72/1070373472.db2.gz UHYZZHKDNSXQCS-NRFANRHFSA-N 1 0 463.630 3.850 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001313449125 1070373829 /nfs/dbraw/zinc/37/38/29/1070373829.db2.gz VKHDUEHKBCAGPE-HKUYNNGSSA-N 1 0 489.462 3.557 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001313449118 1070373850 /nfs/dbraw/zinc/37/38/50/1070373850.db2.gz VFZRJEOAEUQALJ-MOPGFXCFSA-N 1 0 458.582 3.674 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001314464297 1070373876 /nfs/dbraw/zinc/37/38/76/1070373876.db2.gz CTFDBDIYAVTBHG-QGZVFWFLSA-N 1 0 451.413 3.525 20 0 JHADRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC001308428311 1070374203 /nfs/dbraw/zinc/37/42/03/1070374203.db2.gz STZMOWBWCQUNFA-ZDUSSCGKSA-N 1 0 457.394 3.626 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001313449996 1070376103 /nfs/dbraw/zinc/37/61/03/1070376103.db2.gz UGDWZYQRLFQTLI-FQEVSTJZSA-N 1 0 451.619 3.982 20 0 JHADRO COc1ccc(OCc2nc(CNCC3(O)CC[NH+](Cc4ccccc4)CC3)cs2)cc1 ZINC001308439603 1070376238 /nfs/dbraw/zinc/37/62/38/1070376238.db2.gz RKNMZGGVCXIDPD-UHFFFAOYSA-N 1 0 453.608 3.847 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 ZINC001313450286 1070376910 /nfs/dbraw/zinc/37/69/10/1070376910.db2.gz WAJYOJIRNBZUSN-HBFSDRIKSA-N 1 0 488.658 3.706 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001313451360 1070379692 /nfs/dbraw/zinc/37/96/92/1070379692.db2.gz UJJMKYZKUZNNIT-FQEVSTJZSA-N 1 0 468.543 3.567 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCC(F)(F)F ZINC001313451993 1070381521 /nfs/dbraw/zinc/38/15/21/1070381521.db2.gz GRWXLSMRNUGFTP-HNNXBMFYSA-N 1 0 458.554 3.533 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(Br)cs1 ZINC001313452280 1070382709 /nfs/dbraw/zinc/38/27/09/1070382709.db2.gz KBPXUPJXEPJEJQ-KRWDZBQOSA-N 1 0 495.491 3.735 20 0 JHADRO CCCn1nc(-c2nnc(N(C)CC(C)(C)C)n2C[C@@H]2CC[N@H+](CC)C2)c2ccccc2c1=O ZINC001313452673 1070383294 /nfs/dbraw/zinc/38/32/94/1070383294.db2.gz JVMWMNRKXIVGMR-LJQANCHMSA-N 1 0 465.646 3.889 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313452536 1070383647 /nfs/dbraw/zinc/38/36/47/1070383647.db2.gz LINROXCSVJQIAK-ZJOUEHCJSA-N 1 0 481.563 3.930 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313452979 1070383874 /nfs/dbraw/zinc/38/38/74/1070383874.db2.gz MHKIQRXNJUAQKD-WBADGQHESA-N 1 0 477.694 3.701 20 0 JHADRO CCCn1nc(-c2nnc(N(C)CC(C)C)n2C[C@]2([NH+](C)C)CCSC2)c2ccccc2c1=O ZINC001313453338 1070385547 /nfs/dbraw/zinc/38/55/47/1070385547.db2.gz RFSRKSBZYMYKJV-RUZDIDTESA-N 1 0 483.686 3.595 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccoc1C ZINC001313453169 1070385128 /nfs/dbraw/zinc/38/51/28/1070385128.db2.gz SGFHPLIBIADEGO-IBGZPJMESA-N 1 0 456.616 3.682 20 0 JHADRO CCOCCN(CC)c1nnc([C@H]2CCCCO2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001314475061 1070385819 /nfs/dbraw/zinc/38/58/19/1070385819.db2.gz MWTQLDHGSCNOOT-HXUWFJFHSA-N 1 0 451.681 3.744 20 0 JHADRO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001308527287 1070386107 /nfs/dbraw/zinc/38/61/07/1070386107.db2.gz DLARUJBGIKHITM-CRAIPNDOSA-N 1 0 451.489 3.914 20 0 JHADRO COc1cc(C[NH2+][C@H]2CCN(C)[C@H]2C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001308527290 1070386163 /nfs/dbraw/zinc/38/61/63/1070386163.db2.gz DLARUJBGIKHITM-YJBOKZPZSA-N 1 0 451.489 3.914 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001313453860 1070386739 /nfs/dbraw/zinc/38/67/39/1070386739.db2.gz XEUSLEIDBUHIFV-VQTJNVASSA-N 1 0 461.010 3.732 20 0 JHADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001308538957 1070386791 /nfs/dbraw/zinc/38/67/91/1070386791.db2.gz DIBIVLDBSKENDT-OAQYLSRUSA-N 1 0 455.386 3.949 20 0 JHADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC001308535454 1070386962 /nfs/dbraw/zinc/38/69/62/1070386962.db2.gz QECWWSCJNGUNTQ-HUUCEWRRSA-N 1 0 464.198 3.936 20 0 JHADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2c3ccccc3OC[C@H]2CO)CC1 ZINC001308546315 1070387750 /nfs/dbraw/zinc/38/77/50/1070387750.db2.gz AIFHNYAGLKHCAA-OPAMFIHVSA-N 1 0 459.384 3.694 20 0 JHADRO COc1cc(C[N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)ccc1OC(=O)C1CC1 ZINC001308576712 1070393061 /nfs/dbraw/zinc/39/30/61/1070393061.db2.gz ALFRQGDTOLZGED-KRWDZBQOSA-N 1 0 453.457 3.901 20 0 JHADRO COC(=O)c1[nH]c2ccccc2c1C[N@H+](C[C@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC001308586916 1070395192 /nfs/dbraw/zinc/39/51/92/1070395192.db2.gz PAWHQMHPDNRCRY-IBGZPJMESA-N 1 0 453.539 3.563 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001313459173 1070405202 /nfs/dbraw/zinc/40/52/02/1070405202.db2.gz FQMVBRSDNOYEKB-GGAORHGYSA-N 1 0 482.673 3.961 20 0 JHADRO CCCn1nc(-c2nnc(Nc3ccn(C)n3)n2CC[NH+](C(C)C)C(C)C)c2ccccc2c1=O ZINC001313462481 1070421586 /nfs/dbraw/zinc/42/15/86/1070421586.db2.gz XOUYKMLKEGDTQX-UHFFFAOYSA-N 1 0 477.617 3.661 20 0 JHADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC2(c3ccc(F)cc3F)CCCC2)CC1 ZINC001308703752 1070421715 /nfs/dbraw/zinc/42/17/15/1070421715.db2.gz MNQUDBAWEAFXBB-UHFFFAOYSA-N 1 0 452.571 3.559 20 0 JHADRO COc1ccc(NC(=O)C2([NH2+]Cc3ccc(C(=O)N4CCCC4)cc3)CCCC2)cc1OC ZINC001308701796 1070421980 /nfs/dbraw/zinc/42/19/80/1070421980.db2.gz PCYWHDTVQUBMEA-UHFFFAOYSA-N 1 0 451.567 3.981 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C1 ZINC001313462629 1070422453 /nfs/dbraw/zinc/42/24/53/1070422453.db2.gz ZVUQSDLOEMMIKI-RTWAWAEBSA-N 1 0 486.636 3.786 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2OCCC2(C)C)C[C@H]1CC ZINC001314498975 1070425728 /nfs/dbraw/zinc/42/57/28/1070425728.db2.gz VHESQENETREHID-RTWAWAEBSA-N 1 0 461.676 3.683 20 0 JHADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC001308726444 1070426064 /nfs/dbraw/zinc/42/60/64/1070426064.db2.gz HMTYOBSNNCOHQN-UONOGXRCSA-N 1 0 457.461 3.956 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(F)(F)F)cc2)C[C@H]1CC ZINC001314499248 1070426292 /nfs/dbraw/zinc/42/62/92/1070426292.db2.gz BJRFIRYEFOCSAG-PZJWPPBQSA-N 1 0 481.563 3.786 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C3CCC3)n2Cc2cccc(C[N@H+](C)CC)c2)C1 ZINC001313464608 1070429616 /nfs/dbraw/zinc/42/96/16/1070429616.db2.gz SZBADAPSCUYAOK-QHCPKHFHSA-N 1 0 452.647 3.788 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)CC)C[C@H]1CC ZINC001314500187 1070429844 /nfs/dbraw/zinc/42/98/44/1070429844.db2.gz TXIOPHORIFEKGR-LJQANCHMSA-N 1 0 481.645 3.967 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001313464925 1070430547 /nfs/dbraw/zinc/43/05/47/1070430547.db2.gz LFCYZXWMHCVOFB-ICSRJNTNSA-N 1 0 460.692 3.974 20 0 JHADRO COC(=O)c1ccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c(Br)c1 ZINC001308751767 1070430898 /nfs/dbraw/zinc/43/08/98/1070430898.db2.gz MGCYETYBBNCUQD-UHFFFAOYSA-N 1 0 454.752 3.612 20 0 JHADRO CN(C(=O)c1ccc(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001308760093 1070432843 /nfs/dbraw/zinc/43/28/43/1070432843.db2.gz GCYSCRZVROYHLQ-FQEVSTJZSA-N 1 0 456.953 3.838 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2CCCCC2)C1 ZINC001313465538 1070433877 /nfs/dbraw/zinc/43/38/77/1070433877.db2.gz MVLVJBBDMWCETF-JOCHJYFZSA-N 1 0 470.637 3.627 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(F)cc(F)c(F)c2F)C[C@H]1CC ZINC001314501925 1070435983 /nfs/dbraw/zinc/43/59/83/1070435983.db2.gz TYVPFKFNBOOAQR-IAGOWNOFSA-N 1 0 499.553 3.714 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001313466193 1070437885 /nfs/dbraw/zinc/43/78/85/1070437885.db2.gz LBGLBXYSBCJXSA-CTNGQTDRSA-N 1 0 480.613 3.592 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001313466759 1070440645 /nfs/dbraw/zinc/44/06/45/1070440645.db2.gz WICOBHJMQBVQSQ-SFTDATJTSA-N 1 0 460.667 3.527 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(c2ccc(CN(CC[NH3+])c3ccc4ccccc4n3)o2)CC1 ZINC001308822309 1070443568 /nfs/dbraw/zinc/44/35/68/1070443568.db2.gz CWMSTEMMXKCNGG-UHFFFAOYSA-N 1 0 451.571 3.850 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001313467517 1070443884 /nfs/dbraw/zinc/44/38/84/1070443884.db2.gz CSGBMQSPLREROW-UHFFFAOYSA-N 1 0 495.716 3.531 20 0 JHADRO CNC(=O)[C@H](C[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)Cc1ccc(OC)c(F)c1 ZINC001308835525 1070445311 /nfs/dbraw/zinc/44/53/11/1070445311.db2.gz HHXYJSLQXXBNCA-NEWSRXKRSA-N 1 0 451.583 3.507 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001313467831 1070445405 /nfs/dbraw/zinc/44/54/05/1070445405.db2.gz ARLMVDQGGOYMCV-UHFFFAOYSA-N 1 0 456.635 3.711 20 0 JHADRO COCO[C@H](C)c1cc(F)c(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Br ZINC001308841838 1070445869 /nfs/dbraw/zinc/44/58/69/1070445869.db2.gz VGVNSSLUMJUVLQ-SJLPKXTDSA-N 1 0 459.400 3.956 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001313468391 1070447469 /nfs/dbraw/zinc/44/74/69/1070447469.db2.gz KFGVPLMIVBDSKA-FQEVSTJZSA-N 1 0 470.643 3.954 20 0 JHADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC001308847712 1070447626 /nfs/dbraw/zinc/44/76/26/1070447626.db2.gz FOEQRCDCZBADGC-FQEVSTJZSA-N 1 0 456.587 3.908 20 0 JHADRO CNC(=O)[C@@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)Cc1ccc(C(F)(F)F)cc1 ZINC001308850010 1070448176 /nfs/dbraw/zinc/44/81/76/1070448176.db2.gz ZAWHKPPVODANJP-TVRKMHQQSA-N 1 0 457.537 3.893 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001308852555 1070449117 /nfs/dbraw/zinc/44/91/17/1070449117.db2.gz XWLVUYBWINIXCO-IFMALSPDSA-N 1 0 457.571 3.733 20 0 JHADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC001308861646 1070450707 /nfs/dbraw/zinc/45/07/07/1070450707.db2.gz CDPZPBCOWYUQEB-URKNILKWSA-N 1 0 456.370 3.621 20 0 JHADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(I)s3)C2)ccn1 ZINC001308875688 1070453282 /nfs/dbraw/zinc/45/32/82/1070453282.db2.gz GATUQKYLASYYGT-INIZCTEOSA-N 1 0 457.381 3.853 20 0 JHADRO C[C@@H]1C[C@H](C[NH+]2CCC(N(CCO)C(=O)OC(C)(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001308894475 1070455772 /nfs/dbraw/zinc/45/57/72/1070455772.db2.gz FEZLYUYOEWOOAK-RTBURBONSA-N 1 0 455.640 3.716 20 0 JHADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)CC2)cc1 ZINC001308900758 1070456663 /nfs/dbraw/zinc/45/66/63/1070456663.db2.gz UYZCAAQOJPOTKE-YADHBBJMSA-N 1 0 468.978 3.761 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001314508152 1070457252 /nfs/dbraw/zinc/45/72/52/1070457252.db2.gz NIVIBSUQMROWFN-UHFFFAOYSA-N 1 0 461.676 3.501 20 0 JHADRO Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C2)cn1 ZINC001308907391 1070457343 /nfs/dbraw/zinc/45/73/43/1070457343.db2.gz WLMWEGAZHROKTN-MSOLQXFVSA-N 1 0 450.624 3.718 20 0 JHADRO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001308906958 1070457482 /nfs/dbraw/zinc/45/74/82/1070457482.db2.gz HSQGTSXGJVBBNS-IAGOWNOFSA-N 1 0 452.555 3.635 20 0 JHADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1c(I)cnn1C ZINC001308911844 1070458027 /nfs/dbraw/zinc/45/80/27/1070458027.db2.gz OSCYTDWXXZWNOB-SECBINFHSA-N 1 0 452.109 3.647 20 0 JHADRO CCC1(NC(=O)OC(C)(C)C)CC[NH+](C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)CC1 ZINC001308920813 1070459817 /nfs/dbraw/zinc/45/98/17/1070459817.db2.gz ALWBVIQXROOEOS-UHFFFAOYSA-N 1 0 454.608 3.808 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314508872 1070460345 /nfs/dbraw/zinc/46/03/45/1070460345.db2.gz JSVJKQFPSHKYPC-FPOVZHCZSA-N 1 0 473.687 3.777 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001314510388 1070466480 /nfs/dbraw/zinc/46/64/80/1070466480.db2.gz WLHBWRZXYPIUEO-HXUWFJFHSA-N 1 0 491.677 3.676 20 0 JHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)cc1OC ZINC001308933109 1070461477 /nfs/dbraw/zinc/46/14/77/1070461477.db2.gz MVNIRIBABCORAT-NRFANRHFSA-N 1 0 451.354 3.675 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC001308936492 1070462135 /nfs/dbraw/zinc/46/21/35/1070462135.db2.gz ODFSSMUMNDVCTL-GXRSIYKFSA-N 1 0 452.636 3.747 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001314509179 1070462224 /nfs/dbraw/zinc/46/22/24/1070462224.db2.gz GJHIWVNSOFVUFI-HSZRJFAPSA-N 1 0 491.677 3.532 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(C[C@H](C[NH2+][C@@H]3CCCN(Cc4ccccc4)C3)OC2=O)CC1 ZINC001308946297 1070464453 /nfs/dbraw/zinc/46/44/53/1070464453.db2.gz MHMSAKOCSNFDEX-FGZHOGPDSA-N 1 0 457.615 3.573 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001313472783 1070468455 /nfs/dbraw/zinc/46/84/55/1070468455.db2.gz RNZHZLMANXEBPI-HXUWFJFHSA-N 1 0 472.703 3.793 20 0 JHADRO CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+]CCC1(NC(=O)OC(C)(C)C)CCOCC1)C2 ZINC001308986673 1070470929 /nfs/dbraw/zinc/47/09/29/1070470929.db2.gz PAMATRFJJHMFEX-UHFFFAOYSA-N 1 0 453.624 3.876 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]CCNc1ccc(C(F)(F)F)cn1 ZINC001308987187 1070471065 /nfs/dbraw/zinc/47/10/65/1070471065.db2.gz RIMMLYKNANDXEA-FGTMMUONSA-N 1 0 458.525 3.907 20 0 JHADRO CCOC(=O)c1ccc(CS(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC001309012729 1070484157 /nfs/dbraw/zinc/48/41/57/1070484157.db2.gz OVEFGWCUWKQTPK-HXUWFJFHSA-N 1 0 450.626 3.817 20 0 JHADRO CCCNC(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001313477335 1070484583 /nfs/dbraw/zinc/48/45/83/1070484583.db2.gz SSOIRDKRANZURZ-HXUWFJFHSA-N 1 0 489.462 3.689 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314515274 1070485469 /nfs/dbraw/zinc/48/54/69/1070485469.db2.gz FHPDINHXSDDENM-RTWAWAEBSA-N 1 0 498.697 3.873 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314519056 1070500429 /nfs/dbraw/zinc/50/04/29/1070500429.db2.gz NNMPCXCRYYPYLX-PMACEKPBSA-N 1 0 486.686 3.806 20 0 JHADRO CC[NH+]1CCN(Cc2ccc(CNS(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)cc2)CC1 ZINC001309057891 1070512694 /nfs/dbraw/zinc/51/26/94/1070512694.db2.gz KFALIJDSAAACJU-UHFFFAOYSA-N 1 0 455.546 3.630 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCC[NH+]1CCC(C)CC1 ZINC001314523000 1070512890 /nfs/dbraw/zinc/51/28/90/1070512890.db2.gz QTUBLONOEHWGBJ-UHFFFAOYSA-N 1 0 486.057 3.731 20 0 JHADRO COCc1cc(Cl)cc(S(=O)(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001309056004 1070512192 /nfs/dbraw/zinc/51/21/92/1070512192.db2.gz TXPZPQPSPRLIDW-CALCHBBNSA-N 1 0 453.004 3.574 20 0 JHADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001309060838 1070514497 /nfs/dbraw/zinc/51/44/97/1070514497.db2.gz OTLBJEUJJRQLKY-UHFFFAOYSA-N 1 0 450.523 3.871 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314526697 1070517862 /nfs/dbraw/zinc/51/78/62/1070517862.db2.gz GXLXSWLLWZHNQU-YADARESESA-N 1 0 496.121 3.904 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001313493920 1070515021 /nfs/dbraw/zinc/51/50/21/1070515021.db2.gz YCRIOFOSNTYDSN-FGZHOGPDSA-N 1 0 452.647 3.871 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccccc2F)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314524274 1070516238 /nfs/dbraw/zinc/51/62/38/1070516238.db2.gz PLQFXNUMSYVWID-RTBURBONSA-N 1 0 479.666 3.712 20 0 JHADRO CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314533603 1070528314 /nfs/dbraw/zinc/52/83/14/1070528314.db2.gz LWUWEBTYPGJLQB-UNMCSNQZSA-N 1 0 491.677 3.534 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2CC2([S@](C)=O)CC2)cc1OC ZINC001313501690 1070525862 /nfs/dbraw/zinc/52/58/62/1070525862.db2.gz FZAKKLVWDUURCG-DTYRLCEBSA-N 1 0 489.686 3.573 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001313501875 1070526891 /nfs/dbraw/zinc/52/68/91/1070526891.db2.gz CVBNPRGUTVVOCF-HRFSGMKKSA-N 1 0 498.672 3.565 20 0 JHADRO CCS(=O)(=O)N(C)C1CCN(c2nnc(C3CCCC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001314538153 1070533321 /nfs/dbraw/zinc/53/33/21/1070533321.db2.gz JXPKOAFCUVIREA-NHCUHLMSSA-N 1 0 494.750 3.554 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@]2(O)CCSC2)cc1OC ZINC001313503895 1070535395 /nfs/dbraw/zinc/53/53/95/1070535395.db2.gz CUDQJQTTZWCNGF-VWLOTQADSA-N 1 0 489.686 3.531 20 0 JHADRO CCOC(=O)c1oc2ccc(S(=O)(=O)NCC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)cc2c1C ZINC001309100032 1070539700 /nfs/dbraw/zinc/53/97/00/1070539700.db2.gz KYUBMNIFDYKTNB-HOTGVXAUSA-N 1 0 450.601 3.953 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CC(C)(C)C[NH+](C)C)cc1OC ZINC001313504746 1070539913 /nfs/dbraw/zinc/53/99/13/1070539913.db2.gz KANODEDPLATDFP-UHFFFAOYSA-N 1 0 494.640 3.994 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2C[C@]2(C)CCCO2)cc1OC ZINC001313506267 1070547557 /nfs/dbraw/zinc/54/75/57/1070547557.db2.gz XEAXFZQRVFRAOI-CLOONOSVSA-N 1 0 457.619 3.842 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001313506945 1070550540 /nfs/dbraw/zinc/55/05/40/1070550540.db2.gz UXWDXAXOUMGEBG-IRLDBZIGSA-N 1 0 498.672 3.565 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2CC[NH+]2CCCCCC2)cc1OC ZINC001313507424 1070552787 /nfs/dbraw/zinc/55/27/87/1070552787.db2.gz VASRYZAKJZNPBR-HSZRJFAPSA-N 1 0 498.672 3.723 20 0 JHADRO CCCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC001313512015 1070563795 /nfs/dbraw/zinc/56/37/95/1070563795.db2.gz XBOIUWKRGXNDKB-UNMCSNQZSA-N 1 0 456.635 3.572 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCSCC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1OC ZINC001313514374 1070570938 /nfs/dbraw/zinc/57/09/38/1070570938.db2.gz TXMNSXAQHASKKU-OAQYLSRUSA-N 1 0 489.686 3.653 20 0 JHADRO CC[S@](=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001314564162 1070567713 /nfs/dbraw/zinc/56/77/13/1070567713.db2.gz OQDZPYNOEIQYDD-LJAQVGFWSA-N 1 0 482.492 3.751 20 0 JHADRO CC[S@@](=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001314565167 1070569601 /nfs/dbraw/zinc/56/96/01/1070569601.db2.gz ZJECSOCQTOJTBL-NMEJYPJZSA-N 1 0 463.717 3.867 20 0 JHADRO CC[S@@](=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001314565355 1070570228 /nfs/dbraw/zinc/57/02/28/1070570228.db2.gz QDTRGZIUQBHFEG-NOVUIFNWSA-N 1 0 494.503 3.787 20 0 JHADRO CCCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC001313515316 1070573584 /nfs/dbraw/zinc/57/35/84/1070573584.db2.gz GTOSVOKHKOPHEA-FQEVSTJZSA-N 1 0 464.614 3.640 20 0 JHADRO CCCOc1ncccc1Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313517945 1070581694 /nfs/dbraw/zinc/58/16/94/1070581694.db2.gz JTUBGTJBDPRRPX-UHFFFAOYSA-N 1 0 450.587 3.716 20 0 JHADRO CCCOc1ncccc1Cn1c(COCC)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001313521103 1070587944 /nfs/dbraw/zinc/58/79/44/1070587944.db2.gz HYTQVSJPZQFPDE-UHFFFAOYSA-N 1 0 456.635 3.747 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001313522310 1070591308 /nfs/dbraw/zinc/59/13/08/1070591308.db2.gz GKAJGERCCPYSIH-WPFOTENUSA-N 1 0 470.662 3.549 20 0 JHADRO C[C@H]1CCCCN1C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC001309185563 1070591743 /nfs/dbraw/zinc/59/17/43/1070591743.db2.gz ZOZGSIIIVZMAHJ-KRWDZBQOSA-N 1 0 455.416 3.632 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001313525114 1070597830 /nfs/dbraw/zinc/59/78/30/1070597830.db2.gz ZYAWOUYUHMYREZ-VXKWHMMOSA-N 1 0 452.603 3.945 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001313526182 1070600082 /nfs/dbraw/zinc/60/00/82/1070600082.db2.gz NVKLUAXUPPHQSE-FGZHOGPDSA-N 1 0 462.683 3.712 20 0 JHADRO CCSc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3ccccc3C)CC2)ccn1 ZINC001314584651 1070602392 /nfs/dbraw/zinc/60/23/92/1070602392.db2.gz XHVKCDOBZKGEAE-UHFFFAOYSA-N 1 0 493.681 3.602 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC2([NH+](C)C)CCC2)n1 ZINC001314584519 1070602435 /nfs/dbraw/zinc/60/24/35/1070602435.db2.gz UQQNFJQERISCQA-IRXDYDNUSA-N 1 0 463.652 3.838 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001313528674 1070607574 /nfs/dbraw/zinc/60/75/74/1070607574.db2.gz QNXNFUZJYXUHIO-GGAORHGYSA-N 1 0 471.646 3.708 20 0 JHADRO CCSc1cc(Cn2c(CC(C)C)nnc2N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccn1 ZINC001314586155 1070608120 /nfs/dbraw/zinc/60/81/20/1070608120.db2.gz PDMSEBNAIKPRRX-QFIPXVFZSA-N 1 0 471.719 3.637 20 0 JHADRO CCS[C@H]1CC[C@@H](N(C)c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314590115 1070617813 /nfs/dbraw/zinc/61/78/13/1070617813.db2.gz WOAHCIIXUNCTSU-UXHICEINSA-N 1 0 462.708 3.747 20 0 JHADRO CCCS(=O)(=O)NC1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001313534498 1070624917 /nfs/dbraw/zinc/62/49/17/1070624917.db2.gz LKSCABVDKYZWOI-NRFANRHFSA-N 1 0 494.750 3.602 20 0 JHADRO Cc1cc(Cl)c(S(=O)(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c(Br)c1 ZINC001309229174 1070627709 /nfs/dbraw/zinc/62/77/09/1070627709.db2.gz UEMWUJTZECKFMV-UHFFFAOYSA-N 1 0 457.821 3.788 20 0 JHADRO CCC[C@@H]1C[C@H]1n1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001313536804 1070629891 /nfs/dbraw/zinc/62/98/91/1070629891.db2.gz LBCWQYLDLMQOIL-IIDMSEBBSA-N 1 0 451.413 3.554 20 0 JHADRO CCC[C@@H]1C[C@H]1n1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001313537618 1070630616 /nfs/dbraw/zinc/63/06/16/1070630616.db2.gz OMJOSCPDRYFIRH-DHIUTWEWSA-N 1 0 452.647 3.859 20 0 JHADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC001309258124 1070650186 /nfs/dbraw/zinc/65/01/86/1070650186.db2.gz POTCMQUJIIARBS-NRFANRHFSA-N 1 0 458.632 3.518 20 0 JHADRO CCSCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314613375 1070680420 /nfs/dbraw/zinc/68/04/20/1070680420.db2.gz KQYQZSZRICJMOG-UHFFFAOYSA-N 1 0 479.716 3.802 20 0 JHADRO CCSCC[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCC[N@@H+]1CC ZINC001314612104 1070677650 /nfs/dbraw/zinc/67/76/50/1070677650.db2.gz WWFCFYMTLJSUHI-ZWKOTPCHSA-N 1 0 462.664 3.848 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(C)n2Cc2cccc(C[N@H+](C)CC)c2)C1)CC(F)(F)F ZINC001313571773 1070685990 /nfs/dbraw/zinc/68/59/90/1070685990.db2.gz GYXDMBPUSKVZLA-OAQYLSRUSA-N 1 0 452.569 3.797 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCCN(C(=O)C(C)C)CC2)c1 ZINC001313571638 1070686267 /nfs/dbraw/zinc/68/62/67/1070686267.db2.gz BQDYKHZDHPZDAI-UHFFFAOYSA-N 1 0 489.668 3.843 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(C3CCC3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC001313572808 1070687562 /nfs/dbraw/zinc/68/75/62/1070687562.db2.gz PMUMTAGNYOQUAE-UHFFFAOYSA-N 1 0 492.590 3.941 20 0 JHADRO CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCC[NH+]1CCCCC1 ZINC001313568816 1070682562 /nfs/dbraw/zinc/68/25/62/1070682562.db2.gz MYGFBRVBLYJPEQ-HXUWFJFHSA-N 1 0 464.655 3.699 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)O[C@@H](COC)C2)c1 ZINC001313574736 1070689743 /nfs/dbraw/zinc/68/97/43/1070689743.db2.gz LOYKMNCZVJOTRJ-KMRPREKFSA-N 1 0 499.700 3.937 20 0 JHADRO CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001313569500 1070683258 /nfs/dbraw/zinc/68/32/58/1070683258.db2.gz OXXAZLIYOUOUGD-RTWAWAEBSA-N 1 0 472.634 3.654 20 0 JHADRO CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313570355 1070684682 /nfs/dbraw/zinc/68/46/82/1070684682.db2.gz XVFGVUGTOQFDQQ-IRXDYDNUSA-N 1 0 480.451 3.964 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(N3CC[C@H](C)[C@H](OC)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001313575841 1070691816 /nfs/dbraw/zinc/69/18/16/1070691816.db2.gz SXDQHVZYIIQIAG-YEEURNOCSA-N 1 0 485.673 3.680 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)C)nnc2N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)c1 ZINC001313575875 1070691975 /nfs/dbraw/zinc/69/19/75/1070691975.db2.gz VFLPCSVXHHOHHX-DEOSSOPVSA-N 1 0 481.689 3.559 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(N3C[C@H](C)OC(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001313576240 1070692758 /nfs/dbraw/zinc/69/27/58/1070692758.db2.gz XDFAPWPYMURQMF-IDISGSTGSA-N 1 0 485.673 3.822 20 0 JHADRO CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1)C1CC1 ZINC001313577665 1070696125 /nfs/dbraw/zinc/69/61/25/1070696125.db2.gz QQSFVECNVKZJNU-IBGZPJMESA-N 1 0 459.038 3.971 20 0 JHADRO CCN(c1nnc(-c2cccc(Br)c2)n1CCN1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC001313582758 1070704450 /nfs/dbraw/zinc/70/44/50/1070704450.db2.gz QGGQRENBQSWXKO-UHFFFAOYSA-N 1 0 463.468 3.968 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314623219 1070705181 /nfs/dbraw/zinc/70/51/81/1070705181.db2.gz CXIHIZJSGFDEHA-SFTDATJTSA-N 1 0 490.693 3.740 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(C)C ZINC001313587726 1070714320 /nfs/dbraw/zinc/71/43/20/1070714320.db2.gz LMJTZWXELTWKIH-NRFANRHFSA-N 1 0 455.006 3.843 20 0 JHADRO CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001313596769 1070721938 /nfs/dbraw/zinc/72/19/38/1070721938.db2.gz ROKUNSVBGDYBJW-HXUWFJFHSA-N 1 0 461.680 3.593 20 0 JHADRO CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([NH+](C)C)CCCCC1)C(C)C ZINC001313596818 1070722192 /nfs/dbraw/zinc/72/21/92/1070722192.db2.gz TVPYQESSASSTHG-UHFFFAOYSA-N 1 0 461.680 3.737 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(C2CCCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001314628227 1070723362 /nfs/dbraw/zinc/72/33/62/1070723362.db2.gz HRBJHTXTNVMMSU-LVXARBLLSA-N 1 0 474.694 3.520 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@H]2CCCCO2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001314628489 1070724291 /nfs/dbraw/zinc/72/42/91/1070724291.db2.gz IXTCLVFVWIURSD-FCHUYYIVSA-N 1 0 472.678 3.645 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(CC2CCCC2)nnc1N(C)CC1CCCCC1 ZINC001314629140 1070726609 /nfs/dbraw/zinc/72/66/09/1070726609.db2.gz NHZPFCOGKRKOKB-HSZRJFAPSA-N 1 0 458.695 3.970 20 0 JHADRO CN(C)C(=O)CCCn1c(CC2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001314631202 1070732356 /nfs/dbraw/zinc/73/23/56/1070732356.db2.gz MPXNUHGBLOFWNB-UHFFFAOYSA-N 1 0 470.637 3.731 20 0 JHADRO CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313609060 1070733474 /nfs/dbraw/zinc/73/34/74/1070733474.db2.gz GMRMNYOMSDDEKF-OAQYLSRUSA-N 1 0 494.105 3.800 20 0 JHADRO CN(C)C(=O)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001314632676 1070735927 /nfs/dbraw/zinc/73/59/27/1070735927.db2.gz ZNPDMAWGYUQVCU-JOCHJYFZSA-N 1 0 452.647 3.786 20 0 JHADRO CCN(c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1c(C)noc1C)C(C)C ZINC001313615048 1070738963 /nfs/dbraw/zinc/73/89/63/1070738963.db2.gz HAQVMAMNAACCNZ-UHFFFAOYSA-N 1 0 451.619 3.531 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001314646369 1070747042 /nfs/dbraw/zinc/74/70/42/1070747042.db2.gz BAWPVLHKSOBDMH-ZBLYBZFDSA-N 1 0 491.640 3.870 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(C)(C)C)C1)c1ccc(F)cc1 ZINC001314646757 1070747118 /nfs/dbraw/zinc/74/71/18/1070747118.db2.gz CNYQNBJQJVPUAF-TZIWHRDSSA-N 1 0 456.610 3.829 20 0 JHADRO CN(c1nnc(-c2ccc(Br)s2)n1C[C@H](c1ccco1)[NH+](C)C)[C@H]1CCOC1 ZINC001314647470 1070750205 /nfs/dbraw/zinc/75/02/05/1070750205.db2.gz BUBXEILQQDIQFZ-UONOGXRCSA-N 1 0 466.405 3.890 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314647685 1070750537 /nfs/dbraw/zinc/75/05/37/1070750537.db2.gz BVLXNYGYRUYQFN-CTNGQTDRSA-N 1 0 483.592 3.819 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)c1ccccc1 ZINC001314650294 1070758606 /nfs/dbraw/zinc/75/86/06/1070758606.db2.gz HNHWTVCISRYMBH-RTBURBONSA-N 1 0 480.579 3.674 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)c1ccccc1 ZINC001314648540 1070752537 /nfs/dbraw/zinc/75/25/37/1070752537.db2.gz GXVJTVYQSXERAI-AZUAARDMSA-N 1 0 475.519 3.586 20 0 JHADRO Cn1cc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2C[C@H](c2ccco2)[NH+](C)C)cn1 ZINC001314649065 1070754295 /nfs/dbraw/zinc/75/42/95/1070754295.db2.gz LENMYKCTMAVQET-CQSZACIVSA-N 1 0 491.440 3.896 20 0 JHADRO CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1C[N@H+](CC(C)C)CCO1)C1CCCCC1 ZINC001313624825 1070754558 /nfs/dbraw/zinc/75/45/58/1070754558.db2.gz ZPTITZWIIJAUMD-WWNPGLIZSA-N 1 0 463.667 3.518 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC=C(Br)C1)c1cccs1 ZINC001314649383 1070755539 /nfs/dbraw/zinc/75/55/39/1070755539.db2.gz AHHPRGNHLHBGSF-ZBFHGGJFSA-N 1 0 452.422 3.635 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC001314649347 1070755589 /nfs/dbraw/zinc/75/55/89/1070755589.db2.gz VPIFNPBSXBLGNF-UYAOXDASSA-N 1 0 483.642 3.808 20 0 JHADRO Cn1cc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)cn1 ZINC001314649746 1070756920 /nfs/dbraw/zinc/75/69/20/1070756920.db2.gz OMBUDWXADPWBAA-JOCHJYFZSA-N 1 0 472.037 3.624 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001313628575 1070759344 /nfs/dbraw/zinc/75/93/44/1070759344.db2.gz VWHXTBUDBSVDAU-HXUWFJFHSA-N 1 0 461.676 3.951 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)c1ccco1 ZINC001314652740 1070764160 /nfs/dbraw/zinc/76/41/60/1070764160.db2.gz WKVFSZKGLVAJKX-FGTMMUONSA-N 1 0 471.524 3.616 20 0 JHADRO CCN(CC(C)C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001313634137 1070765559 /nfs/dbraw/zinc/76/55/59/1070765559.db2.gz MZZYTZPOKITKIN-BHIFYINESA-N 1 0 492.709 3.888 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cccnc3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CCC1 ZINC001314656725 1070775540 /nfs/dbraw/zinc/77/55/40/1070775540.db2.gz OFJMARNNWURPHC-LJQANCHMSA-N 1 0 469.634 3.566 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CCOCC1 ZINC001314654159 1070767886 /nfs/dbraw/zinc/76/78/86/1070767886.db2.gz WJJHKEWXHREJDR-HXUWFJFHSA-N 1 0 493.599 3.909 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCC2(C)C)CCOCC1 ZINC001314654371 1070768372 /nfs/dbraw/zinc/76/83/72/1070768372.db2.gz ZHDXOXKWYGLDAL-UHFFFAOYSA-N 1 0 451.413 3.525 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)C1CC1 ZINC001314654698 1070769820 /nfs/dbraw/zinc/76/98/20/1070769820.db2.gz LECNFRSEEAXMON-URXFXBBRSA-N 1 0 495.590 3.770 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1)c1ccsc1 ZINC001314655421 1070772039 /nfs/dbraw/zinc/77/20/39/1070772039.db2.gz QPAWCOKLAJETST-IBGZPJMESA-N 1 0 491.086 3.915 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCCOCC2)CCSC1 ZINC001314657349 1070776249 /nfs/dbraw/zinc/77/62/49/1070776249.db2.gz ACUOXJRFDSQCPN-OAQYLSRUSA-N 1 0 468.092 3.888 20 0 JHADRO CCN(CC)C(=O)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001313637302 1070774832 /nfs/dbraw/zinc/77/48/32/1070774832.db2.gz OUZPMAWWNQOGQO-XMMPIXPASA-N 1 0 482.673 3.623 20 0 JHADRO C[NH+](C)C1(Cn2c(N3CCC([C@@H](O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CCOCC1 ZINC001314657351 1070776384 /nfs/dbraw/zinc/77/63/84/1070776384.db2.gz AEGRPUMWLINALT-QFIPXVFZSA-N 1 0 473.637 3.776 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CCCc3ccccc3)nnc2N2CCN(CC(F)(F)F)CC2)CCSC1 ZINC001314657743 1070777196 /nfs/dbraw/zinc/77/71/96/1070777196.db2.gz DUWZROOKQTYDRR-HSZRJFAPSA-N 1 0 496.647 3.575 20 0 JHADRO C[NH+](C)C1(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC001314657766 1070777375 /nfs/dbraw/zinc/77/73/75/1070777375.db2.gz FKULBGWJOXJCJU-OAQYLSRUSA-N 1 0 498.672 3.877 20 0 JHADRO C[NH+](C)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CCC1 ZINC001314658034 1070778380 /nfs/dbraw/zinc/77/83/80/1070778380.db2.gz OTPFRNAOZKYSCM-SFHVURJKSA-N 1 0 474.675 3.538 20 0 JHADRO C[NH+](C)C1(Cn2c(CC(C)(C)C)nnc2N2CCS(=O)(=O)C3(CCCCC3)C2)CCCC1 ZINC001314660184 1070783957 /nfs/dbraw/zinc/78/39/57/1070783957.db2.gz SMHFCIDCPWAZSY-UHFFFAOYSA-N 1 0 465.708 3.679 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(Cn2nc(C)cc2C)n1CC[NH+]1CCCCCC1 ZINC001313638240 1070779073 /nfs/dbraw/zinc/77/90/73/1070779073.db2.gz ZCRGDJWRNDDQHM-VWLOTQADSA-N 1 0 479.673 3.884 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CC(C)(C)C)nnc2N2CC[C@](O)(c3cccc(F)c3)C2)CCSC1 ZINC001314658574 1070779531 /nfs/dbraw/zinc/77/95/31/1070779531.db2.gz DJCDCNSHJZKTTM-BJKOFHAPSA-N 1 0 461.651 3.541 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccccn3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CCCC1 ZINC001314658582 1070779964 /nfs/dbraw/zinc/77/99/64/1070779964.db2.gz DMAQAAJGZRZOHZ-QFIPXVFZSA-N 1 0 480.579 3.668 20 0 JHADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001309455940 1070780602 /nfs/dbraw/zinc/78/06/02/1070780602.db2.gz DKCNGRZWNUHTSP-QHCPKHFHSA-N 1 0 458.605 3.878 20 0 JHADRO C[NH+](C)C1(Cn2c(N3C[C@@H](C4CC4)[C@H](NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)CCC1 ZINC001314659665 1070782316 /nfs/dbraw/zinc/78/23/16/1070782316.db2.gz IIGSJINLWGAOIX-RBUKOAKNSA-N 1 0 460.667 3.799 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccccn3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CCCCC1 ZINC001314660523 1070784449 /nfs/dbraw/zinc/78/44/49/1070784449.db2.gz UWCXNGAYGFEHEI-NRFANRHFSA-N 1 0 483.661 3.632 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCOCC1 ZINC001314663383 1070790748 /nfs/dbraw/zinc/79/07/48/1070790748.db2.gz TWAGPOSJFNFVAE-UHFFFAOYSA-N 1 0 454.388 3.661 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C[NH+](C)C ZINC001314663198 1070791081 /nfs/dbraw/zinc/79/10/81/1070791081.db2.gz PKMGSMMUUPFSOK-UHFFFAOYSA-N 1 0 490.406 3.505 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(Cc2csc(C)n2)n1CC[N@@H+]1CCC[C@H]1C ZINC001313640779 1070786137 /nfs/dbraw/zinc/78/61/37/1070786137.db2.gz TYMWEDWHRJNCKZ-AUSIDOKSSA-N 1 0 468.671 3.986 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC1([NH+](C)C)CCOCC1 ZINC001313641352 1070787292 /nfs/dbraw/zinc/78/72/92/1070787292.db2.gz UUQYWNUKOQWQIR-JOCHJYFZSA-N 1 0 499.059 3.973 20 0 JHADRO COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c(Cl)c1 ZINC001309474275 1070793390 /nfs/dbraw/zinc/79/33/90/1070793390.db2.gz MUEKKTDUPFCIKJ-UHFFFAOYSA-N 1 0 450.988 3.837 20 0 JHADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1cccc(C(=O)N(C)CC)c1)c1ccc(Cl)cc1 ZINC001309486503 1070800949 /nfs/dbraw/zinc/80/09/49/1070800949.db2.gz RNFLTYZXFRSWCN-OAQYLSRUSA-N 1 0 452.020 3.793 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001314667332 1070801164 /nfs/dbraw/zinc/80/11/64/1070801164.db2.gz KDBMKSHMZPBKMG-LJQANCHMSA-N 1 0 490.052 3.621 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001314664942 1070796142 /nfs/dbraw/zinc/79/61/42/1070796142.db2.gz HILYULZMJWZNKB-QGZVFWFLSA-N 1 0 460.598 3.775 20 0 JHADRO CCN(CC)C(=O)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001313644201 1070796477 /nfs/dbraw/zinc/79/64/77/1070796477.db2.gz LUMKUCCEYNERJW-UHFFFAOYSA-N 1 0 473.065 3.845 20 0 JHADRO CCN(CC)C(=O)CCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001313644084 1070796573 /nfs/dbraw/zinc/79/65/73/1070796573.db2.gz RPVXVUPZJBKUMA-QHCPKHFHSA-N 1 0 474.694 3.523 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001314665321 1070796653 /nfs/dbraw/zinc/79/66/53/1070796653.db2.gz NTGRCZLNUMNDBM-UHFFFAOYSA-N 1 0 459.038 3.681 20 0 JHADRO CN(c1ccccc1)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001314665490 1070797349 /nfs/dbraw/zinc/79/73/49/1070797349.db2.gz IEZGCKZMQVNUGO-UHFFFAOYSA-N 1 0 461.658 3.957 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC001314666776 1070800054 /nfs/dbraw/zinc/80/00/54/1070800054.db2.gz ZYANMMGETNKWFU-NRFANRHFSA-N 1 0 452.578 3.649 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C(C)(C)C)C2)c1 ZINC001314666979 1070800222 /nfs/dbraw/zinc/80/02/22/1070800222.db2.gz DEUPPIYRHZOYBM-QFIPXVFZSA-N 1 0 496.681 3.631 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC001314667362 1070801713 /nfs/dbraw/zinc/80/17/13/1070801713.db2.gz LLYJSHBDBZNSOG-YKSBVNFPSA-N 1 0 495.590 3.812 20 0 JHADRO Cn1cc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2ccc(OCCC[NH+](C)C)cc2)cn1 ZINC001314667498 1070801884 /nfs/dbraw/zinc/80/18/84/1070801884.db2.gz MVPJRFPNBPNJGD-HHHXNRCGSA-N 1 0 495.672 3.699 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(C2CCCC2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001314667691 1070802278 /nfs/dbraw/zinc/80/22/78/1070802278.db2.gz KNYAIZHQPVPHJF-BGYRXZFFSA-N 1 0 460.667 3.827 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)c1 ZINC001314669083 1070806809 /nfs/dbraw/zinc/80/68/09/1070806809.db2.gz WEIIYXYKUMBJGL-MUUNZHRXSA-N 1 0 492.668 3.894 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC001314669287 1070807493 /nfs/dbraw/zinc/80/74/93/1070807493.db2.gz ZVLRTCSBIRPVPH-NHCUHLMSSA-N 1 0 497.562 3.666 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(-c3cccc(Br)c3)nnc2N2CC=CCC2)CC1 ZINC001314669375 1070807740 /nfs/dbraw/zinc/80/77/40/1070807740.db2.gz CWWDAIRKJJUVIA-UHFFFAOYSA-N 1 0 473.463 3.748 20 0 JHADRO C[NH+](C)CCOCCn1c(Cc2ccsc2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001314671019 1070813783 /nfs/dbraw/zinc/81/37/83/1070813783.db2.gz HVPQAEVXOIIQPU-UHFFFAOYSA-N 1 0 497.591 3.565 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccccc3F)nnc2N2CCSC(C)(C)C2)CC1 ZINC001314671387 1070814324 /nfs/dbraw/zinc/81/43/24/1070814324.db2.gz WHPDCMXVOLTOOY-UHFFFAOYSA-N 1 0 460.667 3.690 20 0 JHADRO CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H](C)C3)cc21 ZINC001309505333 1070815279 /nfs/dbraw/zinc/81/52/79/1070815279.db2.gz GBWUHRXJWOQXHV-UXHICEINSA-N 1 0 455.624 3.689 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001314676509 1070821276 /nfs/dbraw/zinc/82/12/76/1070821276.db2.gz IYKHYDZYWXYRJW-YADHBBJMSA-N 1 0 473.687 3.501 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC001313651252 1070825531 /nfs/dbraw/zinc/82/55/31/1070825531.db2.gz ZDMKMSLCZNOEHU-XMMPIXPASA-N 1 0 481.689 3.898 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccccc1OC ZINC001313652034 1070828374 /nfs/dbraw/zinc/82/83/74/1070828374.db2.gz ONYPFWMKEYPXEW-PZJWPPBQSA-N 1 0 454.619 3.595 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccccc1OC ZINC001313652032 1070828549 /nfs/dbraw/zinc/82/85/49/1070828549.db2.gz ONYPFWMKEYPXEW-FPOVZHCZSA-N 1 0 454.619 3.595 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001313652452 1070829738 /nfs/dbraw/zinc/82/97/38/1070829738.db2.gz TVOUIGQDSXEMFN-FPOVZHCZSA-N 1 0 479.604 3.864 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C)CC1 ZINC001313656091 1070847897 /nfs/dbraw/zinc/84/78/97/1070847897.db2.gz DTDDRGHRWHEQLN-SFHVURJKSA-N 1 0 461.680 3.513 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001313656190 1070848902 /nfs/dbraw/zinc/84/89/02/1070848902.db2.gz GOHVLJCTRDRVCS-OSSBIZBUSA-N 1 0 459.610 3.885 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1nncn1C ZINC001313656155 1070849054 /nfs/dbraw/zinc/84/90/54/1070849054.db2.gz FRYJJGKEAQMKDI-QWFCFKBJSA-N 1 0 470.597 3.758 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001313656434 1070850061 /nfs/dbraw/zinc/85/00/61/1070850061.db2.gz JETBFRVBSCHQNY-IBGZPJMESA-N 1 0 497.619 3.553 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](COC)C1 ZINC001313656436 1070850441 /nfs/dbraw/zinc/85/04/41/1070850441.db2.gz BSDBSRCAXRTFOM-HKUYNNGSSA-N 1 0 480.451 3.598 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1Cc1nnc(C(C)(C)C)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC001314693254 1070853446 /nfs/dbraw/zinc/85/34/46/1070853446.db2.gz GWRUILRUSOHPFO-UHFFFAOYSA-N 1 0 499.733 3.861 20 0 JHADRO CN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCC1)C1CCCCC1 ZINC001314693431 1070853683 /nfs/dbraw/zinc/85/36/83/1070853683.db2.gz XUEJNTVHLOBBAS-FQEVSTJZSA-N 1 0 476.666 3.840 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 ZINC001313656967 1070853736 /nfs/dbraw/zinc/85/37/36/1070853736.db2.gz IAMLYWRAKYSPOP-GOSISDBHSA-N 1 0 472.037 3.947 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001313657667 1070856324 /nfs/dbraw/zinc/85/63/24/1070856324.db2.gz NIMNXFRUWDUZKD-NVXWUHKLSA-N 1 0 488.485 3.996 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001313658112 1070858922 /nfs/dbraw/zinc/85/89/22/1070858922.db2.gz XIVOCLRSEJKSOI-XLIONFOSSA-N 1 0 487.450 3.871 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001313658523 1070859581 /nfs/dbraw/zinc/85/95/81/1070859581.db2.gz AUTGZMQUTKBNIP-IBGZPJMESA-N 1 0 482.032 3.686 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H]1CCOC1 ZINC001313659113 1070860864 /nfs/dbraw/zinc/86/08/64/1070860864.db2.gz DUPKPHXKNKYTOL-DOTOQJQBSA-N 1 0 466.424 3.672 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001313658845 1070861085 /nfs/dbraw/zinc/86/10/85/1070861085.db2.gz CSBWBENAHRUKPN-RDJZCZTQSA-N 1 0 462.023 3.758 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001313659448 1070863117 /nfs/dbraw/zinc/86/31/17/1070863117.db2.gz HSNIVKRMIAAXIA-RBBKRZOGSA-N 1 0 452.647 3.726 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCOC1 ZINC001313660014 1070864840 /nfs/dbraw/zinc/86/48/40/1070864840.db2.gz MZRZNHLYJXVRML-SJORKVTESA-N 1 0 450.425 3.911 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313660260 1070865704 /nfs/dbraw/zinc/86/57/04/1070865704.db2.gz PFMBUUYONPSQMF-VCBZYWHSSA-N 1 0 469.508 3.560 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(F)cc2)CC1 ZINC001313661054 1070867727 /nfs/dbraw/zinc/86/77/27/1070867727.db2.gz CIPJDQPJXYHWMB-HXUWFJFHSA-N 1 0 451.594 3.845 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(F)F)CC1 ZINC001313661595 1070868077 /nfs/dbraw/zinc/86/80/77/1070868077.db2.gz YKBDUZZNUASETK-GOSISDBHSA-N 1 0 457.573 3.611 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCCCCC1 ZINC001313661357 1070868486 /nfs/dbraw/zinc/86/84/86/1070868486.db2.gz FJFWUCWUSSFXBT-IBGZPJMESA-N 1 0 461.680 3.739 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001313662181 1070870174 /nfs/dbraw/zinc/87/01/74/1070870174.db2.gz PDJVZBPILYRCNM-SFHVURJKSA-N 1 0 489.628 3.874 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001313663186 1070871314 /nfs/dbraw/zinc/87/13/14/1070871314.db2.gz HEPAEGMCKMMXBC-GGAORHGYSA-N 1 0 474.694 3.869 20 0 JHADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cc(C)c(OCc3ccccc3)c(C)c2)CC1 ZINC001309592367 1070873172 /nfs/dbraw/zinc/87/31/72/1070873172.db2.gz DOUIADDBRZRAAZ-UHFFFAOYSA-N 1 0 459.656 3.577 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(Cc2cscn2)CC1)c1ccco1 ZINC001313663728 1070873526 /nfs/dbraw/zinc/87/35/26/1070873526.db2.gz HACZSEBZXMOZML-FQEVSTJZSA-N 1 0 457.648 3.856 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(Br)c2)n1CCC[NH+]1CCCCC1 ZINC001314705024 1070874262 /nfs/dbraw/zinc/87/42/62/1070874262.db2.gz ZOUYFVZXZZGVJA-UHFFFAOYSA-N 1 0 491.478 3.935 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1)c1ccco1 ZINC001313664219 1070875013 /nfs/dbraw/zinc/87/50/13/1070875013.db2.gz LILWZTUMNIRYGQ-ICSRJNTNSA-N 1 0 470.622 3.652 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313664832 1070878281 /nfs/dbraw/zinc/87/82/81/1070878281.db2.gz AKLSVUDSINZCHX-UWJYYQICSA-N 1 0 461.573 3.828 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001313664997 1070878894 /nfs/dbraw/zinc/87/88/94/1070878894.db2.gz PFRDYRRPKFECEG-ICSRJNTNSA-N 1 0 462.042 3.625 20 0 JHADRO O=S(=O)(Cc1ccc(F)cc1Br)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001309603676 1070878898 /nfs/dbraw/zinc/87/88/98/1070878898.db2.gz FEOODDXPJROXGT-UZLBHIALSA-N 1 0 453.377 3.624 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(F)ccc2C1)c1ccco1 ZINC001313665317 1070879272 /nfs/dbraw/zinc/87/92/72/1070879272.db2.gz RCFGJGWLWIOWSI-OAQYLSRUSA-N 1 0 468.577 3.794 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001313665458 1070879885 /nfs/dbraw/zinc/87/98/85/1070879885.db2.gz DWFYROWFRZYGAV-LJQANCHMSA-N 1 0 467.618 3.971 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314708464 1070881553 /nfs/dbraw/zinc/88/15/53/1070881553.db2.gz NNHUORPITLELIF-UHFFFAOYSA-N 1 0 491.080 3.983 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H]1C(C)C ZINC001313666313 1070883943 /nfs/dbraw/zinc/88/39/43/1070883943.db2.gz SVASOCZYJVYYOM-IFMALSPDSA-N 1 0 454.667 3.807 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314709208 1070884548 /nfs/dbraw/zinc/88/45/48/1070884548.db2.gz WWIIYDFLMVQNGB-JOCHJYFZSA-N 1 0 493.681 3.996 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(C(C)(C)C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314710854 1070889666 /nfs/dbraw/zinc/88/96/66/1070889666.db2.gz ACRGBAXLQMKSJS-FQEVSTJZSA-N 1 0 477.053 3.541 20 0 JHADRO CN(CC(C)(C)C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314709428 1070884886 /nfs/dbraw/zinc/88/48/86/1070884886.db2.gz CIZHAHBVIIOOHT-IBGZPJMESA-N 1 0 455.470 3.955 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001313667608 1070889725 /nfs/dbraw/zinc/88/97/25/1070889725.db2.gz YJDWXEOMZGMYQD-NJYVYQBISA-N 1 0 492.709 3.984 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C ZINC001313666754 1070885702 /nfs/dbraw/zinc/88/57/02/1070885702.db2.gz IZOPIEMRURYHNY-RBUKOAKNSA-N 1 0 464.655 3.696 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001313666869 1070886519 /nfs/dbraw/zinc/88/65/19/1070886519.db2.gz VJFOTFVVUMKQES-PXNSSMCTSA-N 1 0 461.680 3.650 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001313668485 1070892052 /nfs/dbraw/zinc/89/20/52/1070892052.db2.gz QMMSOIIAJKFOQG-BURNTYAHSA-N 1 0 478.682 3.799 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313668640 1070893189 /nfs/dbraw/zinc/89/31/89/1070893189.db2.gz RAJZMJZNWRROQE-RBBKRZOGSA-N 1 0 470.662 3.897 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CC(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001313668847 1070893538 /nfs/dbraw/zinc/89/35/38/1070893538.db2.gz SOUIODFQYPIXCD-NRFANRHFSA-N 1 0 472.653 3.627 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001313669186 1070894173 /nfs/dbraw/zinc/89/41/73/1070894173.db2.gz UBEWTKMPLBOGQZ-RTBURBONSA-N 1 0 464.655 3.744 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001313670069 1070896195 /nfs/dbraw/zinc/89/61/95/1070896195.db2.gz YYFTXFCRCGHVIW-PTUXOGIPSA-N 1 0 457.619 3.581 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001313670271 1070896296 /nfs/dbraw/zinc/89/62/96/1070896296.db2.gz GIPXCAHTKGIODQ-FQEVSTJZSA-N 1 0 493.631 3.663 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001313670129 1070896907 /nfs/dbraw/zinc/89/69/07/1070896907.db2.gz ZFKJLEPOACQCMP-XUZZJYLKSA-N 1 0 481.645 3.516 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001313670337 1070896962 /nfs/dbraw/zinc/89/69/62/1070896962.db2.gz YJCSAKGTBUHFBN-UWHLTILDSA-N 1 0 478.682 3.640 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)NC)CC1)c1ccsc1 ZINC001313672020 1070901613 /nfs/dbraw/zinc/90/16/13/1070901613.db2.gz LZNCZYZYRRATIY-OAQYLSRUSA-N 1 0 469.659 3.770 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)NC)C1)c1ccco1 ZINC001313672178 1070901839 /nfs/dbraw/zinc/90/18/39/1070901839.db2.gz DYWNIZVNTBBAPU-UNMCSNQZSA-N 1 0 464.614 3.892 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccccc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314713704 1070902449 /nfs/dbraw/zinc/90/24/49/1070902449.db2.gz MPZCCYAEUTWEEE-UHFFFAOYSA-N 1 0 468.690 3.862 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 ZINC001313673366 1070907102 /nfs/dbraw/zinc/90/71/02/1070907102.db2.gz FBVKNSRIGOYCJK-QPTUXGOLSA-N 1 0 468.646 3.565 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1)c1ccco1 ZINC001313673765 1070908606 /nfs/dbraw/zinc/90/86/06/1070908606.db2.gz GNBIERFJPCUZTG-FQEVSTJZSA-N 1 0 487.004 3.513 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC001313673691 1070908665 /nfs/dbraw/zinc/90/86/65/1070908665.db2.gz KUYWTBAQSOGFNC-UYAOXDASSA-N 1 0 471.005 3.976 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccsc1 ZINC001313675870 1070918962 /nfs/dbraw/zinc/91/89/62/1070918962.db2.gz SABZOHQPCGULDX-OFNKIYASSA-N 1 0 496.681 3.977 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 ZINC001313674235 1070910754 /nfs/dbraw/zinc/91/07/54/1070910754.db2.gz NTCMKIVVZNVVNT-VWLOTQADSA-N 1 0 475.641 3.870 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCCN(C(C)=O)CC1)c1ccsc1 ZINC001313674068 1070910760 /nfs/dbraw/zinc/91/07/60/1070910760.db2.gz MLINXUIQWQTSEI-JOCHJYFZSA-N 1 0 467.643 3.543 20 0 JHADRO Cc1cccc(Oc2ccc(S(=O)(=O)NCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)cc2)c1 ZINC001309668923 1070913203 /nfs/dbraw/zinc/91/32/03/1070913203.db2.gz AVRSJSAMIPVVOG-JOCHJYFZSA-N 1 0 452.576 3.832 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(N2CCOC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccco1 ZINC001313674801 1070913499 /nfs/dbraw/zinc/91/34/99/1070913499.db2.gz KSAXUHKJTHUTRW-NBGIEHNGSA-N 1 0 475.634 3.610 20 0 JHADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(OCC2CCCCC2)cc1 ZINC001309670724 1070915000 /nfs/dbraw/zinc/91/50/00/1070915000.db2.gz PBNIQULFMXVCGS-UHFFFAOYSA-N 1 0 450.645 3.815 20 0 JHADRO CN(Cc1c(F)cccc1Cl)c1nnc(-c2ccccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314720756 1070916475 /nfs/dbraw/zinc/91/64/75/1070916475.db2.gz ZMYCPHZXBXGISO-UHFFFAOYSA-N 1 0 472.012 3.795 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCOC1)c1ccsc1 ZINC001313675521 1070916537 /nfs/dbraw/zinc/91/65/37/1070916537.db2.gz PARRJWHNZMOKAR-LEWJYISDSA-N 1 0 457.648 3.509 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 ZINC001313675598 1070917450 /nfs/dbraw/zinc/91/74/50/1070917450.db2.gz UONKCDGJXWUFOV-WIYYLYMNSA-N 1 0 450.587 3.597 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](OC)C(C)(C)C1)c1ccco1 ZINC001313676898 1070922729 /nfs/dbraw/zinc/92/27/29/1070922729.db2.gz GSNIPSUNKBDPSF-IRLDBZIGSA-N 1 0 452.603 3.801 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 ZINC001313677853 1070926831 /nfs/dbraw/zinc/92/68/31/1070926831.db2.gz MOBITIZLDYOZQY-ICDZXHCJSA-N 1 0 482.673 3.608 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCNC2=O)CC1)c1ccco1 ZINC001313677851 1070926935 /nfs/dbraw/zinc/92/69/35/1070926935.db2.gz MKKMBKSZDOHRID-NRFANRHFSA-N 1 0 485.677 3.927 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc([C@@H]2CCCCO2)n1CC1([NH+](C)C)CCOCC1 ZINC001314725545 1070930522 /nfs/dbraw/zinc/93/05/22/1070930522.db2.gz OZJSAGCJDCLZRP-KRWDZBQOSA-N 1 0 482.423 3.622 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(C)C1)c1ccccc1 ZINC001313678848 1070932202 /nfs/dbraw/zinc/93/22/02/1070932202.db2.gz OUXSBIRIQILVFK-GOTSBHOMSA-N 1 0 471.671 3.810 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc(Cc2cccnc2)n1CC[N@H+]1CC=CCC1 ZINC001314726213 1070933141 /nfs/dbraw/zinc/93/31/41/1070933141.db2.gz PGDFNVTUVMEVPS-UHFFFAOYSA-N 1 0 467.415 3.925 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314727040 1070936343 /nfs/dbraw/zinc/93/63/43/1070936343.db2.gz XFYBKFOIBOBMHM-CABCVRRESA-N 1 0 493.431 3.586 20 0 JHADRO CN(Cc1ccc(Br)cc1)c1nnc(-c2cccn2C)n1CC[NH+]1CCSCC1 ZINC001314728310 1070941381 /nfs/dbraw/zinc/94/13/81/1070941381.db2.gz YSCDAAZFQFHCKQ-UHFFFAOYSA-N 1 0 475.460 3.731 20 0 JHADRO CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313682309 1070942826 /nfs/dbraw/zinc/94/28/26/1070942826.db2.gz ILFSSDQYFCIRAE-UHFFFAOYSA-N 1 0 468.415 3.928 20 0 JHADRO CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001313687723 1070947580 /nfs/dbraw/zinc/94/75/80/1070947580.db2.gz XAGQJLKNWCMYEO-IBGZPJMESA-N 1 0 451.619 3.814 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314731566 1070950267 /nfs/dbraw/zinc/95/02/67/1070950267.db2.gz NXKAYWSOEKKAOF-QRWLVFNGSA-N 1 0 456.081 3.961 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 ZINC001313691649 1070951493 /nfs/dbraw/zinc/95/14/93/1070951493.db2.gz SENQITZTLXDCQO-JOCHJYFZSA-N 1 0 495.603 3.763 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(NC(C)=O)c2)CC1 ZINC001313692826 1070953355 /nfs/dbraw/zinc/95/33/55/1070953355.db2.gz CBZSKKVHVIXNLY-UHFFFAOYSA-N 1 0 481.670 3.951 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001313692843 1070953423 /nfs/dbraw/zinc/95/34/23/1070953423.db2.gz CPFGNPUCJGCWQS-GOSISDBHSA-N 1 0 499.651 3.829 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001313693329 1070954016 /nfs/dbraw/zinc/95/40/16/1070954016.db2.gz CTGDJMUVEVRHAL-UHFFFAOYSA-N 1 0 456.635 3.569 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2(C(=O)N(C)C)CCCC2)CC1 ZINC001313695032 1070958635 /nfs/dbraw/zinc/95/86/35/1070958635.db2.gz ZYKHJSLPLSTGDI-UHFFFAOYSA-N 1 0 496.700 3.837 20 0 JHADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1Cl ZINC001309755441 1070955213 /nfs/dbraw/zinc/95/52/13/1070955213.db2.gz SPEUMMCORJYHIZ-WBVHZDCISA-N 1 0 451.976 3.565 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC001313695099 1070958753 /nfs/dbraw/zinc/95/87/53/1070958753.db2.gz LVROZPSPIWFTAP-OAQYLSRUSA-N 1 0 483.661 3.671 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CC(C)C)n2CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC001313694100 1070955842 /nfs/dbraw/zinc/95/58/42/1070955842.db2.gz DDFBWRPMISEIIK-UHFFFAOYSA-N 1 0 454.663 3.732 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001313694138 1070956019 /nfs/dbraw/zinc/95/60/19/1070956019.db2.gz DRMQFAKDRYCSTD-KRWDZBQOSA-N 1 0 466.552 3.749 20 0 JHADRO CN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314734788 1070957886 /nfs/dbraw/zinc/95/78/86/1070957886.db2.gz KCMLXSIJEVAHPT-OALUTQOASA-N 1 0 460.554 3.508 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cc(C)nn2C)CC1 ZINC001313691853 1070952789 /nfs/dbraw/zinc/95/27/89/1070952789.db2.gz YXUVELVHTKQZEE-LJQANCHMSA-N 1 0 469.609 3.958 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(OC)CCCC2)CC1 ZINC001313696455 1070963175 /nfs/dbraw/zinc/96/31/75/1070963175.db2.gz HIGHOYGPRRWAGB-UHFFFAOYSA-N 1 0 489.686 3.618 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCNC(C)=O)CC1 ZINC001313696392 1070963366 /nfs/dbraw/zinc/96/33/66/1070963366.db2.gz GQXUVFXILPPCIL-SFHVURJKSA-N 1 0 472.703 3.968 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001313697182 1070965179 /nfs/dbraw/zinc/96/51/79/1070965179.db2.gz LSBBUXNIVXJMHC-SFHVURJKSA-N 1 0 480.078 3.734 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)C(C)C)CC1 ZINC001313698274 1070970089 /nfs/dbraw/zinc/97/00/89/1070970089.db2.gz WFPPNQLWMXQXAS-VWLOTQADSA-N 1 0 459.635 3.680 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCCO)CC1 ZINC001313697762 1070968352 /nfs/dbraw/zinc/96/83/52/1070968352.db2.gz UBYPDAOEFGXJEN-NRFANRHFSA-N 1 0 478.682 3.823 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2cncn2)CC1 ZINC001313697818 1070968365 /nfs/dbraw/zinc/96/83/65/1070968365.db2.gz VZSZNFZHRORVBQ-UHFFFAOYSA-N 1 0 480.661 3.757 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001313697937 1070968835 /nfs/dbraw/zinc/96/88/35/1070968835.db2.gz XWQXSHKQGCJRFJ-ZWKOTPCHSA-N 1 0 462.639 3.718 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001313698333 1070970384 /nfs/dbraw/zinc/97/03/84/1070970384.db2.gz YDHCGDMCELFPKQ-JGCGQSQUSA-N 1 0 459.660 3.566 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)COC)CC1 ZINC001313698635 1070971096 /nfs/dbraw/zinc/97/10/96/1070971096.db2.gz AYNPWNKAILTZPL-QGZVFWFLSA-N 1 0 497.471 3.525 20 0 JHADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(C2CCCC2)n1CC[N@H+](C)C1CCCC1 ZINC001314739326 1070972334 /nfs/dbraw/zinc/97/23/34/1070972334.db2.gz LHRUNZSCJPYRAD-UHFFFAOYSA-N 1 0 459.660 3.850 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CC[C@@H](C)C2)CC1 ZINC001313699018 1070972462 /nfs/dbraw/zinc/97/24/62/1070972462.db2.gz QOFZIXFVMJHENE-QPPBQGQZSA-N 1 0 496.700 3.901 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001313699316 1070973356 /nfs/dbraw/zinc/97/33/56/1070973356.db2.gz WFPULXXXSQUIFD-VWNXMTODSA-N 1 0 466.674 3.604 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2Cc2c(C)coc2C)CC1 ZINC001313699496 1070973921 /nfs/dbraw/zinc/97/39/21/1070973921.db2.gz KLBMYNFQVZUCPY-UHFFFAOYSA-N 1 0 485.032 3.847 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(N3CCN(C(=O)OC)[C@@H](C)C3)nnc2C(C)(C)C)cc1 ZINC001313699701 1070974802 /nfs/dbraw/zinc/97/48/02/1070974802.db2.gz HIFKSVONRWZXDF-IBGZPJMESA-N 1 0 456.635 3.743 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC2=CCCCC2)CC1 ZINC001313700043 1070976052 /nfs/dbraw/zinc/97/60/52/1070976052.db2.gz UGMSJJAJLGZGLQ-UHFFFAOYSA-N 1 0 450.631 3.744 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(N3CCC[C@H]3c3nncn3C)nnc2C(C)(C)C)cc1 ZINC001313699719 1070975326 /nfs/dbraw/zinc/97/53/26/1070975326.db2.gz ICLSECIRWDVXRT-NRFANRHFSA-N 1 0 450.635 3.936 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(C)C)nnc2N2CCO[C@H](c3noc(C)n3)C2)c1 ZINC001313700643 1070977492 /nfs/dbraw/zinc/97/74/92/1070977492.db2.gz WAKUKCHFXQBXKU-NRFANRHFSA-N 1 0 453.591 3.561 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C(F)F)C2)c1 ZINC001313700400 1070977525 /nfs/dbraw/zinc/97/75/25/1070977525.db2.gz SWSKXPTXLZCEML-HXUWFJFHSA-N 1 0 462.589 3.788 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N(C)CC2COC(C)(C)OC2)c1 ZINC001313703285 1070986829 /nfs/dbraw/zinc/98/68/29/1070986829.db2.gz NGPNEOLCGVVQGN-HSZRJFAPSA-N 1 0 471.646 3.507 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC(F)(F)CO2)C1 ZINC001313702256 1070983431 /nfs/dbraw/zinc/98/34/31/1070983431.db2.gz NLXVJVLOGHVRSK-HKUYNNGSSA-N 1 0 479.572 3.555 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(C)C)nnc2N2CCN([C@@H](C)c3nc(C)no3)CC2)cc1 ZINC001313703218 1070986054 /nfs/dbraw/zinc/98/60/54/1070986054.db2.gz GPGCPAAYQVYTOO-FQEVSTJZSA-N 1 0 480.661 3.866 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)NC)CC1 ZINC001313703664 1070987349 /nfs/dbraw/zinc/98/73/49/1070987349.db2.gz CWGYUFBRLAZYLS-UHFFFAOYSA-N 1 0 463.630 3.516 20 0 JHADRO CN(Cc1cccc(F)c1)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314745117 1070987862 /nfs/dbraw/zinc/98/78/62/1070987862.db2.gz PUDDFSNPCYJDLP-UHFFFAOYSA-N 1 0 465.577 3.965 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 ZINC001313703924 1070988548 /nfs/dbraw/zinc/98/85/48/1070988548.db2.gz IKFULSGPKRFKOY-DHIUTWEWSA-N 1 0 482.673 3.903 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313704134 1070989766 /nfs/dbraw/zinc/98/97/66/1070989766.db2.gz GTAOPKYEYSJIIK-LOSJGSFVSA-N 1 0 496.700 3.803 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3C[C@@H](C)O[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001313704493 1070990494 /nfs/dbraw/zinc/99/04/94/1070990494.db2.gz XDXZHBODZZLRPN-XXAUWVGASA-N 1 0 485.673 3.822 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313704449 1070990554 /nfs/dbraw/zinc/99/05/54/1070990554.db2.gz WEUNTBPJSJKLEB-IBGZPJMESA-N 1 0 456.635 3.922 20 0 JHADRO CN(Cc1ccccc1C(F)(F)F)c1nnc(-c2ccccn2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314746347 1070991190 /nfs/dbraw/zinc/99/11/90/1070991190.db2.gz ILWQYOXZGOKZBX-LJQANCHMSA-N 1 0 474.531 3.842 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(CC)C1 ZINC001313704588 1070991144 /nfs/dbraw/zinc/99/11/44/1070991144.db2.gz KJYBSSJVAOHFHF-AREMUKBSSA-N 1 0 452.647 3.917 20 0 JHADRO CN(Cc1ccccc1)C(=O)Cn1c(CC2CCCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314747132 1070994425 /nfs/dbraw/zinc/99/44/25/1070994425.db2.gz VAXGRCUPPUPCQD-UHFFFAOYSA-N 1 0 466.674 3.980 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1C(C)(C)C ZINC001313705808 1070994349 /nfs/dbraw/zinc/99/43/49/1070994349.db2.gz VFSLXJQUJUZQKT-XUZZJYLKSA-N 1 0 468.690 3.623 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CC2(c3ccccc3C)CC2)CC1 ZINC001313705648 1070994374 /nfs/dbraw/zinc/99/43/74/1070994374.db2.gz WHFXQDORUPFGPU-UHFFFAOYSA-N 1 0 480.701 3.897 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2scnc2C)cc1 ZINC001313705768 1070994448 /nfs/dbraw/zinc/99/44/48/1070994448.db2.gz UXGSKMAVXDZCQH-FQEVSTJZSA-N 1 0 467.643 3.521 20 0 JHADRO C[N@@H+](Cc1ccccc1)CC1CCN(c2nnc(C(C)(C)C)n2CCCn2ccnn2)CC1 ZINC001314748576 1070998245 /nfs/dbraw/zinc/99/82/45/1070998245.db2.gz HBVBFBGSLLFKHT-UHFFFAOYSA-N 1 0 450.635 3.606 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)C1 ZINC001313705970 1070995547 /nfs/dbraw/zinc/99/55/47/1070995547.db2.gz GOWAMAPTUBVNFZ-SFHVURJKSA-N 1 0 457.610 3.575 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)C)nnc2N2CCOC3(CCOCC3)C2)cc1 ZINC001313706371 1070996431 /nfs/dbraw/zinc/99/64/31/1070996431.db2.gz VMVSYGCDHDOKKX-UHFFFAOYSA-N 1 0 455.647 3.753 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(C)C)CC2)cc1 ZINC001313706466 1070996446 /nfs/dbraw/zinc/99/64/46/1070996446.db2.gz XOGBEDKBOUVAEK-HSZRJFAPSA-N 1 0 452.647 3.992 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001313706804 1070996834 /nfs/dbraw/zinc/99/68/34/1070996834.db2.gz FNMXIFCBHOVLTE-FQEVSTJZSA-N 1 0 464.618 3.583 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C)c2)C1 ZINC001313707140 1070997395 /nfs/dbraw/zinc/99/73/95/1070997395.db2.gz LDOWOEXQBFXCAI-JYFHCDHNSA-N 1 0 455.647 3.844 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001313708168 1070999772 /nfs/dbraw/zinc/99/97/72/1070999772.db2.gz YDEBULGJZATCID-OALUTQOASA-N 1 0 459.639 3.602 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)COC)C1 ZINC001313708502 1071000091 /nfs/dbraw/zinc/00/00/91/1071000091.db2.gz XIWAIJHPYIHSPD-QGZVFWFLSA-N 1 0 481.483 3.887 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(OC)nc2)C1 ZINC001313708786 1071000516 /nfs/dbraw/zinc/00/05/16/1071000516.db2.gz ZKOMREXNBLUHMO-JOCHJYFZSA-N 1 0 491.640 3.767 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[C@@H](O)C2)C1 ZINC001313708633 1071000776 /nfs/dbraw/zinc/00/07/76/1071000776.db2.gz YFYXUNFVKKPNTJ-JENIJYKNSA-N 1 0 479.467 3.755 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(F)cn2)C1 ZINC001313709186 1071001523 /nfs/dbraw/zinc/00/15/23/1071001523.db2.gz HZOVFQTZPCSFKJ-FQEVSTJZSA-N 1 0 452.578 3.916 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(F)cn2)C1 ZINC001313709187 1071001688 /nfs/dbraw/zinc/00/16/88/1071001688.db2.gz HZOVFQTZPCSFKJ-HXUWFJFHSA-N 1 0 452.578 3.916 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCO2)C1 ZINC001313709542 1071002350 /nfs/dbraw/zinc/00/23/50/1071002350.db2.gz NIFMJDJCWMHQGS-FNAHDJPLSA-N 1 0 490.693 3.786 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2COCCO2)C1 ZINC001313709718 1071002933 /nfs/dbraw/zinc/00/29/33/1071002933.db2.gz PNTPRPJKGSHYTC-URXFXBBRSA-N 1 0 485.673 3.738 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001313711615 1071006783 /nfs/dbraw/zinc/00/67/83/1071006783.db2.gz FMPNUYTUODZULE-UHFFFAOYSA-N 1 0 488.485 3.997 20 0 JHADRO CCN1CCCN(c2nnc(-c3cc(F)ccc3Br)n2CCC[NH+](CC)CC)CC1=O ZINC001313711725 1071007176 /nfs/dbraw/zinc/00/71/76/1071007176.db2.gz PXCFRHKLQMLFCY-UHFFFAOYSA-N 1 0 495.441 3.637 20 0 JHADRO CN(Cc1ccccn1)c1nnc(COc2ccc(Br)cc2)n1CC[NH+]1CCCC1 ZINC001314754347 1071007327 /nfs/dbraw/zinc/00/73/27/1071007327.db2.gz BMTXQIYQNWFVLZ-UHFFFAOYSA-N 1 0 471.403 3.747 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001313712129 1071008066 /nfs/dbraw/zinc/00/80/66/1071008066.db2.gz SIYKOMUUWFRDRP-KRWDZBQOSA-N 1 0 489.466 3.505 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(F)cn2)C1 ZINC001313710306 1071004165 /nfs/dbraw/zinc/00/41/65/1071004165.db2.gz YIAKSASKHMMBLE-GOSISDBHSA-N 1 0 456.541 3.747 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001313712810 1071009779 /nfs/dbraw/zinc/00/97/79/1071009779.db2.gz UYSNCIWRTMRLPJ-FQEVSTJZSA-N 1 0 489.462 3.641 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(OC)c2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001313713200 1071010149 /nfs/dbraw/zinc/01/01/49/1071010149.db2.gz XHIAWBNNFFBQEY-UHFFFAOYSA-N 1 0 451.619 3.803 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCn2cc(Br)cn2)C1 ZINC001313713749 1071010783 /nfs/dbraw/zinc/01/07/83/1071010783.db2.gz TZAPYFZZKZXWRJ-QGZVFWFLSA-N 1 0 466.472 3.694 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(Cl)nc2)C1 ZINC001313713583 1071010803 /nfs/dbraw/zinc/01/08/03/1071010803.db2.gz RKPQXAKLXFGJFR-SFHVURJKSA-N 1 0 460.051 3.899 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccn2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001313714553 1071012106 /nfs/dbraw/zinc/01/21/06/1071012106.db2.gz LFXOPRWFZHDAPP-UHFFFAOYSA-N 1 0 466.605 3.785 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001313714701 1071012813 /nfs/dbraw/zinc/01/28/13/1071012813.db2.gz OCZXFXFZDLYJKW-WOJBJXKFSA-N 1 0 489.462 3.687 20 0 JHADRO CN(Cc1cccs1)c1nnc(CCc2ccccc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314758962 1071013368 /nfs/dbraw/zinc/01/33/68/1071013368.db2.gz QOBZOYZZNOBLIV-UHFFFAOYSA-N 1 0 452.672 3.787 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001313715054 1071013472 /nfs/dbraw/zinc/01/34/72/1071013472.db2.gz BQUYQSZZWBPPTE-JOCHJYFZSA-N 1 0 475.641 3.870 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001313716763 1071016379 /nfs/dbraw/zinc/01/63/79/1071016379.db2.gz AAPROLHIXVIFBW-GCJKJVERSA-N 1 0 463.573 3.760 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCOC2(C1)CCCCCC2 ZINC001313717646 1071017374 /nfs/dbraw/zinc/01/73/74/1071017374.db2.gz HSDSNIFJRNYTOJ-QFIPXVFZSA-N 1 0 463.667 3.808 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314761527 1071018577 /nfs/dbraw/zinc/01/85/77/1071018577.db2.gz ZICKRLXCJRMPOC-LJQANCHMSA-N 1 0 492.455 3.859 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1Br ZINC001313719186 1071019790 /nfs/dbraw/zinc/01/97/90/1071019790.db2.gz JOORVWUAEYBMSK-QGZVFWFLSA-N 1 0 477.451 3.643 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC001313720140 1071021152 /nfs/dbraw/zinc/02/11/52/1071021152.db2.gz UQXHQDKOXRUHNO-RTBURBONSA-N 1 0 473.691 3.925 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001313721994 1071025626 /nfs/dbraw/zinc/02/56/26/1071025626.db2.gz VCNFHPCPYCOMKZ-TYCQWZJGSA-N 1 0 466.001 3.852 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSCC1 ZINC001313720192 1071021190 /nfs/dbraw/zinc/02/11/90/1071021190.db2.gz HDQMYOBMZGRQGK-SFHVURJKSA-N 1 0 452.669 3.635 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1 ZINC001313720438 1071021435 /nfs/dbraw/zinc/02/14/35/1071021435.db2.gz KBHRASZIXQYSDC-CLAROIROSA-N 1 0 490.693 3.943 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001313722093 1071025775 /nfs/dbraw/zinc/02/57/75/1071025775.db2.gz XBRJLAMGHZZMQK-FOIQADDNSA-N 1 0 490.008 3.607 20 0 JHADRO COC(=O)c1cc(C)c(F)c(S(=O)(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC001309935292 1071022292 /nfs/dbraw/zinc/02/22/92/1071022292.db2.gz AHNFSZQNNXBICY-UHFFFAOYSA-N 1 0 456.539 3.578 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(Cc2ccccn2)n1CC[N@H+](C)C1CCCC1 ZINC001314763387 1071022231 /nfs/dbraw/zinc/02/22/31/1071022231.db2.gz USXDHKYUJBTSSS-UHFFFAOYSA-N 1 0 476.551 3.527 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccc(Br)s2)nnc1N1CCOCC2(CC2)C1 ZINC001313721243 1071023273 /nfs/dbraw/zinc/02/32/73/1071023273.db2.gz XLNJQLUPCMCPNO-UHFFFAOYSA-N 1 0 498.491 3.744 20 0 JHADRO CN(Cc1cnccn1)c1nnc(-c2ccc(Br)s2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314764196 1071024372 /nfs/dbraw/zinc/02/43/72/1071024372.db2.gz SVZUHLCGNSCVDG-LJQANCHMSA-N 1 0 494.488 3.633 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1CCOC1 ZINC001313721859 1071025270 /nfs/dbraw/zinc/02/52/70/1071025270.db2.gz UDKYVAYMWXQOHZ-GDBMZVCRSA-N 1 0 454.388 3.802 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313723737 1071029161 /nfs/dbraw/zinc/02/91/61/1071029161.db2.gz LQVKZMRSFPSUIH-HSALFYBXSA-N 1 0 465.646 3.888 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001313722475 1071026751 /nfs/dbraw/zinc/02/67/51/1071026751.db2.gz BWZHZVUVKLZUPQ-XMSQKQJNSA-N 1 0 451.619 3.927 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC(C)(C)C1 ZINC001313722439 1071026761 /nfs/dbraw/zinc/02/67/61/1071026761.db2.gz ABGBEPIOJSFSFB-LJQANCHMSA-N 1 0 476.691 3.552 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H]1CCCOC1 ZINC001313722443 1071026769 /nfs/dbraw/zinc/02/67/69/1071026769.db2.gz AFUPDBXPJGCVOO-SJORKVTESA-N 1 0 467.456 3.639 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001313722474 1071026791 /nfs/dbraw/zinc/02/67/91/1071026791.db2.gz BWZHZVUVKLZUPQ-GCJKJVERSA-N 1 0 451.619 3.927 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001313725278 1071031960 /nfs/dbraw/zinc/03/19/60/1071031960.db2.gz IIXSBNGGXIZAAG-MRXNPFEDSA-N 1 0 458.573 3.561 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccsc1 ZINC001313725257 1071032103 /nfs/dbraw/zinc/03/21/03/1071032103.db2.gz IEEQFNZIOMHVBZ-LJQANCHMSA-N 1 0 468.675 3.880 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCC1 ZINC001313725240 1071032147 /nfs/dbraw/zinc/03/21/47/1071032147.db2.gz HQDOFYHFUFRELZ-CTNGQTDRSA-N 1 0 478.682 3.943 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(C(C)(C)C)n1CCCC[NH+]1CCOCC1 ZINC001314770225 1071032497 /nfs/dbraw/zinc/03/24/97/1071032497.db2.gz BJPJQUFZAXHLDU-UHFFFAOYSA-N 1 0 460.570 3.800 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001313725502 1071033141 /nfs/dbraw/zinc/03/31/41/1071033141.db2.gz KOJSETUUGVITBH-YFVAEKQCSA-N 1 0 492.462 3.853 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3C[C@@H](C)[NH+](CC)CC)CCO2)cn1 ZINC001313726157 1071034097 /nfs/dbraw/zinc/03/40/97/1071034097.db2.gz ADXOFZIHBIZCQO-JMJGKCIBSA-N 1 0 487.693 3.721 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 ZINC001313725948 1071034119 /nfs/dbraw/zinc/03/41/19/1071034119.db2.gz VNRVPWLPPXQBQY-ZCNNSNEGSA-N 1 0 464.655 3.553 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(Cc2cccnc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314771160 1071035142 /nfs/dbraw/zinc/03/51/42/1071035142.db2.gz HXROKASILODCCE-MRXNPFEDSA-N 1 0 465.549 3.716 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(I)cc2C)[C@@H](C)C1 ZINC001309977808 1071036268 /nfs/dbraw/zinc/03/62/68/1071036268.db2.gz HNMRRCCQIXHIGR-YJBOKZPZSA-N 1 0 459.372 3.858 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](SC)C1 ZINC001313727459 1071037190 /nfs/dbraw/zinc/03/71/90/1071037190.db2.gz AQUYMXAEXARHAV-TZIWHRDSSA-N 1 0 455.676 3.969 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001313728168 1071038679 /nfs/dbraw/zinc/03/86/79/1071038679.db2.gz QCXAKIIZKZIEQF-WZONZLPQSA-N 1 0 470.568 3.850 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(-c2cccc(Br)c2)n1CC[N@H+]1CC=CCC1 ZINC001314773601 1071042479 /nfs/dbraw/zinc/04/24/79/1071042479.db2.gz AYHICQDYQQAVDD-UHFFFAOYSA-N 1 0 490.837 3.993 20 0 JHADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC001309993371 1071042767 /nfs/dbraw/zinc/04/27/67/1071042767.db2.gz BVDICUPBZACRCR-GOSISDBHSA-N 1 0 455.024 3.653 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(COc2ccccc2F)n1CC1([NH+](C)C)CCC1 ZINC001314773077 1071040565 /nfs/dbraw/zinc/04/05/65/1071040565.db2.gz MWLMQWWGNFVQBW-UHFFFAOYSA-N 1 0 461.973 3.504 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001313730428 1071044594 /nfs/dbraw/zinc/04/45/94/1071044594.db2.gz YCNLYUKVAYFBKN-KRWDZBQOSA-N 1 0 483.082 3.515 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001313731022 1071046021 /nfs/dbraw/zinc/04/60/21/1071046021.db2.gz DJSUINAGFLGYOE-WBVHZDCISA-N 1 0 451.040 3.845 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(CC(C)(C)C)n1CC[N@H+]1CC=CCC1 ZINC001313733989 1071053096 /nfs/dbraw/zinc/05/30/96/1071053096.db2.gz PESQSFZIUODEPH-UHFFFAOYSA-N 1 0 452.647 3.857 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001313736884 1071059197 /nfs/dbraw/zinc/05/91/97/1071059197.db2.gz YTZBHXLRAIPETP-NRFANRHFSA-N 1 0 456.610 3.687 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001313736337 1071058037 /nfs/dbraw/zinc/05/80/37/1071058037.db2.gz WBSKUWSVCBHRGU-KNQAVFIVSA-N 1 0 454.619 3.529 20 0 JHADRO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001310017957 1071062242 /nfs/dbraw/zinc/06/22/42/1071062242.db2.gz BDKXXSJCESLPIT-HXUWFJFHSA-N 1 0 458.628 3.844 20 0 JHADRO CN(CC1CC1)c1nnc(-c2ccc(F)cc2Br)n1CC1([NH+](C)C)CCOCC1 ZINC001314788149 1071064899 /nfs/dbraw/zinc/06/48/99/1071064899.db2.gz SSYYNZAFXMXNRT-UHFFFAOYSA-N 1 0 466.399 3.804 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001313740435 1071065555 /nfs/dbraw/zinc/06/55/55/1071065555.db2.gz BHRWGAMADHBGRY-AWRGLXIESA-N 1 0 487.714 3.883 20 0 JHADRO CC1(C)CN(C(=O)Nc2cccc(OCC(N)=O)c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001310022093 1071066571 /nfs/dbraw/zinc/06/65/71/1071066571.db2.gz WGMQIZVNMPIJLK-XMMPIXPASA-N 1 0 450.583 3.705 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001313741312 1071067394 /nfs/dbraw/zinc/06/73/94/1071067394.db2.gz MNXMRZMNTGSZMP-JOCHJYFZSA-N 1 0 473.687 3.780 20 0 JHADRO CN(CC1CCC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C1CCCC1 ZINC001314790448 1071067565 /nfs/dbraw/zinc/06/75/65/1071067565.db2.gz FRGWXVRPNRHGGA-NRFANRHFSA-N 1 0 476.666 3.697 20 0 JHADRO CN(CC1CCC1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314792879 1071070689 /nfs/dbraw/zinc/07/06/89/1071070689.db2.gz CQQKQPJNVVUZBJ-NRFANRHFSA-N 1 0 460.667 3.969 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313748327 1071078646 /nfs/dbraw/zinc/07/86/46/1071078646.db2.gz YFJJLYWFBORZFT-UHFFFAOYSA-N 1 0 465.621 3.840 20 0 JHADRO C[N@H+](Cc1ccccc1NC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1)C1CCCCC1 ZINC001310044421 1071081177 /nfs/dbraw/zinc/08/11/77/1071081177.db2.gz RJONKEQLPDXZEY-XMMPIXPASA-N 1 0 451.615 3.869 20 0 JHADRO C[NH+]1CCN(c2ccccc2NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001310045446 1071081889 /nfs/dbraw/zinc/08/18/89/1071081889.db2.gz GMAOCSUHTGRTLT-ACDBMABISA-N 1 0 457.619 3.738 20 0 JHADRO Cc1cc(NC(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)ccc1N1CC[NH+](C)CC1 ZINC001310060287 1071090824 /nfs/dbraw/zinc/09/08/24/1071090824.db2.gz QUQNRQLFYHPYGQ-VXKWHMMOSA-N 1 0 457.619 3.753 20 0 JHADRO CN(C[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314805260 1071091062 /nfs/dbraw/zinc/09/10/62/1071091062.db2.gz SLGMMMUYIJEULH-QHCPKHFHSA-N 1 0 497.688 3.833 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314804402 1071089079 /nfs/dbraw/zinc/08/90/79/1071089079.db2.gz ZSAMTJYXASJPND-NRFANRHFSA-N 1 0 489.686 3.618 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(F)cc2Br)n1CC[NH+]1CCSCC1 ZINC001314806175 1071092794 /nfs/dbraw/zinc/09/27/94/1071092794.db2.gz HOKABMPDIZWGQE-INIZCTEOSA-N 1 0 498.466 3.758 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(Cl)c2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314807656 1071097125 /nfs/dbraw/zinc/09/71/25/1071097125.db2.gz VKICHQYWPADJSN-KNQAVFIVSA-N 1 0 462.038 3.698 20 0 JHADRO Cc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC001310072239 1071097838 /nfs/dbraw/zinc/09/78/38/1071097838.db2.gz NREDBJPWMJZDEB-IBGZPJMESA-N 1 0 450.649 3.803 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(COc2cc(C)cc(C)c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001313756587 1071099870 /nfs/dbraw/zinc/09/98/70/1071099870.db2.gz SSDLPAGJFIMFOC-OAQYLSRUSA-N 1 0 451.619 3.718 20 0 JHADRO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(CC(C)(C)C)n1CCCC[NH+]1CCOCC1 ZINC001313759493 1071106416 /nfs/dbraw/zinc/10/64/16/1071106416.db2.gz GNUMIVSPBVCDRL-UHFFFAOYSA-N 1 0 481.645 3.654 20 0 JHADRO CCN(CC1CC1)c1nnc(-c2ccc(F)cc2Br)n1CCC[NH+]1CCC(O)CC1 ZINC001313760171 1071107379 /nfs/dbraw/zinc/10/73/79/1071107379.db2.gz DQAISKWAJDBPLX-UHFFFAOYSA-N 1 0 480.426 3.930 20 0 JHADRO CN(C[C@@H]1CCOC1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314812469 1071109821 /nfs/dbraw/zinc/10/98/21/1071109821.db2.gz WYXJNCWRVVFYNG-KXBFYZLASA-N 1 0 493.475 3.883 20 0 JHADRO CCN(CC1CCC1)c1nnc(-c2cc(Br)c[nH]2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001313768108 1071116311 /nfs/dbraw/zinc/11/63/11/1071116311.db2.gz FYPJUILGKIVJES-UHFFFAOYSA-N 1 0 492.510 3.936 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313771645 1071122702 /nfs/dbraw/zinc/12/27/02/1071122702.db2.gz KPAWLYVAFQHYMH-LNLFQRSKSA-N 1 0 495.466 3.540 20 0 JHADRO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314817076 1071125336 /nfs/dbraw/zinc/12/53/36/1071125336.db2.gz VRHYEJLCOOMHLJ-ZFWWWQNUSA-N 1 0 454.438 3.582 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CC=CCC1 ZINC001314818371 1071127814 /nfs/dbraw/zinc/12/78/14/1071127814.db2.gz CFWYFYRFWAMCIM-UHFFFAOYSA-N 1 0 496.475 3.866 20 0 JHADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccc(F)cc3)c2)n1 ZINC001310118975 1071132477 /nfs/dbraw/zinc/13/24/77/1071132477.db2.gz WRVUKOBRPCQEEP-IRLDBZIGSA-N 1 0 451.502 3.755 20 0 JHADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)N[C@@H](C[NH+](C)C)c3ccc(F)cc3)c2)c1C ZINC001310116838 1071129726 /nfs/dbraw/zinc/12/97/26/1071129726.db2.gz RXIDREGKPZRLSC-QFIPXVFZSA-N 1 0 453.518 3.921 20 0 JHADRO CCOC(=O)c1cnn(-c2ccc(NC(=O)N(C)CC[N@H+](C)C3CC3)cc2)c1C(F)(F)F ZINC001310117286 1071130458 /nfs/dbraw/zinc/13/04/58/1071130458.db2.gz YAEBNCAPPWMCMG-UHFFFAOYSA-N 1 0 453.465 3.626 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001313775332 1071131057 /nfs/dbraw/zinc/13/10/57/1071131057.db2.gz FUFCVCVQJOWXKS-LEWJYISDSA-N 1 0 492.462 3.560 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001313777540 1071135621 /nfs/dbraw/zinc/13/56/21/1071135621.db2.gz CRLJWGWHOSLISJ-FCHUYYIVSA-N 1 0 490.693 3.738 20 0 JHADRO CN(CCC(F)(F)F)c1nnc([C@H]2CCOC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001314821662 1071139024 /nfs/dbraw/zinc/13/90/24/1071139024.db2.gz QXQBQKNMOWLBAD-KRWDZBQOSA-N 1 0 461.598 3.922 20 0 JHADRO C[NH+](C)CCOc1cccc(NC(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)c1 ZINC001310130871 1071142394 /nfs/dbraw/zinc/14/23/94/1071142394.db2.gz PERCPIXUXMSOEP-NHCUHLMSSA-N 1 0 478.515 3.696 20 0 JHADRO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C(C)C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001313780145 1071144196 /nfs/dbraw/zinc/14/41/96/1071144196.db2.gz XGLJLGHALRMYKB-QFIPXVFZSA-N 1 0 469.678 3.508 20 0 JHADRO CN(CCc1ccc(Cl)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314828782 1071156862 /nfs/dbraw/zinc/15/68/62/1071156862.db2.gz JETPVQMYZUYJBW-FQEVSTJZSA-N 1 0 459.038 3.684 20 0 JHADRO CN(CCc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314832663 1071167589 /nfs/dbraw/zinc/16/75/89/1071167589.db2.gz GOAZRJYCNOKSBN-CEMLEFRQSA-N 1 0 475.703 3.784 20 0 JHADRO CN(CCc1cnccn1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314834043 1071171966 /nfs/dbraw/zinc/17/19/66/1071171966.db2.gz TXACZLLTSLWVJT-XMMPIXPASA-N 1 0 477.657 3.558 20 0 JHADRO CN(CCc1ccccc1F)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+](C)C)CCC1 ZINC001314834014 1071172060 /nfs/dbraw/zinc/17/20/60/1071172060.db2.gz XOGVHCGBUFJLCA-UHFFFAOYSA-N 1 0 470.618 3.572 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)C[NH+]2CCOCC2)C1)CC(F)(F)F ZINC001313788160 1071172928 /nfs/dbraw/zinc/17/29/28/1071172928.db2.gz ZBECGCBNHABUEO-VQTJNVASSA-N 1 0 486.627 3.615 20 0 JHADRO CN(CCC1CCOCC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCC1 ZINC001314838231 1071182254 /nfs/dbraw/zinc/18/22/54/1071182254.db2.gz SGZCXCVDGQBBNN-UHFFFAOYSA-N 1 0 489.064 3.599 20 0 JHADRO CCN(CCc1cccs1)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@@H](C)[NH+](C)C ZINC001313791685 1071187386 /nfs/dbraw/zinc/18/73/86/1071187386.db2.gz AEWNJTUKQFHIAX-MRXNPFEDSA-N 1 0 451.600 3.675 20 0 JHADRO CCN(CCC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCC(C)CC1 ZINC001313795651 1071194504 /nfs/dbraw/zinc/19/45/04/1071194504.db2.gz FVKQAZMQWKRPNS-JOCHJYFZSA-N 1 0 490.693 3.945 20 0 JHADRO CCN(CCC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001313795873 1071195401 /nfs/dbraw/zinc/19/54/01/1071195401.db2.gz JLLVALIFZJZPEZ-RBBKRZOGSA-N 1 0 490.693 3.945 20 0 JHADRO C[C@H](NC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001310192917 1071198247 /nfs/dbraw/zinc/19/82/47/1071198247.db2.gz PWZNMGKBXYSRCZ-HKUYNNGSSA-N 1 0 450.649 3.679 20 0 JHADRO Cn1cc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCC[N@H+](C)Cc2ccccc2)cn1 ZINC001314845117 1071200312 /nfs/dbraw/zinc/20/03/12/1071200312.db2.gz LBUCZHYVKKBWOD-SANMLTNESA-N 1 0 465.646 3.842 20 0 JHADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1 ZINC001310204250 1071205159 /nfs/dbraw/zinc/20/51/59/1071205159.db2.gz ADKCUNNOGGGNIL-UHFFFAOYSA-N 1 0 454.546 3.742 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)C1CC1 ZINC001313802757 1071209561 /nfs/dbraw/zinc/20/95/61/1071209561.db2.gz JANXBKVFAGSJLO-NRFANRHFSA-N 1 0 484.645 3.884 20 0 JHADRO CC[N@H+](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(N)=O)CC1)C(C)C ZINC001313803720 1071212859 /nfs/dbraw/zinc/21/28/59/1071212859.db2.gz ZJFKBKQGAOPTAR-KRWDZBQOSA-N 1 0 463.026 3.504 20 0 JHADRO CC[N@H+](CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)C1CC1 ZINC001313804174 1071213397 /nfs/dbraw/zinc/21/33/97/1071213397.db2.gz CIVXIQNNGJDGGM-OAQYLSRUSA-N 1 0 489.064 3.597 20 0 JHADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC001313804178 1071214415 /nfs/dbraw/zinc/21/44/15/1071214415.db2.gz AYCHWVJLAXIPMC-UHFFFAOYSA-N 1 0 466.552 3.900 20 0 JHADRO CC[N@H+](CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C ZINC001313805523 1071219476 /nfs/dbraw/zinc/21/94/76/1071219476.db2.gz KNZOEOLXSLOFJD-ZWKOTPCHSA-N 1 0 458.676 3.529 20 0 JHADRO CN(CCCn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC001314850566 1071216405 /nfs/dbraw/zinc/21/64/05/1071216405.db2.gz HYJPGKDGNWERIO-UHFFFAOYSA-N 1 0 497.688 3.976 20 0 JHADRO Cc1cc(SC2CCCCC2)ccc1NC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001310220990 1071216935 /nfs/dbraw/zinc/21/69/35/1071216935.db2.gz VVQYFLVHGIKUPI-UHFFFAOYSA-N 1 0 458.632 3.938 20 0 JHADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC001313805014 1071217992 /nfs/dbraw/zinc/21/79/92/1071217992.db2.gz HUVHPHOAVTVVAZ-INIZCTEOSA-N 1 0 469.540 3.885 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(=O)OC)C1)C1CC1 ZINC001313805254 1071218740 /nfs/dbraw/zinc/21/87/40/1071218740.db2.gz IUFJEHXNHWHPMJ-KRWDZBQOSA-N 1 0 476.419 3.581 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1)C(C)C ZINC001313805165 1071218910 /nfs/dbraw/zinc/21/89/10/1071218910.db2.gz NYRMTFYMCJMFFC-QUCCMNQESA-N 1 0 479.467 3.924 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1[C@H]1CCCO1)C(C)C ZINC001313805163 1071219021 /nfs/dbraw/zinc/21/90/21/1071219021.db2.gz NYRMTFYMCJMFFC-AZUAARDMSA-N 1 0 479.467 3.924 20 0 JHADRO CC[N@H+](CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCS(C)(=O)=O)C1CC1 ZINC001313804274 1071214196 /nfs/dbraw/zinc/21/41/96/1071214196.db2.gz DIWQHUXIIBRCPV-UHFFFAOYSA-N 1 0 482.075 3.778 20 0 JHADRO Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC001310226391 1071220788 /nfs/dbraw/zinc/22/07/88/1071220788.db2.gz GRYCGKQJOOYLAJ-SANMLTNESA-N 1 0 452.599 3.529 20 0 JHADRO CN(CCCn1c(Cc2ccccn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314851153 1071221290 /nfs/dbraw/zinc/22/12/90/1071221290.db2.gz VNSAZWKPOSMQQW-QFIPXVFZSA-N 1 0 483.661 3.586 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC(=O)N(C)[C@@H](C)C1)C1CC1 ZINC001313806770 1071225206 /nfs/dbraw/zinc/22/52/06/1071225206.db2.gz XUCQGDOGHWASLW-AWEZNQCLSA-N 1 0 495.853 3.512 20 0 JHADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)CCC(F)(F)F ZINC001313806453 1071224375 /nfs/dbraw/zinc/22/43/75/1071224375.db2.gz WOTWTZLMMNORPJ-GOSISDBHSA-N 1 0 488.599 3.572 20 0 JHADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1)C(C)C ZINC001313806491 1071224481 /nfs/dbraw/zinc/22/44/81/1071224481.db2.gz XSGTZXCWHRRRKR-NRFANRHFSA-N 1 0 484.645 3.603 20 0 JHADRO CCN(CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001313807819 1071230276 /nfs/dbraw/zinc/23/02/76/1071230276.db2.gz AKFBNXVCHXYEQJ-UHFFFAOYSA-N 1 0 484.645 3.743 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)C(C)C ZINC001313807862 1071230292 /nfs/dbraw/zinc/23/02/92/1071230292.db2.gz BZRZRNIMARJGNG-NRFANRHFSA-N 1 0 466.634 3.734 20 0 JHADRO CC[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(I)c2)C[C@@H]1C ZINC001310255169 1071228391 /nfs/dbraw/zinc/22/83/91/1071228391.db2.gz DIUFNGAOBGYHPO-JTQLQIEISA-N 1 0 452.134 3.612 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)c2ccsc2)CC1)C(C)C ZINC001313807411 1071228729 /nfs/dbraw/zinc/22/87/29/1071228729.db2.gz MJPZKYAWSBQGHR-UHFFFAOYSA-N 1 0 452.628 3.699 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)CCC(F)(F)F ZINC001313807717 1071229246 /nfs/dbraw/zinc/22/92/46/1071229246.db2.gz WHLGCJNNHPMEPI-XMSQKQJNSA-N 1 0 467.536 3.604 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)=O)CC1)CCC(F)(F)F ZINC001313807987 1071230862 /nfs/dbraw/zinc/23/08/62/1071230862.db2.gz GYRBJGDTCACKKP-UHFFFAOYSA-N 1 0 472.943 3.541 20 0 JHADRO CC[N@H+](CCn1c(-c2cccn2C)nnc1N(C)C1CCC2(CC1)OCCO2)CCC(F)(F)F ZINC001313809726 1071237996 /nfs/dbraw/zinc/23/79/96/1071237996.db2.gz JYQWVOMDNDGHKK-UHFFFAOYSA-N 1 0 484.567 3.680 20 0 JHADRO CC[N@H+](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H]1CCOC1)CCC(F)(F)F ZINC001313810341 1071241116 /nfs/dbraw/zinc/24/11/16/1071241116.db2.gz JIGVBSGFPVPQBC-KRWDZBQOSA-N 1 0 464.536 3.936 20 0 JHADRO CCN(CCn1c(-c2ccccc2C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)OC(C)(C)C ZINC001313809905 1071239345 /nfs/dbraw/zinc/23/93/45/1071239345.db2.gz ZYULOKOJQGJLLV-QFIPXVFZSA-N 1 0 498.672 3.812 20 0 JHADRO CC[N@H+](CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](OC)C1)CCC(F)(F)F ZINC001313809918 1071239691 /nfs/dbraw/zinc/23/96/91/1071239691.db2.gz FEVGNQMLMDJHHL-KRWDZBQOSA-N 1 0 464.536 3.936 20 0 JHADRO C[C@H]1C[C@@H](NC(=O)Nc2cc(I)ccc2Br)CC[N@@H+]1C ZINC001310254421 1071240982 /nfs/dbraw/zinc/24/09/82/1071240982.db2.gz CUEOLZOUFMSMFK-ONGXEEELSA-N 1 0 452.134 3.658 20 0 JHADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Nc1ccc(Br)c(I)c1 ZINC001310255423 1071242255 /nfs/dbraw/zinc/24/22/55/1071242255.db2.gz JDOFZDIIJJJKDJ-SNVBAGLBSA-N 1 0 452.134 3.660 20 0 JHADRO CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1)CCC(F)(F)F ZINC001313810923 1071243980 /nfs/dbraw/zinc/24/39/80/1071243980.db2.gz OYOACTMXVDDHNG-XMMPIXPASA-N 1 0 490.574 3.964 20 0 JHADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc(Br)c(I)c2)C1 ZINC001310257022 1071244387 /nfs/dbraw/zinc/24/43/87/1071244387.db2.gz SXDYUGXQZKLOFK-JGZJWPJOSA-N 1 0 452.134 3.515 20 0 JHADRO CC[N@H+](CCn1c(-c2cccnc2)nnc1N1CCOC[C@@H](C2CCC2)C1)CCC(F)(F)F ZINC001313811096 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CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(F)ccc3Br)n2Cc2cnn(C)c2C)C[C@@H]1C ZINC001313858350 1071359400 /nfs/dbraw/zinc/35/94/00/1071359400.db2.gz APUBNGJDOQQKGW-GJZGRUSLSA-N 1 0 490.425 3.856 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(F)F)c2)C[C@@H]1C ZINC001313858013 1071356970 /nfs/dbraw/zinc/35/69/70/1071356970.db2.gz DVXLMFVPEVECJX-ZWKOTPCHSA-N 1 0 460.573 3.593 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](F)COC)C[C@@H]1C ZINC001313858567 1071360992 /nfs/dbraw/zinc/36/09/92/1071360992.db2.gz BRZMXGJBHARNRW-JYJNAYRXSA-N 1 0 484.414 3.620 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001313859185 1071362360 /nfs/dbraw/zinc/36/23/60/1071362360.db2.gz FKAQBWRVSPVTML-RTBURBONSA-N 1 0 475.641 3.704 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(F)c(F)c2)C[C@H]1C ZINC001313859434 1071363679 /nfs/dbraw/zinc/36/36/79/1071363679.db2.gz FYHYHOVKBHBNEN-HHJKRLRDSA-N 1 0 477.600 3.759 20 0 JHADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC(C)(C)C)CC1 ZINC001314923750 1071366653 /nfs/dbraw/zinc/36/66/53/1071366653.db2.gz GXCFBVKNPIIQND-LJQANCHMSA-N 1 0 474.053 3.563 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001314928913 1071371458 /nfs/dbraw/zinc/37/14/58/1071371458.db2.gz QCUXCUGVRWDGBE-NRFANRHFSA-N 1 0 458.695 3.968 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001314928020 1071370756 /nfs/dbraw/zinc/37/07/56/1071370756.db2.gz JKRQQVBTZTUPHP-HBMCJLEFSA-N 1 0 490.693 3.786 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001314929557 1071372746 /nfs/dbraw/zinc/37/27/46/1071372746.db2.gz VQBCPDGHAVUZHU-FQEVSTJZSA-N 1 0 480.078 3.732 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nnc(C)s2)C[C@@H]1C ZINC001313862435 1071377178 /nfs/dbraw/zinc/37/71/78/1071377178.db2.gz AEUZBLGLQFYJDD-GJZGRUSLSA-N 1 0 476.050 3.929 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(Cl)c2C)C[C@H]1C ZINC001313861541 1071374245 /nfs/dbraw/zinc/37/42/45/1071374245.db2.gz NNQQPZPCCUKTMH-ZIFCJYIRSA-N 1 0 450.027 3.931 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1C ZINC001313861645 1071375136 /nfs/dbraw/zinc/37/51/36/1071375136.db2.gz QFWLGZRJBDABBL-UXHICEINSA-N 1 0 498.672 3.530 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCSCc2ccccc2F)C[C@H]1C ZINC001313862238 1071376586 /nfs/dbraw/zinc/37/65/86/1071376586.db2.gz SDLQAARIBMSBPF-RTBURBONSA-N 1 0 497.644 3.917 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2c(C)noc2C)C[C@H]1C ZINC001313863846 1071383171 /nfs/dbraw/zinc/38/31/71/1071383171.db2.gz UIGSVWWQDTYVQG-CABCVRRESA-N 1 0 490.450 3.813 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCCNC(C)=O)C[C@H]1C ZINC001313863294 1071381708 /nfs/dbraw/zinc/38/17/08/1071381708.db2.gz SWHSSCBDKSQFJM-MSOLQXFVSA-N 1 0 481.670 3.822 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313863834 1071383216 /nfs/dbraw/zinc/38/32/16/1071383216.db2.gz UDJDGRMENDEUGA-BZSNNMDCSA-N 1 0 486.558 3.970 20 0 JHADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)N2CCC(C3(O)CC3)CC2)cc1Cl ZINC001310420033 1071379585 /nfs/dbraw/zinc/37/95/85/1071379585.db2.gz HWUJWWIWKXERGI-UHFFFAOYSA-N 1 0 451.011 3.571 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCn2nc(C)cc2C)C[C@@H]1C ZINC001313863183 1071380470 /nfs/dbraw/zinc/38/04/70/1071380470.db2.gz VAKSANJHKUPTIL-SFTDATJTSA-N 1 0 481.645 3.785 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2c(C)noc2C)C[C@@H]1C ZINC001313863847 1071384004 /nfs/dbraw/zinc/38/40/04/1071384004.db2.gz UIGSVWWQDTYVQG-GJZGRUSLSA-N 1 0 490.450 3.813 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001313863960 1071384117 /nfs/dbraw/zinc/38/41/17/1071384117.db2.gz FFZDFMWUFMXKBL-IJEWVQPXSA-N 1 0 460.932 3.880 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)C[C@@H]1C ZINC001313864766 1071388439 /nfs/dbraw/zinc/38/84/39/1071388439.db2.gz VXDWBOKSFXHXMS-GBESFXJTSA-N 1 0 495.603 3.878 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001313864767 1071388557 /nfs/dbraw/zinc/38/85/57/1071388557.db2.gz HBUFAPUNJFVQOT-RBUKOAKNSA-N 1 0 482.032 3.651 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(CC)(CC)OC)C[C@H]1C ZINC001313865517 1071393153 /nfs/dbraw/zinc/39/31/53/1071393153.db2.gz DYZSGCOPWGHNEA-RTWAWAEBSA-N 1 0 484.693 3.576 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNC(C)=O)C[C@@H]1C ZINC001313864937 1071389073 /nfs/dbraw/zinc/38/90/73/1071389073.db2.gz ZLPZICDGSWEOFI-ZWKOTPCHSA-N 1 0 458.676 3.721 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nc(C)c(C)s2)C[C@@H]1C ZINC001313865832 1071394126 /nfs/dbraw/zinc/39/41/26/1071394126.db2.gz YHOCHHGORWTULS-XFAGBWLFSA-N 1 0 476.691 3.554 20 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CC[N@@H+]1C[C@@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(O)CC2)C[C@H]1C ZINC001313867180 1071399297 /nfs/dbraw/zinc/39/92/97/1071399297.db2.gz IAPPXLCRWUMMCN-RTBURBONSA-N 1 0 462.038 3.695 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001314944809 1071400802 /nfs/dbraw/zinc/40/08/02/1071400802.db2.gz FXIKPPIUJWFFHU-HOTGVXAUSA-N 1 0 467.445 3.802 20 0 JHADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1 ZINC001310462501 1071405093 /nfs/dbraw/zinc/40/50/93/1071405093.db2.gz RATZREWGEJAPIR-UHFFFAOYSA-N 1 0 450.534 3.523 20 0 JHADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001310462275 1071405182 /nfs/dbraw/zinc/40/51/82/1071405182.db2.gz BJFISCAMRAMFNK-SFHVURJKSA-N 1 0 451.493 3.998 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOC(C)C)C[C@H]1C ZINC001313870306 1071412658 /nfs/dbraw/zinc/41/26/58/1071412658.db2.gz QINFTPQQQIJEFY-HKBOAZHASA-N 1 0 478.682 3.737 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2C[C@@](C)(O)c2ccco2)C[C@H]1C ZINC001313871208 1071416652 /nfs/dbraw/zinc/41/66/52/1071416652.db2.gz YCNROFXLABPEKS-YZIHRLCOSA-N 1 0 451.615 3.873 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001314950152 1071417491 /nfs/dbraw/zinc/41/74/91/1071417491.db2.gz GACNMBUMAIEDEG-MSOLQXFVSA-N 1 0 491.478 3.648 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(C)c2)C[C@@H]1C ZINC001313871876 1071418957 /nfs/dbraw/zinc/41/89/57/1071418957.db2.gz UPMXPMJYKISKTB-FUDKSRODSA-N 1 0 498.672 3.862 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCCO2)C[C@@H]1C ZINC001313871945 1071419291 /nfs/dbraw/zinc/41/92/91/1071419291.db2.gz VVGUAXBEJBVVHO-XYJFISCASA-N 1 0 478.435 3.814 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nnc(C)s2)C[C@@H]1C ZINC001313872445 1071420790 /nfs/dbraw/zinc/42/07/90/1071420790.db2.gz XJEQZLFELYJPFO-UONOGXRCSA-N 1 0 462.023 3.734 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001313872274 1071420903 /nfs/dbraw/zinc/42/09/03/1071420903.db2.gz VZYTYQVSNLZDQA-RZUBCFFCSA-N 1 0 483.661 3.669 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001313872653 1071422969 /nfs/dbraw/zinc/42/29/69/1071422969.db2.gz JZIFPVFPJLPIAI-TXPKVOOTSA-N 1 0 489.462 3.541 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C[C@@H]1C ZINC001313874171 1071427964 /nfs/dbraw/zinc/42/79/64/1071427964.db2.gz GJXGYJSSPYDBMC-ZWKOTPCHSA-N 1 0 458.010 3.520 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCc2c(F)cccc2F)C[C@H]1C ZINC001313873046 1071424004 /nfs/dbraw/zinc/42/40/04/1071424004.db2.gz BQOCCNGBUQDPIF-MOPGFXCFSA-N 1 0 457.573 3.580 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)CCOC)C[C@@H]1C ZINC001313873435 1071424647 /nfs/dbraw/zinc/42/46/47/1071424647.db2.gz ZTLKEBQUMIFSOU-OALUTQOASA-N 1 0 459.635 3.944 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cccs2)C[C@@H]1C ZINC001313874132 1071427244 /nfs/dbraw/zinc/42/72/44/1071427244.db2.gz MWDTXZKPUXMVSN-DLBZAZTESA-N 1 0 488.608 3.558 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCCC2)C[C@@H]1C ZINC001313874740 1071430263 /nfs/dbraw/zinc/43/02/63/1071430263.db2.gz JVQADUFSPKBYIC-OALUTQOASA-N 1 0 474.675 3.538 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313875123 1071432186 /nfs/dbraw/zinc/43/21/86/1071432186.db2.gz LEGDSODXQUHBHD-ZWKOTPCHSA-N 1 0 471.005 3.881 20 0 JHADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N(CCS(C)(=O)=O)C2CC2)cc1)C[C@H]1CCCCO1 ZINC001310490349 1071428504 /nfs/dbraw/zinc/42/85/04/1071428504.db2.gz OCCOOELRCWLLPE-JOCHJYFZSA-N 1 0 451.633 3.507 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313876131 1071436836 /nfs/dbraw/zinc/43/68/36/1071436836.db2.gz QZMVCUBPUZUBCY-ZWKOTPCHSA-N 1 0 470.559 3.811 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001313876403 1071437511 /nfs/dbraw/zinc/43/75/11/1071437511.db2.gz JLMNSIORRPLYPO-RBBKRZOGSA-N 1 0 482.673 3.824 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001313876399 1071437517 /nfs/dbraw/zinc/43/75/17/1071437517.db2.gz JLMNSIORRPLYPO-IFMALSPDSA-N 1 0 482.673 3.824 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314962597 1071438929 /nfs/dbraw/zinc/43/89/29/1071438929.db2.gz SEYDBYSTTRYXKL-QHCPKHFHSA-N 1 0 459.038 3.825 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001313875441 1071434771 /nfs/dbraw/zinc/43/47/71/1071434771.db2.gz HZCDMYGYMIPGPR-HSZRJFAPSA-N 1 0 468.646 3.884 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cc(Cl)cn2)C[C@H]1C ZINC001313877019 1071439987 /nfs/dbraw/zinc/43/99/87/1071439987.db2.gz QFPPABMIZZKHTN-WOJBJXKFSA-N 1 0 472.037 3.943 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2F)C[C@H]1C ZINC001313875988 1071436581 /nfs/dbraw/zinc/43/65/81/1071436581.db2.gz NOMLBARJDBEXKG-CVEARBPZSA-N 1 0 474.581 3.515 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001314964534 1071443170 /nfs/dbraw/zinc/44/31/70/1071443170.db2.gz FPJIALHNANILNB-VWLOTQADSA-N 1 0 490.599 3.631 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCCCCC1 ZINC001314964634 1071443651 /nfs/dbraw/zinc/44/36/51/1071443651.db2.gz PXGJTHGDFDHZTO-NRFANRHFSA-N 1 0 484.689 3.849 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2sccc2C)C[C@H]1C ZINC001313879107 1071447042 /nfs/dbraw/zinc/44/70/42/1071447042.db2.gz XTNJAQMOZHJGFD-SJORKVTESA-N 1 0 458.657 3.607 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNc2ncc(Cl)cc2Cl)C[C@@H]1C ZINC001313879080 1071447621 /nfs/dbraw/zinc/44/76/21/1071447621.db2.gz YPUBTLRUVWVOBD-IRXDYDNUSA-N 1 0 489.455 3.997 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CC1 ZINC001313879639 1071450603 /nfs/dbraw/zinc/45/06/03/1071450603.db2.gz ILMXVYDSTGSMPL-XXBNENTESA-N 1 0 468.646 3.514 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C)C2)CC1 ZINC001313879586 1071450630 /nfs/dbraw/zinc/45/06/30/1071450630.db2.gz GOISCWZYLUVIQP-FPOVZHCZSA-N 1 0 476.666 3.555 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001313879853 1071451179 /nfs/dbraw/zinc/45/11/79/1071451179.db2.gz CYHUFBGRCWYXBA-OAQYLSRUSA-N 1 0 471.646 3.947 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3CCOC3)nnc2N(C)Cc2cc(OC)cc(OC)c2)CC1 ZINC001313880477 1071452499 /nfs/dbraw/zinc/45/24/99/1071452499.db2.gz VIEXCTICCBSXBT-NRFANRHFSA-N 1 0 457.619 3.558 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3C)nnc2N2CCC(S(=O)(=O)CC)CC2)CC1 ZINC001313880456 1071452546 /nfs/dbraw/zinc/45/25/46/1071452546.db2.gz JZXWGGYWSBTHDK-UHFFFAOYSA-N 1 0 473.687 3.779 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(CCc3ccccc3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001314969189 1071455506 /nfs/dbraw/zinc/45/55/06/1071455506.db2.gz CZWKXTWMBNUUGK-HHHXNRCGSA-N 1 0 466.674 3.680 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(O)cc2)C[C@H]1C ZINC001313882441 1071458211 /nfs/dbraw/zinc/45/82/11/1071458211.db2.gz FXQGKXNPOSUYPJ-KIZRIRGWSA-N 1 0 498.672 3.916 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)Cc2scnc2C)C1 ZINC001313884398 1071463471 /nfs/dbraw/zinc/46/34/71/1071463471.db2.gz OVZRTPIYDLLVNA-SFHVURJKSA-N 1 0 488.061 3.605 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001313883195 1071461307 /nfs/dbraw/zinc/46/13/07/1071461307.db2.gz PYFAQQFELWPTOX-QFIPXVFZSA-N 1 0 469.630 3.677 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001313883851 1071462812 /nfs/dbraw/zinc/46/28/12/1071462812.db2.gz KNNYXIAOPKCIGI-SFHVURJKSA-N 1 0 485.036 3.512 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCC[C@H](COC)C2)C1 ZINC001313885258 1071466376 /nfs/dbraw/zinc/46/63/76/1071466376.db2.gz BFARFJINQXGUTB-ROUUACIJSA-N 1 0 492.462 3.921 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCC[C@@H](COC)C2)C1 ZINC001313885260 1071466503 /nfs/dbraw/zinc/46/65/03/1071466503.db2.gz BFARFJINQXGUTB-ZWKOTPCHSA-N 1 0 492.462 3.921 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001313886137 1071469058 /nfs/dbraw/zinc/46/90/58/1071469058.db2.gz MLDNQVAISSACJB-KRWDZBQOSA-N 1 0 490.052 3.829 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001313887219 1071472490 /nfs/dbraw/zinc/47/24/90/1071472490.db2.gz HQRLRWLMECSHIY-FQEVSTJZSA-N 1 0 473.687 3.651 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314977990 1071473476 /nfs/dbraw/zinc/47/34/76/1071473476.db2.gz OZFMCTDOCDLVRV-CJFMBICVSA-N 1 0 470.687 3.573 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001314977941 1071474190 /nfs/dbraw/zinc/47/41/90/1071474190.db2.gz COLROIRPRFMDQC-IRLDBZIGSA-N 1 0 482.654 3.533 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2c(C)noc2C)C[C@H]1C ZINC001313887798 1071474174 /nfs/dbraw/zinc/47/41/74/1071474174.db2.gz VZOUUZWVTHVWJS-XWOARTFESA-N 1 0 458.651 3.963 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCOC3)nnc2N(C)Cc2cc(Br)cs2)C1 ZINC001313887812 1071474361 /nfs/dbraw/zinc/47/43/61/1071474361.db2.gz LDMMQQNNXQNZDV-CABCVRRESA-N 1 0 454.438 3.584 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001313888219 1071475993 /nfs/dbraw/zinc/47/59/93/1071475993.db2.gz AEFIUIWREUYGQI-GIWBLDEGSA-N 1 0 455.647 3.838 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC(C(=O)OC)CC2)C1 ZINC001313888333 1071476902 /nfs/dbraw/zinc/47/69/02/1071476902.db2.gz GYWQMXFEIPFIEK-CQSZACIVSA-N 1 0 482.448 3.500 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@H](C)C(C)(C)C2)C1 ZINC001313889663 1071480752 /nfs/dbraw/zinc/48/07/52/1071480752.db2.gz LIGWWOMTQNLNHT-RBUKOAKNSA-N 1 0 459.660 3.563 20 0 JHADRO CNC(=O)c1cccc(CCn2c(C3CCC3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001314978809 1071477075 /nfs/dbraw/zinc/47/70/75/1071477075.db2.gz BERCJVFRQNYWQW-UHFFFAOYSA-N 1 0 452.647 3.705 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)C1 ZINC001313888881 1071478432 /nfs/dbraw/zinc/47/84/32/1071478432.db2.gz FPLYZDXWBOPKLE-PKTZIBPZSA-N 1 0 482.673 3.509 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCS[C@H](C(C)C)C2)C1 ZINC001313889127 1071479230 /nfs/dbraw/zinc/47/92/30/1071479230.db2.gz GPGKLXXTFJHTTC-UGKGYDQZSA-N 1 0 459.660 3.785 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001313889216 1071479324 /nfs/dbraw/zinc/47/93/24/1071479324.db2.gz HKKLBWMBPYLDPO-FGZHOGPDSA-N 1 0 484.714 3.962 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCS[C@H](C(C)C)C2)C1 ZINC001313889124 1071479374 /nfs/dbraw/zinc/47/93/74/1071479374.db2.gz GPGKLXXTFJHTTC-KNQAVFIVSA-N 1 0 459.660 3.785 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001313889090 1071479389 /nfs/dbraw/zinc/47/93/89/1071479389.db2.gz JLIBKCABKXYTNO-VQTJNVASSA-N 1 0 484.645 3.647 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001313889214 1071479417 /nfs/dbraw/zinc/47/94/17/1071479417.db2.gz HKKLBWMBPYLDPO-FCHUYYIVSA-N 1 0 484.714 3.962 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001314979876 1071479772 /nfs/dbraw/zinc/47/97/72/1071479772.db2.gz XLWFJBGUXXXUAO-RUZDIDTESA-N 1 0 472.703 3.960 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001313889380 1071480118 /nfs/dbraw/zinc/48/01/18/1071480118.db2.gz HTWDXPFMISGSSA-PKTZIBPZSA-N 1 0 496.700 3.884 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1 ZINC001313890376 1071481359 /nfs/dbraw/zinc/48/13/59/1071481359.db2.gz YDAGUGGDRUBLLZ-HSALFYBXSA-N 1 0 462.683 3.948 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccoc2)C1 ZINC001313890775 1071483270 /nfs/dbraw/zinc/48/32/70/1071483270.db2.gz PNECYGVUVSNKNY-RLLQIKCJSA-N 1 0 458.607 3.620 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001313891185 1071484661 /nfs/dbraw/zinc/48/46/61/1071484661.db2.gz UIJGQMRXNVEYAJ-IBGZPJMESA-N 1 0 498.569 3.530 20 0 JHADRO CNC(=O)c1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001314982445 1071486291 /nfs/dbraw/zinc/48/62/91/1071486291.db2.gz RVICKBZMSZLILW-OYRHEFFESA-N 1 0 496.700 3.600 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@H](C)Cc2ccc(OC)cc2)C1 ZINC001313891979 1071486364 /nfs/dbraw/zinc/48/63/64/1071486364.db2.gz JBSGZPWUULCRMW-PUHATCMVSA-N 1 0 455.647 3.838 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313893995 1071491702 /nfs/dbraw/zinc/49/17/02/1071491702.db2.gz RQAZLJHWRGMOCS-RTWAWAEBSA-N 1 0 486.636 3.736 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001313892464 1071487677 /nfs/dbraw/zinc/48/76/77/1071487677.db2.gz YMIYNVKPYOPHSR-NRFANRHFSA-N 1 0 466.674 3.889 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313894017 1071491774 /nfs/dbraw/zinc/49/17/74/1071491774.db2.gz RVNCBQHQUYVQMC-AZUAARDMSA-N 1 0 472.609 3.523 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C)[C@H](OC)C2)C1 ZINC001313893890 1071491869 /nfs/dbraw/zinc/49/18/69/1071491869.db2.gz QBEOZINQHOFRJW-FNAHDJPLSA-N 1 0 490.693 3.596 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313893341 1071489368 /nfs/dbraw/zinc/48/93/68/1071489368.db2.gz DBRZUAWTBZYNRQ-HOJAQTOUSA-N 1 0 474.675 3.622 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001313893749 1071491024 /nfs/dbraw/zinc/49/10/24/1071491024.db2.gz PNGCZDUWUJRKED-FQEVSTJZSA-N 1 0 474.053 3.713 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001313894248 1071492567 /nfs/dbraw/zinc/49/25/67/1071492567.db2.gz VADUEEHQDDXDQT-BRWVUGGUSA-N 1 0 478.435 3.814 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001313894272 1071493245 /nfs/dbraw/zinc/49/32/45/1071493245.db2.gz RRLOHNBSZPFIQB-ZWKOTPCHSA-N 1 0 452.525 3.538 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001313894270 1071493554 /nfs/dbraw/zinc/49/35/54/1071493554.db2.gz RRLOHNBSZPFIQB-QZTJIDSGSA-N 1 0 452.525 3.538 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314986004 1071493886 /nfs/dbraw/zinc/49/38/86/1071493886.db2.gz OZCHLKCYOHHUPV-XSDIEEQYSA-N 1 0 486.636 3.640 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313894896 1071494858 /nfs/dbraw/zinc/49/48/58/1071494858.db2.gz DYTRQFAIYIEKNK-GDBMZVCRSA-N 1 0 496.837 3.845 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001313895406 1071497200 /nfs/dbraw/zinc/49/72/00/1071497200.db2.gz HXVYFGWJPUKXJK-SFTDATJTSA-N 1 0 492.462 3.824 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001313895403 1071497283 /nfs/dbraw/zinc/49/72/83/1071497283.db2.gz HXVYFGWJPUKXJK-LEWJYISDSA-N 1 0 492.462 3.824 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001314987156 1071498187 /nfs/dbraw/zinc/49/81/87/1071498187.db2.gz AFHAZGCMYYIJDJ-UNMCSNQZSA-N 1 0 454.663 3.740 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313896334 1071499433 /nfs/dbraw/zinc/49/94/33/1071499433.db2.gz NUHORTXYIZZDDY-HXUWFJFHSA-N 1 0 494.640 3.952 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001313896366 1071499515 /nfs/dbraw/zinc/49/95/15/1071499515.db2.gz OGOWMLNQMGJCTF-SXLOBPIMSA-N 1 0 492.462 3.740 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001313896591 1071500433 /nfs/dbraw/zinc/50/04/33/1071500433.db2.gz GPPIXQGYLOZTCE-DNVJHFABSA-N 1 0 468.646 3.505 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314989234 1071503287 /nfs/dbraw/zinc/50/32/87/1071503287.db2.gz OQFZYYMKDUBQEI-WSTZPKSXSA-N 1 0 488.080 3.712 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001313897524 1071502796 /nfs/dbraw/zinc/50/27/96/1071502796.db2.gz XUOUVYMWRZHDRK-IRLDBZIGSA-N 1 0 468.646 3.521 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2c(C)nn(C)c2C)C1 ZINC001313898103 1071504308 /nfs/dbraw/zinc/50/43/08/1071504308.db2.gz OAPCGDWDGYRVIE-KCZVDYSFSA-N 1 0 457.667 3.525 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001314990549 1071505568 /nfs/dbraw/zinc/50/55/68/1071505568.db2.gz PBWBTNDSAUULBX-HXUWFJFHSA-N 1 0 473.065 3.749 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCOC)CC(C)C ZINC001313898530 1071505857 /nfs/dbraw/zinc/50/58/57/1071505857.db2.gz AZRDKXVAMICAAQ-FGZHOGPDSA-N 1 0 492.709 3.986 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313899189 1071507406 /nfs/dbraw/zinc/50/74/06/1071507406.db2.gz GSOSBWDXEXCKMO-QFUCXCTJSA-N 1 0 481.563 3.712 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313899188 1071507441 /nfs/dbraw/zinc/50/74/41/1071507441.db2.gz GSOSBWDXEXCKMO-FBBABVLZSA-N 1 0 481.563 3.712 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001313900966 1071510442 /nfs/dbraw/zinc/51/04/42/1071510442.db2.gz TTWZYTJTIYRBBT-QHCPKHFHSA-N 1 0 468.690 3.990 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001314994208 1071510977 /nfs/dbraw/zinc/51/09/77/1071510977.db2.gz RNZRYBZKOZHTPV-RTBURBONSA-N 1 0 459.038 3.825 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313901482 1071511787 /nfs/dbraw/zinc/51/17/87/1071511787.db2.gz RIKDIDUSTHAFBB-IPELMVKDSA-N 1 0 455.500 3.648 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001313903065 1071514660 /nfs/dbraw/zinc/51/46/60/1071514660.db2.gz LMFPOIHUSRPARO-XMMPIXPASA-N 1 0 482.673 3.852 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313901989 1071512472 /nfs/dbraw/zinc/51/24/72/1071512472.db2.gz VOJOZLSHPUNNCK-CTNGQTDRSA-N 1 0 494.606 3.629 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001313902967 1071513922 /nfs/dbraw/zinc/51/39/22/1071513922.db2.gz AZPNNYLENJISDO-RPWUZVMVSA-N 1 0 498.672 3.653 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001313904747 1071519996 /nfs/dbraw/zinc/51/99/96/1071519996.db2.gz LMSYIUIWYAWKBN-NJYVYQBISA-N 1 0 451.656 3.660 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)Cc1ccccn1 ZINC001313904657 1071519273 /nfs/dbraw/zinc/51/92/73/1071519273.db2.gz KERLTUVZSMUJJP-OAQYLSRUSA-N 1 0 480.613 3.877 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313906247 1071524070 /nfs/dbraw/zinc/52/40/70/1071524070.db2.gz VRLCKOZLLLDAQV-SLFFLAALSA-N 1 0 488.608 3.709 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001313906634 1071525159 /nfs/dbraw/zinc/52/51/59/1071525159.db2.gz YCINFXZUGCYTAG-VWPQPMDRSA-N 1 0 488.702 3.552 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001313905639 1071522116 /nfs/dbraw/zinc/52/21/16/1071522116.db2.gz PXBGPIFCBYFOKS-JAXLGGSGSA-N 1 0 488.702 3.552 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(Br)c1 ZINC001313905827 1071522637 /nfs/dbraw/zinc/52/26/37/1071522637.db2.gz XZAQSRDCYLIDIH-GOSISDBHSA-N 1 0 456.392 3.618 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313905944 1071522800 /nfs/dbraw/zinc/52/28/00/1071522800.db2.gz WHTUFNYZUHWMEO-NBGIEHNGSA-N 1 0 457.619 3.745 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(N(C)Cc2ccc(Br)o2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313907158 1071526423 /nfs/dbraw/zinc/52/64/23/1071526423.db2.gz YREPQKFAYWOOET-VGSWGCGISA-N 1 0 496.450 3.795 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(N(C)Cc2ccc(Br)o2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313907155 1071526657 /nfs/dbraw/zinc/52/66/57/1071526657.db2.gz YREPQKFAYWOOET-HTAPYJJXSA-N 1 0 496.450 3.795 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)Cc1cc(C)on1 ZINC001313908792 1071531131 /nfs/dbraw/zinc/53/11/31/1071531131.db2.gz KHYCHPUWDQSPEH-QFIPXVFZSA-N 1 0 452.603 3.879 20 0 JHADRO CNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001315003133 1071528673 /nfs/dbraw/zinc/52/86/73/1071528673.db2.gz PSPVLRMCBHZORN-XMMPIXPASA-N 1 0 482.673 3.557 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001313910688 1071536337 /nfs/dbraw/zinc/53/63/37/1071536337.db2.gz FZCFSSHWCQXTOK-CVEARBPZSA-N 1 0 452.397 3.648 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001313909096 1071531923 /nfs/dbraw/zinc/53/19/23/1071531923.db2.gz MXWWYNIVFQIHDN-QHCPKHFHSA-N 1 0 475.641 3.830 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313909239 1071532362 /nfs/dbraw/zinc/53/23/62/1071532362.db2.gz PZYWCJUBXQVLOY-XZOQPEGZSA-N 1 0 482.673 3.946 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001313909542 1071533240 /nfs/dbraw/zinc/53/32/40/1071533240.db2.gz QAVOZYVPCKECDE-IRLDBZIGSA-N 1 0 455.647 3.950 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(Cl)ccc1OC ZINC001313909958 1071533766 /nfs/dbraw/zinc/53/37/66/1071533766.db2.gz IOQUVFOSGCSNIK-LJQANCHMSA-N 1 0 455.994 3.908 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001313910033 1071533920 /nfs/dbraw/zinc/53/39/20/1071533920.db2.gz UMMLKIWKGMJRHH-FDDCHVKYSA-N 1 0 489.462 3.592 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCCSC ZINC001313909974 1071534100 /nfs/dbraw/zinc/53/41/00/1071534100.db2.gz IUCXHPRKHNXZRE-QGZVFWFLSA-N 1 0 455.632 3.658 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001313910693 1071536621 /nfs/dbraw/zinc/53/66/21/1071536621.db2.gz FZCFSSHWCQXTOK-JKSUJKDBSA-N 1 0 452.397 3.648 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313910324 1071534996 /nfs/dbraw/zinc/53/49/96/1071534996.db2.gz VXUKAJFRKVWOED-XZOQPEGZSA-N 1 0 497.688 3.974 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313910279 1071535212 /nfs/dbraw/zinc/53/52/12/1071535212.db2.gz FLHDWFAKAWLNSO-HSZRJFAPSA-N 1 0 470.637 3.577 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313910585 1071535992 /nfs/dbraw/zinc/53/59/92/1071535992.db2.gz XCUCBWOOZDRONH-LEWJYISDSA-N 1 0 456.635 3.710 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCC[N@@H+]2CC)CC1=O ZINC001313913152 1071541954 /nfs/dbraw/zinc/54/19/54/1071541954.db2.gz IZNNMSRUDOKOHM-SFHVURJKSA-N 1 0 463.001 3.671 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001313911764 1071538167 /nfs/dbraw/zinc/53/81/67/1071538167.db2.gz LULSFQYTFRYHTH-ICSRJNTNSA-N 1 0 499.603 3.710 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccccc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001315019785 1071539071 /nfs/dbraw/zinc/53/90/71/1071539071.db2.gz BZTKYGVDFYBBDU-FNZWTVRRSA-N 1 0 452.647 3.808 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CCN1CCOCC1 ZINC001313912308 1071539452 /nfs/dbraw/zinc/53/94/52/1071539452.db2.gz HIQIRAYWNNFLAO-JOCHJYFZSA-N 1 0 472.703 3.522 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912613 1071540457 /nfs/dbraw/zinc/54/04/57/1071540457.db2.gz VCRNRBDLYANMBB-PMACEKPBSA-N 1 0 471.650 3.509 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001313912704 1071540648 /nfs/dbraw/zinc/54/06/48/1071540648.db2.gz WVGQGPJGGNEZGR-HXUWFJFHSA-N 1 0 453.566 3.654 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313914115 1071546099 /nfs/dbraw/zinc/54/60/99/1071546099.db2.gz RLLRUTDIPYFERA-FCHUYYIVSA-N 1 0 468.646 3.738 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315024194 1071546931 /nfs/dbraw/zinc/54/69/31/1071546931.db2.gz MENKZMIOQDLJNK-HXUWFJFHSA-N 1 0 484.664 3.871 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001313913602 1071543525 /nfs/dbraw/zinc/54/35/25/1071543525.db2.gz QCMYVGSBOBNUKC-IRLDBZIGSA-N 1 0 477.650 3.609 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313913710 1071544219 /nfs/dbraw/zinc/54/42/19/1071544219.db2.gz LIUFQLACIDACRI-UYAOXDASSA-N 1 0 498.569 3.943 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccc3Br)n2CC2([NH+](C)C)CCCC2)CC1=O ZINC001313915749 1071550848 /nfs/dbraw/zinc/55/08/48/1071550848.db2.gz KLKYUHMMCWMRFK-UHFFFAOYSA-N 1 0 489.462 3.641 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315027387 1071553975 /nfs/dbraw/zinc/55/39/75/1071553975.db2.gz QMDCRFCIDQWGAB-MSOLQXFVSA-N 1 0 477.053 3.690 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N(C)Cc2ccccc2N2CCCC2)CC1 ZINC001313920677 1071559359 /nfs/dbraw/zinc/55/93/59/1071559359.db2.gz LKFHJYROTWZACP-QFIPXVFZSA-N 1 0 453.679 3.664 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313919712 1071557663 /nfs/dbraw/zinc/55/76/63/1071557663.db2.gz FMFGAIUGJWCAQY-RTBURBONSA-N 1 0 492.510 3.934 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccccn2)CC1 ZINC001313921205 1071561280 /nfs/dbraw/zinc/56/12/80/1071561280.db2.gz OZGNEUYOXBEYMK-SFTDATJTSA-N 1 0 481.620 3.615 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)CC1 ZINC001313921663 1071562332 /nfs/dbraw/zinc/56/23/32/1071562332.db2.gz SGLWPSGZYKIECY-OXQOHEQNSA-N 1 0 467.431 3.522 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001313923474 1071566729 /nfs/dbraw/zinc/56/67/29/1071566729.db2.gz NAQLXCJKHMIWEM-UPVQGACJSA-N 1 0 481.689 3.798 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccccc2Br)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315035673 1071568675 /nfs/dbraw/zinc/56/86/75/1071568675.db2.gz SYHXWJGDYSTRRL-HXOBKFHXSA-N 1 0 491.478 3.790 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)[C@H](C)c2ccco2)CC1 ZINC001313923920 1071568693 /nfs/dbraw/zinc/56/86/93/1071568693.db2.gz AVADEBNFYVMBNJ-VQTJNVASSA-N 1 0 452.603 3.770 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CCCO)CC2)CC1 ZINC001313923952 1071568979 /nfs/dbraw/zinc/56/89/79/1071568979.db2.gz BFGNRCOLANGHNW-IBGZPJMESA-N 1 0 493.071 3.753 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001315036919 1071569752 /nfs/dbraw/zinc/56/97/52/1071569752.db2.gz VBJAFXDWQBLNLX-PMACEKPBSA-N 1 0 479.673 3.766 20 0 JHADRO CCN1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1=O ZINC001313924720 1071571496 /nfs/dbraw/zinc/57/14/96/1071571496.db2.gz OEDFWXHIHWTRRX-HXUWFJFHSA-N 1 0 489.064 3.690 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313924809 1071572150 /nfs/dbraw/zinc/57/21/50/1071572150.db2.gz JCANUUFWULJOHN-NVQXNPDNSA-N 1 0 454.663 3.675 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313924956 1071572167 /nfs/dbraw/zinc/57/21/67/1071572167.db2.gz KCZRNNGCXGCZOO-RTWAWAEBSA-N 1 0 463.630 3.572 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313924957 1071572216 /nfs/dbraw/zinc/57/22/16/1071572216.db2.gz KCZRNNGCXGCZOO-SFTDATJTSA-N 1 0 463.630 3.572 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001313925238 1071572878 /nfs/dbraw/zinc/57/28/78/1071572878.db2.gz NVTZWLMVEOJQDX-PLXFJCCSSA-N 1 0 498.716 3.603 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001315056133 1071581024 /nfs/dbraw/zinc/58/10/24/1071581024.db2.gz BAXILGKHFFNULI-QGZVFWFLSA-N 1 0 482.460 3.690 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313926525 1071577035 /nfs/dbraw/zinc/57/70/35/1071577035.db2.gz DGYASEVZZROVHD-NVQXNPDNSA-N 1 0 454.663 3.818 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001313927356 1071579809 /nfs/dbraw/zinc/57/98/09/1071579809.db2.gz JWMVXVZLZFFGTI-FGZHOGPDSA-N 1 0 454.638 3.827 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313927419 1071579992 /nfs/dbraw/zinc/57/99/92/1071579992.db2.gz KRBARURYQVKBJD-WBADGQHESA-N 1 0 460.711 3.849 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313927759 1071581389 /nfs/dbraw/zinc/58/13/89/1071581389.db2.gz LUKPAQQIJKYCKG-ILBGXUMGSA-N 1 0 452.691 3.962 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001315055944 1071580627 /nfs/dbraw/zinc/58/06/27/1071580627.db2.gz FWDHRYLZFCFFBV-UHFFFAOYSA-N 1 0 488.080 3.818 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313927581 1071580841 /nfs/dbraw/zinc/58/08/41/1071580841.db2.gz MJFSJFNUXNGQCZ-QHCPKHFHSA-N 1 0 452.647 3.738 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001315056766 1071582071 /nfs/dbraw/zinc/58/20/71/1071582071.db2.gz RPJWUIPMHKOHFR-LJQANCHMSA-N 1 0 487.718 3.712 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313928044 1071582567 /nfs/dbraw/zinc/58/25/67/1071582567.db2.gz NCDYPFZUKPLGOB-YADHBBJMSA-N 1 0 482.652 3.502 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001315074660 1071586583 /nfs/dbraw/zinc/58/65/83/1071586583.db2.gz RKFGVOZSHIJWJF-IRFCIJBXSA-N 1 0 457.619 3.994 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNc2ccccn2)C[C@H]1C ZINC001313928677 1071584340 /nfs/dbraw/zinc/58/43/40/1071584340.db2.gz CGQIAZKQEKUAPV-UXHICEINSA-N 1 0 467.593 3.985 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313928577 1071584665 /nfs/dbraw/zinc/58/46/65/1071584665.db2.gz UJYGOUVMOMKUGM-ZLNRFVROSA-N 1 0 498.716 3.794 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001315070279 1071585756 /nfs/dbraw/zinc/58/57/56/1071585756.db2.gz DNDXFVSATQCZEK-NRFANRHFSA-N 1 0 496.656 3.801 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOC[C@@H]2CCCO2)C[C@@H]1C ZINC001313929855 1071587820 /nfs/dbraw/zinc/58/78/20/1071587820.db2.gz ATCYNFPJZJHPDJ-IRXDYDNUSA-N 1 0 498.491 3.885 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001315083626 1071592192 /nfs/dbraw/zinc/59/21/92/1071592192.db2.gz YAEIFQRXTFFVCT-PKOBYXMFSA-N 1 0 469.611 3.708 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(Cc4ccccn4)nnc3N(CC(C)C)C(C)C)cn2)CC1 ZINC001313931142 1071590716 /nfs/dbraw/zinc/59/07/16/1071590716.db2.gz AOPGAGVTHNGKSL-UHFFFAOYSA-N 1 0 476.673 3.720 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001313931771 1071592506 /nfs/dbraw/zinc/59/25/06/1071592506.db2.gz ZRUGUIBBBRWNIC-FSSWDIPSSA-N 1 0 456.704 3.534 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313931708 1071593239 /nfs/dbraw/zinc/59/32/39/1071593239.db2.gz SKZIWDOBHMKDRL-UNMCSNQZSA-N 1 0 482.673 3.824 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2nc(C(C)(C)C)cs2)C[C@@H]1C ZINC001313931888 1071593297 /nfs/dbraw/zinc/59/32/97/1071593297.db2.gz SRFKFUCSHCMOJW-ZWKOTPCHSA-N 1 0 464.680 3.529 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(-c4ccccc4C)nnc3N(C)CC(F)(F)F)cn2)CC1 ZINC001313931894 1071593993 /nfs/dbraw/zinc/59/39/93/1071593993.db2.gz DJHYSLFODFYRRD-UHFFFAOYSA-N 1 0 473.547 3.837 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[C@@H]2CCOC2)C[C@@H]1C ZINC001313934904 1071603592 /nfs/dbraw/zinc/60/35/92/1071603592.db2.gz DCNSXEYYTHBFEZ-DLBZAZTESA-N 1 0 478.435 3.673 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)c2ccccn2)C[C@H]1C ZINC001313934492 1071602366 /nfs/dbraw/zinc/60/23/66/1071602366.db2.gz AJPZHRMOIFIGPF-LJQANCHMSA-N 1 0 464.614 3.866 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN(C)CC(F)(F)F)C[C@H]1C ZINC001313934594 1071603098 /nfs/dbraw/zinc/60/30/98/1071603098.db2.gz SBSDXJKPUPWEAS-OAHLLOKOSA-N 1 0 476.494 3.571 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(N(CCOC)[C@@H]4CC[C@H](C)C4)nnc3C(C)(C)C)cn2)CC1 ZINC001313934926 1071604230 /nfs/dbraw/zinc/60/42/30/1071604230.db2.gz VESBPTFCHREBTD-JTHBVZDNSA-N 1 0 483.705 3.802 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001313934952 1071604387 /nfs/dbraw/zinc/60/43/87/1071604387.db2.gz DUQCUXUAYPAKLI-OAHLLOKOSA-N 1 0 495.937 3.908 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCCCO2)C[C@@H]1C ZINC001313935224 1071605300 /nfs/dbraw/zinc/60/53/00/1071605300.db2.gz GAXOAZFFIPYWHY-FUHWJXTLSA-N 1 0 478.435 3.816 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCO[C@@H]2C(C)C)C[C@H]1C ZINC001313935873 1071607279 /nfs/dbraw/zinc/60/72/79/1071607279.db2.gz JYQOWSIQFKPVCX-SELNLUPBSA-N 1 0 457.619 3.554 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](Cc2ccccc2)OC)C[C@H]1C ZINC001313936772 1071608541 /nfs/dbraw/zinc/60/85/41/1071608541.db2.gz PYVJIKQLBZWQKV-WIYYLYMNSA-N 1 0 455.006 3.782 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(O)(CC)CC)C[C@@H]1C ZINC001313936500 1071608604 /nfs/dbraw/zinc/60/86/04/1071608604.db2.gz PBOSWFUQTUGLLL-IBGZPJMESA-N 1 0 459.635 3.822 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)c2nccs2)C[C@@H]1C ZINC001313937096 1071610131 /nfs/dbraw/zinc/61/01/31/1071610131.db2.gz SFVQKULRXLAFOP-IRXDYDNUSA-N 1 0 456.616 3.753 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313936690 1071609119 /nfs/dbraw/zinc/60/91/19/1071609119.db2.gz ADOIYCQOTFXXAP-IBGZPJMESA-N 1 0 471.650 3.954 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313937297 1071610202 /nfs/dbraw/zinc/61/02/02/1071610202.db2.gz DVSPPJCZMLHWTL-JXFKEZNVSA-N 1 0 464.536 3.935 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2[C@@H]2C[C@H]2CF)C[C@H]1C ZINC001313937453 1071610965 /nfs/dbraw/zinc/61/09/65/1071610965.db2.gz UODQKZVVCVKAKS-UKPHBRMFSA-N 1 0 452.372 3.777 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC3CC3)n2CCc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC001313939464 1071613352 /nfs/dbraw/zinc/61/33/52/1071613352.db2.gz BCVFTAOHRQVIRG-INIZCTEOSA-N 1 0 462.436 3.775 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)c(Br)c2)C[C@H]1C ZINC001313940503 1071614766 /nfs/dbraw/zinc/61/47/66/1071614766.db2.gz MRSSWMSKTWURCY-QGZVFWFLSA-N 1 0 485.430 3.614 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001313941052 1071616191 /nfs/dbraw/zinc/61/61/91/1071616191.db2.gz RWXITXLSWPPRII-GOSISDBHSA-N 1 0 478.483 3.981 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCCC2(C)C)C[C@@H]1C ZINC001313942024 1071619071 /nfs/dbraw/zinc/61/90/71/1071619071.db2.gz GYQCPDDAFZWONT-HFZDXXHNSA-N 1 0 455.647 3.946 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313942350 1071619637 /nfs/dbraw/zinc/61/96/37/1071619637.db2.gz PQZFXRAEESVDQF-PXNSSMCTSA-N 1 0 477.535 3.629 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(OC)cc2)C[C@H]1C ZINC001313942833 1071621392 /nfs/dbraw/zinc/62/13/92/1071621392.db2.gz MNOKAAURBVXWQL-NRSPTQNISA-N 1 0 484.645 3.636 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(C)o4)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313944928 1071625738 /nfs/dbraw/zinc/62/57/38/1071625738.db2.gz JRCDWOLXQAZITF-FPOVZHCZSA-N 1 0 460.692 3.840 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001313946568 1071629272 /nfs/dbraw/zinc/62/92/72/1071629272.db2.gz BLFUUDQTJPNXOW-ISKFKSNPSA-N 1 0 486.730 3.766 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C)cc3SC)C2)CC1 ZINC001313946710 1071629813 /nfs/dbraw/zinc/62/98/13/1071629813.db2.gz FCXNSAVMTRNQPD-JOCHJYFZSA-N 1 0 456.704 3.771 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2csc([C@H](C)OC)n2)C[C@H]1C ZINC001313947422 1071631764 /nfs/dbraw/zinc/63/17/64/1071631764.db2.gz HCIFTFBFNFHNOW-MSOLQXFVSA-N 1 0 486.642 3.608 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC001313950709 1071639434 /nfs/dbraw/zinc/63/94/34/1071639434.db2.gz QDVGLQWVDMKKMG-BBTUJRGHSA-N 1 0 457.494 3.695 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313949105 1071635222 /nfs/dbraw/zinc/63/52/22/1071635222.db2.gz HQLGZCFDTFUJAJ-XUVXKRRUSA-N 1 0 476.616 3.912 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(COc4ccc(F)cc4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001313950235 1071637550 /nfs/dbraw/zinc/63/75/50/1071637550.db2.gz RTKJGKZXSZDBFT-IBGZPJMESA-N 1 0 498.569 3.801 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4csc(C)n4)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313950555 1071638738 /nfs/dbraw/zinc/63/87/38/1071638738.db2.gz VNVPZFHWMWOIBN-NHCUHLMSSA-N 1 0 491.775 3.628 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001313950664 1071639293 /nfs/dbraw/zinc/63/92/93/1071639293.db2.gz BUFKIKOQXBYWTB-CVDCTZTESA-N 1 0 490.643 3.705 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2CCc2nc(C)c(C)s2)C[C@@H]1C ZINC001313951115 1071640618 /nfs/dbraw/zinc/64/06/18/1071640618.db2.gz ZJEIJRNAFAZHCV-INIZCTEOSA-N 1 0 458.607 3.843 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)C2CCC2)CC1 ZINC001313951247 1071641141 /nfs/dbraw/zinc/64/11/41/1071641141.db2.gz SCNKVBSQARKDHL-GOSISDBHSA-N 1 0 475.479 3.970 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001313952505 1071645905 /nfs/dbraw/zinc/64/59/05/1071645905.db2.gz FNVCFSGYAVUYQE-SIKLNZKXSA-N 1 0 475.081 3.733 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313952620 1071646498 /nfs/dbraw/zinc/64/64/98/1071646498.db2.gz GWTNOCGYXQAGSQ-HXUWFJFHSA-N 1 0 498.075 3.912 20 0 JHADRO CCN1CC[NH+](CCCCn2c(N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001313953722 1071649579 /nfs/dbraw/zinc/64/95/79/1071649579.db2.gz IOJITHWMUNJDJD-TXRXYBTHSA-N 1 0 488.746 3.928 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3c[nH]c4ccccc34)nnc2N(C)CC(F)(F)F)CC1 ZINC001313953765 1071650031 /nfs/dbraw/zinc/65/00/31/1071650031.db2.gz KYLLDBNQZQHOGQ-KRWDZBQOSA-N 1 0 463.552 3.699 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001313953759 1071650075 /nfs/dbraw/zinc/65/00/75/1071650075.db2.gz KSZZRFUGWYPXCD-JTAQYXEDSA-N 1 0 475.081 3.733 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313954572 1071651742 /nfs/dbraw/zinc/65/17/42/1071651742.db2.gz BXOGHWDAHNKYQA-PMACEKPBSA-N 1 0 459.708 3.534 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCOC[C@@H]2C)CC1 ZINC001313955171 1071654735 /nfs/dbraw/zinc/65/47/35/1071654735.db2.gz TVVFWZUFZDIVSF-SFHVURJKSA-N 1 0 481.472 3.895 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313955167 1071654873 /nfs/dbraw/zinc/65/48/73/1071654873.db2.gz FVZVQVHKUGHKKN-RPWUZVMVSA-N 1 0 498.716 3.751 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCS[C@H](C)C2)CC1 ZINC001313955591 1071656006 /nfs/dbraw/zinc/65/60/06/1071656006.db2.gz SZUUGTCAZZDHAK-RBUKOAKNSA-N 1 0 463.095 3.814 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3OC)nnc2N2CC=C(C)CC2)CC1 ZINC001313955600 1071656231 /nfs/dbraw/zinc/65/62/31/1071656231.db2.gz XENPWEFHJRHILL-UHFFFAOYSA-N 1 0 468.646 3.536 20 0 JHADRO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(CC(C)(C)C)n1CCCN1CC[NH+](CC)CC1 ZINC001313956962 1071658705 /nfs/dbraw/zinc/65/87/05/1071658705.db2.gz OHBDVPRCBWXFES-UHFFFAOYSA-N 1 0 494.688 3.570 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313957264 1071659959 /nfs/dbraw/zinc/65/99/59/1071659959.db2.gz QEJKKQXDAPULGA-IBGZPJMESA-N 1 0 462.733 3.536 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2CCc3c(F)ccc(F)c3C2)CC1 ZINC001313957901 1071661804 /nfs/dbraw/zinc/66/18/04/1071661804.db2.gz RYPYDNSLZSZJET-IBGZPJMESA-N 1 0 460.617 3.591 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3OC)nnc2N(C)CC2CCC2)CC1 ZINC001313957991 1071661894 /nfs/dbraw/zinc/66/18/94/1071661894.db2.gz MCJYGNPKIKBCNP-UHFFFAOYSA-N 1 0 461.054 3.871 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313957936 1071661920 /nfs/dbraw/zinc/66/19/20/1071661920.db2.gz SKKQYDTUBHQTDX-SLFFLAALSA-N 1 0 460.617 3.513 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Br)s3)nnc2N2CC=CCC2)CC1 ZINC001313958575 1071664034 /nfs/dbraw/zinc/66/40/34/1071664034.db2.gz VUKYFNTVQGQWOO-UHFFFAOYSA-N 1 0 465.465 3.563 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001313959982 1071668692 /nfs/dbraw/zinc/66/86/92/1071668692.db2.gz DBRBRYQVGFODEG-QFIPXVFZSA-N 1 0 472.703 3.522 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)CCC(F)(F)F)CC1 ZINC001313959055 1071665755 /nfs/dbraw/zinc/66/57/55/1071665755.db2.gz ZAQBEXBZGPEGIQ-SFHVURJKSA-N 1 0 470.559 3.670 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCOC(C)(C)C2)CC1 ZINC001313959727 1071667534 /nfs/dbraw/zinc/66/75/34/1071667534.db2.gz CBFOUAULOCYYRX-HSZRJFAPSA-N 1 0 484.689 3.678 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CSc3ccc(C)cc3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313961517 1071672857 /nfs/dbraw/zinc/67/28/57/1071672857.db2.gz UAFRCXBKRCSZQS-VXKWHMMOSA-N 1 0 456.704 3.999 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313964619 1071680993 /nfs/dbraw/zinc/68/09/93/1071680993.db2.gz DAAPKPIBTMZBIM-UHFFFAOYSA-N 1 0 491.478 3.790 20 0 JHADRO CCn1nc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(C)C)c2ccccc2c1=O ZINC001313968019 1071691001 /nfs/dbraw/zinc/69/10/01/1071691001.db2.gz VKCPEDNBXSREBN-UHFFFAOYSA-N 1 0 451.619 3.642 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001313971783 1071696587 /nfs/dbraw/zinc/69/65/87/1071696587.db2.gz AXGHRGRLENOWER-UHFFFAOYSA-N 1 0 486.636 3.613 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001313973659 1071700604 /nfs/dbraw/zinc/70/06/04/1071700604.db2.gz GSXNLEBYZGAEBG-JOCHJYFZSA-N 1 0 481.689 3.519 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313974077 1071701849 /nfs/dbraw/zinc/70/18/49/1071701849.db2.gz OLVGFWDPYPTBSL-REWPJTCUSA-N 1 0 466.674 3.882 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC001313981647 1071718058 /nfs/dbraw/zinc/71/80/58/1071718058.db2.gz HCICAAOTBYQSAX-MOPGFXCFSA-N 1 0 466.655 3.647 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC([NH+](CC)CC)CC2)cc1 ZINC001313984178 1071721338 /nfs/dbraw/zinc/72/13/38/1071721338.db2.gz MFZOJCBUEABYAT-UHFFFAOYSA-N 1 0 475.641 3.757 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001313985349 1071723101 /nfs/dbraw/zinc/72/31/01/1071723101.db2.gz ZGNMSMHZJLXYLL-UHFFFAOYSA-N 1 0 475.641 3.757 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001313993784 1071728249 /nfs/dbraw/zinc/72/82/49/1071728249.db2.gz NWGYKTFURBXTJA-GOTSBHOMSA-N 1 0 467.662 3.546 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001313994565 1071730031 /nfs/dbraw/zinc/73/00/31/1071730031.db2.gz QBOLQBUKCQSHIW-JOCHJYFZSA-N 1 0 467.662 3.578 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001313994554 1071730042 /nfs/dbraw/zinc/73/00/42/1071730042.db2.gz POKIZKPUIXHLRM-UHFFFAOYSA-N 1 0 481.689 3.969 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC001313995003 1071730835 /nfs/dbraw/zinc/73/08/35/1071730835.db2.gz LBXHWLRJUKTQCI-NZQKXSOJSA-N 1 0 467.662 3.554 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313999689 1071736413 /nfs/dbraw/zinc/73/64/13/1071736413.db2.gz PVUWRQFIIMWOTQ-QHCPKHFHSA-N 1 0 497.688 3.672 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C(CC)CC)[NH+](C)C)CC1 ZINC001314008290 1071744296 /nfs/dbraw/zinc/74/42/96/1071744296.db2.gz QJHNLHCEZHOMAV-FQEVSTJZSA-N 1 0 450.672 3.999 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001314013984 1071752502 /nfs/dbraw/zinc/75/25/02/1071752502.db2.gz KCLKEHNLKZPVQT-UHFFFAOYSA-N 1 0 458.607 3.778 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(CC)n2C[C@@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC001314017253 1071762693 /nfs/dbraw/zinc/76/26/93/1071762693.db2.gz VXYQFNRSHZIOOM-QFIPXVFZSA-N 1 0 484.645 3.743 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(CC)n2C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC001314016709 1071759638 /nfs/dbraw/zinc/75/96/38/1071759638.db2.gz QPIBILUEZQXHEA-HSZRJFAPSA-N 1 0 468.646 3.808 20 0 JHADRO CCOC(=O)N1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001314017918 1071764194 /nfs/dbraw/zinc/76/41/94/1071764194.db2.gz URHSGYPKDVGMQH-XZOQPEGZSA-N 1 0 468.646 3.973 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CC(C)C)n2CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC001314021775 1071774393 /nfs/dbraw/zinc/77/43/93/1071774393.db2.gz LHPNYFAMETXFDV-UHFFFAOYSA-N 1 0 478.707 3.507 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001314022163 1071775208 /nfs/dbraw/zinc/77/52/08/1071775208.db2.gz IKSDGRNDYSSGSR-HSZRJFAPSA-N 1 0 468.646 3.901 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001314022756 1071776967 /nfs/dbraw/zinc/77/69/67/1071776967.db2.gz PNCDSPRGHIEXCJ-JOCHJYFZSA-N 1 0 460.667 3.657 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314023663 1071779772 /nfs/dbraw/zinc/77/97/72/1071779772.db2.gz ULAHFBBKIARHFF-HXUWFJFHSA-N 1 0 460.667 3.800 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314029801 1071799882 /nfs/dbraw/zinc/79/98/82/1071799882.db2.gz DJJHWCHOIINHTD-NHCUHLMSSA-N 1 0 471.650 3.653 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001314031512 1071806080 /nfs/dbraw/zinc/80/60/80/1071806080.db2.gz ZFRFKFGJEJJHSO-FCEUIQTBSA-N 1 0 484.645 3.787 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001314032767 1071810592 /nfs/dbraw/zinc/81/05/92/1071810592.db2.gz NGIWMKYPPBUBBR-OAQYLSRUSA-N 1 0 470.618 3.545 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001314035208 1071821763 /nfs/dbraw/zinc/82/17/63/1071821763.db2.gz WBJCZQVCPXXMFM-UYAOXDASSA-N 1 0 458.607 3.683 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C1 ZINC001314035427 1071822845 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KRWBUDBPLQMGSE-UHFFFAOYSA-N 1 0 455.525 3.582 20 0 JHADRO CCc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001306073525 1068506805 /nfs/dbraw/zinc/50/68/05/1068506805.db2.gz DEXAQZUWHMUSBN-NHCUHLMSSA-N 1 0 460.692 3.532 20 0 JHADRO CCc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001306117034 1068524077 /nfs/dbraw/zinc/52/40/77/1068524077.db2.gz BAUDWQHGHYJZEF-GGAORHGYSA-N 1 0 452.647 3.840 20 0 JHADRO CCc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001306117259 1068524085 /nfs/dbraw/zinc/52/40/85/1068524085.db2.gz FVSYIVQPQYBBJC-GOSISDBHSA-N 1 0 466.552 3.604 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001306117029 1068524311 /nfs/dbraw/zinc/52/43/11/1068524311.db2.gz AYYDBEHNNFTDMR-FGZHOGPDSA-N 1 0 458.695 3.828 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001306118767 1068526119 /nfs/dbraw/zinc/52/61/19/1068526119.db2.gz VEHHCPDWZWGBTR-JOCHJYFZSA-N 1 0 456.610 3.511 20 0 JHADRO CCc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001306119275 1068526974 /nfs/dbraw/zinc/52/69/74/1068526974.db2.gz ZJTKARPYHDJXTM-UHFFFAOYSA-N 1 0 460.026 3.618 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001306120000 1068528556 /nfs/dbraw/zinc/52/85/56/1068528556.db2.gz LUVAFUQCOLYFOV-VXKWHMMOSA-N 1 0 466.674 3.802 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1CCC[N@H+](C)C(C)C ZINC001306121233 1068529924 /nfs/dbraw/zinc/52/99/24/1068529924.db2.gz WIAVOUQPXPSRTJ-UHFFFAOYSA-N 1 0 458.626 3.551 20 0 JHADRO CCc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001306128848 1068533321 /nfs/dbraw/zinc/53/33/21/1068533321.db2.gz QGPSNEQNFNGPNR-PZJWPPBQSA-N 1 0 464.580 3.826 20 0 JHADRO CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H](C)Oc1ccccc1F ZINC001306135668 1068538288 /nfs/dbraw/zinc/53/82/88/1068538288.db2.gz CQHNXWBCHDPPBN-HSALFYBXSA-N 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CCc1nnc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001306142251 1068543916 /nfs/dbraw/zinc/54/39/16/1068543916.db2.gz PNXPMKUCRAIHPR-NRFANRHFSA-N 1 0 456.635 3.570 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001306143743 1068545771 /nfs/dbraw/zinc/54/57/71/1068545771.db2.gz LGDAYEQPFLJKGH-FQEVSTJZSA-N 1 0 467.643 3.995 20 0 JHADRO CCc1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001306146644 1068549564 /nfs/dbraw/zinc/54/95/64/1068549564.db2.gz VDXXNOJKKZDOJG-NRFANRHFSA-N 1 0 457.619 3.918 20 0 JHADRO CCc1nnc(N2CCc3ccc(Br)cc3C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001306154319 1068553063 /nfs/dbraw/zinc/55/30/63/1068553063.db2.gz HXAZTNDODVNLDE-FQEVSTJZSA-N 1 0 462.436 3.523 20 0 JHADRO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001306158085 1068555979 /nfs/dbraw/zinc/55/59/79/1068555979.db2.gz SWRIMMWWSSKUAJ-LEWJYISDSA-N 1 0 453.635 3.519 20 0 JHADRO CCc1nnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001306160073 1068556717 /nfs/dbraw/zinc/55/67/17/1068556717.db2.gz WBBWGNNTATVPQK-QKNQBKEWSA-N 1 0 460.667 3.797 20 0 JHADRO CCc1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001306162481 1068558090 /nfs/dbraw/zinc/55/80/90/1068558090.db2.gz RHHXJFOVEHPIGK-FQEVSTJZSA-N 1 0 467.618 3.720 20 0 JHADRO CCc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001306162570 1068558106 /nfs/dbraw/zinc/55/81/06/1068558106.db2.gz UZASQEGIESSVRM-IRFCIJBXSA-N 1 0 460.667 3.987 20 0 JHADRO CCc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001306167080 1068563200 /nfs/dbraw/zinc/56/32/00/1068563200.db2.gz ZLSUTYBKRPMGBZ-FQEVSTJZSA-N 1 0 467.662 3.571 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306179985 1068570592 /nfs/dbraw/zinc/57/05/92/1068570592.db2.gz KOFXDSBJHLUCRT-PSWAGMNNSA-N 1 0 480.701 3.880 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001306180233 1068571191 /nfs/dbraw/zinc/57/11/91/1068571191.db2.gz RTLVBHABLJGEHF-OAQYLSRUSA-N 1 0 461.054 3.823 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001306184705 1068575505 /nfs/dbraw/zinc/57/55/05/1068575505.db2.gz PALVNHGXHIVRBH-IBGZPJMESA-N 1 0 459.038 3.721 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001306186044 1068577363 /nfs/dbraw/zinc/57/73/63/1068577363.db2.gz NQVJMRFPLCTUDL-NRFANRHFSA-N 1 0 459.038 3.577 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306186340 1068577607 /nfs/dbraw/zinc/57/76/07/1068577607.db2.gz ZQUOCLJSNJRMGG-FGZHOGPDSA-N 1 0 466.674 3.868 20 0 JHADRO CCc1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001306188025 1068579575 /nfs/dbraw/zinc/57/95/75/1068579575.db2.gz WVAGMQYLJRGJAP-VWNXMTODSA-N 1 0 481.689 3.725 20 0 JHADRO 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CCc1nsc(N2CCCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)n1 ZINC001306240114 1068638234 /nfs/dbraw/zinc/63/82/34/1068638234.db2.gz WZXYHXBARJGOTG-LJQANCHMSA-N 1 0 460.696 3.653 20 0 JHADRO CCc1nsc(N2CCN(c3nnc([C@@H](C)CC)n3CC[C@@H](C)[NH+]3CCCCC3)CC2)n1 ZINC001306240230 1068638287 /nfs/dbraw/zinc/63/82/87/1068638287.db2.gz LEKPWPWJKUKNJI-RBUKOAKNSA-N 1 0 460.696 3.797 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(Br)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001306244568 1068648626 /nfs/dbraw/zinc/64/86/26/1068648626.db2.gz CFDWBYCBZLPTMS-LJQANCHMSA-N 1 0 489.462 3.687 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc3cccnc32)n1CCC[NH+](C(C)C)C(C)C ZINC001306245443 1068651134 /nfs/dbraw/zinc/65/11/34/1068651134.db2.gz OUFMDCLEMHOIOK-QFIPXVFZSA-N 1 0 463.630 3.717 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306246595 1068654149 /nfs/dbraw/zinc/65/41/49/1068654149.db2.gz VBGYCWNXYGYEBF-UZLBHIALSA-N 1 0 477.028 3.963 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001306248585 1068658958 /nfs/dbraw/zinc/65/89/58/1068658958.db2.gz VYXTZEBEDZDHQS-QFIPXVFZSA-N 1 0 452.647 3.832 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001306259319 1068667504 /nfs/dbraw/zinc/66/75/04/1068667504.db2.gz FFDHRERXDNYJLA-MOPGFXCFSA-N 1 0 489.045 3.590 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001306262415 1068672671 /nfs/dbraw/zinc/67/26/71/1068672671.db2.gz XIQDCTXICPOVSS-RTWAWAEBSA-N 1 0 482.654 3.553 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+](C)CCOC ZINC001306265518 1068679463 /nfs/dbraw/zinc/67/94/63/1068679463.db2.gz WHNNMUUIIMSVFM-SJLPKXTDSA-N 1 0 467.456 3.639 20 0 JHADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001306282096 1068699166 /nfs/dbraw/zinc/69/91/66/1068699166.db2.gz VWZIMLROAXWTQD-KSZLIROESA-N 1 0 456.616 3.790 20 0 JHADRO CC[C@H]1C[C@@H](C)CN1c1nnc(-c2cccc(OC)c2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001306285398 1068703217 /nfs/dbraw/zinc/70/32/17/1068703217.db2.gz DZEAFEPFHUDODJ-OFNKIYASSA-N 1 0 454.663 3.852 20 0 JHADRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cc(OC)ccc2Br)n1CC[N@H+](C)CCOC ZINC001306285448 1068703444 /nfs/dbraw/zinc/70/34/44/1068703444.db2.gz FXGKJPBVOUERQO-DLBZAZTESA-N 1 0 480.451 3.919 20 0 JHADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)C1 ZINC001306308033 1068726501 /nfs/dbraw/zinc/72/65/01/1068726501.db2.gz DXMVTLJLYZIMTI-CZIOWHBQSA-N 1 0 453.967 3.705 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(OC)c(OC)cc1C ZINC001306314561 1068733741 /nfs/dbraw/zinc/73/37/41/1068733741.db2.gz MFNDFGNHKVGSIG-QFIPXVFZSA-N 1 0 498.672 3.741 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001306316805 1068736841 /nfs/dbraw/zinc/73/68/41/1068736841.db2.gz GVAYAWHKYTYSBK-YLJYHZDGSA-N 1 0 489.462 3.639 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001306317508 1068738145 /nfs/dbraw/zinc/73/81/45/1068738145.db2.gz JOXBUAUFOSABKR-GOTSBHOMSA-N 1 0 467.662 3.762 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001306317550 1068738289 /nfs/dbraw/zinc/73/82/89/1068738289.db2.gz KRTPVQGMMUESIK-XMMPIXPASA-N 1 0 452.647 3.523 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001306317622 1068739224 /nfs/dbraw/zinc/73/92/24/1068739224.db2.gz AOMNZIAGHAHPLL-NRFANRHFSA-N 1 0 489.686 3.622 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306317960 1068739850 /nfs/dbraw/zinc/73/98/50/1068739850.db2.gz CIUQNXPOOUATSA-HXUWFJFHSA-N 1 0 456.635 3.806 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCO[C@@H](C)C1 ZINC001306317983 1068740460 /nfs/dbraw/zinc/74/04/60/1068740460.db2.gz CKFPXPJNDQZCIJ-VQTJNVASSA-N 1 0 457.619 3.842 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001306318266 1068741228 /nfs/dbraw/zinc/74/12/28/1068741228.db2.gz FMWRKWQUBVRPDQ-NRFANRHFSA-N 1 0 450.587 3.955 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCO[C@@H](C)C1 ZINC001306318612 1068742745 /nfs/dbraw/zinc/74/27/45/1068742745.db2.gz PBBOMNSKXDCMNP-UGKGYDQZSA-N 1 0 489.064 3.741 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306319355 1068744697 /nfs/dbraw/zinc/74/46/97/1068744697.db2.gz KPVGHZUZOKZCKR-FCHUYYIVSA-N 1 0 498.672 3.531 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001306319340 1068744789 /nfs/dbraw/zinc/74/47/89/1068744789.db2.gz KJVAJIPXSULDQD-QZTJIDSGSA-N 1 0 484.041 3.625 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Cl)s1 ZINC001306319600 1068745975 /nfs/dbraw/zinc/74/59/75/1068745975.db2.gz VAXFAWCONQUCND-HOTGVXAUSA-N 1 0 489.111 3.504 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C1 ZINC001306319552 1068746096 /nfs/dbraw/zinc/74/60/96/1068746096.db2.gz UGECPAUYFLSVFM-WIYYLYMNSA-N 1 0 459.038 3.972 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001306320223 1068747938 /nfs/dbraw/zinc/74/79/38/1068747938.db2.gz RPGOZMRPRJZPDH-YQVWRLOYSA-N 1 0 454.541 3.704 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Br)s2)nnc1N(C)CCCC(=O)NC ZINC001306320791 1068749766 /nfs/dbraw/zinc/74/97/66/1068749766.db2.gz XCSBWNCYZVJWDN-INIZCTEOSA-N 1 0 497.507 3.996 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001306321047 1068750268 /nfs/dbraw/zinc/75/02/68/1068750268.db2.gz AQMPAIWFWIIWDO-QHAWAJNXSA-N 1 0 457.619 3.744 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001306321849 1068752174 /nfs/dbraw/zinc/75/21/74/1068752174.db2.gz DXCZNIIXWIRLKL-OAQYLSRUSA-N 1 0 485.702 3.605 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001306322688 1068754591 /nfs/dbraw/zinc/75/45/91/1068754591.db2.gz ILCCDLDXRKCFRF-NHCUHLMSSA-N 1 0 470.687 3.845 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001306322796 1068755140 /nfs/dbraw/zinc/75/51/40/1068755140.db2.gz HTSWNQZZJSMHEJ-QFIPXVFZSA-N 1 0 482.673 3.799 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001306323476 1068756387 /nfs/dbraw/zinc/75/63/87/1068756387.db2.gz LXFVDERPCPSNMR-IRLDBZIGSA-N 1 0 482.673 3.731 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306323963 1068757855 /nfs/dbraw/zinc/75/78/55/1068757855.db2.gz NKTGKRRGVXVLEH-OLKYXYMISA-N 1 0 488.721 3.766 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001306324043 1068758395 /nfs/dbraw/zinc/75/83/95/1068758395.db2.gz NBEKESJIFNWEGJ-RCZVLFRGSA-N 1 0 495.716 3.906 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001306324695 1068759840 /nfs/dbraw/zinc/75/98/40/1068759840.db2.gz UVUYPZMOYTUCLZ-CBPXPLCBSA-N 1 0 490.693 3.786 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306325314 1068761812 /nfs/dbraw/zinc/76/18/12/1068761812.db2.gz SOBCJOMXQGDUHU-HXUWFJFHSA-N 1 0 498.569 3.945 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001306326444 1068764163 /nfs/dbraw/zinc/76/41/63/1068764163.db2.gz ZLJCHCAEPUNBAG-XXBNENTESA-N 1 0 473.065 3.844 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCC[C@](C)(OC)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306326578 1068764898 /nfs/dbraw/zinc/76/48/98/1068764898.db2.gz ZUGOTWCJTBZBEA-ZODMCCGTSA-N 1 0 463.667 3.589 20 0 JHADRO CC[C@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCC[NH+](C)C)C1 ZINC001306334838 1068772330 /nfs/dbraw/zinc/77/23/30/1068772330.db2.gz CWYZBEFZXUTVNE-SFTDATJTSA-N 1 0 478.682 3.597 20 0 JHADRO CC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001306337545 1068774267 /nfs/dbraw/zinc/77/42/67/1068774267.db2.gz QQPOLQFIBIILNS-XPNTWCBSSA-N 1 0 473.687 3.717 20 0 JHADRO CC[C@H]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)[NH+](CC)CC)C1 ZINC001306338537 1068775263 /nfs/dbraw/zinc/77/52/63/1068775263.db2.gz ZVNMIWKOMIAHFC-SFTDATJTSA-N 1 0 454.667 3.809 20 0 JHADRO CC[C@@H]1CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001306342431 1068779036 /nfs/dbraw/zinc/77/90/36/1068779036.db2.gz QPYNIPBWCZGYEQ-RZUBCFFCSA-N 1 0 458.626 3.962 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001306348427 1068785245 /nfs/dbraw/zinc/78/52/45/1068785245.db2.gz UDFRZRMMGJWZQG-UYAOXDASSA-N 1 0 462.589 3.951 20 0 JHADRO CC[C@@H]1CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCCC1 ZINC001306349403 1068786220 /nfs/dbraw/zinc/78/62/20/1068786220.db2.gz CZXBLMSGICCLJK-NHCUHLMSSA-N 1 0 476.666 3.841 20 0 JHADRO 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O=C(Nc1cccc(-c2nnsc2Cl)c1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001311041670 1069256190 /nfs/dbraw/zinc/25/61/90/1069256190.db2.gz FYZSVPLBLHQKSA-MJGOQNOKSA-N 1 0 457.987 3.863 20 0 JHADRO CCC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)OC ZINC001306593212 1069263546 /nfs/dbraw/zinc/26/35/46/1069263546.db2.gz OPHWMCXJMSHIQN-HBMCJLEFSA-N 1 0 476.666 3.840 20 0 JHADRO CN1CC[NH+](CC2CCN(C(=O)Nc3ccc([C@@H]4C[C@H]4NC(=O)OC(C)(C)C)cc3)CC2)CC1 ZINC001311105910 1069274556 /nfs/dbraw/zinc/27/45/56/1069274556.db2.gz FWJSPTFPZOQDGU-XZOQPEGZSA-N 1 0 471.646 3.559 20 0 JHADRO O=C(Nc1cc(F)c(F)c(F)c1F)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001311117694 1069277804 /nfs/dbraw/zinc/27/78/04/1069277804.db2.gz XHJNYNZGRAJZRL-OAHLLOKOSA-N 1 0 451.468 3.704 20 0 JHADRO CCCc1nc(C)c(Cn2c(-c3ccccc3C)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)o1 ZINC001306611025 1069287965 /nfs/dbraw/zinc/28/79/65/1069287965.db2.gz ZTNQYYLMGMGAOB-IBGZPJMESA-N 1 0 452.603 3.708 20 0 JHADRO 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FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416567 718885289 /nfs/dbraw/zinc/88/52/89/718885289.db2.gz ZQEORXKBFHWHIG-UHFFFAOYSA-N 1 0 474.730 3.825 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164620963 719009760 /nfs/dbraw/zinc/00/97/60/719009760.db2.gz ZXPQPAWPVZULTC-HXOBKFHXSA-N 1 0 491.970 3.886 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164620965 719009987 /nfs/dbraw/zinc/00/99/87/719009987.db2.gz ZXPQPAWPVZULTC-SBUREZEXSA-N 1 0 491.970 3.886 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cccc3c(Cl)ncnc31)C2 ZINC001164617214 719010373 /nfs/dbraw/zinc/01/03/73/719010373.db2.gz NDQXPITUDBAAFS-HTAPYJJXSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)CC2)CC1 ZINC001164613815 719024067 /nfs/dbraw/zinc/02/40/67/719024067.db2.gz FWHQVCMMYUKSFG-UHFFFAOYSA-N 1 0 473.792 3.624 20 0 JHADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCC(C4C[NH2+]C4)CC3)c2c1C ZINC001164614697 719037311 /nfs/dbraw/zinc/03/73/11/719037311.db2.gz FWKFVAMBIAXSOH-UHFFFAOYSA-N 1 0 457.644 3.598 20 0 JHADRO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)cnc1Cl ZINC001164620315 719050533 /nfs/dbraw/zinc/05/05/33/719050533.db2.gz GBAAMVHORJLSHH-PXNSSMCTSA-N 1 0 455.958 3.657 20 0 JHADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164625380 719056253 /nfs/dbraw/zinc/05/62/53/719056253.db2.gz PJMYLCKKZVNORT-SJLPKXTDSA-N 1 0 450.917 3.952 20 0 JHADRO CC(=O)Oc1cc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2cc1OC(C)=O ZINC001164626743 719089279 /nfs/dbraw/zinc/08/92/79/719089279.db2.gz IQRKSUQMQPHJNF-NZQKXSOJSA-N 1 0 460.534 3.581 20 0 JHADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625133 719090362 /nfs/dbraw/zinc/09/03/62/719090362.db2.gz GWHAYERUZSLNBK-DENIHFKCSA-N 1 0 450.583 3.954 20 0 JHADRO [NH3+]C1([C@@H]2CN([C@]3(F)CN(Cc4ccccc4)Cc4c(Cl)nc(Cl)nc43)C[C@H]2CF)CC1 ZINC001164620070 719119503 /nfs/dbraw/zinc/11/95/03/719119503.db2.gz GORSJONVYSZACR-ZDPZECHZSA-N 1 0 468.379 3.930 20 0 JHADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@@H]2CF)CC1 ZINC001164625808 719121672 /nfs/dbraw/zinc/12/16/72/719121672.db2.gz YZGTWGPQEYAJEY-AZUAARDMSA-N 1 0 467.614 3.704 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(C[C@@H](CNc4ccc(C)nn4)CO3)C2)nc1 ZINC001164638254 719266560 /nfs/dbraw/zinc/26/65/60/719266560.db2.gz ODYWTLSVRXFYAT-LLGBQNBKSA-N 1 0 480.657 3.841 20 0 JHADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@@H]5[C@H](OCc6ccncc6)CC[C@@H]54)ccc3C2)cc1 ZINC001164648521 719292994 /nfs/dbraw/zinc/29/29/94/719292994.db2.gz UUADFEVKWPXORV-REUBFRLUSA-N 1 0 456.590 3.988 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2ccnc(N(C)C)n2)C3)nc1 ZINC001164665377 719357652 /nfs/dbraw/zinc/35/76/52/719357652.db2.gz VPAOUDUMWFEKOT-KCWPFWIISA-N 1 0 479.673 3.608 20 0 JHADRO CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164673685 719441879 /nfs/dbraw/zinc/44/18/79/719441879.db2.gz TXDGMLXPVZTACC-ZWKOTPCHSA-N 1 0 484.647 3.988 20 0 JHADRO Cn1ncc2c1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C[C@H]2COc1cccnc1 ZINC001164686138 719601964 /nfs/dbraw/zinc/60/19/64/719601964.db2.gz OEGSVCPWOVUDFQ-KRWDZBQOSA-N 1 0 486.954 3.968 20 0 JHADRO CSc1nc(C)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680249 719655563 /nfs/dbraw/zinc/65/55/63/719655563.db2.gz DPPIKHPZXSOLGL-IBGZPJMESA-N 1 0 453.656 3.600 20 0 JHADRO COC(=O)c1ccc(Cl)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684141 719656313 /nfs/dbraw/zinc/65/63/13/719656313.db2.gz WHRCZTCGRBLZKB-GOSISDBHSA-N 1 0 485.028 3.615 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4ccoc43)CC2)c2ccccc21 ZINC001164681357 719659037 /nfs/dbraw/zinc/65/90/37/719659037.db2.gz MEGBCWHDKNJNPC-KRWDZBQOSA-N 1 0 468.001 3.970 20 0 JHADRO CSc1ncc(Cl)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683156 719660768 /nfs/dbraw/zinc/66/07/68/719660768.db2.gz UUTHRBXDDGADNT-KRWDZBQOSA-N 1 0 474.074 3.945 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4c3SCC4)CC2)c2ccccc21 ZINC001164682750 719665111 /nfs/dbraw/zinc/66/51/11/719665111.db2.gz SUFHOTSWNDLIEQ-QGZVFWFLSA-N 1 0 486.085 3.872 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4c(F)cccc43)CC2)c2ccccc21 ZINC001164680029 719665770 /nfs/dbraw/zinc/66/57/70/719665770.db2.gz AXTAKEJBUAVLSR-IBGZPJMESA-N 1 0 461.585 3.862 20 0 JHADRO COc1ccc(Cl)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681542 719669035 /nfs/dbraw/zinc/66/90/35/719669035.db2.gz MROIXODSTALFCD-SFHVURJKSA-N 1 0 457.018 3.837 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cc(N)cc(Cl)n3)CC2)c2ccccc21 ZINC001164681080 719672179 /nfs/dbraw/zinc/67/21/79/719672179.db2.gz JIIFTYNSWNZTDD-KRWDZBQOSA-N 1 0 492.014 3.956 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4cc(Cl)cnc43)CC2)c2ccccc21 ZINC001164680066 719672284 /nfs/dbraw/zinc/67/22/84/719672284.db2.gz BFHZNFSUDRPCMY-SFHVURJKSA-N 1 0 479.028 3.772 20 0 JHADRO CC(C)n1cnc2cnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc21 ZINC001164686814 719677159 /nfs/dbraw/zinc/67/71/59/719677159.db2.gz XAWVFZSOTQSQKD-FQEVSTJZSA-N 1 0 475.641 3.501 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccnc(N4CCCCC4)n3)CC2)c2ccccc21 ZINC001164680102 719677798 /nfs/dbraw/zinc/67/77/98/719677798.db2.gz CJVUPFXWIOHHDY-QFIPXVFZSA-N 1 0 476.669 3.560 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(-c4ccncc4)ncn3)CC2)c2ccccc21 ZINC001164682802 719678863 /nfs/dbraw/zinc/67/88/63/719678863.db2.gz PRBFRBMLDGUICK-QFIPXVFZSA-N 1 0 470.621 3.632 20 0 JHADRO COc1ccnc(Cl)c1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685578 719680460 /nfs/dbraw/zinc/68/04/60/719680460.db2.gz LGFZAAVUNIIKSW-SFHVURJKSA-N 1 0 457.018 3.837 20 0 JHADRO 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QERAYJPCBJIOAT-HOYKHHGWSA-N 1 0 470.980 3.901 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4scc(-c5ccc(OC)cc5)c43)CC[C@H]2C1 ZINC001164863623 720874441 /nfs/dbraw/zinc/87/44/41/720874441.db2.gz SXBYKXWPLYCBSQ-GHTZIAJQSA-N 1 0 454.596 3.540 20 0 JHADRO FC(F)(c1nccc(Cl)n1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752495 720874761 /nfs/dbraw/zinc/87/47/61/720874761.db2.gz NDEKMHXZZIFISY-SIKLNZKXSA-N 1 0 463.960 3.825 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC[C@H]2C1 ZINC001164854431 720877919 /nfs/dbraw/zinc/87/79/19/720877919.db2.gz FGIQCDOWBWMXGY-PXNSSMCTSA-N 1 0 452.933 3.515 20 0 JHADRO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)SCC2 ZINC001164756893 720884071 /nfs/dbraw/zinc/88/40/71/720884071.db2.gz SBEQWRXTUHLDPH-DVECYGJZSA-N 1 0 472.058 3.928 20 0 JHADRO CC1(C)OC(=O)c2c1ccnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756953 720885764 /nfs/dbraw/zinc/88/57/64/720885764.db2.gz SPBAWXOHJNDVBX-KDYSTLNUSA-N 1 0 462.594 3.637 20 0 JHADRO COC(=O)c1c(C)cc(C)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755999 720888351 /nfs/dbraw/zinc/88/83/51/720888351.db2.gz NZFCTLBXJAHJRD-HOFKKMOUSA-N 1 0 464.610 3.635 20 0 JHADRO COc1nc(Cl)nc(C)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756295 720889798 /nfs/dbraw/zinc/88/97/98/720889798.db2.gz PJUJLKJSBZMHQJ-GBXCKJPGSA-N 1 0 458.006 3.597 20 0 JHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nccc(N4CCCCC4)n2)C3)c1 ZINC001164758838 720897516 /nfs/dbraw/zinc/89/75/16/720897516.db2.gz ZTWJPOPWDAEZIS-SQHAQQRYSA-N 1 0 462.642 3.617 20 0 JHADRO COC(OC)c1cc(C)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755979 720899852 /nfs/dbraw/zinc/89/98/52/720899852.db2.gz NXKRBZZAERERGK-YIXXDRMTSA-N 1 0 466.626 3.832 20 0 JHADRO COc1nc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164746469 720905363 /nfs/dbraw/zinc/90/53/63/720905363.db2.gz ANRIOFCAQWOLNO-WMZHIEFXSA-N 1 0 493.986 3.834 20 0 JHADRO CC(C)n1cnc2cnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164753144 720911852 /nfs/dbraw/zinc/91/18/52/720911852.db2.gz QKWXGNXPAWVVIG-ATIYNZHBSA-N 1 0 461.614 3.557 20 0 JHADRO COc1cccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164754223 720914217 /nfs/dbraw/zinc/91/42/17/720914217.db2.gz UPYACKYLPUCGKT-CUNXSJBXSA-N 1 0 459.594 3.789 20 0 JHADRO FC(F)(COc1cncc(Cl)n1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751314 720915226 /nfs/dbraw/zinc/91/52/26/720915226.db2.gz LHYHRPJVVRNYIX-NZQKXSOJSA-N 1 0 493.986 3.747 20 0 JHADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)CC2 ZINC001164754845 720969503 /nfs/dbraw/zinc/96/95/03/720969503.db2.gz YJOVMFRMYHEXOW-UHFFFAOYSA-N 1 0 481.956 3.851 20 0 JHADRO COc1ccc(Cn2cc3[nH]c(N4CCn5c(C[N@H+](C)C(C)C)cnc5[C@H]4C)ccc-3c2=O)cc1 ZINC001164864116 720997374 /nfs/dbraw/zinc/99/73/74/720997374.db2.gz XNPBEHRIYCMKEH-LJQANCHMSA-N 1 0 474.609 3.864 20 0 JHADRO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164868373 721061899 /nfs/dbraw/zinc/06/18/99/721061899.db2.gz OFTGRRDMJKYIRY-GOTSBHOMSA-N 1 0 477.996 3.540 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C(=O)Nc5ccc(Cl)nc5)ccc4F)C[C@@H]3C2)cn1 ZINC001164768113 721134489 /nfs/dbraw/zinc/13/44/89/721134489.db2.gz NHAVGCQOIWPMQC-OALUTQOASA-N 1 0 468.964 3.818 20 0 JHADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880662 721163285 /nfs/dbraw/zinc/16/32/85/721163285.db2.gz WURDUQDLFMYQDY-IZIIKQMZSA-N 1 0 469.948 3.799 20 0 JHADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880959 721184312 /nfs/dbraw/zinc/18/43/12/721184312.db2.gz YIJIKGZJBWPSEV-MSOLQXFVSA-N 1 0 455.921 3.936 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164765652 721201099 /nfs/dbraw/zinc/20/10/99/721201099.db2.gz IBNBPHPHVGVBOO-VQTJNVASSA-N 1 0 471.634 3.934 20 0 JHADRO Fc1ccccc1-c1nc2ccn(Cc3ccc(N4CC5(C4)CC[N@H+](CC4CC4)C5)nn3)cc-2n1 ZINC001164771055 721281365 /nfs/dbraw/zinc/28/13/65/721281365.db2.gz ZATRSOPUGRYAFJ-UHFFFAOYSA-N 1 0 469.568 3.949 20 0 JHADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3c(Cl)ccc4ccc(Cl)nc43)CC2)C1 ZINC001164879169 721290793 /nfs/dbraw/zinc/29/07/93/721290793.db2.gz VXTYFNRWNYAUPG-UHFFFAOYSA-N 1 0 451.398 3.549 20 0 JHADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(Cl)nc(-c4ccc(F)c(Cl)c4)n3)CC2)C1 ZINC001164875909 721291521 /nfs/dbraw/zinc/29/15/21/721291521.db2.gz HXQVKTXGKNQSFU-UHFFFAOYSA-N 1 0 496.414 3.597 20 0 JHADRO COC(=O)c1cc2c(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)[nH]c(Cl)cc-2n1 ZINC001164782251 721360851 /nfs/dbraw/zinc/36/08/51/721360851.db2.gz LPZQIIMBENTYEN-DEOSSOPVSA-N 1 0 487.988 3.727 20 0 JHADRO COc1cc2nc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ccc2c(OC)c1 ZINC001164780199 721373034 /nfs/dbraw/zinc/37/30/34/721373034.db2.gz FPGPOJACYITYFO-SANMLTNESA-N 1 0 466.582 3.976 20 0 JHADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCO[C@@]3(CCC[C@@H]3COCc3ccncc3)C2)c1 ZINC001164782591 721385485 /nfs/dbraw/zinc/38/54/85/721385485.db2.gz MLMUCTDSOYEYHL-BVAGGSTKSA-N 1 0 452.599 3.544 20 0 JHADRO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@]5(C4)CCC[C@H](C[NH+]4CCN(C)CC4)O5)c32)C1 ZINC001164886143 721409624 /nfs/dbraw/zinc/40/96/24/721409624.db2.gz HVHQOUIBLKBXDM-MPCDZSKCSA-N 1 0 455.672 3.582 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5cccc(Cl)c54)C3)O2)CC1 ZINC001164883512 721411346 /nfs/dbraw/zinc/41/13/46/721411346.db2.gz AKOLSJORQHFIMO-KSFYIVLOSA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C3)O2)CC1 ZINC001164899863 721439832 /nfs/dbraw/zinc/43/98/32/721439832.db2.gz ZKPNEBOAGWFTCO-MBSDFSHPSA-N 1 0 493.002 3.502 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccncc5)nc5sccc54)C3)O2)CC1 ZINC001164897565 721444874 /nfs/dbraw/zinc/44/48/74/721444874.db2.gz UFEJGGXPJGLRFH-CJFMBICVSA-N 1 0 464.639 3.519 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccn5)nc5sccc54)C3)O2)CC1 ZINC001164889619 721444908 /nfs/dbraw/zinc/44/49/08/721444908.db2.gz CJASXYHSXUOMJU-CLOONOSVSA-N 1 0 464.639 3.519 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)O2)CC1 ZINC001164892036 721451984 /nfs/dbraw/zinc/45/19/84/721451984.db2.gz VXSHAGGGTUIREG-CTNGQTDRSA-N 1 0 454.993 3.620 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)CC2 ZINC001164785824 721464760 /nfs/dbraw/zinc/46/47/60/721464760.db2.gz NTDVTSRRCVBBKZ-FQEVSTJZSA-N 1 0 455.647 3.989 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(N)c1)CC2 ZINC001164789424 721465009 /nfs/dbraw/zinc/46/50/09/721465009.db2.gz MPKIJXYEMIRGIM-SFHVURJKSA-N 1 0 458.981 3.596 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccncc3)n1)CC2 ZINC001164787194 721466960 /nfs/dbraw/zinc/46/69/60/721466960.db2.gz DFXWUAPNYFIDHY-QHCPKHFHSA-N 1 0 451.615 3.581 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3ccc(OC)cc3)ncn1)CC2 ZINC001164786273 721467837 /nfs/dbraw/zinc/46/78/37/721467837.db2.gz AIWKSTCFAJFNHU-HSZRJFAPSA-N 1 0 466.626 3.886 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3cc(OC)c(OC)cc3cn1)CC2 ZINC001164786681 721468330 /nfs/dbraw/zinc/46/83/30/721468330.db2.gz BYCJOCIJZQFQEG-QHCPKHFHSA-N 1 0 469.626 3.986 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccc(OC)cc3nc1C)CC2 ZINC001164786685 721468560 /nfs/dbraw/zinc/46/85/60/721468560.db2.gz BYROVUSLZBEKQC-NRFANRHFSA-N 1 0 454.615 3.681 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3nc(C(C)C)no3)ccn1)CC2 ZINC001164790631 721469244 /nfs/dbraw/zinc/46/92/44/721469244.db2.gz SWXVPFITYCVNGY-JOCHJYFZSA-N 1 0 469.630 3.989 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3nc(C(C)C)no3)ccn1)CC2 ZINC001164790632 721469375 /nfs/dbraw/zinc/46/93/75/721469375.db2.gz SWXVPFITYCVNGY-QFIPXVFZSA-N 1 0 469.630 3.989 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3c(cc(OC)cc3OC)n1)CC2 ZINC001164790595 721471503 /nfs/dbraw/zinc/47/15/03/721471503.db2.gz RTQHDULRJQQNJB-OAQYLSRUSA-N 1 0 469.626 3.986 20 0 JHADRO CNC(=O)N[C@H]1CC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)c2ccc(C)cc21 ZINC001164901889 721492541 /nfs/dbraw/zinc/49/25/41/721492541.db2.gz XEOLEZGVSUDBLF-QHCPKHFHSA-N 1 0 463.626 3.777 20 0 JHADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CCC[C@H](OCC4CC4)[C@@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164900369 721498500 /nfs/dbraw/zinc/49/85/00/721498500.db2.gz OJBVZEIXJFHNIL-FUCAVZNHSA-N 1 0 484.685 3.912 20 0 JHADRO COC(=O)c1ccc2nc(Cl)c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2c1 ZINC001164900009 721515184 /nfs/dbraw/zinc/51/51/84/721515184.db2.gz NAPGALVHAQPGNN-FUHWJXTLSA-N 1 0 456.905 3.551 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccccc4)nc4ccc(Cl)cc42)CC3)CC1 ZINC001164797736 721515416 /nfs/dbraw/zinc/51/54/16/721515416.db2.gz MCCKEQRQUGFARI-UHFFFAOYSA-N 1 0 474.012 3.914 20 0 JHADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CC[N@@H+]3C2)c1 ZINC001164896944 721518211 /nfs/dbraw/zinc/51/82/11/721518211.db2.gz CSKSYQBPKKCFRN-UPVQGACJSA-N 1 0 459.569 3.516 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4scc(-c5ccc(Cl)cc5)c42)CC3)CC1 ZINC001164797787 721518374 /nfs/dbraw/zinc/51/83/74/721518374.db2.gz NHKUUDZZENHCOY-UHFFFAOYSA-N 1 0 480.041 3.976 20 0 JHADRO Cc1ccc(-c2nnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c3ccccc32)cc1C ZINC001164798395 721518952 /nfs/dbraw/zinc/51/89/52/721518952.db2.gz TYSBTBVTZQGYHR-UHFFFAOYSA-N 1 0 467.621 3.878 20 0 JHADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)CC[N@@H+]3C2)c1 ZINC001164908105 721529742 /nfs/dbraw/zinc/52/97/42/721529742.db2.gz ORWNGLDDXZHQKP-UPVQGACJSA-N 1 0 459.569 3.516 20 0 JHADRO CN(C)C(=O)c1cc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164908829 721533830 /nfs/dbraw/zinc/53/38/30/721533830.db2.gz QRZPRYBEYMGEHM-GMAHTHKFSA-N 1 0 492.599 3.729 20 0 JHADRO CCOC(Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)OCC ZINC001164905208 721534245 /nfs/dbraw/zinc/53/42/45/721534245.db2.gz GQGWJOKSKOERPN-HKUYNNGSSA-N 1 0 464.969 3.553 20 0 JHADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164909796 721542107 /nfs/dbraw/zinc/54/21/07/721542107.db2.gz RWRJUAXTQXXUID-QFBILLFUSA-N 1 0 459.884 3.937 20 0 JHADRO COc1cc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2cc1OC ZINC001164810563 721545636 /nfs/dbraw/zinc/54/56/36/721545636.db2.gz XHMKQCNYEFSIKQ-XQBPLPMBSA-N 1 0 469.973 3.564 20 0 JHADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164911060 721552348 /nfs/dbraw/zinc/55/23/48/721552348.db2.gz YGZGUWDWJSPVDF-ZBFHGGJFSA-N 1 0 455.864 3.548 20 0 JHADRO CCOc1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2cc1OCC ZINC001164809396 721555120 /nfs/dbraw/zinc/55/51/20/721555120.db2.gz WWEMMAWDRVGHSG-WRALFONMSA-N 1 0 463.582 3.690 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)COCc2c(C)nc(N(C)C)nc23)nc1 ZINC001164809358 721606624 /nfs/dbraw/zinc/60/66/24/721606624.db2.gz ZZJHGTXMRDDSQX-GJZUVCINSA-N 1 0 450.631 3.861 20 0 JHADRO FC(F)(COc1ccc(Cl)nn1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164911237 721724369 /nfs/dbraw/zinc/72/43/69/721724369.db2.gz JETCNOAEGJIKHG-GOSISDBHSA-N 1 0 459.875 3.730 20 0 JHADRO CC(C)CCNS(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912729 721726514 /nfs/dbraw/zinc/72/65/14/721726514.db2.gz PTNCHLJLJHELEN-QHCPKHFHSA-N 1 0 493.624 3.539 20 0 JHADRO O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)[C@H]2C1 ZINC001165021163 721773395 /nfs/dbraw/zinc/77/33/95/721773395.db2.gz ZVUZDSZBBJOCBK-APWZRJJASA-N 1 0 462.928 3.991 20 0 JHADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026277 721801146 /nfs/dbraw/zinc/80/11/46/721801146.db2.gz QGNZCBGZGRTGEC-KFKAGJAMSA-N 1 0 479.959 3.984 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccsc4c(N4CCOCC4)n3)C[C@@H]21 ZINC001165021408 721804229 /nfs/dbraw/zinc/80/42/29/721804229.db2.gz GRRBCWPGTSDEBQ-KAGYGMCKSA-N 1 0 464.639 3.660 20 0 JHADRO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C(=O)OCC ZINC001165027830 721832328 /nfs/dbraw/zinc/83/23/28/721832328.db2.gz UDKOUWYKGLIKGA-NYVOZVTQSA-N 1 0 466.582 3.567 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)nc1 ZINC001164928681 721833805 /nfs/dbraw/zinc/83/38/05/721833805.db2.gz XOCINEADVBCGIT-UKILVPOCSA-N 1 0 471.671 3.501 20 0 JHADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001164926681 721875267 /nfs/dbraw/zinc/87/52/67/721875267.db2.gz SFIVJPCKFGGVNT-WOJBJXKFSA-N 1 0 478.971 3.948 20 0 JHADRO CS(=O)(=O)c1ccc(-c2noc(C3CCN(c4ncccc4C[NH+]4CCCC4)CC3)n2)cc1 ZINC001165032720 721876850 /nfs/dbraw/zinc/87/68/50/721876850.db2.gz BBNSLLIVHZZTGZ-UHFFFAOYSA-N 1 0 467.595 3.515 20 0 JHADRO COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c(Cl)nn2)c1 ZINC001164933553 721890059 /nfs/dbraw/zinc/89/00/59/721890059.db2.gz MRHTZLWOQWLIFY-VQTJNVASSA-N 1 0 451.949 3.565 20 0 JHADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1C ZINC001165038196 721918391 /nfs/dbraw/zinc/91/83/91/721918391.db2.gz LEEPHFJXBJXBDN-LJQANCHMSA-N 1 0 466.607 3.678 20 0 JHADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939041 721929444 /nfs/dbraw/zinc/92/94/44/721929444.db2.gz HRJUNWPSOZVKTE-FPLPWBNLSA-N 1 0 460.578 3.929 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1C ZINC001164938660 721930537 /nfs/dbraw/zinc/93/05/37/721930537.db2.gz DBHWUMCXNDRSEX-UHFFFAOYSA-N 1 0 484.000 3.588 20 0 JHADRO Fc1ccccc1-c1nc2ccn(Cc3ccc(N4CC[NH+](CCc5ccccn5)CC4)nn3)cc-2n1 ZINC001165053923 722009553 /nfs/dbraw/zinc/00/95/53/722009553.db2.gz PFBYZVWTUDGEMZ-UHFFFAOYSA-N 1 0 494.578 3.787 20 0 JHADRO Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(NC(=O)c2ccccc2)n1 ZINC001164961653 722061457 /nfs/dbraw/zinc/06/14/57/722061457.db2.gz NRALHNONMIGWQH-UHFFFAOYSA-N 1 0 472.593 3.551 20 0 JHADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982765 722105054 /nfs/dbraw/zinc/10/50/54/722105054.db2.gz OVOVISCJTPIRQO-DYESRHJHSA-N 1 0 459.928 3.950 20 0 JHADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980424 722108195 /nfs/dbraw/zinc/10/81/95/722108195.db2.gz RDWBQRFVTGJEOT-FGZHOGPDSA-N 1 0 490.011 3.650 20 0 JHADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973981 722123524 /nfs/dbraw/zinc/12/35/24/722123524.db2.gz IGSBVGAQEDPANM-RCZVLFRGSA-N 1 0 472.568 3.741 20 0 JHADRO c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164975219 722138347 /nfs/dbraw/zinc/13/83/47/722138347.db2.gz FTKBJTUUZCKLCB-RCZVLFRGSA-N 1 0 458.610 3.742 20 0 JHADRO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981721 722139865 /nfs/dbraw/zinc/13/98/65/722139865.db2.gz QEWJPVWPBVMQCR-WIOPSUGQSA-N 1 0 452.562 3.814 20 0 JHADRO Clc1cccc(COc2cncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164976242 722154179 /nfs/dbraw/zinc/15/41/79/722154179.db2.gz VSWYMMQFGGYQMI-GGAORHGYSA-N 1 0 465.985 3.831 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(F)ccc1Oc1ccc(Cl)nn1)CCC2 ZINC001165004521 722256375 /nfs/dbraw/zinc/25/63/75/722256375.db2.gz UAYYMPPBLSXWGV-UHFFFAOYSA-N 1 0 460.941 3.746 20 0 JHADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165003494 722256476 /nfs/dbraw/zinc/25/64/76/722256476.db2.gz FGKFDPUXDFNXDR-UHFFFAOYSA-N 1 0 485.702 3.835 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOC)CC[N@@H+]1CCOC ZINC001306621506 1069310111 /nfs/dbraw/zinc/31/01/11/1069310111.db2.gz XYKBLVGTRJLIEH-AZUAARDMSA-N 1 0 461.676 3.715 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(O)c2)CC[N@@H+]1CCOC ZINC001306621384 1069310154 /nfs/dbraw/zinc/31/01/54/1069310154.db2.gz BVSQEBAAIHUMEI-FQEVSTJZSA-N 1 0 471.005 3.685 20 0 JHADRO Cn1cc(Br)c(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1=O ZINC001311284837 1069316369 /nfs/dbraw/zinc/31/63/69/1069316369.db2.gz YNTBDXDTPNCIOS-QGZVFWFLSA-N 1 0 459.388 3.572 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC001306624877 1069319008 /nfs/dbraw/zinc/31/90/08/1069319008.db2.gz MTVPQHISRMMBFO-IRLDBZIGSA-N 1 0 462.038 3.811 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC[N@@H+]1CCOC ZINC001306626141 1069320889 /nfs/dbraw/zinc/32/08/89/1069320889.db2.gz CVIKFBHNMUWAOX-NHCUHLMSSA-N 1 0 490.693 3.567 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(F)c(F)c2)CC[N@@H+]1CCOC ZINC001306626435 1069321686 /nfs/dbraw/zinc/32/16/86/1069321686.db2.gz YHKAGQAQSZRKEI-SFTDATJTSA-N 1 0 477.600 3.630 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCOCC2)CC[N@@H+]1CCOC ZINC001306626995 1069323348 /nfs/dbraw/zinc/32/33/48/1069323348.db2.gz QDTHAOFVPGFKNC-QHCPKHFHSA-N 1 0 476.065 3.886 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCOCC2)CC[N@@H+]1CCOC ZINC001306626994 1069323502 /nfs/dbraw/zinc/32/35/02/1069323502.db2.gz QDTHAOFVPGFKNC-HSZRJFAPSA-N 1 0 476.065 3.886 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccccc2Cl)CC[N@@H+]1CCOC ZINC001306628423 1069326195 /nfs/dbraw/zinc/32/61/95/1069326195.db2.gz JMEAPEMNDIKGCR-QFIPXVFZSA-N 1 0 469.033 3.903 20 0 JHADRO COc1ccc([C@H](CNC(=O)N2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)[NH+](C)C)cc1OC ZINC001311346639 1069333104 /nfs/dbraw/zinc/33/31/04/1069333104.db2.gz AJSSYAXLBZEEEA-REWPJTCUSA-N 1 0 454.615 3.844 20 0 JHADRO C[C@@H]([NH2+]C1(CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CCCC1)c1ccccc1 ZINC001311347022 1069333700 /nfs/dbraw/zinc/33/37/00/1069333700.db2.gz CEDASXCMCWLJCX-RCZVLFRGSA-N 1 0 450.627 3.850 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N2CCN(c3ccc(F)c(OC)c3)CC2)[NH+]2CCCC2)cc1 ZINC001311347983 1069334290 /nfs/dbraw/zinc/33/42/90/1069334290.db2.gz WRULDPPYOWVGNU-HSZRJFAPSA-N 1 0 456.562 3.512 20 0 JHADRO CCC[C@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001306633302 1069336224 /nfs/dbraw/zinc/33/62/24/1069336224.db2.gz SGPWGAPBMDPEDN-VXKWHMMOSA-N 1 0 471.646 3.991 20 0 JHADRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC001311361726 1069345207 /nfs/dbraw/zinc/34/52/07/1069345207.db2.gz WEQGOHVYLWNRMF-WAOWUJCRSA-N 1 0 455.018 3.613 20 0 JHADRO CC(C)(C)CN(CCCO)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001311377797 1069350816 /nfs/dbraw/zinc/35/08/16/1069350816.db2.gz GHABULPPVDHTJV-UHFFFAOYSA-N 1 0 452.643 3.949 20 0 JHADRO CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001311369650 1069347751 /nfs/dbraw/zinc/34/77/51/1069347751.db2.gz HEELEUONTRNQGE-RXVVDRJESA-N 1 0 458.994 3.748 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[C@H]2OC)CC[N@@H+]1CCOC ZINC001306639861 1069350949 /nfs/dbraw/zinc/35/09/49/1069350949.db2.gz CZNJWTLDSFSJOL-MIZPHKNDSA-N 1 0 459.610 3.836 20 0 JHADRO CCCCCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[NH+](C)C)C(C)C ZINC001306638670 1069348967 /nfs/dbraw/zinc/34/89/67/1069348967.db2.gz KCHYUZNGEBQXLI-VQTJNVASSA-N 1 0 466.671 3.942 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)NC[C@@H](O)c1ccsc1 ZINC001311379135 1069353067 /nfs/dbraw/zinc/35/30/67/1069353067.db2.gz XFEOFXZNBUHECT-XMMPIXPASA-N 1 0 450.608 3.603 20 0 JHADRO CCCC(=O)Nc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC001311378241 1069351910 /nfs/dbraw/zinc/35/19/10/1069351910.db2.gz ZBKLZOMFRYIFTR-DNQXCXABSA-N 1 0 457.663 3.904 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001306645586 1069356810 /nfs/dbraw/zinc/35/68/10/1069356810.db2.gz KUNUVLNULCUFLF-WOJBJXKFSA-N 1 0 462.038 3.961 20 0 JHADRO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001311395418 1069360594 /nfs/dbraw/zinc/36/05/94/1069360594.db2.gz KAUCNDZBGWOPCR-SKPFHBQLSA-N 1 0 453.631 3.894 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCc2ccn(C)n2)CC[N@@H+]1CCOC ZINC001306647331 1069358708 /nfs/dbraw/zinc/35/87/08/1069358708.db2.gz NHWYLQYTAVPIPN-HXUWFJFHSA-N 1 0 472.037 3.512 20 0 JHADRO CC(C)[C@@H](CNC(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC001311392103 1069359014 /nfs/dbraw/zinc/35/90/14/1069359014.db2.gz JVKWNKFCMOCHAJ-IFMALSPDSA-N 1 0 454.453 3.798 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21)C1CCCCC1 ZINC001311397723 1069361031 /nfs/dbraw/zinc/36/10/31/1069361031.db2.gz SSDONNYNMFJVOH-FXAWDEMLSA-N 1 0 454.537 3.879 20 0 JHADRO C[C@H]1CCC[N@H+](CCNC(=O)NCCOc2ccc(Br)cc2C(F)(F)F)C1 ZINC001311399220 1069362299 /nfs/dbraw/zinc/36/22/99/1069362299.db2.gz CYOMCRNUSHGJFS-ZDUSSCGKSA-N 1 0 452.315 3.878 20 0 JHADRO CCCNC(=O)c1cccc(CNC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC001311408512 1069366764 /nfs/dbraw/zinc/36/67/64/1069366764.db2.gz VCFBMKNSEJZTNP-HXUWFJFHSA-N 1 0 452.599 3.526 20 0 JHADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC001311415717 1069367345 /nfs/dbraw/zinc/36/73/45/1069367345.db2.gz VLORRUHLKZAUCA-UHFFFAOYSA-N 1 0 459.418 3.824 20 0 JHADRO C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001311422640 1069369845 /nfs/dbraw/zinc/36/98/45/1069369845.db2.gz CJGFRTMHGBZFBD-KSFYIVLOSA-N 1 0 458.990 3.661 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001311424462 1069373444 /nfs/dbraw/zinc/37/34/44/1069373444.db2.gz TXJHVIRIYIHVFB-NRFANRHFSA-N 1 0 456.034 3.678 20 0 JHADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001311429889 1069375888 /nfs/dbraw/zinc/37/58/88/1069375888.db2.gz DYPHQJPANDDCIR-GBXCKJPGSA-N 1 0 457.640 3.991 20 0 JHADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)C1 ZINC001311433111 1069377562 /nfs/dbraw/zinc/37/75/62/1069377562.db2.gz LEKXOCYUEXANOO-RLBLXZPPSA-N 1 0 480.694 3.848 20 0 JHADRO CCCCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001306663504 1069386184 /nfs/dbraw/zinc/38/61/84/1069386184.db2.gz AMYTXPKDCQAHRG-UHFFFAOYSA-N 1 0 459.038 3.972 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001306665586 1069392363 /nfs/dbraw/zinc/39/23/63/1069392363.db2.gz OCVUQUQDYIODNE-JWQCQUIFSA-N 1 0 496.700 3.868 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311469672 1069393244 /nfs/dbraw/zinc/39/32/44/1069393244.db2.gz NPTDESPXCIQPBW-RPWUZVMVSA-N 1 0 452.599 3.569 20 0 JHADRO C[C@@H]1CCN(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001311482997 1069398511 /nfs/dbraw/zinc/39/85/11/1069398511.db2.gz VBBKXTSNSPVNSQ-HXUWFJFHSA-N 1 0 452.574 3.736 20 0 JHADRO O=C(NCc1ccc(COc2ccccc2)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001311486999 1069400608 /nfs/dbraw/zinc/40/06/08/1069400608.db2.gz GEWMMXITNYXTIW-AHKZPQOWSA-N 1 0 459.590 3.948 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cc2F)CC1 ZINC001306678220 1069403097 /nfs/dbraw/zinc/40/30/97/1069403097.db2.gz JZCKHJHXVYIJML-UHFFFAOYSA-N 1 0 457.573 3.953 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)OC)CC1 ZINC001306679271 1069404199 /nfs/dbraw/zinc/40/41/99/1069404199.db2.gz PVWOIJKXVUYOTL-IBGZPJMESA-N 1 0 457.619 3.700 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)N(C)C)CC1 ZINC001306679306 1069404385 /nfs/dbraw/zinc/40/43/85/1069404385.db2.gz QNQXTEHIZNKIOT-UHFFFAOYSA-N 1 0 479.629 3.637 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(O)c2)CC1 ZINC001306679232 1069404403 /nfs/dbraw/zinc/40/44/03/1069404403.db2.gz POOHGOXNUUUESF-UHFFFAOYSA-N 1 0 466.630 3.994 20 0 JHADRO COC(=O)c1cccc2c1OCCN(C(=O)NCc1ccc(C[N@@H+]3CCCC[C@H]3C)cc1)C2 ZINC001311495951 1069405670 /nfs/dbraw/zinc/40/56/70/1069405670.db2.gz USXAIXNTVXLTRF-LJQANCHMSA-N 1 0 451.567 3.952 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 ZINC001306679783 1069405813 /nfs/dbraw/zinc/40/58/13/1069405813.db2.gz KZKBUWOMZWXUJF-HSZRJFAPSA-N 1 0 468.646 3.737 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(CCN2CCOCC2)Cc2ccco2)cc1 ZINC001311496809 1069406323 /nfs/dbraw/zinc/40/63/23/1069406323.db2.gz XXHZMRZTTMTIPA-JOCHJYFZSA-N 1 0 454.615 3.698 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@H](C)O)cc2)CC1 ZINC001306679864 1069406586 /nfs/dbraw/zinc/40/65/86/1069406586.db2.gz UOGXBDVUXTZKMU-FQEVSTJZSA-N 1 0 465.646 3.729 20 0 JHADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(CCN2CCOCC2)Cc2ccco2)cc1 ZINC001311496812 1069407124 /nfs/dbraw/zinc/40/71/24/1069407124.db2.gz XXHZMRZTTMTIPA-QFIPXVFZSA-N 1 0 454.615 3.698 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001306680423 1069407130 /nfs/dbraw/zinc/40/71/30/1069407130.db2.gz XOAOHAKPKTZVLX-UHFFFAOYSA-N 1 0 485.706 3.824 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(NC(N)=O)cc2)CC1 ZINC001306680343 1069407230 /nfs/dbraw/zinc/40/72/30/1069407230.db2.gz WRNUSHCBODHCGI-UHFFFAOYSA-N 1 0 476.629 3.827 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NC[C@]3(O)CCC[C@H](C(F)(F)F)C3)cc2)C[C@H](C)O1 ZINC001311498753 1069407488 /nfs/dbraw/zinc/40/74/88/1069407488.db2.gz WONDKCMWKXQKAL-AXRVMRSRSA-N 1 0 457.537 3.579 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001306680843 1069408411 /nfs/dbraw/zinc/40/84/11/1069408411.db2.gz UBZBOKIZVMCJJQ-QHCPKHFHSA-N 1 0 474.694 3.523 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N3CCN(c4c(F)cccc4F)CC3)cc2)C[C@H](C)O1 ZINC001311498148 1069407715 /nfs/dbraw/zinc/40/77/15/1069407715.db2.gz PHPHLASPXOQHRW-KDURUIRLSA-N 1 0 458.553 3.606 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 ZINC001306681507 1069410646 /nfs/dbraw/zinc/41/06/46/1069410646.db2.gz MERNYFFUVYNLNQ-IBGZPJMESA-N 1 0 459.982 3.600 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCCCCC1 ZINC001306682061 1069412390 /nfs/dbraw/zinc/41/23/90/1069412390.db2.gz AVIQIGQXWCCYMS-UHFFFAOYSA-N 1 0 476.691 3.698 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001306680902 1069409281 /nfs/dbraw/zinc/40/92/81/1069409281.db2.gz QMYGMEDNOMFCIV-HXUWFJFHSA-N 1 0 494.105 3.982 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001306681132 1069409753 /nfs/dbraw/zinc/40/97/53/1069409753.db2.gz XAGFWYAZLHGTFI-UHFFFAOYSA-N 1 0 497.713 3.638 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001306683394 1069416528 /nfs/dbraw/zinc/41/65/28/1069416528.db2.gz XKXLBGBAEKNXKJ-HXUWFJFHSA-N 1 0 497.463 3.532 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001306683271 1069416632 /nfs/dbraw/zinc/41/66/32/1069416632.db2.gz QOSHCIDDYLCHEK-GOSISDBHSA-N 1 0 487.450 3.873 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2noc(C)n2)C1 ZINC001306682380 1069413252 /nfs/dbraw/zinc/41/32/52/1069413252.db2.gz FKKBQWKABLAARX-LJQANCHMSA-N 1 0 459.982 3.600 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001306682984 1069415270 /nfs/dbraw/zinc/41/52/70/1069415270.db2.gz SHDXMQPWMFNKPY-HSZRJFAPSA-N 1 0 489.462 3.607 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306683636 1069418031 /nfs/dbraw/zinc/41/80/31/1069418031.db2.gz YSYCKZDYMNWASU-OAQYLSRUSA-N 1 0 463.630 3.530 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001306683932 1069418572 /nfs/dbraw/zinc/41/85/72/1069418572.db2.gz GGBJYGJRHGIPJX-UHFFFAOYSA-N 1 0 478.645 3.574 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2c[nH]c3ccccc32)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001306684026 1069418715 /nfs/dbraw/zinc/41/87/15/1069418715.db2.gz FSENVUDHYVYQGT-UHFFFAOYSA-N 1 0 465.646 3.853 20 0 JHADRO CCCC[N@H+](C)CCn1c(C2CCC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001306684282 1069419247 /nfs/dbraw/zinc/41/92/47/1069419247.db2.gz KCZWNKUIRKPEPV-UHFFFAOYSA-N 1 0 459.683 3.878 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001306684821 1069419922 /nfs/dbraw/zinc/41/99/22/1069419922.db2.gz UNNGJQOJQLYDOX-UHFFFAOYSA-N 1 0 455.632 3.571 20 0 JHADRO CCCC[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001306685577 1069421395 /nfs/dbraw/zinc/42/13/95/1069421395.db2.gz GYCOHBQUBDEXMX-OAQYLSRUSA-N 1 0 492.709 3.986 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](CC)C1 ZINC001306685934 1069421858 /nfs/dbraw/zinc/42/18/58/1069421858.db2.gz NMQJLDYMJCOIMK-RTWAWAEBSA-N 1 0 478.682 3.740 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCC1 ZINC001306686858 1069423175 /nfs/dbraw/zinc/42/31/75/1069423175.db2.gz YGQGGEOYEDPHJW-NRFANRHFSA-N 1 0 478.682 3.945 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001306687404 1069423863 /nfs/dbraw/zinc/42/38/63/1069423863.db2.gz GVDYKBXQQNVHTN-BOCITWAFSA-N 1 0 477.694 3.703 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001306687479 1069424456 /nfs/dbraw/zinc/42/44/56/1069424456.db2.gz JMXMNUYVXNFYFN-UHFFFAOYSA-N 1 0 485.677 3.528 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001306688535 1069425911 /nfs/dbraw/zinc/42/59/11/1069425911.db2.gz PRVYBAYWDRRMRM-QHWMMSMNSA-N 1 0 485.673 3.979 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001306688601 1069426004 /nfs/dbraw/zinc/42/60/04/1069426004.db2.gz QNRQVULGWCFJIV-UHFFFAOYSA-N 1 0 497.688 3.544 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001306689426 1069426515 /nfs/dbraw/zinc/42/65/15/1069426515.db2.gz WTWFPVGMGNQENB-UHFFFAOYSA-N 1 0 473.065 3.703 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001306689404 1069426763 /nfs/dbraw/zinc/42/67/63/1069426763.db2.gz WFJJOLWFZLTSGC-QFIPXVFZSA-N 1 0 468.568 3.526 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1)CC(C)C ZINC001311535596 1069428493 /nfs/dbraw/zinc/42/84/93/1069428493.db2.gz YULGORRUSAKPNZ-HKUYNNGSSA-N 1 0 458.525 3.524 20 0 JHADRO CCCCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H]1CC[N@H+](CC)C1 ZINC001306692545 1069429636 /nfs/dbraw/zinc/42/96/36/1069429636.db2.gz LJVDCGFCPCBHTP-IBGZPJMESA-N 1 0 451.619 3.643 20 0 JHADRO CCC(CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(Br)cc1OC)[NH+]1CCOCC1 ZINC001311537175 1069429815 /nfs/dbraw/zinc/42/98/15/1069429815.db2.gz ZPEJEZTWKFEKIK-KXBFYZLASA-N 1 0 456.425 3.955 20 0 JHADRO CCC(CC)[C@@H](CNC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCOCC1)[NH+]1CCCC1 ZINC001311538345 1069430284 /nfs/dbraw/zinc/43/02/84/1069430284.db2.gz WJIPBRZCBVAVLL-HXUWFJFHSA-N 1 0 454.656 3.602 20 0 JHADRO COC(=O)c1cc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)ccc1OC ZINC001311542034 1069431913 /nfs/dbraw/zinc/43/19/13/1069431913.db2.gz UAEJWIYYUSFFPP-SFHVURJKSA-N 1 0 454.354 3.891 20 0 JHADRO C[C@H]1C[C@H](CCNC(=O)NCc2ccccc2CN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC001311546881 1069433029 /nfs/dbraw/zinc/43/30/29/1069433029.db2.gz YBBIXARGWPAKDD-UPVQGACJSA-N 1 0 450.627 3.619 20 0 JHADRO CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001306701937 1069437504 /nfs/dbraw/zinc/43/75/04/1069437504.db2.gz CQPWAUPARMKBCL-UHFFFAOYSA-N 1 0 470.662 3.757 20 0 JHADRO Cc1ccc([C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001311551577 1069435556 /nfs/dbraw/zinc/43/55/56/1069435556.db2.gz QPZXSMDPQWGYSP-XMMPIXPASA-N 1 0 457.640 3.909 20 0 JHADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCc1cc(F)c(C(F)(F)F)cc1F ZINC001311574290 1069445126 /nfs/dbraw/zinc/44/51/26/1069445126.db2.gz ZKTDJEMKEBIBFZ-UHFFFAOYSA-N 1 0 456.459 3.601 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc(F)c1 ZINC001311573913 1069445156 /nfs/dbraw/zinc/44/51/56/1069445156.db2.gz UEFJFCJFGVMRLX-YLJYHZDGSA-N 1 0 454.468 3.905 20 0 JHADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001311574057 1069445303 /nfs/dbraw/zinc/44/53/03/1069445303.db2.gz ARRJECXTEBGBPW-ZWKOTPCHSA-N 1 0 450.967 3.782 20 0 JHADRO CC1CC[NH+]([C@@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)c2cccs2)CC1 ZINC001311575805 1069445608 /nfs/dbraw/zinc/44/56/08/1069445608.db2.gz YLYPPBCRJDXBGT-VXKWHMMOSA-N 1 0 454.640 3.964 20 0 JHADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311578736 1069447484 /nfs/dbraw/zinc/44/74/84/1069447484.db2.gz SZACYRNSZNZAOJ-HXUWFJFHSA-N 1 0 454.372 3.709 20 0 JHADRO COc1cccc([C@@H](CNC(=O)N2CCCN(c3ccccc3OC)CC2)[NH+]2CCCC2)c1 ZINC001311579836 1069447512 /nfs/dbraw/zinc/44/75/12/1069447512.db2.gz HKMXLXIJHSUQBS-XMMPIXPASA-N 1 0 452.599 3.763 20 0 JHADRO CC[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001311577249 1069446873 /nfs/dbraw/zinc/44/68/73/1069446873.db2.gz SEJWNHNBOFFOBA-YTFSRNRJSA-N 1 0 456.656 3.864 20 0 JHADRO CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001306708925 1069443179 /nfs/dbraw/zinc/44/31/79/1069443179.db2.gz OGFGCHJXNDJXRG-HXUWFJFHSA-N 1 0 461.054 3.630 20 0 JHADRO COc1cccc([C@H](CNC(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)[NH+](C)C)c1 ZINC001311571330 1069443376 /nfs/dbraw/zinc/44/33/76/1069443376.db2.gz PNYGMJMBPMXNNV-PNTFMKQHSA-N 1 0 455.599 3.923 20 0 JHADRO COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC001311572368 1069443960 /nfs/dbraw/zinc/44/39/60/1069443960.db2.gz PBZVMKODMPYNQW-LJQANCHMSA-N 1 0 450.942 3.727 20 0 JHADRO O=C(/C=C/c1ccccc1)NCCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001311580262 1069448268 /nfs/dbraw/zinc/44/82/68/1069448268.db2.gz KIAZJTVGCSGBHF-ZVQQDINOSA-N 1 0 455.002 3.996 20 0 JHADRO O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001311582893 1069449909 /nfs/dbraw/zinc/44/99/09/1069449909.db2.gz DWZGXOBSNSLAES-HXUWFJFHSA-N 1 0 452.665 3.581 20 0 JHADRO CCCCn1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[NH+](C(C)C)CC2)c(C)n1 ZINC001306718113 1069450511 /nfs/dbraw/zinc/45/05/11/1069450511.db2.gz OYFRQWNATOMRLZ-UHFFFAOYSA-N 1 0 481.645 3.846 20 0 JHADRO C[C@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001311583989 1069450602 /nfs/dbraw/zinc/45/06/02/1069450602.db2.gz NWGUYOHLQPBKFF-RBUKOAKNSA-N 1 0 454.681 3.540 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001306720217 1069454396 /nfs/dbraw/zinc/45/43/96/1069454396.db2.gz HJFCDNJJZRHGAT-MOPGFXCFSA-N 1 0 488.599 3.619 20 0 JHADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001311595549 1069456783 /nfs/dbraw/zinc/45/67/83/1069456783.db2.gz UGFMHHSQPNBKNZ-UHFFFAOYSA-N 1 0 455.002 3.880 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306721638 1069458465 /nfs/dbraw/zinc/45/84/65/1069458465.db2.gz CUGCUPXFSARCQB-TZIWHRDSSA-N 1 0 485.629 3.616 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(=O)NC)CC1 ZINC001306722572 1069461193 /nfs/dbraw/zinc/46/11/93/1069461193.db2.gz JAWZWYFCECYYIU-QFIPXVFZSA-N 1 0 467.662 3.656 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(CC)C1 ZINC001306723147 1069462451 /nfs/dbraw/zinc/46/24/51/1069462451.db2.gz QHTUBOYROAZLTE-CJFMBICVSA-N 1 0 469.634 3.585 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001306723232 1069462890 /nfs/dbraw/zinc/46/28/90/1069462890.db2.gz PKONEJLQMGKKMP-RXFWQSSRSA-N 1 0 468.646 3.571 20 0 JHADRO CC[C@H](NC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)NC ZINC001311611131 1069463013 /nfs/dbraw/zinc/46/30/13/1069463013.db2.gz ISKXJXIAYSMABQ-GMAHTHKFSA-N 1 0 452.599 3.569 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306725710 1069467030 /nfs/dbraw/zinc/46/70/30/1069467030.db2.gz GUDNFUDNOSXHRB-FDFHNCONSA-N 1 0 490.693 3.930 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001306726002 1069467892 /nfs/dbraw/zinc/46/78/92/1069467892.db2.gz JBUIGSCEVZUTAV-XMSQKQJNSA-N 1 0 490.599 3.790 20 0 JHADRO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cc2c(cc1Br)OCCO2 ZINC001311617816 1069469521 /nfs/dbraw/zinc/46/95/21/1069469521.db2.gz QNHZPSAPEIHNKJ-HOTGVXAUSA-N 1 0 452.393 3.941 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F ZINC001306726488 1069470037 /nfs/dbraw/zinc/47/00/37/1069470037.db2.gz NELVPXUARWADAJ-TZIWHRDSSA-N 1 0 495.640 3.749 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CC[N@H+](CCC)C2)C1 ZINC001306727152 1069471658 /nfs/dbraw/zinc/47/16/58/1069471658.db2.gz AWTPFLAEJCXFGK-AFXVXQJMSA-N 1 0 474.694 3.773 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001306727958 1069473749 /nfs/dbraw/zinc/47/37/49/1069473749.db2.gz SJUWDMRTNDTGSR-BJKOFHAPSA-N 1 0 481.689 3.660 20 0 JHADRO CC(C)n1ncc2c1[C@@H](NC(=O)NCCCC[NH+]1CCN(Cc3ccccc3)CC1)CCC2 ZINC001311630324 1069478833 /nfs/dbraw/zinc/47/88/33/1069478833.db2.gz OBIYLERQYIEDBE-DEOSSOPVSA-N 1 0 452.647 3.739 20 0 JHADRO CCCOc1ccccc1Oc1ncccc1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001311629251 1069477679 /nfs/dbraw/zinc/47/76/79/1069477679.db2.gz WAJGOMPHCMNYIV-IBGZPJMESA-N 1 0 456.587 3.649 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)C)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306730539 1069481974 /nfs/dbraw/zinc/48/19/74/1069481974.db2.gz JZMZKKFKLRTMRI-LEWJYISDSA-N 1 0 478.751 3.825 20 0 JHADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 ZINC001311637978 1069483423 /nfs/dbraw/zinc/48/34/23/1069483423.db2.gz VDNSEWVKFFUQFR-UIOOFZCWSA-N 1 0 450.627 3.847 20 0 JHADRO C[C@H](CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C[NH+]1CCCCC1 ZINC001311639322 1069484875 /nfs/dbraw/zinc/48/48/75/1069484875.db2.gz YXLSMAODTZIOJH-FMKPAKJESA-N 1 0 451.247 3.646 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@@H](C)C1 ZINC001306731113 1069484969 /nfs/dbraw/zinc/48/49/69/1069484969.db2.gz PIDHWGDQBZXAPV-VQTJNVASSA-N 1 0 474.675 3.539 20 0 JHADRO O=C(NCC1(c2ccc(Br)cc2)CCC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001311653452 1069490287 /nfs/dbraw/zinc/49/02/87/1069490287.db2.gz XMJWRDPNCIQDLA-HXUWFJFHSA-N 1 0 450.421 3.813 20 0 JHADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)N[C@H](C)COc3ccc(F)cc3)CC2)c1C ZINC001311650416 1069488761 /nfs/dbraw/zinc/48/87/61/1069488761.db2.gz BHUIVYALTJNPCX-GOSISDBHSA-N 1 0 458.578 3.919 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306732957 1069491634 /nfs/dbraw/zinc/49/16/34/1069491634.db2.gz XAIFDTMIIQPNPL-UXHICEINSA-N 1 0 473.593 3.650 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001306733247 1069491682 /nfs/dbraw/zinc/49/16/82/1069491682.db2.gz MGPKZGAPAQDHPA-FDFHNCONSA-N 1 0 469.678 3.915 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001306733305 1069492712 /nfs/dbraw/zinc/49/27/12/1069492712.db2.gz NHTBBNXYJXJGIW-FUPPJEDESA-N 1 0 482.673 3.817 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 ZINC001306733502 1069493253 /nfs/dbraw/zinc/49/32/53/1069493253.db2.gz ZBHISBWHMDRODX-BKSPAHHJSA-N 1 0 463.667 3.589 20 0 JHADRO CC[C@@H]1CN(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001311667307 1069495751 /nfs/dbraw/zinc/49/57/51/1069495751.db2.gz SAGRVACQBIMPLP-ATIYNZHBSA-N 1 0 450.627 3.713 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[NH+](C)C)C1 ZINC001306734534 1069496002 /nfs/dbraw/zinc/49/60/02/1069496002.db2.gz DBSYYJIZXZLSNK-IAGOWNOFSA-N 1 0 465.017 3.820 20 0 JHADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC001311671810 1069497898 /nfs/dbraw/zinc/49/78/98/1069497898.db2.gz GNGVPFRHZCFOSX-JTJHWIPRSA-N 1 0 458.651 3.794 20 0 JHADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC001311671811 1069497960 /nfs/dbraw/zinc/49/79/60/1069497960.db2.gz GNGVPFRHZCFOSX-RCLSDMTESA-N 1 0 458.651 3.794 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccn3C)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001306735398 1069499947 /nfs/dbraw/zinc/49/99/47/1069499947.db2.gz QSGTWSZZHZAWTE-YTFSRNRJSA-N 1 0 483.705 3.927 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc([C@H](C)CC)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306737422 1069506878 /nfs/dbraw/zinc/50/68/78/1069506878.db2.gz MGMFBAZQLBSOGO-UXHICEINSA-N 1 0 464.724 3.752 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001306738320 1069509156 /nfs/dbraw/zinc/50/91/56/1069509156.db2.gz RYAUCNFQTXEGDY-IRLDBZIGSA-N 1 0 468.646 3.571 20 0 JHADRO COc1ccc(Cl)cc1CN1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001311703008 1069510671 /nfs/dbraw/zinc/51/06/71/1069510671.db2.gz CMVBTZASJQZDSW-KDURUIRLSA-N 1 0 451.055 3.932 20 0 JHADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)C1 ZINC001311714688 1069515469 /nfs/dbraw/zinc/51/54/69/1069515469.db2.gz SMZNSOWKUIHIQX-HYBUGGRVSA-N 1 0 450.583 3.922 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)NCC1(C2(O)CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001311719657 1069518503 /nfs/dbraw/zinc/51/85/03/1069518503.db2.gz XTTZALFZNYUHOH-LJQANCHMSA-N 1 0 457.537 3.709 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@H]1c1ccc(O)cc1 ZINC001311725880 1069523047 /nfs/dbraw/zinc/52/30/47/1069523047.db2.gz KTNFCJJLDOBMFZ-LOSJGSFVSA-N 1 0 465.594 3.866 20 0 JHADRO C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001311726483 1069523084 /nfs/dbraw/zinc/52/30/84/1069523084.db2.gz HALJXPFRMNLFLA-YADHBBJMSA-N 1 0 453.583 3.997 20 0 JHADRO C[C@H](CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)[NH+]1CCC(C)CC1 ZINC001311742463 1069529489 /nfs/dbraw/zinc/52/94/89/1069529489.db2.gz MHGFIBLDKREDIG-CABCVRRESA-N 1 0 450.381 3.980 20 0 JHADRO C[C@@H]([NH2+]C1(CNC(=O)NCC(C)(C)c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1 ZINC001311730277 1069525177 /nfs/dbraw/zinc/52/51/77/1069525177.db2.gz IWVCOTBBZABDHY-LJQANCHMSA-N 1 0 453.583 3.892 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001306746497 1069532144 /nfs/dbraw/zinc/53/21/44/1069532144.db2.gz PABIFPDULNMBCU-JTHBVZDNSA-N 1 0 474.694 3.569 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccco1 ZINC001311751061 1069532649 /nfs/dbraw/zinc/53/26/49/1069532649.db2.gz YTIFCMZJSCOZQH-RCCFBDPRSA-N 1 0 452.596 3.722 20 0 JHADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001311765751 1069538232 /nfs/dbraw/zinc/53/82/32/1069538232.db2.gz OQWLFLVESZHNCF-FQEVSTJZSA-N 1 0 456.537 3.946 20 0 JHADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC001311765016 1069538264 /nfs/dbraw/zinc/53/82/64/1069538264.db2.gz JHZWUHBSONDUKB-JOCHJYFZSA-N 1 0 456.537 3.946 20 0 JHADRO CCCN(C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001311761902 1069536827 /nfs/dbraw/zinc/53/68/27/1069536827.db2.gz VMPBBVNHRJETNI-DHIUTWEWSA-N 1 0 457.663 3.883 20 0 JHADRO CCCCOc1ncccc1Cn1c(CC)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001306756449 1069554617 /nfs/dbraw/zinc/55/46/17/1069554617.db2.gz YOVHLCNIFGNJOP-OYRHEFFESA-N 1 0 470.662 3.788 20 0 JHADRO COc1cc(CNC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c(Br)cc1O ZINC001311809864 1069554577 /nfs/dbraw/zinc/55/45/77/1069554577.db2.gz OBEMKQUUURJIBT-MRXNPFEDSA-N 1 0 452.349 3.701 20 0 JHADRO C[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1noc(-c2ccccc2)n1 ZINC001311819010 1069558494 /nfs/dbraw/zinc/55/84/94/1069558494.db2.gz CHQMNOMPFCAXMN-DLBZAZTESA-N 1 0 452.534 3.749 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC2(O)CCC2)C1 ZINC001306778682 1069573947 /nfs/dbraw/zinc/57/39/47/1069573947.db2.gz ASPZOSHFOUDDJN-KRWDZBQOSA-N 1 0 492.462 3.799 20 0 JHADRO CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001306775518 1069571940 /nfs/dbraw/zinc/57/19/40/1069571940.db2.gz NCXGDTUIKZUZJN-LJQANCHMSA-N 1 0 464.655 3.555 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCC2)C1 ZINC001306778699 1069574320 /nfs/dbraw/zinc/57/43/20/1069574320.db2.gz AYGXQACTXCDOTR-KRWDZBQOSA-N 1 0 479.467 3.899 20 0 JHADRO O=C(NCc1ccc(Oc2cccc(F)c2)nc1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001311838975 1069573164 /nfs/dbraw/zinc/57/31/64/1069573164.db2.gz SZVFIMRIEXWOLR-JOCHJYFZSA-N 1 0 450.514 3.579 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)OC)C1 ZINC001306778998 1069574856 /nfs/dbraw/zinc/57/48/56/1069574856.db2.gz CODSLJUXZJENTN-SJORKVTESA-N 1 0 450.425 3.911 20 0 JHADRO Cc1csc([C@H](NC(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C2CC2)n1 ZINC001311849489 1069579050 /nfs/dbraw/zinc/57/90/50/1069579050.db2.gz JWYAGCCLVLDZGS-JOCHJYFZSA-N 1 0 458.628 3.892 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(Cl)cc2F)C1 ZINC001306779847 1069575816 /nfs/dbraw/zinc/57/58/16/1069575816.db2.gz JNQSFJHNZMALSM-HOYKHHGWSA-N 1 0 480.028 3.939 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001306780880 1069578360 /nfs/dbraw/zinc/57/83/60/1069578360.db2.gz GBWWUHCBOHKGHV-SFTDATJTSA-N 1 0 478.682 3.597 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCCC(=O)N(C)C)C1 ZINC001306783498 1069582524 /nfs/dbraw/zinc/58/25/24/1069582524.db2.gz IAXKMBCBCVPMQY-SFHVURJKSA-N 1 0 491.478 3.744 20 0 JHADRO 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CC1(C)[C@@H](c2cccc(C(F)(F)F)c2)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001312006780 1069665280 /nfs/dbraw/zinc/66/52/80/1069665280.db2.gz AWFXXAVSXRDZLG-IEBWSBKVSA-N 1 0 454.537 3.570 20 0 JHADRO COc1ccc([C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc2OC)cc1 ZINC001312011017 1069668196 /nfs/dbraw/zinc/66/81/96/1069668196.db2.gz DMXOSRGPIPWZLR-WIOPSUGQSA-N 1 0 453.583 3.736 20 0 JHADRO CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)Cc1ccc(Cl)cc1Cl ZINC001312011697 1069669032 /nfs/dbraw/zinc/66/90/32/1069669032.db2.gz ZKONMFHZQJVXAO-MSOLQXFVSA-N 1 0 457.446 3.695 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001312013515 1069670247 /nfs/dbraw/zinc/67/02/47/1069670247.db2.gz UTWJYCSRJFVRFP-VXNXHJTFSA-N 1 0 451.567 3.517 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CC2(O)CCCCC2)cc1OC ZINC001314168647 1069673184 /nfs/dbraw/zinc/67/31/84/1069673184.db2.gz QVJHJWGYCQVMPE-WOJBJXKFSA-N 1 0 471.646 3.967 20 0 JHADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001306890083 1069675082 /nfs/dbraw/zinc/67/50/82/1069675082.db2.gz NAUXNTOHKIIDDV-AREMUKBSSA-N 1 0 451.611 3.707 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001314169169 1069675587 /nfs/dbraw/zinc/67/55/87/1069675587.db2.gz BMVGMVNISMNMKM-FQEVSTJZSA-N 1 0 471.646 3.682 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(C)CC3)n2C[C@H](C)N2CC[NH+](CC)CC2)cc1OC ZINC001314170660 1069681712 /nfs/dbraw/zinc/68/17/12/1069681712.db2.gz RGILQXUXZRETQJ-NRFANRHFSA-N 1 0 470.662 3.615 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)C[C@H]21 ZINC001312026284 1069679535 /nfs/dbraw/zinc/67/95/35/1069679535.db2.gz RYBXFBZQUJMOOC-SSGKUCQKSA-N 1 0 456.631 3.986 20 0 JHADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)NCc2cc(F)cnc2Cl)CC1 ZINC001312026197 1069679578 /nfs/dbraw/zinc/67/95/78/1069679578.db2.gz NWXHYRIOHWJRIX-UHFFFAOYSA-N 1 0 459.875 3.644 20 0 JHADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001312038513 1069687411 /nfs/dbraw/zinc/68/74/11/1069687411.db2.gz WQCDBWJILRHPHJ-OALUTQOASA-N 1 0 450.421 3.524 20 0 JHADRO CC(C)Cc1ccc(C(=O)C2CCN(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)cc1 ZINC001312038846 1069687663 /nfs/dbraw/zinc/68/76/63/1069687663.db2.gz YOJHBOAUGXVUFT-QFIPXVFZSA-N 1 0 455.643 3.990 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCc2nccs2)cc1OC ZINC001314171741 1069686658 /nfs/dbraw/zinc/68/66/58/1069686658.db2.gz AIWXCCNLCXQXBM-UHFFFAOYSA-N 1 0 470.643 3.972 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@H](C(=O)OC)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001314171882 1069688080 /nfs/dbraw/zinc/68/80/80/1069688080.db2.gz JZTYWEMJEVEWOO-IRLDBZIGSA-N 1 0 499.656 3.862 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@@H](C(=O)OC)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001314171884 1069688136 /nfs/dbraw/zinc/68/81/36/1069688136.db2.gz JZTYWEMJEVEWOO-RBBKRZOGSA-N 1 0 499.656 3.862 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CC(C)(C)OC)cc1OC ZINC001314172440 1069689277 /nfs/dbraw/zinc/68/92/77/1069689277.db2.gz CIGXRRGFFVBIAE-HXUWFJFHSA-N 1 0 457.619 3.842 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@H](C)N2CC[NH+](CC)CC2)cc1OC ZINC001314172425 1069689398 /nfs/dbraw/zinc/68/93/98/1069689398.db2.gz HOYWBPFWTVZFGN-JTHBVZDNSA-N 1 0 484.689 3.861 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@@H](CNC(C)=O)C3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1OC ZINC001314172483 1069689941 /nfs/dbraw/zinc/68/99/41/1069689941.db2.gz DAXXARVITTYPTJ-GMAHTHKFSA-N 1 0 498.672 3.579 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@@H](COCc2ccccc2)c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001312044860 1069690225 /nfs/dbraw/zinc/69/02/25/1069690225.db2.gz NFHZNZLPBQIJGB-RZFJZAQRSA-N 1 0 450.627 3.612 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001314174356 1069697450 /nfs/dbraw/zinc/69/74/50/1069697450.db2.gz QZEVFEVJDCMEQT-UHFFFAOYSA-N 1 0 498.672 3.676 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@@H](C(=O)OC)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1OC ZINC001314173603 1069694297 /nfs/dbraw/zinc/69/42/97/1069694297.db2.gz SOOUZCNCQULSCK-UXHICEINSA-N 1 0 497.596 3.638 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001307004397 1069699815 /nfs/dbraw/zinc/69/98/15/1069699815.db2.gz CFRSOOMIHFFDIC-OAQYLSRUSA-N 1 0 477.657 3.981 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCSC[C@H]1C ZINC001307004973 1069700275 /nfs/dbraw/zinc/70/02/75/1069700275.db2.gz KTMFYCGZLPQHIN-LJQANCHMSA-N 1 0 483.686 3.646 20 0 JHADRO CCCN(CCC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001307005269 1069700798 /nfs/dbraw/zinc/70/07/98/1069700798.db2.gz MCQSQLFYKKEVMW-ROUUACIJSA-N 1 0 460.623 3.520 20 0 JHADRO CCCN(CCC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001307008845 1069705098 /nfs/dbraw/zinc/70/50/98/1069705098.db2.gz NWWLTUZPAIIFBP-LEWJYISDSA-N 1 0 478.682 3.945 20 0 JHADRO CCCN(CCC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001307008847 1069705155 /nfs/dbraw/zinc/70/51/55/1069705155.db2.gz NWWLTUZPAIIFBP-RTWAWAEBSA-N 1 0 478.682 3.945 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC001314177751 1069712446 /nfs/dbraw/zinc/71/24/46/1069712446.db2.gz AIGWBXSPSLVBSQ-WZONZLPQSA-N 1 0 457.619 3.696 20 0 JHADRO CCC[NH+](CCC)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001307010805 1069710478 /nfs/dbraw/zinc/71/04/78/1069710478.db2.gz YXVOQRXEDAAMPN-LEWJYISDSA-N 1 0 478.682 3.740 20 0 JHADRO C[C@@]1(NC(=O)NCCCOC2CCOCC2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001312082128 1069711699 /nfs/dbraw/zinc/71/16/99/1069711699.db2.gz SJNOHWYKTBOUQJ-AHKZPQOWSA-N 1 0 451.611 3.930 20 0 JHADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC001312095389 1069717809 /nfs/dbraw/zinc/71/78/09/1069717809.db2.gz ONSOTZUWHLNBPC-MRXNPFEDSA-N 1 0 457.482 3.645 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H](C)[NH+](CC)CC)cc1OC ZINC001314178865 1069716772 /nfs/dbraw/zinc/71/67/72/1069716772.db2.gz GXLRLHFPMHKVBN-OXQOHEQNSA-N 1 0 485.551 3.850 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCNC(=O)[C@H]3CC)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001314179851 1069720261 /nfs/dbraw/zinc/72/02/61/1069720261.db2.gz URNHQNDITCGCLA-TZIWHRDSSA-N 1 0 498.672 3.578 20 0 JHADRO CC[NH+]1CCC(CCNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001312107671 1069723698 /nfs/dbraw/zinc/72/36/98/1069723698.db2.gz OUXFIWMLZROJRK-IRXDYDNUSA-N 1 0 450.546 3.596 20 0 JHADRO CCOc1ccc(-c2nnc(Nc3cnn(C)c3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC001314181078 1069724641 /nfs/dbraw/zinc/72/46/41/1069724641.db2.gz WHAYGLUBXKXTPV-SFHVURJKSA-N 1 0 453.591 3.952 20 0 JHADRO CCC(CC)[NH2+]CCNC(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001312119257 1069731021 /nfs/dbraw/zinc/73/10/21/1069731021.db2.gz NQDQLQNSPFQVKM-OAQYLSRUSA-N 1 0 452.020 3.910 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001314183069 1069731220 /nfs/dbraw/zinc/73/12/20/1069731220.db2.gz PMISWPRHQYATGK-QFIPXVFZSA-N 1 0 498.672 3.678 20 0 JHADRO CCOc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCCCC2)cc1OC ZINC001314183534 1069732971 /nfs/dbraw/zinc/73/29/71/1069732971.db2.gz ILAUZYLYELCVGQ-OAQYLSRUSA-N 1 0 457.619 3.702 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCCC[C@@H](SC)C2)C1 ZINC001307030121 1069737869 /nfs/dbraw/zinc/73/78/69/1069737869.db2.gz UVSQDRPQSDZPHF-AZUAARDMSA-N 1 0 450.697 3.650 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(c3cccs3)CC2)CC1 ZINC001307029030 1069736414 /nfs/dbraw/zinc/73/64/14/1069736414.db2.gz HAARWEOKFSQIGW-UHFFFAOYSA-N 1 0 487.718 3.707 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@@H](C)O[C@@H](c3ccccc3)C2)C1 ZINC001307029046 1069736522 /nfs/dbraw/zinc/73/65/22/1069736522.db2.gz HEOBURARFCKPCD-ZFGGDYGUSA-N 1 0 482.673 3.895 20 0 JHADRO CCc1ccc([C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001312129762 1069736746 /nfs/dbraw/zinc/73/67/46/1069736746.db2.gz JUBSAPXLTYKEHA-UPVQGACJSA-N 1 0 457.640 3.866 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@@H](OCC)C2)C1 ZINC001307030294 1069738541 /nfs/dbraw/zinc/73/85/41/1069738541.db2.gz ACXJGMDUNGHZBV-TZIWHRDSSA-N 1 0 457.619 3.700 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@@H](OCC)C2)C1 ZINC001307030293 1069738692 /nfs/dbraw/zinc/73/86/92/1069738692.db2.gz ACXJGMDUNGHZBV-PZJWPPBQSA-N 1 0 457.619 3.700 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H](CC)c3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001307031124 1069740658 /nfs/dbraw/zinc/74/06/58/1069740658.db2.gz CTYVQQSLJIGPNQ-XZOQPEGZSA-N 1 0 473.687 3.565 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@H](COC)O[C@@H](C)C2)C1 ZINC001307031671 1069741526 /nfs/dbraw/zinc/74/15/26/1069741526.db2.gz MTMXNRDQESQMRM-CMKODMSKSA-N 1 0 478.037 3.579 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(OC)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001307033221 1069747643 /nfs/dbraw/zinc/74/76/43/1069747643.db2.gz JWARDIVTMUPZGT-UHFFFAOYSA-N 1 0 481.563 3.969 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)C1 ZINC001307032637 1069744372 /nfs/dbraw/zinc/74/43/72/1069744372.db2.gz UWLPEQDXMMNHIJ-VQTJNVASSA-N 1 0 488.080 3.714 20 0 JHADRO CCOc1ccc(CN2CCN(c3nnc([C@@H](C)CC)n3C[C@]3([NH+](C)C)CCSC3)CC2)cc1 ZINC001314189143 1069746558 /nfs/dbraw/zinc/74/65/58/1069746558.db2.gz QMYMWCJGZHSRCN-HFZDXXHNSA-N 1 0 486.730 3.950 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC=C(C)CC2)C1 ZINC001307034657 1069751023 /nfs/dbraw/zinc/75/10/23/1069751023.db2.gz IFSDJJWXRAGRQZ-FQEVSTJZSA-N 1 0 457.022 3.750 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307035258 1069752666 /nfs/dbraw/zinc/75/26/66/1069752666.db2.gz RAWLJYBITAZMBY-RCZSKKKRSA-N 1 0 483.661 3.730 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCNC(=O)[C@H]2CC)CC1 ZINC001307034191 1069749925 /nfs/dbraw/zinc/74/99/25/1069749925.db2.gz PXUGDTCYABJIMN-PGRDOPGGSA-N 1 0 489.064 3.908 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CCCO)CC2)C1 ZINC001307035349 1069753417 /nfs/dbraw/zinc/75/34/17/1069753417.db2.gz SQORQZPAXBSDHI-GOSISDBHSA-N 1 0 479.467 3.757 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001307035465 1069753874 /nfs/dbraw/zinc/75/38/74/1069753874.db2.gz UQXSGFWOABKXHD-FQEVSTJZSA-N 1 0 495.640 3.952 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H](C)Oc3ccc(OCC)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001307036827 1069757528 /nfs/dbraw/zinc/75/75/28/1069757528.db2.gz ZBPUEHIIYZRZIZ-SFTDATJTSA-N 1 0 498.672 3.606 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001307037329 1069758489 /nfs/dbraw/zinc/75/84/89/1069758489.db2.gz BDMDQOXQMJIUSH-DLBZAZTESA-N 1 0 498.981 3.835 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](COC)C2)C1 ZINC001307037710 1069759000 /nfs/dbraw/zinc/75/90/00/1069759000.db2.gz WNFLTRZXSXSVCZ-FGZHOGPDSA-N 1 0 468.646 3.742 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001307038502 1069761461 /nfs/dbraw/zinc/76/14/61/1069761461.db2.gz GHSWUMJCRUDVFY-FUPPJEDESA-N 1 0 489.108 3.800 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccn3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC001307038441 1069761642 /nfs/dbraw/zinc/76/16/42/1069761642.db2.gz JCMXCBTVXAHEIF-YADHBBJMSA-N 1 0 475.641 3.728 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)C)nnc2N2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001307038635 1069762149 /nfs/dbraw/zinc/76/21/49/1069762149.db2.gz IWWIBQMVXDZARA-HSZRJFAPSA-N 1 0 468.646 3.667 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001307038894 1069762214 /nfs/dbraw/zinc/76/22/14/1069762214.db2.gz MYMIHBHSMBATHE-OAQYLSRUSA-N 1 0 452.647 3.760 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001307038736 1069762303 /nfs/dbraw/zinc/76/23/03/1069762303.db2.gz LYABUQGNCQPURQ-ROUUACIJSA-N 1 0 468.067 3.590 20 0 JHADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC(C)(C)Cc2cccc(Cl)c2)CC1 ZINC001312170832 1069764166 /nfs/dbraw/zinc/76/41/66/1069764166.db2.gz BZOOYNGABZNQKT-UHFFFAOYSA-N 1 0 451.055 3.835 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCC(NC(=O)c3ccc(C)s3)CC2)C1 ZINC001307039446 1069764269 /nfs/dbraw/zinc/76/42/69/1069764269.db2.gz WPHMQNOACJQNSO-FQEVSTJZSA-N 1 0 472.703 3.977 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3nn(CC)c(=O)c4ccccc43)nnc2N(CC)C(C)C)C1 ZINC001307041579 1069769282 /nfs/dbraw/zinc/76/92/82/1069769282.db2.gz GHFJSUUCRWUFPK-IBGZPJMESA-N 1 0 451.619 3.642 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccccn3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001307039606 1069765050 /nfs/dbraw/zinc/76/50/50/1069765050.db2.gz COGQMLJUBDSYME-UHFFFAOYSA-N 1 0 490.578 3.775 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(OC)cc2OC)C1 ZINC001307040115 1069765930 /nfs/dbraw/zinc/76/59/30/1069765930.db2.gz WFMHJNNWPSJVCE-LJQANCHMSA-N 1 0 450.587 3.726 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C1 ZINC001307040032 1069765957 /nfs/dbraw/zinc/76/59/57/1069765957.db2.gz VJBJOIKZMUHJLB-VQTJNVASSA-N 1 0 470.637 3.947 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)C1 ZINC001307040802 1069767857 /nfs/dbraw/zinc/76/78/57/1069767857.db2.gz XWGUIEAYGDZZPP-FCHUYYIVSA-N 1 0 482.673 3.674 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC001314195155 1069768363 /nfs/dbraw/zinc/76/83/63/1069768363.db2.gz CIUYWQGWLBOPHT-BDTNDASRSA-N 1 0 498.672 3.748 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001307041953 1069770648 /nfs/dbraw/zinc/77/06/48/1069770648.db2.gz NFVWEPVHUKLPEE-YADHBBJMSA-N 1 0 482.673 3.688 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)C1 ZINC001307041848 1069770879 /nfs/dbraw/zinc/77/08/79/1069770879.db2.gz VINIABGBSGDMDR-HXUWFJFHSA-N 1 0 481.670 3.749 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC(C)(C)O)cc1 ZINC001314195639 1069771071 /nfs/dbraw/zinc/77/10/71/1069771071.db2.gz DSLYOLUDCLJPNW-LJQANCHMSA-N 1 0 459.635 3.898 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C1 ZINC001307042275 1069771532 /nfs/dbraw/zinc/77/15/32/1069771532.db2.gz JMLVDAJMSKEFGU-JLMWRMLUSA-N 1 0 473.584 3.781 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[C@H](OC)C3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001314195777 1069771719 /nfs/dbraw/zinc/77/17/19/1069771719.db2.gz AWFHBVJMMYLNPW-UGKGYDQZSA-N 1 0 457.619 3.916 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001307042521 1069772238 /nfs/dbraw/zinc/77/22/38/1069772238.db2.gz SMLFBPWXCFSCSI-QFIPXVFZSA-N 1 0 478.607 3.870 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3nn(CC)c(=O)c4ccccc43)nnc2N(C)CCC(F)(F)F)C1 ZINC001307043619 1069775311 /nfs/dbraw/zinc/77/53/11/1069775311.db2.gz RZXJWLGQXYJKQX-KRWDZBQOSA-N 1 0 491.562 3.795 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(SC)c(OC)c2)CC1 ZINC001307043855 1069775905 /nfs/dbraw/zinc/77/59/05/1069775905.db2.gz UIUTXNJIIFIPLK-FQEVSTJZSA-N 1 0 486.686 3.718 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@H](NC(=O)CC)C2)C1 ZINC001307043794 1069776124 /nfs/dbraw/zinc/77/61/24/1069776124.db2.gz BJSZWQLXCONLPF-GOTSBHOMSA-N 1 0 482.673 3.701 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cc(OC)cc(OC)c2)C1 ZINC001307043838 1069776158 /nfs/dbraw/zinc/77/61/58/1069776158.db2.gz UAMBSTOCFATHJI-PZJWPPBQSA-N 1 0 457.619 3.558 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001307044306 1069777401 /nfs/dbraw/zinc/77/74/01/1069777401.db2.gz PMMAKAOXMKMLPG-DENIHFKCSA-N 1 0 489.686 3.505 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)C1 ZINC001307045048 1069779831 /nfs/dbraw/zinc/77/98/31/1069779831.db2.gz CEUGYTBTMZRZEC-FCHUYYIVSA-N 1 0 470.687 3.716 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC(C)C)nnc2N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC001307044567 1069778352 /nfs/dbraw/zinc/77/83/52/1069778352.db2.gz QXEHLDVDJDIBOG-UHFFFAOYSA-N 1 0 451.619 3.884 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001314197057 1069778439 /nfs/dbraw/zinc/77/84/39/1069778439.db2.gz LZJIQFYFMYEUFV-DLBZAZTESA-N 1 0 485.551 3.661 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCN([C@@H](C)c3nc(C)no3)CC2)CC1 ZINC001307044599 1069778733 /nfs/dbraw/zinc/77/87/33/1069778733.db2.gz RSOWSQYVWSCOCG-IBGZPJMESA-N 1 0 472.682 3.563 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[C@H](C(=O)OC)C2)C1 ZINC001307044614 1069779013 /nfs/dbraw/zinc/77/90/13/1069779013.db2.gz GZRMXKXCNBQYMM-SFTDATJTSA-N 1 0 483.657 3.886 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@H](C(=O)NC)C3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001314198400 1069783295 /nfs/dbraw/zinc/78/32/95/1069783295.db2.gz PQKSFWQGZBFWAL-FSSWDIPSSA-N 1 0 498.672 3.654 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001307046052 1069784032 /nfs/dbraw/zinc/78/40/32/1069784032.db2.gz QFHMAKDMWIAAFK-KNQAVFIVSA-N 1 0 471.646 3.824 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCCC2)CC1 ZINC001307044965 1069780178 /nfs/dbraw/zinc/78/01/78/1069780178.db2.gz BWTOIWPSVIFQRW-UHFFFAOYSA-N 1 0 457.619 3.578 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCNC(=O)[C@@H]2CC)C1 ZINC001307045513 1069780860 /nfs/dbraw/zinc/78/08/60/1069780860.db2.gz LZGJZZKCPFZCKO-LPHOPBHVSA-N 1 0 495.455 3.611 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C)CCC2)CC1 ZINC001307045268 1069781786 /nfs/dbraw/zinc/78/17/86/1069781786.db2.gz GBHTVAZROJPPGD-UHFFFAOYSA-N 1 0 488.702 3.696 20 0 JHADRO CCOc1ccc2c(c1)CN(c1nnc(Cn3nc(C)cc3C)n1C[C@H](C)[NH+](CC)CC)CC2 ZINC001314199073 1069786640 /nfs/dbraw/zinc/78/66/40/1069786640.db2.gz MJIJNWOEELTRHL-NRFANRHFSA-N 1 0 465.646 3.831 20 0 JHADRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001312216104 1069787506 /nfs/dbraw/zinc/78/75/06/1069787506.db2.gz CXVXVHPGIBEGQC-JWQCQUIFSA-N 1 0 456.606 3.579 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001312217570 1069788927 /nfs/dbraw/zinc/78/89/27/1069788927.db2.gz ACFUUNZRYGRDEK-RXRQOCSWSA-N 1 0 462.610 3.790 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN([C@@H](C)c4nc(C(C)C)no4)CC3)nnc2C(C)(C)C)C1 ZINC001307047702 1069790560 /nfs/dbraw/zinc/79/05/60/1069790560.db2.gz YRSUIHYFURIGHI-PMACEKPBSA-N 1 0 472.682 3.697 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001307047592 1069789649 /nfs/dbraw/zinc/78/96/49/1069789649.db2.gz VXGFMCHIPQAJSL-YLJYHZDGSA-N 1 0 498.118 3.579 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2c(C)nn(C)c2C)C1 ZINC001307047687 1069790703 /nfs/dbraw/zinc/79/07/03/1069790703.db2.gz XZVFBHRSPAGQTL-QZNHQXDQSA-N 1 0 471.694 3.915 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2Cc2ccc(OC)c(F)c2)CC1 ZINC001307047857 1069792066 /nfs/dbraw/zinc/79/20/66/1069792066.db2.gz CITAMAHLOPRCMA-UHFFFAOYSA-N 1 0 452.578 3.771 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001314200521 1069792740 /nfs/dbraw/zinc/79/27/40/1069792740.db2.gz UQHBTKOYSPBCMK-GBXCKJPGSA-N 1 0 498.672 3.606 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 ZINC001307048069 1069792685 /nfs/dbraw/zinc/79/26/85/1069792685.db2.gz LMFARFYSIIPMGQ-VWLOTQADSA-N 1 0 486.680 3.675 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CC(C)C)n2Cc2cccc(N3CCCC3=O)c2)CC1 ZINC001307048038 1069792777 /nfs/dbraw/zinc/79/27/77/1069792777.db2.gz KOEWRSXCOGGDEQ-UHFFFAOYSA-N 1 0 452.647 3.962 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 ZINC001307048068 1069792785 /nfs/dbraw/zinc/79/27/85/1069792785.db2.gz LMFARFYSIIPMGQ-RUZDIDTESA-N 1 0 486.680 3.675 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)C(C)C)CC1 ZINC001307048605 1069794086 /nfs/dbraw/zinc/79/40/86/1069794086.db2.gz FGIOBDFGIKYQJP-QFIPXVFZSA-N 1 0 481.483 3.764 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccn3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001307049982 1069798745 /nfs/dbraw/zinc/79/87/45/1069798745.db2.gz PMWVUJRBTXMRBU-UHFFFAOYSA-N 1 0 469.634 3.518 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001307050201 1069799515 /nfs/dbraw/zinc/79/95/15/1069799515.db2.gz AUEMGRLMQVXMLX-ISKFKSNPSA-N 1 0 497.688 3.909 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001314201253 1069795394 /nfs/dbraw/zinc/79/53/94/1069795394.db2.gz VWNSULVQUIWMQA-BHDDXSALSA-N 1 0 498.672 3.604 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C(=O)NCC)CC1 ZINC001307049177 1069796596 /nfs/dbraw/zinc/79/65/96/1069796596.db2.gz IYYXAEROEHUPRV-UHFFFAOYSA-N 1 0 497.688 3.620 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NC2CCCCC2)CC1 ZINC001307049790 1069798025 /nfs/dbraw/zinc/79/80/25/1069798025.db2.gz OBQRKDSHXCXSDH-UHFFFAOYSA-N 1 0 498.672 3.722 20 0 JHADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)CC1 ZINC001312235430 1069798293 /nfs/dbraw/zinc/79/82/93/1069798293.db2.gz UMLUXJYIIRZTBY-UHFFFAOYSA-N 1 0 458.965 3.596 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001307050529 1069800825 /nfs/dbraw/zinc/80/08/25/1069800825.db2.gz YLJOTHZESCWQIR-NHCUHLMSSA-N 1 0 476.666 3.745 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC001307050736 1069801390 /nfs/dbraw/zinc/80/13/90/1069801390.db2.gz FNNSETGCBNYALL-HXUWFJFHSA-N 1 0 473.618 3.514 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCCN(CC)C(=O)C3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001314202446 1069802606 /nfs/dbraw/zinc/80/26/06/1069802606.db2.gz QHLVEKZMEKCBQW-VXKWHMMOSA-N 1 0 498.672 3.750 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001307051670 1069804791 /nfs/dbraw/zinc/80/47/91/1069804791.db2.gz RRARDHKXXQLRMN-PMACEKPBSA-N 1 0 459.610 3.979 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2CC[C@@H]2CCOC2)CC1 ZINC001307050337 1069800353 /nfs/dbraw/zinc/80/03/53/1069800353.db2.gz QUHRRYGTFPJNHD-QGZVFWFLSA-N 1 0 479.467 3.783 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001307051858 1069805992 /nfs/dbraw/zinc/80/59/92/1069805992.db2.gz UNVHWCNPZUSUPH-FQEVSTJZSA-N 1 0 467.536 3.731 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)c(COC)c2)CC1 ZINC001307052628 1069808973 /nfs/dbraw/zinc/80/89/73/1069808973.db2.gz AQFBWOYHDCPDTB-UHFFFAOYSA-N 1 0 483.636 3.784 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1ccccc1F ZINC001307052129 1069807184 /nfs/dbraw/zinc/80/71/84/1069807184.db2.gz ZKTLGAXNILMQNS-OAQYLSRUSA-N 1 0 456.610 3.597 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2CCCO2)cc1 ZINC001314203444 1069808019 /nfs/dbraw/zinc/80/80/19/1069808019.db2.gz SYTCAERGDHYITG-NZQKXSOJSA-N 1 0 457.619 3.916 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3cccc(C)c3)n2CC(=O)NC2CCCCC2)CC1 ZINC001307052835 1069809450 /nfs/dbraw/zinc/80/94/50/1069809450.db2.gz GABVUKLLAKVZKO-UHFFFAOYSA-N 1 0 482.673 3.925 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@H]3[C@H]3CCCO3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001314204006 1069810342 /nfs/dbraw/zinc/81/03/42/1069810342.db2.gz XSJNFRKXDNFGGQ-DAVBRLECSA-N 1 0 457.619 3.915 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001307053682 1069812794 /nfs/dbraw/zinc/81/27/94/1069812794.db2.gz JIJPYAZPHBFIHZ-MSOLQXFVSA-N 1 0 479.551 3.969 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307053975 1069815139 /nfs/dbraw/zinc/81/51/39/1069815139.db2.gz JOQLTNMJMOZCOU-DEOSSOPVSA-N 1 0 495.672 3.517 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(CC)CCS(C)(=O)=O ZINC001307054739 1069816960 /nfs/dbraw/zinc/81/69/60/1069816960.db2.gz LEVAFNISEXJNMC-NRFANRHFSA-N 1 0 484.670 3.629 20 0 JHADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)[C@H](C)C1 ZINC001312266525 1069823431 /nfs/dbraw/zinc/82/34/31/1069823431.db2.gz RWBNHJSSQFAOFP-DYESRHJHSA-N 1 0 451.453 3.785 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(=O)NCC)c2)CC1 ZINC001307055110 1069819548 /nfs/dbraw/zinc/81/95/48/1069819548.db2.gz KCMBOZGLPFRGPC-HSZRJFAPSA-N 1 0 468.646 3.628 20 0 JHADRO CC(C)C[C@H](CNC(=O)N1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2)[NH2+][C@H](C)c1ccccc1 ZINC001312269368 1069826352 /nfs/dbraw/zinc/82/63/52/1069826352.db2.gz HCAHSOJQEHTLJV-OJYDYIISSA-N 1 0 453.631 3.710 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001307056426 1069827215 /nfs/dbraw/zinc/82/72/15/1069827215.db2.gz SSFKDIJCOPAPRY-REWPJTCUSA-N 1 0 498.672 3.674 20 0 JHADRO CCOc1ccccc1C(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001314210130 1069830845 /nfs/dbraw/zinc/83/08/45/1069830845.db2.gz LFQZCAAXLUAJCB-UHFFFAOYSA-N 1 0 496.681 3.632 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C(N)=O)CC1 ZINC001307057620 1069833961 /nfs/dbraw/zinc/83/39/61/1069833961.db2.gz XRIVWXKABDGYKY-LJQANCHMSA-N 1 0 475.037 3.573 20 0 JHADRO COc1ccc(CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C2CCCCC2)cc1OC ZINC001312280464 1069834923 /nfs/dbraw/zinc/83/49/23/1069834923.db2.gz FCAXXCDCABKJDM-PKTZIBPZSA-N 1 0 459.631 3.926 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2)CC1 ZINC001307057786 1069835412 /nfs/dbraw/zinc/83/54/12/1069835412.db2.gz ZKQXSSWCAZHTGF-REWPJTCUSA-N 1 0 488.702 3.537 20 0 JHADRO O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001312281926 1069835460 /nfs/dbraw/zinc/83/54/60/1069835460.db2.gz YODQMCQYRHWHHD-NJYVYQBISA-N 1 0 450.421 3.967 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001307058523 1069840953 /nfs/dbraw/zinc/84/09/53/1069840953.db2.gz KXFVIFDJRHLKTE-NRFANRHFSA-N 1 0 479.595 3.603 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001307058824 1069841005 /nfs/dbraw/zinc/84/10/05/1069841005.db2.gz QLGFZGCTNWVKLY-CMKODMSKSA-N 1 0 495.640 3.920 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001307058993 1069841855 /nfs/dbraw/zinc/84/18/55/1069841855.db2.gz RRHBKFXPJASJCZ-RTBURBONSA-N 1 0 471.568 3.784 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001307059458 1069844381 /nfs/dbraw/zinc/84/43/81/1069844381.db2.gz WYHFJJDYDJZANU-BWKNWUBXSA-N 1 0 457.667 3.617 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001307059540 1069845615 /nfs/dbraw/zinc/84/56/15/1069845615.db2.gz UKXPJHIQSCGZAP-PKTZIBPZSA-N 1 0 468.646 3.535 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC001312306076 1069850509 /nfs/dbraw/zinc/85/05/09/1069850509.db2.gz RMLIUOBOFZHBCE-FHWLQOOXSA-N 1 0 454.315 3.505 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(C)o3)n2CCC[N@H+](C)C2CCCCC2)CC1=O ZINC001307060733 1069850571 /nfs/dbraw/zinc/85/05/71/1069850571.db2.gz DNIUATOGSIILQG-UHFFFAOYSA-N 1 0 456.635 3.950 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001307061671 1069854031 /nfs/dbraw/zinc/85/40/31/1069854031.db2.gz HFNZFNZVCUIWQH-SFTDATJTSA-N 1 0 455.651 3.526 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1ccccc1CC ZINC001307061658 1069854086 /nfs/dbraw/zinc/85/40/86/1069854086.db2.gz GWXHJBLWUMNIAE-NRFANRHFSA-N 1 0 476.629 3.637 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001307061678 1069854334 /nfs/dbraw/zinc/85/43/34/1069854334.db2.gz HJJOKMZOWACRPU-LEWJYISDSA-N 1 0 485.677 3.899 20 0 JHADRO COC[C@]1(CNC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC001312314530 1069857160 /nfs/dbraw/zinc/85/71/60/1069857160.db2.gz OSCDBGKRFCQNIS-CIXCFARBSA-N 1 0 451.611 3.701 20 0 JHADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC001312311389 1069854544 /nfs/dbraw/zinc/85/45/44/1069854544.db2.gz UKTCJJHSIODBNT-QHCPKHFHSA-N 1 0 452.574 3.875 20 0 JHADRO COC(=O)c1ccc(F)c2c1CN(C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC001312314966 1069857645 /nfs/dbraw/zinc/85/76/45/1069857645.db2.gz SBBLWTKWUYSXOG-AZUAARDMSA-N 1 0 453.558 3.981 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001314218620 1069859102 /nfs/dbraw/zinc/85/91/02/1069859102.db2.gz VGCBOCPLAGHLDH-MOPGFXCFSA-N 1 0 457.619 3.742 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001314218623 1069859626 /nfs/dbraw/zinc/85/96/26/1069859626.db2.gz VGCBOCPLAGHLDH-RTBURBONSA-N 1 0 457.619 3.742 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001307063261 1069861513 /nfs/dbraw/zinc/86/15/13/1069861513.db2.gz OUUOKXGGLPGXPM-FYYLOGMGSA-N 1 0 481.689 3.983 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001307063263 1069861610 /nfs/dbraw/zinc/86/16/10/1069861610.db2.gz OUUOKXGGLPGXPM-GMAHTHKFSA-N 1 0 481.689 3.983 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(CC)CCS(C)(=O)=O ZINC001307064010 1069864720 /nfs/dbraw/zinc/86/47/20/1069864720.db2.gz ZKGRMSCKZIOWHC-LJQANCHMSA-N 1 0 472.659 3.562 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N(C)[C@H]2CCSC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001307064213 1069865499 /nfs/dbraw/zinc/86/54/99/1069865499.db2.gz AYTBTZMTDUFTSA-QTEQDKRBSA-N 1 0 451.681 3.525 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[NH+]2CCCCC2)CC1=O ZINC001307064738 1069867366 /nfs/dbraw/zinc/86/73/66/1069867366.db2.gz QRFQSODITLWFHZ-UHFFFAOYSA-N 1 0 475.037 3.542 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1=O ZINC001307064595 1069867480 /nfs/dbraw/zinc/86/74/80/1069867480.db2.gz GWGLKWGJTPNQDG-JOCHJYFZSA-N 1 0 484.645 3.821 20 0 JHADRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCCc2cc(Cl)ccc2Br)CC1 ZINC001312329283 1069867886 /nfs/dbraw/zinc/86/78/86/1069867886.db2.gz USSSFGDHMYKYTL-UHFFFAOYSA-N 1 0 458.828 3.931 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2CCCC[NH+]2CCC(C)CC2)CC1=O ZINC001307065487 1069871112 /nfs/dbraw/zinc/87/11/12/1069871112.db2.gz PAZAYHWHBRBZDN-UHFFFAOYSA-N 1 0 484.664 3.969 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC001307065653 1069871609 /nfs/dbraw/zinc/87/16/09/1069871609.db2.gz GLXVXMBIIRDNQW-NRFANRHFSA-N 1 0 456.610 3.653 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(F)F)CC1 ZINC001307065952 1069873124 /nfs/dbraw/zinc/87/31/24/1069873124.db2.gz GQXBCUBLOKSMHU-LJQANCHMSA-N 1 0 480.579 3.648 20 0 JHADRO COC(=O)c1sc2c(c1Br)CN(C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)C2 ZINC001312339247 1069873455 /nfs/dbraw/zinc/87/34/55/1069873455.db2.gz VWNMGCIMZUTIGZ-CYBMUJFWSA-N 1 0 458.422 3.690 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001307068609 1069879945 /nfs/dbraw/zinc/87/99/45/1069879945.db2.gz QKYIYCBMQUNPIU-QHCPKHFHSA-N 1 0 486.636 3.617 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N(C)[C@@H](C)CC(N)=O)nnc1C1(c2ccccc2)CCC1 ZINC001307070133 1069885251 /nfs/dbraw/zinc/88/52/51/1069885251.db2.gz XSWVENZQDRCBHR-UNMCSNQZSA-N 1 0 452.647 3.713 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001307070217 1069885800 /nfs/dbraw/zinc/88/58/00/1069885800.db2.gz ZEVDFQNLEJFABQ-VXKWHMMOSA-N 1 0 484.645 3.707 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](CC)C1 ZINC001307070254 1069886043 /nfs/dbraw/zinc/88/60/43/1069886043.db2.gz ZUROPHKPKGPBCW-NHCUHLMSSA-N 1 0 457.619 3.745 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCSC[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001307069356 1069882535 /nfs/dbraw/zinc/88/25/35/1069882535.db2.gz SNIXZEZFEAHKNI-VIZSFHNOSA-N 1 0 451.681 3.525 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001307069871 1069882887 /nfs/dbraw/zinc/88/28/87/1069882887.db2.gz VIJLLFIELRIJCF-VQTJNVASSA-N 1 0 464.655 3.525 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)NCC)CC1 ZINC001307069807 1069883154 /nfs/dbraw/zinc/88/31/54/1069883154.db2.gz UGIFCMJNYVDKSN-HSZRJFAPSA-N 1 0 497.688 3.536 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CC(F)(F)F ZINC001314224644 1069886655 /nfs/dbraw/zinc/88/66/55/1069886655.db2.gz SLCRLRTWUYQMMS-QGZVFWFLSA-N 1 0 453.509 3.883 20 0 JHADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001312358049 1069884431 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HKFKDDGLDVSLHB-OAHLLOKOSA-N 1 0 458.360 3.640 20 0 JHADRO CC(C)(C)OC(=O)NCC1CC[NH+](CC2(O)C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001307572851 1070060129 /nfs/dbraw/zinc/06/01/29/1070060129.db2.gz BPTFOFPLQNWTQW-QRQCMCJISA-N 1 0 453.624 3.516 20 0 JHADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC001312646808 1070060839 /nfs/dbraw/zinc/06/08/39/1070060839.db2.gz QGNVTOUNGZVHGX-QFBILLFUSA-N 1 0 453.414 3.862 20 0 JHADRO CCCCn1c(N)c(N(CC)C(=O)C[NH2+][C@H](c2ccccc2)C2CCCCC2)c(=O)[nH]c1=O ZINC001307587057 1070066000 /nfs/dbraw/zinc/06/60/00/1070066000.db2.gz YUIOCNCTXOUPKQ-OAQYLSRUSA-N 1 0 455.603 3.595 20 0 JHADRO C[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)[C@@H](C)C[N@@H+]1C ZINC001307590873 1070069999 /nfs/dbraw/zinc/06/99/99/1070069999.db2.gz YGRZUWMVHLGIBA-ZMPRRUGASA-N 1 0 459.516 3.812 20 0 JHADRO O=C(NCC1(c2ccc(Br)s2)CCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001312672023 1070073363 /nfs/dbraw/zinc/07/33/63/1070073363.db2.gz LLOZPKNAVOPRDZ-UHFFFAOYSA-N 1 0 456.450 3.875 20 0 JHADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC001312672093 1070073838 /nfs/dbraw/zinc/07/38/38/1070073838.db2.gz MKDVCSIUOUHFEU-BJKOFHAPSA-N 1 0 458.002 3.874 20 0 JHADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)NCc1c(F)cccc1N1CCCC1 ZINC001312679260 1070078662 /nfs/dbraw/zinc/07/86/62/1070078662.db2.gz YZYYHTXOERMFLC-UHFFFAOYSA-N 1 0 459.654 3.764 20 0 JHADRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)CC(C)(C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC001307606304 1070079170 /nfs/dbraw/zinc/07/91/70/1070079170.db2.gz HEYSCSDEGCACQG-GOSISDBHSA-N 1 0 451.633 3.566 20 0 JHADRO CCOCc1ccccc1Cn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001314294391 1070077105 /nfs/dbraw/zinc/07/71/05/1070077105.db2.gz BFHMIGAJXVGQLN-TVZXLZGTSA-N 1 0 496.700 3.755 20 0 JHADRO Cc1cccc(COc2ccc([C@H](C)[NH2+][C@@H](C)C(=O)N3CCN(c4ncccn4)CC3)cc2)c1 ZINC001307610049 1070080596 /nfs/dbraw/zinc/08/05/96/1070080596.db2.gz GPQSUTJWCLIFTL-VXKWHMMOSA-N 1 0 459.594 3.752 20 0 JHADRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CC1 ZINC001312683909 1070080966 /nfs/dbraw/zinc/08/09/66/1070080966.db2.gz CTHNYABZDZONRV-HXUWFJFHSA-N 1 0 457.537 3.708 20 0 JHADRO CC(C)Sc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC001307612422 1070081643 /nfs/dbraw/zinc/08/16/43/1070081643.db2.gz XEZBXYDXGKBGTJ-LJQANCHMSA-N 1 0 455.624 3.627 20 0 JHADRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC001307617568 1070083204 /nfs/dbraw/zinc/08/32/04/1070083204.db2.gz SXNICUWAHJMRES-IBGZPJMESA-N 1 0 456.967 3.904 20 0 JHADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1ccc2c(c1)OCCO2 ZINC001307623712 1070086065 /nfs/dbraw/zinc/08/60/65/1070086065.db2.gz NJNWEAAFIWASFG-MRXNPFEDSA-N 1 0 452.292 3.742 20 0 JHADRO COc1cc([C@H](C)[NH2+]CC(=O)N(C)Cc2cc(Br)cs2)cc(OC)c1OC ZINC001307629958 1070089575 /nfs/dbraw/zinc/08/95/75/1070089575.db2.gz HMWGNFJRYBXBHN-LBPRGKRZSA-N 1 0 457.390 3.846 20 0 JHADRO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)[NH+](C)C)cc1 ZINC001312711081 1070089634 /nfs/dbraw/zinc/08/96/34/1070089634.db2.gz VLQPYOKCVFFKQR-KAOXLYBCSA-N 1 0 457.619 3.770 20 0 JHADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1OCc1ccncc1 ZINC001307631416 1070090218 /nfs/dbraw/zinc/09/02/18/1070090218.db2.gz KYYLVFWLUPIQSG-NQIIRXRSSA-N 1 0 457.571 3.956 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314304821 1070091190 /nfs/dbraw/zinc/09/11/90/1070091190.db2.gz VHVCROFOBTVQMP-RBBKRZOGSA-N 1 0 490.718 3.506 20 0 JHADRO CC[C@H]([NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC001307632745 1070092288 /nfs/dbraw/zinc/09/22/88/1070092288.db2.gz KYTYMRPAMFIIKN-NZQKXSOJSA-N 1 0 457.621 3.732 20 0 JHADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001307633999 1070093060 /nfs/dbraw/zinc/09/30/60/1070093060.db2.gz ACHRHSRWXWVXAF-AWEZNQCLSA-N 1 0 454.328 3.781 20 0 JHADRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 ZINC001307639782 1070095290 /nfs/dbraw/zinc/09/52/90/1070095290.db2.gz KCQQJPZGBKEJQQ-SANMLTNESA-N 1 0 450.627 3.977 20 0 JHADRO CCOCc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314307969 1070095369 /nfs/dbraw/zinc/09/53/69/1070095369.db2.gz ZXTQWMWJIIZIRM-UHFFFAOYSA-N 1 0 478.610 3.754 20 0 JHADRO O=C(CC[NH2+][C@@H](CN1CCOCC1)c1ccccc1)Nc1ccc(Br)cc1F ZINC001307639835 1070095641 /nfs/dbraw/zinc/09/56/41/1070095641.db2.gz KLRSRWQAJSXUHL-FQEVSTJZSA-N 1 0 450.352 3.580 20 0 JHADRO CCOCc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314309138 1070096177 /nfs/dbraw/zinc/09/61/77/1070096177.db2.gz PUOYKMBTECDLSW-GOSISDBHSA-N 1 0 483.514 3.645 20 0 JHADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001307640821 1070096315 /nfs/dbraw/zinc/09/63/15/1070096315.db2.gz WJCGMPVHYXVGEF-KRWDZBQOSA-N 1 0 455.410 3.539 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(CCC[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)CC1 ZINC001307654290 1070104508 /nfs/dbraw/zinc/10/45/08/1070104508.db2.gz PANDTXLBBVNCAQ-UHFFFAOYSA-N 1 0 451.633 3.696 20 0 JHADRO CCOCc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314323980 1070109824 /nfs/dbraw/zinc/10/98/24/1070109824.db2.gz UHMRFMIEHBILOO-QXUYBEEESA-N 1 0 471.646 3.669 20 0 JHADRO CCOCc1nnc(N2CCC(=Cc3cccc(OC)c3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001314325234 1070111747 /nfs/dbraw/zinc/11/17/47/1070111747.db2.gz KWUDGFIOCGMOKG-UHFFFAOYSA-N 1 0 483.657 3.742 20 0 JHADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC001312771791 1070113630 /nfs/dbraw/zinc/11/36/30/1070113630.db2.gz YYNBJJLQZNKDIH-FQEVSTJZSA-N 1 0 450.421 3.826 20 0 JHADRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC001307671815 1070115501 /nfs/dbraw/zinc/11/55/01/1070115501.db2.gz HPIFMVSFQQILHA-CYFREDJKSA-N 1 0 451.596 3.905 20 0 JHADRO CCOCc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001314329604 1070120720 /nfs/dbraw/zinc/12/07/20/1070120720.db2.gz XOSHONIFUCNZNB-BGYRXZFFSA-N 1 0 459.660 3.668 20 0 JHADRO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC001307685710 1070124710 /nfs/dbraw/zinc/12/47/10/1070124710.db2.gz XYZPEBAHZCXZOP-WNSKOXEYSA-N 1 0 459.568 3.581 20 0 JHADRO COc1ccc([C@H](C)NC(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)c(C)c1OC ZINC001312792664 1070123533 /nfs/dbraw/zinc/12/35/33/1070123533.db2.gz GGOWZANFBXMIEW-FQEVSTJZSA-N 1 0 452.599 3.727 20 0 JHADRO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@H+]([C@H](C)CO)C1CCCC1 ZINC001307684102 1070123807 /nfs/dbraw/zinc/12/38/07/1070123807.db2.gz KDIIKGZNFNYUSJ-QGZVFWFLSA-N 1 0 455.555 3.520 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314331241 1070123810 /nfs/dbraw/zinc/12/38/10/1070123810.db2.gz QGOFCVVFFBLRPW-UHFFFAOYSA-N 1 0 496.700 3.778 20 0 JHADRO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC001307685759 1070124599 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/nfs/dbraw/zinc/13/40/45/1070134045.db2.gz FOSKGBVHGNAJCN-NHCUHLMSSA-N 1 0 457.667 3.690 20 0 JHADRO O=C1[C@H]([N@@H+](Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)CCN1CC(F)(F)F ZINC001307698293 1070134145 /nfs/dbraw/zinc/13/41/45/1070134145.db2.gz CHQIGRGPDRCEGQ-RTBURBONSA-N 1 0 458.427 3.987 20 0 JHADRO O=C(C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001307704173 1070135886 /nfs/dbraw/zinc/13/58/86/1070135886.db2.gz AZNVUENXIHNXER-BBRMVZONSA-N 1 0 452.304 3.657 20 0 JHADRO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC001312814239 1070136918 /nfs/dbraw/zinc/13/69/18/1070136918.db2.gz MFJNFEDTDPDBQY-IBGZPJMESA-N 1 0 459.660 3.766 20 0 JHADRO CCOCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001314340681 1070138695 /nfs/dbraw/zinc/13/86/95/1070138695.db2.gz CHCYZGUVGZTWRB-LEWJYISDSA-N 1 0 478.682 3.772 20 0 JHADRO CCOCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@](C)(O)c1ccco1 ZINC001314341060 1070140232 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CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@H](O)CC2(O)CCCC2)cc1 ZINC001307919120 1070241065 /nfs/dbraw/zinc/24/10/65/1070241065.db2.gz PAPCJKQGTKZNGD-PUHATCMVSA-N 1 0 462.631 3.824 20 0 JHADRO CCOCc1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314391253 1070245915 /nfs/dbraw/zinc/24/59/15/1070245915.db2.gz WDPBTPWJGHZHAN-RXVVDRJESA-N 1 0 487.649 3.596 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC001307927329 1070246412 /nfs/dbraw/zinc/24/64/12/1070246412.db2.gz AZIGEQPIHRGCAR-KSFYIVLOSA-N 1 0 453.421 3.906 20 0 JHADRO COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001313089053 1070246965 /nfs/dbraw/zinc/24/69/65/1070246965.db2.gz DGGZYHQMMURYFR-KBMIEXCESA-N 1 0 455.599 3.727 20 0 JHADRO COc1ccc(OC)c([C@@H](O)[C@@H](C)NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001313089051 1070246976 /nfs/dbraw/zinc/24/69/76/1070246976.db2.gz DGGZYHQMMURYFR-CLOONOSVSA-N 1 0 455.599 3.727 20 0 JHADRO 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CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001308028176 1070285409 /nfs/dbraw/zinc/28/54/09/1070285409.db2.gz VVEAZTCILQLXDM-RPWUZVMVSA-N 1 0 455.640 3.621 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCCCC2)C1 ZINC001314417988 1070285747 /nfs/dbraw/zinc/28/57/47/1070285747.db2.gz HNNVZOQKXOAQIN-HXUWFJFHSA-N 1 0 457.619 3.701 20 0 JHADRO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC001308030869 1070286265 /nfs/dbraw/zinc/28/62/65/1070286265.db2.gz LVOIBNBWGDSTCY-DVECYGJZSA-N 1 0 474.579 3.849 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(Cc2cc(Br)cs2)C1 ZINC001308030410 1070286485 /nfs/dbraw/zinc/28/64/85/1070286485.db2.gz ZFWSNZGWJUICDM-BMFZPTHFSA-N 1 0 472.405 3.525 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001314418414 1070286710 /nfs/dbraw/zinc/28/67/10/1070286710.db2.gz POPSYDHBWOTSMI-KNQAVFIVSA-N 1 0 495.603 3.620 20 0 JHADRO C[C@H]1C[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001308049658 1070292707 /nfs/dbraw/zinc/29/27/07/1070292707.db2.gz BBGRCJOKQTVCDG-MHECFPHRSA-N 1 0 453.624 3.734 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001314422008 1070295406 /nfs/dbraw/zinc/29/54/06/1070295406.db2.gz VXXVRFIENCCLCS-PMACEKPBSA-N 1 0 462.038 3.698 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001314426002 1070303451 /nfs/dbraw/zinc/30/34/51/1070303451.db2.gz GDTNXQCVHWAUHM-HSZRJFAPSA-N 1 0 485.673 3.654 20 0 JHADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](CCc1ccc(OC(F)(F)F)cc1)C2 ZINC001308077321 1070304356 /nfs/dbraw/zinc/30/43/56/1070304356.db2.gz HXUXMPSRSMEFCH-HYFFOGBASA-N 1 0 472.504 3.906 20 0 JHADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](C[C@@H]1Cc3ccccc3O[C@H]1C(F)(F)F)C2 ZINC001308077128 1070304678 /nfs/dbraw/zinc/30/46/78/1070304678.db2.gz HAOULUJEUBCJHJ-NDYBWTGJSA-N 1 0 498.542 3.947 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314429897 1070312299 /nfs/dbraw/zinc/31/22/99/1070312299.db2.gz SARUOKPCRRILLT-FUPPJEDESA-N 1 0 455.647 3.870 20 0 JHADRO CCN(C(=O)NCCc1ccccc1S(=O)(=O)CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001313273520 1070312352 /nfs/dbraw/zinc/31/23/52/1070312352.db2.gz OXZWOSSMLLEWHR-OFNKIYASSA-N 1 0 457.640 3.890 20 0 JHADRO CN(C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C(=O)OC(C)(C)C ZINC001308084349 1070307652 /nfs/dbraw/zinc/30/76/52/1070307652.db2.gz RXNSCWYFDGQYRZ-NRFANRHFSA-N 1 0 458.603 3.863 20 0 JHADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001313280762 1070315200 /nfs/dbraw/zinc/31/52/00/1070315200.db2.gz NVEKLJMKAFHMPQ-MZYLBHOOSA-N 1 0 473.662 3.971 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@H+](C)C(C)C)C1 ZINC001314434004 1070319503 /nfs/dbraw/zinc/31/95/03/1070319503.db2.gz AUFIKBAVMZYNFK-NRFANRHFSA-N 1 0 492.709 3.986 20 0 JHADRO CC1([NH+]2CCCC2)CCC(NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC001313304377 1070321209 /nfs/dbraw/zinc/32/12/09/1070321209.db2.gz BRMGOQILOGAVDP-HOHBBMLPSA-N 1 0 452.437 3.696 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001314435360 1070321820 /nfs/dbraw/zinc/32/18/20/1070321820.db2.gz PQZYNOPDIPXZTE-SJORKVTESA-N 1 0 450.425 3.829 20 0 JHADRO CC(C)(C)OC(=O)N1CC(OC2CC[NH+](CC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC001308125378 1070323119 /nfs/dbraw/zinc/32/31/19/1070323119.db2.gz VJIXALFSXXFJKW-GOSISDBHSA-N 1 0 453.624 3.734 20 0 JHADRO O[C@]1(CN2CCOc3c(Cl)cc(Br)cc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001308140206 1070325996 /nfs/dbraw/zinc/32/59/96/1070325996.db2.gz HHIRMRFEPUIYCJ-OAQYLSRUSA-N 1 0 451.792 3.934 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+](C)[C@@H](C)CC)C1 ZINC001314438921 1070326448 /nfs/dbraw/zinc/32/64/48/1070326448.db2.gz NYECCVVPCXEFQI-LEWJYISDSA-N 1 0 492.709 3.986 20 0 JHADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1 ZINC001313335112 1070330111 /nfs/dbraw/zinc/33/01/11/1070330111.db2.gz BYNVAKLTLGEGHW-CQAGSAPUSA-N 1 0 456.631 3.880 20 0 JHADRO CCC[C@](C)([NH2+]CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)c1ccccc1 ZINC001308155347 1070330607 /nfs/dbraw/zinc/33/06/07/1070330607.db2.gz YFBMTWFDHLOIIR-ZTTNJJDWSA-N 1 0 452.580 3.539 20 0 JHADRO C[C@H](NC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)cc2c1OCC2 ZINC001313339988 1070331632 /nfs/dbraw/zinc/33/16/32/1070331632.db2.gz BRVHUEGDQHBKOV-IBGZPJMESA-N 1 0 457.018 3.795 20 0 JHADRO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC001313368368 1070339198 /nfs/dbraw/zinc/33/91/98/1070339198.db2.gz FPDUNCZTAPIYDY-MRXNPFEDSA-N 1 0 451.409 3.541 20 0 JHADRO Fc1cc(Br)c(I)cc1CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001308205030 1070340364 /nfs/dbraw/zinc/34/03/64/1070340364.db2.gz MMNNWOADWWPGIH-LSDHHAIUSA-N 1 0 453.137 3.909 20 0 JHADRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(C(F)(F)F)nc3N(C)C)cc2)C[C@H](C)O1 ZINC001308221573 1070342447 /nfs/dbraw/zinc/34/24/47/1070342447.db2.gz KLYADKXJRFWRNC-HOTGVXAUSA-N 1 0 450.505 3.706 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H](NC(=O)NCC[NH+]1CCCCC1)c1ccccc1O2 ZINC001313386050 1070344268 /nfs/dbraw/zinc/34/42/68/1070344268.db2.gz WPLZAUQSMXOKFA-NLFFAJNJSA-N 1 0 458.603 3.675 20 0 JHADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CCNC(=O)c1ccccc1C(F)(F)F)CC(F)(F)F ZINC001308250805 1070346540 /nfs/dbraw/zinc/34/65/40/1070346540.db2.gz ZIEUOMAXYPUWBM-LBPRGKRZSA-N 1 0 457.415 3.871 20 0 JHADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001308271612 1070349153 /nfs/dbraw/zinc/34/91/53/1070349153.db2.gz VNEQDCPTYNDKIF-YLJYHZDGSA-N 1 0 451.036 3.520 20 0 JHADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2c(C)ccc(Br)c2F)CC1 ZINC001308263259 1070347796 /nfs/dbraw/zinc/34/77/96/1070347796.db2.gz MXOQASBYWMPTLK-UHFFFAOYSA-N 1 0 458.372 3.504 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@H](c2nccn2C)c2ccc(F)c(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001313413191 1070352009 /nfs/dbraw/zinc/35/20/09/1070352009.db2.gz DPPWUWSMRZFLJM-MBSDFSHPSA-N 1 0 453.537 3.951 20 0 JHADRO COc1cc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)ccc1OCc1ccc(Cl)cc1 ZINC001308299007 1070353510 /nfs/dbraw/zinc/35/35/10/1070353510.db2.gz AXDHSCMTMWTOSB-KOSHJBKYSA-N 1 0 457.958 3.738 20 0 JHADRO CCOCCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001314459297 1070362875 /nfs/dbraw/zinc/36/28/75/1070362875.db2.gz MMOFNBXZLVEBOF-UHFFFAOYSA-N 1 0 456.454 3.974 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001313446505 1070363145 /nfs/dbraw/zinc/36/31/45/1070363145.db2.gz AEAKFFDRUMSUKO-HOFKKMOUSA-N 1 0 482.673 3.823 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001313446233 1070361659 /nfs/dbraw/zinc/36/16/59/1070361659.db2.gz AIMMIEONBBPLBQ-GGAORHGYSA-N 1 0 482.673 3.911 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313446230 1070361897 /nfs/dbraw/zinc/36/18/97/1070361897.db2.gz AEUDAYANNLCAAK-HKUYNNGSSA-N 1 0 491.036 3.758 20 0 JHADRO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH2+]Cc2ccc(F)c3cccnc23)C(F)(F)F)CC1 ZINC001308382359 1070365349 /nfs/dbraw/zinc/36/53/49/1070365349.db2.gz HAMHCQVOPFTXKJ-SFHVURJKSA-N 1 0 456.484 3.947 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC(N)=O)CC1 ZINC001313447142 1070365791 /nfs/dbraw/zinc/36/57/91/1070365791.db2.gz JFHPYGSEWLQKMC-IBGZPJMESA-N 1 0 475.037 3.573 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC(=O)NC(C)C ZINC001313447215 1070366017 /nfs/dbraw/zinc/36/60/17/1070366017.db2.gz ITFIFFZDFLQNDS-IBGZPJMESA-N 1 0 477.451 3.543 20 0 JHADRO CCOCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001314460238 1070366242 /nfs/dbraw/zinc/36/62/42/1070366242.db2.gz CYACNIKTMZXGEQ-WOJBJXKFSA-N 1 0 478.682 3.738 20 0 JHADRO O=C([C@@H](C[NH2+]Cc1cccc(F)c1OC(F)(F)F)Cc1cccc(F)c1)N1CCOCC1 ZINC001308394053 1070367061 /nfs/dbraw/zinc/36/70/61/1070367061.db2.gz BCCTWUOPAPNKLF-QGZVFWFLSA-N 1 0 458.427 3.671 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001313447552 1070367527 /nfs/dbraw/zinc/36/75/27/1070367527.db2.gz KTTBEKOVYNSVEC-NRFANRHFSA-N 1 0 458.651 3.516 20 0 JHADRO CS(=O)(=O)c1cc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc(C(F)(F)F)c1 ZINC001308395313 1070368740 /nfs/dbraw/zinc/36/87/40/1070368740.db2.gz NLOZQJZPJJTADO-UHFFFAOYSA-N 1 0 453.442 3.518 20 0 JHADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NCc2ccc(F)cc2Br)c1 ZINC001308400236 1070369864 /nfs/dbraw/zinc/36/98/64/1070369864.db2.gz WUESUFIRQMVYNQ-UHFFFAOYSA-N 1 0 458.397 3.820 20 0 JHADRO CCOCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001314462352 1070370266 /nfs/dbraw/zinc/37/02/66/1070370266.db2.gz MDNXTHBHUXQIHS-JOCHJYFZSA-N 1 0 465.646 3.667 20 0 JHADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC001308404557 1070370951 /nfs/dbraw/zinc/37/09/51/1070370951.db2.gz INFFOVNSVKQXJA-AWEZNQCLSA-N 1 0 453.343 3.615 20 0 JHADRO CN(CCC(F)(F)F)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)s1)c1ccc(Cl)cc1 ZINC001308405789 1070371546 /nfs/dbraw/zinc/37/15/46/1070371546.db2.gz ZCRCTXOJIWYELP-HNNXBMFYSA-N 1 0 455.955 3.764 20 0 JHADRO O[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)CN1CCc2ccccc2C1 ZINC001308412445 1070372272 /nfs/dbraw/zinc/37/22/72/1070372272.db2.gz CHQJIRXJNMRBEI-QGZVFWFLSA-N 1 0 459.306 3.857 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001308412119 1070372520 /nfs/dbraw/zinc/37/25/20/1070372520.db2.gz PJFXWIPNTWTZJQ-JXHRLWIKSA-N 1 0 473.593 3.584 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001313449238 1070373691 /nfs/dbraw/zinc/37/36/91/1070373691.db2.gz WHFMNTBLEBHCGN-NNWRFLSQSA-N 1 0 488.702 3.695 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314464876 1070375375 /nfs/dbraw/zinc/37/53/75/1070375375.db2.gz QMOFBGQRXSEAES-FQEVSTJZSA-N 1 0 451.619 3.928 20 0 JHADRO O=C1CN(CCC[NH2+]Cc2ccccc2Oc2ccc(Cl)cc2Br)CCN1 ZINC001308448526 1070376731 /nfs/dbraw/zinc/37/67/31/1070376731.db2.gz JTAVCISYAMWTQD-UHFFFAOYSA-N 1 0 452.780 3.806 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(Cl)ccc1OC ZINC001313450165 1070376782 /nfs/dbraw/zinc/37/67/82/1070376782.db2.gz LJYLIPLIGSEUOZ-IBGZPJMESA-N 1 0 455.994 3.908 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313450185 1070377231 /nfs/dbraw/zinc/37/72/31/1070377231.db2.gz LZCDYRDVRDVZID-UXHICEINSA-N 1 0 471.650 3.604 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001313450374 1070377499 /nfs/dbraw/zinc/37/74/99/1070377499.db2.gz KGFOQJKVWQHMOQ-NRFANRHFSA-N 1 0 458.676 3.765 20 0 JHADRO CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1CC[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC001308455152 1070377955 /nfs/dbraw/zinc/37/79/55/1070377955.db2.gz DKVMMDXVBLENIS-INIZCTEOSA-N 1 0 451.614 3.632 20 0 JHADRO CCOc1c(OC)cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1OC ZINC001308465384 1070379201 /nfs/dbraw/zinc/37/92/01/1070379201.db2.gz VYSHSCGQUVBVBK-JOCHJYFZSA-N 1 0 450.373 3.875 20 0 JHADRO CCOCCN(CC)c1nnc(-c2cc(C)nc3ccccc32)n1CC[NH+]1CCSCC1 ZINC001314473578 1070384364 /nfs/dbraw/zinc/38/43/64/1070384364.db2.gz CQGFRUGUYTZFMH-UHFFFAOYSA-N 1 0 454.644 3.713 20 0 JHADRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cc(Cl)cc(Cl)c3OCCN3CCOCC3)O2)CO1 ZINC001308525446 1070385735 /nfs/dbraw/zinc/38/57/35/1070385735.db2.gz JVJJQRCQTDIVNS-ZWDAVXSWSA-N 1 0 459.414 3.521 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001313453203 1070385064 /nfs/dbraw/zinc/38/50/64/1070385064.db2.gz UAIFJULDFVXYDI-VQTJNVASSA-N 1 0 483.583 3.562 20 0 JHADRO CCCn1nc(-c2nnc(N(C)C3CCC3)n2CC[N@H+](C)[C@@H](C)CC)c2ccccc2c1=O ZINC001313453805 1070386233 /nfs/dbraw/zinc/38/62/33/1070386233.db2.gz VPCZCUXIERAQGY-SFHVURJKSA-N 1 0 451.619 3.784 20 0 JHADRO CCCn1nc(-c2nnc(N(C)[C@H]3CCSC3)n2CC[N@H+](C)[C@@H](C)CC)c2ccccc2c1=O ZINC001313453866 1070386992 /nfs/dbraw/zinc/38/69/92/1070386992.db2.gz XHRZBJGAFBPPGO-OALUTQOASA-N 1 0 483.686 3.737 20 0 JHADRO CCCn1nc(-c2nnc(N(CC)CC)n2CC(C)(C)[NH+]2CCC(OC)CC2)c2ccccc2c1=O ZINC001313454366 1070388594 /nfs/dbraw/zinc/38/85/94/1070388594.db2.gz LEZFEYKNXXYIJA-UHFFFAOYSA-N 1 0 495.672 3.801 20 0 JHADRO CCCn1nc(-c2nnc(N3CCC(F)(F)C3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313455265 1070391989 /nfs/dbraw/zinc/39/19/89/1070391989.db2.gz LFYICOLRFHXWGD-SFHVURJKSA-N 1 0 487.599 3.887 20 0 JHADRO CCCNC(=O)c1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001313455883 1070393956 /nfs/dbraw/zinc/39/39/56/1070393956.db2.gz MBAYAMKLPFHPLA-UHFFFAOYSA-N 1 0 454.663 3.975 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)C1 ZINC001308578016 1070394170 /nfs/dbraw/zinc/39/41/70/1070394170.db2.gz RPMNOLFPKMOIHC-OAQYLSRUSA-N 1 0 457.662 3.528 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001313457318 1070398527 /nfs/dbraw/zinc/39/85/27/1070398527.db2.gz CKIUXMZLAMNSLU-UNMCSNQZSA-N 1 0 498.672 3.579 20 0 JHADRO C[N@H+](CCCOc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC001308612089 1070400796 /nfs/dbraw/zinc/40/07/96/1070400796.db2.gz LJSHRQUCTXEMEC-SFHVURJKSA-N 1 0 454.011 3.804 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001313457364 1070399256 /nfs/dbraw/zinc/39/92/56/1070399256.db2.gz DBDANQIDFJAVHD-DHIUTWEWSA-N 1 0 452.647 3.809 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc([C@H](C)CC)n2CC2([NH+]3CCSCC3)CCCC2)C1 ZINC001313457809 1070399640 /nfs/dbraw/zinc/39/96/40/1070399640.db2.gz HEJAVIDCVVQIBI-RTWAWAEBSA-N 1 0 476.735 3.896 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2CC2([NH+]3CCSCC3)CCCC2)C1 ZINC001313458205 1070401436 /nfs/dbraw/zinc/40/14/36/1070401436.db2.gz STRLXMGADXOCKV-FQEVSTJZSA-N 1 0 462.708 3.506 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001313458069 1070401515 /nfs/dbraw/zinc/40/15/15/1070401515.db2.gz IBPPERUNOOQIKV-CEXWTWQISA-N 1 0 477.053 3.764 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cnc4c(F)cccc4c3)C2)CC1 ZINC001308613144 1070401808 /nfs/dbraw/zinc/40/18/08/1070401808.db2.gz CDMASANOJNWJFR-HXUWFJFHSA-N 1 0 456.562 3.665 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001313458437 1070403033 /nfs/dbraw/zinc/40/30/33/1070403033.db2.gz BNKXICIDMVTFPO-GMAHTHKFSA-N 1 0 482.673 3.817 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](OC)[C@H](C)CC)c2ccccc2c1=O ZINC001313459076 1070405198 /nfs/dbraw/zinc/40/51/98/1070405198.db2.gz JDFAGUMTKMQBED-OFNKIYASSA-N 1 0 495.672 3.657 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CCOc2ccc(F)c(F)c2)C[C@@H]1CC ZINC001314494401 1070410127 /nfs/dbraw/zinc/41/01/27/1070410127.db2.gz QULQPDRMWVHHDF-SFHVURJKSA-N 1 0 465.589 3.870 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(F)cc2F)C[C@H]1CC ZINC001314494834 1070410992 /nfs/dbraw/zinc/41/09/92/1070410992.db2.gz CFASJUKWTOSFKV-HXUWFJFHSA-N 1 0 456.541 3.604 20 0 JHADRO COC(=O)c1ccc(COc2ccc(C[NH+]3CCC(OC[C@@H]4CCOC4)CC3)cc2OC)o1 ZINC001308633991 1070407587 /nfs/dbraw/zinc/40/75/87/1070407587.db2.gz BLVPXSCMUOPMQA-LJQANCHMSA-N 1 0 459.539 3.671 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2CCc2ccccc2F)C[C@@H]1CC ZINC001314494896 1070411903 /nfs/dbraw/zinc/41/19/03/1070411903.db2.gz CWTQOWSACDNUIB-QFIPXVFZSA-N 1 0 452.578 3.659 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(C)(C)COCC)c2ccccc2c1=O ZINC001313461626 1070417372 /nfs/dbraw/zinc/41/73/72/1070417372.db2.gz SFMMKSRYCUSXIH-UHFFFAOYSA-N 1 0 495.672 3.658 20 0 JHADRO CCOC(=O)Cn1cc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2cccnc2)n1 ZINC001308670390 1070415018 /nfs/dbraw/zinc/41/50/18/1070415018.db2.gz OLBWAERVBOJCLW-PKTZIBPZSA-N 1 0 452.530 3.999 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)C2CCCCC2)C[C@H]1CC ZINC001314495841 1070416233 /nfs/dbraw/zinc/41/62/33/1070416233.db2.gz KNQZKBCTUDLONV-GJZUVCINSA-N 1 0 472.678 3.552 20 0 JHADRO COC(=O)[C@@H](C)Oc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC001308681472 1070417704 /nfs/dbraw/zinc/41/77/04/1070417704.db2.gz AXGQIYCURKMSKA-YLJYHZDGSA-N 1 0 454.571 3.858 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[N@H+](C)C(C)C)C1 ZINC001313462013 1070418703 /nfs/dbraw/zinc/41/87/03/1070418703.db2.gz LSSFYPSOHHYFGF-OAQYLSRUSA-N 1 0 479.629 3.683 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)cc2)C[C@@H]1CC ZINC001314497531 1070420510 /nfs/dbraw/zinc/42/05/10/1070420510.db2.gz AHMTXBPHOBHMRJ-QHCPKHFHSA-N 1 0 486.064 3.779 20 0 JHADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC001308707913 1070422782 /nfs/dbraw/zinc/42/27/82/1070422782.db2.gz REABRVWYRKDXSL-XUVXKRRUSA-N 1 0 454.592 3.744 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(C3CCC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001313464135 1070428153 /nfs/dbraw/zinc/42/81/53/1070428153.db2.gz RPKYGHCJIJGLPC-DHIUTWEWSA-N 1 0 452.647 3.900 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C3CCC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001313464136 1070428189 /nfs/dbraw/zinc/42/81/89/1070428189.db2.gz RPKYGHCJIJGLPC-GOTSBHOMSA-N 1 0 452.647 3.900 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CSCCS2)C[C@H]1CC ZINC001314499311 1070427393 /nfs/dbraw/zinc/42/73/93/1070427393.db2.gz XPFRKSPDNAUYPN-NHCUHLMSSA-N 1 0 467.749 3.797 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CSCCS2)C[C@@H]1CC ZINC001314499927 1070428719 /nfs/dbraw/zinc/42/87/19/1070428719.db2.gz DVXDFBHBUUXSJR-OALUTQOASA-N 1 0 455.738 3.652 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2sccc2C)C[C@H]1CC ZINC001314500006 1070428917 /nfs/dbraw/zinc/42/89/17/1070428917.db2.gz OQHNXZADDBLQKZ-OAQYLSRUSA-N 1 0 454.644 3.619 20 0 JHADRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC001308752198 1070431040 /nfs/dbraw/zinc/43/10/40/1070431040.db2.gz YXIFWKYEDWFWMY-AQFXKWCLSA-N 1 0 451.489 3.517 20 0 JHADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CCn1cc(Br)cn1 ZINC001308755533 1070431897 /nfs/dbraw/zinc/43/18/97/1070431897.db2.gz UCIICJZDZJDWRD-LLVKDONJSA-N 1 0 457.394 3.508 20 0 JHADRO CCOCCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001314500830 1070432272 /nfs/dbraw/zinc/43/22/72/1070432272.db2.gz LGGLMJLJCPEZLX-BHDDXSALSA-N 1 0 477.694 3.560 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)C1(C)C ZINC001308761860 1070432564 /nfs/dbraw/zinc/43/25/64/1070432564.db2.gz FFCAXZCZWGBFBS-RRQZXNHTSA-N 1 0 456.587 3.693 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001313465219 1070432556 /nfs/dbraw/zinc/43/25/56/1070432556.db2.gz GNDNQZIWCJZFHQ-XMMPIXPASA-N 1 0 481.689 3.841 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001313465935 1070435815 /nfs/dbraw/zinc/43/58/15/1070435815.db2.gz QKNPGUKPLNROAH-FDFHNCONSA-N 1 0 460.711 3.977 20 0 JHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC001308775992 1070436677 /nfs/dbraw/zinc/43/66/77/1070436677.db2.gz CIVJWVOUKWLERE-YYDVJCTNSA-N 1 0 453.539 3.720 20 0 JHADRO C[NH+](C)Cc1ccc(CN2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c2c1OC(F)(F)O2 ZINC001308793066 1070438611 /nfs/dbraw/zinc/43/86/11/1070438611.db2.gz NHGDDOLYMZQISI-YJBOKZPZSA-N 1 0 453.530 3.901 20 0 JHADRO CCc1oc(C[NH+]2CCC([C@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)cc1C(=O)OC ZINC001308806332 1070441196 /nfs/dbraw/zinc/44/11/96/1070441196.db2.gz SXFNJBZJUIZQGK-TZIWHRDSSA-N 1 0 450.576 3.913 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001313467207 1070441900 /nfs/dbraw/zinc/44/19/00/1070441900.db2.gz ZRCLNHALOKXDRX-ZLNRFVROSA-N 1 0 474.694 3.630 20 0 JHADRO COC(=O)c1cc(Br)oc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001308812833 1070442085 /nfs/dbraw/zinc/44/20/85/1070442085.db2.gz ZRIZIQKKHVHXHI-MGPQQGTHSA-N 1 0 457.365 3.954 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCC(C)CC2)C1 ZINC001313467557 1070443923 /nfs/dbraw/zinc/44/39/23/1070443923.db2.gz ZIEFJBRFNCMSPK-DEOSSOPVSA-N 1 0 466.674 3.652 20 0 JHADRO C[C@@H]([NH2+]Cc1c(CNC(=O)OC(C)(C)C)cnn1C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001308839809 1070445949 /nfs/dbraw/zinc/44/59/49/1070445949.db2.gz HFHORFAXSDHFKG-BPQIPLTHSA-N 1 0 450.624 3.927 20 0 JHADRO CC[NH+](CC)CCNC(=O)c1ccc(NC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)cc1 ZINC001308845997 1070447533 /nfs/dbraw/zinc/44/75/33/1070447533.db2.gz XIWNZEXICRBFTR-IBGZPJMESA-N 1 0 454.562 3.815 20 0 JHADRO CNc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 ZINC001308872876 1070452485 /nfs/dbraw/zinc/45/24/85/1070452485.db2.gz IVGBQWVIMIUPJY-HXUWFJFHSA-N 1 0 454.619 3.888 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001313469578 1070453672 /nfs/dbraw/zinc/45/36/72/1070453672.db2.gz XJOMVTIKPIEKFP-UHFFFAOYSA-N 1 0 452.647 3.734 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313469574 1070453694 /nfs/dbraw/zinc/45/36/94/1070453694.db2.gz XGWOQBGHITUSJT-SFTDATJTSA-N 1 0 482.673 3.817 20 0 JHADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001308885084 1070454114 /nfs/dbraw/zinc/45/41/14/1070454114.db2.gz XFHUVXBSXGXTRZ-UHFFFAOYSA-N 1 0 454.596 3.548 20 0 JHADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cnn1C ZINC001308952849 1070465481 /nfs/dbraw/zinc/46/54/81/1070465481.db2.gz NOFFICFHVFTEQB-QKNQBKEWSA-N 1 0 479.666 3.695 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314508874 1070460899 /nfs/dbraw/zinc/46/08/99/1070460899.db2.gz JSVJKQFPSHKYPC-TZIWHRDSSA-N 1 0 473.687 3.777 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001314509639 1070462707 /nfs/dbraw/zinc/46/27/07/1070462707.db2.gz PZBXBWRXFMVTFH-UHFFFAOYSA-N 1 0 477.650 3.610 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001313471876 1070464403 /nfs/dbraw/zinc/46/44/03/1070464403.db2.gz SMFYHUUDMDTYLC-FQEVSTJZSA-N 1 0 477.657 3.966 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313472585 1070467270 /nfs/dbraw/zinc/46/72/70/1070467270.db2.gz OFQRENCKAYKEGR-OYRHEFFESA-N 1 0 488.721 3.641 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001313473037 1070469317 /nfs/dbraw/zinc/46/93/17/1070469317.db2.gz XJZCFGGIVJFKLW-OAQYLSRUSA-N 1 0 458.695 3.875 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001313473337 1070470004 /nfs/dbraw/zinc/47/00/04/1070470004.db2.gz QWRMWOHSIIAKFL-REWPJTCUSA-N 1 0 482.673 3.654 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001313473257 1070470019 /nfs/dbraw/zinc/47/00/19/1070470019.db2.gz XZJRCHDDPNMSRM-DEOSSOPVSA-N 1 0 466.674 3.680 20 0 JHADRO CCCNC(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001313475406 1070476079 /nfs/dbraw/zinc/47/60/79/1070476079.db2.gz FFAKOJGNBFJRSD-IBGZPJMESA-N 1 0 475.037 3.588 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[N@H+](C)C(C)C ZINC001314513802 1070480647 /nfs/dbraw/zinc/48/06/47/1070480647.db2.gz VIBWMTZFMWBCQJ-ZWKOTPCHSA-N 1 0 481.732 3.731 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[N@H+](C)C(C)C ZINC001314513800 1070480726 /nfs/dbraw/zinc/48/07/26/1070480726.db2.gz VIBWMTZFMWBCQJ-ROUUACIJSA-N 1 0 481.732 3.731 20 0 JHADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1OC ZINC001309010583 1070481813 /nfs/dbraw/zinc/48/18/13/1070481813.db2.gz IDJGOXOOKCTYGW-UHFFFAOYSA-N 1 0 459.008 3.602 20 0 JHADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1ccc(Br)c(F)c1)Cc1ccccc1 ZINC001309032790 1070497630 /nfs/dbraw/zinc/49/76/30/1070497630.db2.gz VXMPSIUITHQSLF-GOSISDBHSA-N 1 0 457.409 3.961 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314519107 1070501232 /nfs/dbraw/zinc/50/12/32/1070501232.db2.gz SPNJDQKZDUVHAN-QYZOEREBSA-N 1 0 482.094 3.978 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001314519711 1070502593 /nfs/dbraw/zinc/50/25/93/1070502593.db2.gz XWWYWXQSBSYLHL-NHCUHLMSSA-N 1 0 461.676 3.633 20 0 JHADRO Cc1csc(CCNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)n1 ZINC001309044274 1070503619 /nfs/dbraw/zinc/50/36/19/1070503619.db2.gz WUXFFSKSOTVLKY-FCHUYYIVSA-N 1 0 459.612 3.721 20 0 JHADRO CCCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313487810 1070505378 /nfs/dbraw/zinc/50/53/78/1070505378.db2.gz AMQGFYWJKUMQIJ-UHFFFAOYSA-N 1 0 478.588 3.631 20 0 JHADRO CCCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313489848 1070509711 /nfs/dbraw/zinc/50/97/11/1070509711.db2.gz ZWQZJKPXXBIFES-MSOLQXFVSA-N 1 0 481.670 3.822 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001313493245 1070514213 /nfs/dbraw/zinc/51/42/13/1070514213.db2.gz WZIZUKKCIIGANW-NHCUHLMSSA-N 1 0 468.646 3.571 20 0 JHADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001309060996 1070515117 /nfs/dbraw/zinc/51/51/17/1070515117.db2.gz DOPWQRRCOPDSIF-WANZOYLWSA-N 1 0 456.608 3.829 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2CCc2ccn(C)n2)cc1OC ZINC001313502551 1070529075 /nfs/dbraw/zinc/52/90/75/1070529075.db2.gz MBYTTXRAHCEYEP-VQTJNVASSA-N 1 0 481.645 3.638 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2CCc2ccncc2)cc1OC ZINC001313502740 1070530265 /nfs/dbraw/zinc/53/02/65/1070530265.db2.gz DXTZSARHUKUMNF-FQEVSTJZSA-N 1 0 464.614 3.911 20 0 JHADRO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c2ccccc2)CC1 ZINC001309088962 1070532438 /nfs/dbraw/zinc/53/24/38/1070532438.db2.gz YLOGKZPFBPJEHJ-LJQANCHMSA-N 1 0 457.518 3.774 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CC(F)(F)CO2)cc1OC ZINC001313503591 1070534246 /nfs/dbraw/zinc/53/42/46/1070534246.db2.gz KAULTODGCFPSCM-HXUWFJFHSA-N 1 0 493.599 3.945 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2Cc2c(C)nn(C)c2C)cc1OC ZINC001313504099 1070536639 /nfs/dbraw/zinc/53/66/39/1070536639.db2.gz LXJNAFAZMHAPPY-GOSISDBHSA-N 1 0 481.645 3.672 20 0 JHADRO CCOC(=O)c1oc2ccc(S(=O)(=O)NCC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)cc2c1C ZINC001309100034 1070539962 /nfs/dbraw/zinc/53/99/62/1070539962.db2.gz KYUBMNIFDYKTNB-HZPDHXFCSA-N 1 0 450.601 3.953 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2C[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC001313505467 1070541490 /nfs/dbraw/zinc/54/14/90/1070541490.db2.gz YNQVTMNRXFWOQN-QHAWAJNXSA-N 1 0 471.646 3.946 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CC[N@H+](C)C(C)C)cc1OC ZINC001313505913 1070545585 /nfs/dbraw/zinc/54/55/85/1070545585.db2.gz PLJXHSHTDJQGJH-UHFFFAOYSA-N 1 0 480.613 3.746 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCN(C(C)=O)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1OC ZINC001313506392 1070548197 /nfs/dbraw/zinc/54/81/97/1070548197.db2.gz PQZCQBLVOLCBQK-UHFFFAOYSA-N 1 0 498.672 3.676 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CC2([NH+](C)C)CCOCC2)cc1OC ZINC001313506860 1070550613 /nfs/dbraw/zinc/55/06/13/1070550613.db2.gz WIQVITYWKFHXAU-UHFFFAOYSA-N 1 0 479.572 3.699 20 0 JHADRO COC(=O)C1(c2ccc(S(=O)(=O)NCc3cccc(C[NH+]4CCC(C)CC4)c3)cc2)CC1 ZINC001309136998 1070560941 /nfs/dbraw/zinc/56/09/41/1070560941.db2.gz CMWFJKUHFAZPQA-UHFFFAOYSA-N 1 0 456.608 3.602 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC001313513056 1070566014 /nfs/dbraw/zinc/56/60/14/1070566014.db2.gz CWHMMTRTHBJDSJ-CEYNDMKZSA-N 1 0 489.686 3.793 20 0 JHADRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC001309151686 1070571026 /nfs/dbraw/zinc/57/10/26/1070571026.db2.gz RTLLCJNMQMXJSH-UHFFFAOYSA-N 1 0 459.381 3.869 20 0 JHADRO CC[S@](=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001314569964 1070575879 /nfs/dbraw/zinc/57/58/79/1070575879.db2.gz RFVXHPRIKIPLID-HKBQPEDESA-N 1 0 464.079 3.746 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(C(C)(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC001314575520 1070582625 /nfs/dbraw/zinc/58/26/25/1070582625.db2.gz BLVBPOSKIXODLB-KRWDZBQOSA-N 1 0 479.695 3.644 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001314576756 1070584469 /nfs/dbraw/zinc/58/44/69/1070584469.db2.gz KKSNJGRRIGWUMB-MRXNPFEDSA-N 1 0 465.668 3.520 20 0 JHADRO CC[S@@](=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001314577243 1070586129 /nfs/dbraw/zinc/58/61/29/1070586129.db2.gz KNCZAYWAJYBZJQ-XSJBNIOMSA-N 1 0 487.714 3.594 20 0 JHADRO CC[S@@](=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001314580098 1070591217 /nfs/dbraw/zinc/59/12/17/1070591217.db2.gz QZIBKRRPLIIBHU-GMWXTNTRSA-N 1 0 487.714 3.988 20 0 JHADRO CC[S@](=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001314580099 1070591444 /nfs/dbraw/zinc/59/14/44/1070591444.db2.gz QZIBKRRPLIIBHU-JXNPFXPLSA-N 1 0 487.714 3.988 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@@H+]2CC)n1 ZINC001314582742 1070596640 /nfs/dbraw/zinc/59/66/40/1070596640.db2.gz NUCZTCZFXPOUSJ-DLBZAZTESA-N 1 0 458.636 3.601 20 0 JHADRO O=S(=O)(c1ccc(Br)cc1C(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001309199013 1070599602 /nfs/dbraw/zinc/59/96/02/1070599602.db2.gz ZFHXMHSJQVRWLT-CYBMUJFWSA-N 1 0 455.340 3.964 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[NH+]2CCSCC2)CC1 ZINC001313525924 1070599594 /nfs/dbraw/zinc/59/95/94/1070599594.db2.gz HCKMDSUNTLNPDW-FQEVSTJZSA-N 1 0 459.660 3.788 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[N@@H+]2CC)n1 ZINC001314583074 1070597981 /nfs/dbraw/zinc/59/79/81/1070597981.db2.gz OODFVDAXZYFIQN-QZTJIDSGSA-N 1 0 470.647 3.966 20 0 JHADRO CCSc1cc(Cn2c(C(C)C)nnc2N2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccn1 ZINC001314584921 1070603124 /nfs/dbraw/zinc/60/31/24/1070603124.db2.gz ZCSTWMDQEADMBV-UHFFFAOYSA-N 1 0 471.719 3.952 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001313529606 1070610135 /nfs/dbraw/zinc/61/01/35/1070610135.db2.gz SXGYTIJLMTUKCS-RTWAWAEBSA-N 1 0 459.610 3.838 20 0 JHADRO CCSc1cc(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)ccn1 ZINC001314586550 1070608875 /nfs/dbraw/zinc/60/88/75/1070608875.db2.gz YBPPARNIKXIFBX-LJQANCHMSA-N 1 0 484.645 3.720 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001314589258 1070615605 /nfs/dbraw/zinc/61/56/05/1070615605.db2.gz PSRZJXZOVJLBGP-FGZHOGPDSA-N 1 0 470.687 3.734 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001313532502 1070618168 /nfs/dbraw/zinc/61/81/68/1070618168.db2.gz WISPAZJQKIJCND-WXFUMESZSA-N 1 0 491.721 3.829 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)[NH+](C)C)C1 ZINC001314591186 1070620551 /nfs/dbraw/zinc/62/05/51/1070620551.db2.gz DPVYDYROUCLIFQ-FXAWDEMLSA-N 1 0 479.094 3.924 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001314593520 1070628189 /nfs/dbraw/zinc/62/81/89/1070628189.db2.gz XMEJCHOEJNBMDE-PXDATVDWSA-N 1 0 495.734 3.542 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C)n3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001314594995 1070634330 /nfs/dbraw/zinc/63/43/30/1070634330.db2.gz HPRHAXINQGNFKG-CEWLAPEOSA-N 1 0 458.676 3.727 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(C)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001313542494 1070636421 /nfs/dbraw/zinc/63/64/21/1070636421.db2.gz LJJJLONHAOCHBY-UHFFFAOYSA-N 1 0 486.661 3.801 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3noc4c3COCC4)n2CC[N@H+](CC)C(C)C)C1 ZINC001314598215 1070643228 /nfs/dbraw/zinc/64/32/28/1070643228.db2.gz LFNNJCXJIQCOIJ-ZWKOTPCHSA-N 1 0 462.664 3.847 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001313545375 1070650068 /nfs/dbraw/zinc/65/00/68/1070650068.db2.gz AUVIEMBKJOTJJJ-UHFFFAOYSA-N 1 0 490.599 3.727 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001314601071 1070650028 /nfs/dbraw/zinc/65/00/28/1070650028.db2.gz QBPSSPDEGGLKDH-FGZHOGPDSA-N 1 0 470.687 3.929 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314601666 1070653362 /nfs/dbraw/zinc/65/33/62/1070653362.db2.gz CAEHOWFXFHUURO-HBMCJLEFSA-N 1 0 462.708 3.996 20 0 JHADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(Br)cc(F)cc1Br ZINC001309262712 1070653866 /nfs/dbraw/zinc/65/38/66/1070653866.db2.gz PXZMBMAEVSJQMO-LLVKDONJSA-N 1 0 458.191 3.503 20 0 JHADRO CCSCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001314611484 1070675697 /nfs/dbraw/zinc/67/56/97/1070675697.db2.gz MDMRGRPPAVXIDQ-UHFFFAOYSA-N 1 0 477.078 3.679 20 0 JHADRO CCCOc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1C(C)(C)C ZINC001309308839 1070688094 /nfs/dbraw/zinc/68/80/94/1070688094.db2.gz HSEVDFMCUHJMFM-YADHBBJMSA-N 1 0 452.661 3.819 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)C)nnc2N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 ZINC001313574606 1070689079 /nfs/dbraw/zinc/68/90/79/1070689079.db2.gz KDRXRLZKAKGZNZ-UZINWLIJSA-N 1 0 455.647 3.749 20 0 JHADRO CCSCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001314613929 1070681864 /nfs/dbraw/zinc/68/18/64/1070681864.db2.gz PYHUIYNYBLPVNY-UHFFFAOYSA-N 1 0 465.067 3.685 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](OC)C2)c1 ZINC001313574368 1070689702 /nfs/dbraw/zinc/68/97/02/1070689702.db2.gz ZQFFEHUMYAHCHB-LJQANCHMSA-N 1 0 473.419 3.761 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)O[C@H](COC)C2)c1 ZINC001313574734 1070689936 /nfs/dbraw/zinc/68/99/36/1070689936.db2.gz LOYKMNCZVJOTRJ-HKTJVKLFSA-N 1 0 499.700 3.937 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(N3CC[C@H](C)[C@H](OC)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001313575840 1070691214 /nfs/dbraw/zinc/69/12/14/1070691214.db2.gz SXDQHVZYIIQIAG-WBWMCNGVSA-N 1 0 485.673 3.680 20 0 JHADRO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC001313580696 1070700410 /nfs/dbraw/zinc/70/04/10/1070700410.db2.gz AVXKFMZBWYNWQY-RBUKOAKNSA-N 1 0 475.707 3.902 20 0 JHADRO CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CC[NH+](C)CC1)[C@@H](C)C1CCC1 ZINC001313576064 1070692600 /nfs/dbraw/zinc/69/26/00/1070692600.db2.gz CLKMIOXIJWJTFT-SFHVURJKSA-N 1 0 471.675 3.768 20 0 JHADRO CCN(c1nnc(-c2cccc(Cl)c2)n1CCC[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313582861 1070704692 /nfs/dbraw/zinc/70/46/92/1070704692.db2.gz AWAFMYLTSHQJND-OAQYLSRUSA-N 1 0 480.078 3.734 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314623512 1070705168 /nfs/dbraw/zinc/70/51/68/1070705168.db2.gz DVNCMZCRXZHOGU-HXUWFJFHSA-N 1 0 485.677 3.994 20 0 JHADRO CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC[N@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313584958 1070709535 /nfs/dbraw/zinc/70/95/35/1070709535.db2.gz RDMCHFSMPNYWCF-LJQANCHMSA-N 1 0 479.716 3.629 20 0 JHADRO CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)C[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313585727 1070710447 /nfs/dbraw/zinc/71/04/47/1070710447.db2.gz CMBSSYQXFZTLQN-NFBKMPQASA-N 1 0 487.714 3.988 20 0 JHADRO CN(C)C(=O)C1(Cn2c(CC3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCCC1 ZINC001314625605 1070713581 /nfs/dbraw/zinc/71/35/81/1070713581.db2.gz IGNSOYVMZQQRJW-UHFFFAOYSA-N 1 0 458.695 3.970 20 0 JHADRO O=S(=O)(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1csc(-c2ccccc2)n1 ZINC001309355049 1070717750 /nfs/dbraw/zinc/71/77/50/1070717750.db2.gz SOZGSXFLBRSYIU-UHFFFAOYSA-N 1 0 457.621 3.806 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(C2CCCC2)nnc1N(C)CCc1cccs1 ZINC001314628713 1070724732 /nfs/dbraw/zinc/72/47/32/1070724732.db2.gz KHXPPRHHJHFOOT-NRFANRHFSA-N 1 0 458.676 3.619 20 0 JHADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc(Br)ccc1Br ZINC001309386103 1070738812 /nfs/dbraw/zinc/73/88/12/1070738812.db2.gz BUINTHBTRPHGHG-UHFFFAOYSA-N 1 0 456.244 3.954 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSCC1)c1ccsc1 ZINC001314647224 1070748773 /nfs/dbraw/zinc/74/87/73/1070748773.db2.gz ODPMROUSHLEBPY-IBGZPJMESA-N 1 0 491.086 3.779 20 0 JHADRO CN(C)C(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001314637728 1070742035 /nfs/dbraw/zinc/74/20/35/1070742035.db2.gz WMKPWCCPYGNYGJ-UHFFFAOYSA-N 1 0 456.610 3.655 20 0 JHADRO CCN(c1nnc(COc2ccc(Br)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC001313620114 1070746269 /nfs/dbraw/zinc/74/62/69/1070746269.db2.gz WDLFAAADQRRQJX-UHFFFAOYSA-N 1 0 493.494 3.880 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)F)CC1)c1cccs1 ZINC001314647762 1070750633 /nfs/dbraw/zinc/75/06/33/1070750633.db2.gz DQAJKCMNYORHHH-GOSISDBHSA-N 1 0 464.561 3.836 20 0 JHADRO CN(C)C(=O)Nc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001314647804 1070750728 /nfs/dbraw/zinc/75/07/28/1070750728.db2.gz VDTZXPYYAPSAMD-UHFFFAOYSA-N 1 0 464.618 3.726 20 0 JHADRO CN(c1nnc([C@H]2CCCCO2)n1C[C@H](C1CC1)[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314650274 1070757907 /nfs/dbraw/zinc/75/79/07/1070757907.db2.gz HINXJXSDGIVUID-NHCUHLMSSA-N 1 0 476.666 3.696 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)C1CC1 ZINC001314648389 1070752521 /nfs/dbraw/zinc/75/25/21/1070752521.db2.gz JGOVPJBSGYNYGK-UWJYYQICSA-N 1 0 486.970 3.863 20 0 JHADRO Cn1cccc1-c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314648654 1070753136 /nfs/dbraw/zinc/75/31/36/1070753136.db2.gz MNOFLJKNVNPFRW-VXKWHMMOSA-N 1 0 454.594 3.977 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC=C(Br)C1)c1ccsc1 ZINC001314648850 1070753708 /nfs/dbraw/zinc/75/37/08/1070753708.db2.gz JMFMLTZOZWSMCU-KRWDZBQOSA-N 1 0 460.405 3.588 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC001314649346 1070755345 /nfs/dbraw/zinc/75/53/45/1070755345.db2.gz VPIFNPBSXBLGNF-QUCCMNQESA-N 1 0 483.642 3.808 20 0 JHADRO CN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001314649363 1070755403 /nfs/dbraw/zinc/75/54/03/1070755403.db2.gz VZHHKGTVAFPMKT-NQIIRXRSSA-N 1 0 498.068 3.871 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC=C(Br)C1)c1cccs1 ZINC001314649382 1070755616 /nfs/dbraw/zinc/75/56/16/1070755616.db2.gz AHHPRGNHLHBGSF-HOCLYGCPSA-N 1 0 452.422 3.635 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1cccc(F)c1 ZINC001314649807 1070756708 /nfs/dbraw/zinc/75/67/08/1070756708.db2.gz DRLGVWLZEBQYIR-RTBURBONSA-N 1 0 485.526 3.855 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1cccs1 ZINC001314650807 1070759257 /nfs/dbraw/zinc/75/92/57/1070759257.db2.gz UFAKNWBWJRTMRG-LAUBAEHRSA-N 1 0 495.575 3.629 20 0 JHADRO O=S(=O)(CCC[NH+]1CCCC1)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC001309420620 1070759287 /nfs/dbraw/zinc/75/92/87/1070759287.db2.gz OBOGEWCXHIHHJO-HXUWFJFHSA-N 1 0 452.418 3.533 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(F)(F)F)CC1)c1cccs1 ZINC001314651156 1070760798 /nfs/dbraw/zinc/76/07/98/1070760798.db2.gz APYDZSJUPFXWOV-DLBZAZTESA-N 1 0 472.581 3.568 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001313630440 1070761041 /nfs/dbraw/zinc/76/10/41/1070761041.db2.gz MPQNLXBPSAMDLZ-HXUWFJFHSA-N 1 0 475.707 3.841 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC(F)(F)F)CC2CC2)CCSC1 ZINC001314651887 1070761886 /nfs/dbraw/zinc/76/18/86/1070761886.db2.gz FCPWMXODDAJCGB-OAQYLSRUSA-N 1 0 497.591 3.532 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(N)=O)C1)C1CCCCC1 ZINC001314652127 1070762630 /nfs/dbraw/zinc/76/26/30/1070762630.db2.gz DIVPXDNRDWPZGX-URXFXBBRSA-N 1 0 496.700 3.977 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001314652326 1070762947 /nfs/dbraw/zinc/76/29/47/1070762947.db2.gz YAPHBOIMWANUFN-MJGOQNOKSA-N 1 0 469.590 3.520 20 0 JHADRO C[NH+](C)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C(F)(F)F)CC2)CCCCC1 ZINC001314652495 1070762970 /nfs/dbraw/zinc/76/29/70/1070762970.db2.gz IGJAACHEGVAZCN-UHFFFAOYSA-N 1 0 456.557 3.557 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CCCO)CC2)CCCC1 ZINC001314652667 1070764047 /nfs/dbraw/zinc/76/40/47/1070764047.db2.gz INRMNWMXJJRCEF-UHFFFAOYSA-N 1 0 479.467 3.899 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CCOCC1 ZINC001314653028 1070764752 /nfs/dbraw/zinc/76/47/52/1070764752.db2.gz JWZBHWBYVJAKFH-LJQANCHMSA-N 1 0 459.610 3.979 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C2CCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)c1ccccc1 ZINC001314653176 1070765340 /nfs/dbraw/zinc/76/53/40/1070765340.db2.gz XZWURFSABFIYHQ-IBGZPJMESA-N 1 0 468.543 3.871 20 0 JHADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cc(Br)cc(C(F)(F)F)c3)C2)CC1 ZINC001309446029 1070775819 /nfs/dbraw/zinc/77/58/19/1070775819.db2.gz WGZKXCZKCGEZBM-UHFFFAOYSA-N 1 0 455.340 3.964 20 0 JHADRO CC(=O)N1CCc2cc(S(=O)(=O)NCC[NH+]3CCC4(CCCCC4)CC3)c(Cl)cc21 ZINC001309438210 1070770600 /nfs/dbraw/zinc/77/06/00/1070770600.db2.gz UBUYWEKTDMUTCM-UHFFFAOYSA-N 1 0 454.036 3.574 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1cccc(F)c1 ZINC001314655527 1070772571 /nfs/dbraw/zinc/77/25/71/1070772571.db2.gz MGJMJDUMQAFBLV-PKTZIBPZSA-N 1 0 466.605 3.957 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)c1ccc(F)cc1 ZINC001314655505 1070772751 /nfs/dbraw/zinc/77/27/51/1070772751.db2.gz LWICAFOPZVXXKU-VSKRKVRLSA-N 1 0 459.610 3.693 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001314655499 1070772779 /nfs/dbraw/zinc/77/27/79/1070772779.db2.gz LVRIAUSQTYFSQC-JOCHJYFZSA-N 1 0 487.574 3.641 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1cccc(F)c1 ZINC001314655526 1070772992 /nfs/dbraw/zinc/77/29/92/1070772992.db2.gz MGJMJDUMQAFBLV-GOTSBHOMSA-N 1 0 466.605 3.957 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(C3CCCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CCSC1 ZINC001314655678 1070773377 /nfs/dbraw/zinc/77/33/77/1070773377.db2.gz DAIILDKHZXBOCA-LEWJYISDSA-N 1 0 475.625 3.903 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cccc(C)n2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313636905 1070774398 /nfs/dbraw/zinc/77/43/98/1070774398.db2.gz JWHGKNMJWMTRMK-VWLOTQADSA-N 1 0 491.684 3.543 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccsc1 ZINC001314656536 1070774416 /nfs/dbraw/zinc/77/44/16/1070774416.db2.gz PSEMSQKIALHUCC-VXKWHMMOSA-N 1 0 495.697 3.759 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccsc1 ZINC001314656527 1070775106 /nfs/dbraw/zinc/77/51/06/1070775106.db2.gz ZNOLXFQTCZANJG-PXDATVDWSA-N 1 0 466.655 3.520 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccco1 ZINC001314657595 1070777308 /nfs/dbraw/zinc/77/73/08/1070777308.db2.gz YPXIJVKSPBWBEC-KRWDZBQOSA-N 1 0 456.557 3.837 20 0 JHADRO C[NH+](C)C1(Cn2c(CC3CCCC3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CCC1 ZINC001314658341 1070778882 /nfs/dbraw/zinc/77/88/82/1070778882.db2.gz YVIPYTSSYZBHHS-OAQYLSRUSA-N 1 0 458.695 3.874 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313640158 1070784609 /nfs/dbraw/zinc/78/46/09/1070784609.db2.gz LXCZGMZXVHEYGW-ARNLJNQMSA-N 1 0 496.700 3.750 20 0 JHADRO CN(C)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001314662249 1070788869 /nfs/dbraw/zinc/78/88/69/1070788869.db2.gz HVBNBHYVDFDQHV-QFIPXVFZSA-N 1 0 454.663 3.845 20 0 JHADRO Cn1cc(Br)cc1-c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001314662386 1070789287 /nfs/dbraw/zinc/78/92/87/1070789287.db2.gz BBGCXYXLBPZTHV-SFHVURJKSA-N 1 0 493.494 3.887 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001314662540 1070789958 /nfs/dbraw/zinc/78/99/58/1070789958.db2.gz HFXLUEKWIKJJLJ-UXHICEINSA-N 1 0 492.462 3.680 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001314662914 1070790602 /nfs/dbraw/zinc/79/06/02/1070790602.db2.gz MNDATZQQKNZMHR-UHFFFAOYSA-N 1 0 490.599 3.629 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001314663458 1070791757 /nfs/dbraw/zinc/79/17/57/1070791757.db2.gz WPPTUULZPQJARV-CTNGQTDRSA-N 1 0 452.647 3.545 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001313641075 1070786652 /nfs/dbraw/zinc/78/66/52/1070786652.db2.gz RBSRNCAWFKMRAC-ZJSXRUAMSA-N 1 0 465.646 3.669 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(CC3CC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001314667101 1070800838 /nfs/dbraw/zinc/80/08/38/1070800838.db2.gz DXCNGCRRFYHBBM-HSZRJFAPSA-N 1 0 465.564 3.870 20 0 JHADRO CC1CC[NH+](Cc2ccccc2CNS(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC001309473817 1070793512 /nfs/dbraw/zinc/79/35/12/1070793512.db2.gz GIJLGNJRLJXJQW-UHFFFAOYSA-N 1 0 456.381 3.694 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2ccccn2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001313643786 1070794829 /nfs/dbraw/zinc/79/48/29/1070794829.db2.gz GIJMVSPZBITTRZ-UHFFFAOYSA-N 1 0 475.641 3.701 20 0 JHADRO CN(C)c1cccnc1Cn1c(COc2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314664652 1070794982 /nfs/dbraw/zinc/79/49/82/1070794982.db2.gz VRMHLIPEPGLBLJ-UHFFFAOYSA-N 1 0 481.620 3.816 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(OCc2ccccc2F)CC1 ZINC001314664976 1070796041 /nfs/dbraw/zinc/79/60/41/1070796041.db2.gz IKKRXGPXDRSOIO-UHFFFAOYSA-N 1 0 467.593 3.648 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C[NH+](C)C ZINC001314665807 1070797818 /nfs/dbraw/zinc/79/78/18/1070797818.db2.gz HUVVGRGDIZOUJB-UHFFFAOYSA-N 1 0 476.050 3.542 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001314666305 1070798932 /nfs/dbraw/zinc/79/89/32/1070798932.db2.gz SECMKJMYSBIOML-LJQANCHMSA-N 1 0 490.578 3.909 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001314666436 1070799481 /nfs/dbraw/zinc/79/94/81/1070799481.db2.gz RTYGAMFWNBOTAP-XLIONFOSSA-N 1 0 491.105 3.774 20 0 JHADRO CCN(CC)C(=O)CCCn1c([C@H]2CCCCO2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001313644898 1070799670 /nfs/dbraw/zinc/79/96/70/1070799670.db2.gz WVPQFLWKOXKAIU-JOCHJYFZSA-N 1 0 460.667 3.623 20 0 JHADRO CN(Cc1cc(Br)cs1)c1nnc([C@H]2CCOC2)n1CC(C)(C)C[NH+](C)C ZINC001314667463 1070801932 /nfs/dbraw/zinc/80/19/32/1070801932.db2.gz IMTIFMCTYOYLRE-AWEZNQCLSA-N 1 0 456.454 3.830 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001314668139 1070803427 /nfs/dbraw/zinc/80/34/27/1070803427.db2.gz OLNCBSGQPCDJJO-UHFFFAOYSA-N 1 0 470.540 3.762 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(N3CCN(c4cccs4)CC3)nnc2C(C)(C)C)c1 ZINC001314668362 1070804805 /nfs/dbraw/zinc/80/48/05/1070804805.db2.gz HJSZFLZNQHWRDT-UHFFFAOYSA-N 1 0 468.671 3.952 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC(F)(F)F)CC2)c1 ZINC001314668526 1070804834 /nfs/dbraw/zinc/80/48/34/1070804834.db2.gz JJNDVAFRRJCKMH-HXUWFJFHSA-N 1 0 481.563 3.940 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CC(C)(C)OC(C)(C)C2)cc1 ZINC001314669198 1070807525 /nfs/dbraw/zinc/80/75/25/1070807525.db2.gz XRVCAIGAWKFAEF-OAQYLSRUSA-N 1 0 457.619 3.512 20 0 JHADRO Cn1nccc1[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOCC[NH+](C)C)C1 ZINC001314669811 1070809678 /nfs/dbraw/zinc/80/96/78/1070809678.db2.gz DOWWBQCGMWCSHR-QFIPXVFZSA-N 1 0 479.673 3.938 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccs3)CC2)CC1 ZINC001314670030 1070810031 /nfs/dbraw/zinc/81/00/31/1070810031.db2.gz NJVUNUZDCNVJNE-UHFFFAOYSA-N 1 0 473.735 3.528 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CC(C)(C)OC(C)(C)C2)cc1 ZINC001314670121 1070810235 /nfs/dbraw/zinc/81/02/35/1070810235.db2.gz CLHFZNPZUPBFSO-JOCHJYFZSA-N 1 0 485.673 3.749 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001314670888 1070812664 /nfs/dbraw/zinc/81/26/64/1070812664.db2.gz SSAJVGAUXRUJQE-HXUWFJFHSA-N 1 0 484.636 3.983 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CCCC(C)(C)C2)cc1 ZINC001314671110 1070813724 /nfs/dbraw/zinc/81/37/24/1070813724.db2.gz KXMXBAQPTDSBTC-QFIPXVFZSA-N 1 0 455.647 3.982 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2c[nH]c3ccccc32)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001314671696 1070815414 /nfs/dbraw/zinc/81/54/14/1070815414.db2.gz VDAMITWDPMTTAH-INIZCTEOSA-N 1 0 450.509 3.783 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2c[nH]c3ccccc32)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001314671698 1070816207 /nfs/dbraw/zinc/81/62/07/1070816207.db2.gz VDAMITWDPMTTAH-MRXNPFEDSA-N 1 0 450.509 3.783 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC2CCC2)CC1 ZINC001314672134 1070816701 /nfs/dbraw/zinc/81/67/01/1070816701.db2.gz QFLZYPSQKRCDEI-DHIUTWEWSA-N 1 0 460.711 3.707 20 0 JHADRO C[NH+](C)CCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001314672933 1070818829 /nfs/dbraw/zinc/81/88/29/1070818829.db2.gz HAEXJSXRWFMJBX-OAHLLOKOSA-N 1 0 461.479 3.504 20 0 JHADRO C[NH+](C)CCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001314673025 1070819034 /nfs/dbraw/zinc/81/90/34/1070819034.db2.gz IQOXPZMFTZKSJB-DEOSSOPVSA-N 1 0 464.054 3.742 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001313649856 1070819818 /nfs/dbraw/zinc/81/98/18/1070819818.db2.gz ALTDGIPLVVEOMX-UHFFFAOYSA-N 1 0 481.689 3.705 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001313651612 1070826817 /nfs/dbraw/zinc/82/68/17/1070826817.db2.gz HMSBQLAHYLUIQG-XPNTWCBSSA-N 1 0 468.646 3.883 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001313655454 1070844150 /nfs/dbraw/zinc/84/41/50/1070844150.db2.gz NTGZZSKRMWMLHL-RUZDIDTESA-N 1 0 495.716 3.912 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001313655594 1070845391 /nfs/dbraw/zinc/84/53/91/1070845391.db2.gz QEWPWHISBGLIPP-UHFFFAOYSA-N 1 0 495.716 3.769 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001313655962 1070847378 /nfs/dbraw/zinc/84/73/78/1070847378.db2.gz BORHSQSMYRRWMJ-CLOONOSVSA-N 1 0 492.615 3.578 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)OC1CCCC1 ZINC001313656536 1070850372 /nfs/dbraw/zinc/85/03/72/1070850372.db2.gz JFWTVAJWWYSTOM-KRWDZBQOSA-N 1 0 477.679 3.587 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001313656660 1070850968 /nfs/dbraw/zinc/85/09/68/1070850968.db2.gz DXVUISKLIDVKRA-WIYYLYMNSA-N 1 0 459.038 3.920 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001313656573 1070851093 /nfs/dbraw/zinc/85/10/93/1070851093.db2.gz JXFJJLMGNXOHCD-WMZOPIPTSA-N 1 0 458.598 3.788 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001313656572 1070851211 /nfs/dbraw/zinc/85/12/11/1070851211.db2.gz JXFJJLMGNXOHCD-SJLPKXTDSA-N 1 0 458.598 3.788 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313656881 1070852930 /nfs/dbraw/zinc/85/29/30/1070852930.db2.gz HFFLKRRIVRFYIF-CABCVRRESA-N 1 0 499.885 3.910 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1CC[NH+]1CCSCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001314695332 1070858009 /nfs/dbraw/zinc/85/80/09/1070858009.db2.gz YGNIEZWNOXNXOW-UHFFFAOYSA-N 1 0 484.714 3.657 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001313657952 1070858107 /nfs/dbraw/zinc/85/81/07/1070858107.db2.gz WABICGUPEJCOPN-GJJHYRHESA-N 1 0 477.993 3.916 20 0 JHADRO Cc1cccc(F)c1S(=O)(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001309560110 1070858220 /nfs/dbraw/zinc/85/82/20/1070858220.db2.gz CCGIWGBAVYQJRR-UHFFFAOYSA-N 1 0 451.995 3.763 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 ZINC001313658361 1070859320 /nfs/dbraw/zinc/85/93/20/1070859320.db2.gz CRQHUDRPEUUDEL-HXUWFJFHSA-N 1 0 481.620 3.540 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313658951 1070861137 /nfs/dbraw/zinc/86/11/37/1070861137.db2.gz VBXVNEDBCKVGIG-NJYVYQBISA-N 1 0 468.646 3.967 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001313659313 1070862055 /nfs/dbraw/zinc/86/20/55/1070862055.db2.gz ILWTUYJWBDEZOO-OAQYLSRUSA-N 1 0 477.657 3.755 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001313659362 1070862729 /nfs/dbraw/zinc/86/27/29/1070862729.db2.gz JDPORHSWKYSUAJ-SFHVURJKSA-N 1 0 470.568 3.837 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001313660252 1070864654 /nfs/dbraw/zinc/86/46/54/1070864654.db2.gz PEAMVTWJFXHFHN-KRWDZBQOSA-N 1 0 489.093 3.811 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001313660510 1070865661 /nfs/dbraw/zinc/86/56/61/1070865661.db2.gz RWGSMZDGZGMOJQ-QGZVFWFLSA-N 1 0 471.009 3.562 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001313660516 1070865779 /nfs/dbraw/zinc/86/57/79/1070865779.db2.gz RWKCHGIKXAQAQI-OAQYLSRUSA-N 1 0 463.630 3.664 20 0 JHADRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1c(Br)cc(F)cc1Br ZINC001309576855 1070866078 /nfs/dbraw/zinc/86/60/78/1070866078.db2.gz KCADYIUFGMCQKK-UHFFFAOYSA-N 1 0 458.191 3.503 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001313660941 1070866750 /nfs/dbraw/zinc/86/67/50/1070866750.db2.gz UZVLTYZRAYQHJW-AVRDEDQJSA-N 1 0 459.635 3.944 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001313661095 1070867619 /nfs/dbraw/zinc/86/76/19/1070867619.db2.gz WNSNKIOFTZVNEZ-GOSISDBHSA-N 1 0 467.618 3.934 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(CC)(CC)C1 ZINC001313661158 1070867679 /nfs/dbraw/zinc/86/76/79/1070867679.db2.gz DDEJZERFEKAHBV-LJQANCHMSA-N 1 0 465.646 3.939 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001313661887 1070869432 /nfs/dbraw/zinc/86/94/32/1070869432.db2.gz KFUOMZKHXDXCEO-JOCHJYFZSA-N 1 0 481.689 3.998 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2OC)CC1 ZINC001313662326 1070869939 /nfs/dbraw/zinc/86/99/39/1070869939.db2.gz RTZZLSQZAGPZEP-OAQYLSRUSA-N 1 0 463.630 3.714 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCCc2c1cnn2C)c1ccccc1 ZINC001313663800 1070874113 /nfs/dbraw/zinc/87/41/13/1070874113.db2.gz IACZHYYUWIJIFI-UPVQGACJSA-N 1 0 492.672 3.747 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 ZINC001313665867 1070881617 /nfs/dbraw/zinc/88/16/17/1070881617.db2.gz SJVNQOADOOJHPK-OFNKIYASSA-N 1 0 456.635 3.585 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)s1 ZINC001313664885 1070877877 /nfs/dbraw/zinc/87/78/77/1070877877.db2.gz OYZHZUDOXXMRDL-GJZGRUSLSA-N 1 0 456.454 3.973 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1 ZINC001313664842 1070877902 /nfs/dbraw/zinc/87/79/02/1070877902.db2.gz ALOCMFWMUWKURL-AABGKKOBSA-N 1 0 464.655 3.696 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[N@H+](C)C1CCCCC1 ZINC001314707604 1070878836 /nfs/dbraw/zinc/87/88/36/1070878836.db2.gz VDQMGBWQSVIVLO-UHFFFAOYSA-N 1 0 498.672 3.722 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001313665913 1070881754 /nfs/dbraw/zinc/88/17/54/1070881754.db2.gz DXMCUSITIRDFAJ-KAMZKSLDSA-N 1 0 471.646 3.700 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001313666023 1070882379 /nfs/dbraw/zinc/88/23/79/1070882379.db2.gz FUZXBQXZRCTELG-YXIAPDDASA-N 1 0 490.693 3.784 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001313666071 1070882593 /nfs/dbraw/zinc/88/25/93/1070882593.db2.gz GOUJYUFKZFCPHP-UYAOXDASSA-N 1 0 469.609 3.889 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001313666457 1070884225 /nfs/dbraw/zinc/88/42/25/1070884225.db2.gz GAYAHPYEFOKWFT-MBOZVWFJSA-N 1 0 477.078 3.669 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001313666732 1070885535 /nfs/dbraw/zinc/88/55/35/1070885535.db2.gz ISBOULXSUDWCRL-ICSRJNTNSA-N 1 0 464.655 3.553 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001313666827 1070886694 /nfs/dbraw/zinc/88/66/94/1070886694.db2.gz VCCGXAJWHQXCLG-ZWKOTPCHSA-N 1 0 483.583 3.959 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001314710155 1070887175 /nfs/dbraw/zinc/88/71/75/1070887175.db2.gz NCKZPPOBOCMBBE-SFTDATJTSA-N 1 0 460.667 3.668 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(C2CCCC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001314710229 1070887930 /nfs/dbraw/zinc/88/79/30/1070887930.db2.gz OMHXHUDKXIRROC-UHFFFAOYSA-N 1 0 453.635 3.598 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313667364 1070888951 /nfs/dbraw/zinc/88/89/51/1070888951.db2.gz WZCDWJNYYASDDZ-VAMGGRTRSA-N 1 0 464.655 3.696 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001313668475 1070892003 /nfs/dbraw/zinc/89/20/03/1070892003.db2.gz PIXWIFHBYLEULE-GUDVDZBRSA-N 1 0 474.616 3.611 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001313668595 1070892320 /nfs/dbraw/zinc/89/23/20/1070892320.db2.gz RNWSKJWCYHZLRV-KRWDZBQOSA-N 1 0 498.569 3.633 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001313668808 1070892737 /nfs/dbraw/zinc/89/27/37/1070892737.db2.gz SJWMSZZINGLYBC-UMEGOILYSA-N 1 0 459.610 3.513 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC001313668925 1070893578 /nfs/dbraw/zinc/89/35/78/1070893578.db2.gz SWODMPMJCODUPB-FQEVSTJZSA-N 1 0 494.688 3.568 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCn2nc(C)nc2C1 ZINC001313669003 1070893626 /nfs/dbraw/zinc/89/36/26/1070893626.db2.gz UQUIVQZONQDHBI-HXUWFJFHSA-N 1 0 480.661 3.939 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001313669185 1070894456 /nfs/dbraw/zinc/89/44/56/1070894456.db2.gz UBEWTKMPLBOGQZ-RBUKOAKNSA-N 1 0 464.655 3.744 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001313669987 1070896024 /nfs/dbraw/zinc/89/60/24/1070896024.db2.gz XLBSDUOIBKCDPN-FQEVSTJZSA-N 1 0 486.636 3.708 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)OC(C)(C)C1)c1ccccc1 ZINC001313670669 1070897605 /nfs/dbraw/zinc/89/76/05/1070897605.db2.gz BFTWDSAYAITDLQ-SIKLNZKXSA-N 1 0 451.619 3.765 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001313671790 1070900863 /nfs/dbraw/zinc/90/08/63/1070900863.db2.gz SGKZGOMOOVMZIH-QFIPXVFZSA-N 1 0 481.689 3.613 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001314718036 1070909501 /nfs/dbraw/zinc/90/95/01/1070909501.db2.gz WHIAVRWCIHCJGB-RHSMWYFYSA-N 1 0 451.522 3.878 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001314718039 1070909563 /nfs/dbraw/zinc/90/95/63/1070909563.db2.gz WHIAVRWCIHCJGB-YOEHRIQHSA-N 1 0 451.522 3.878 20 0 JHADRO O=S(=O)(NCC1CC[NH+](Cc2ccncc2)CC1)c1cc(Cl)ccc1Br ZINC001309657704 1070907306 /nfs/dbraw/zinc/90/73/06/1070907306.db2.gz FKUMWBRRCUCRSS-UHFFFAOYSA-N 1 0 458.809 3.688 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1)c1ccco1 ZINC001313673656 1070908547 /nfs/dbraw/zinc/90/85/47/1070908547.db2.gz KRVIANKWQMQQQC-IRLDBZIGSA-N 1 0 480.613 3.735 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCC(F)(F)F)c1ccccc1 ZINC001313674315 1070911429 /nfs/dbraw/zinc/91/14/29/1070911429.db2.gz URDJIVQCHCKOOI-ROUUACIJSA-N 1 0 452.525 3.701 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 ZINC001313674351 1070911445 /nfs/dbraw/zinc/91/14/45/1070911445.db2.gz VEUVIYMKTQWNRE-XUZZJYLKSA-N 1 0 452.647 3.981 20 0 JHADRO CN(Cc1c(F)cccc1Cl)c1nnc(Cc2ccncc2)n1CCC[NH+]1CCC(O)CC1 ZINC001314718976 1070911619 /nfs/dbraw/zinc/91/16/19/1070911619.db2.gz CAKHJKKLZFGTNP-UHFFFAOYSA-N 1 0 472.996 3.540 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)OC(C)(C)C1)c1ccccc1 ZINC001313674782 1070913488 /nfs/dbraw/zinc/91/34/88/1070913488.db2.gz XAYMQNHKIXEXHE-SFTDATJTSA-N 1 0 468.646 3.706 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001313674722 1070913647 /nfs/dbraw/zinc/91/36/47/1070913647.db2.gz WHVKHPLPQQUUCF-XXAUWVGASA-N 1 0 482.673 3.954 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2cnccn2)CC1)c1ccsc1 ZINC001313675776 1070918360 /nfs/dbraw/zinc/91/83/60/1070918360.db2.gz BRSIKAHAPAQIMP-OAQYLSRUSA-N 1 0 468.675 3.738 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C)C1)c1ccccc1 ZINC001313676460 1070921205 /nfs/dbraw/zinc/92/12/05/1070921205.db2.gz DIIBMPZWTXRNJM-XMSQKQJNSA-N 1 0 454.644 3.942 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(C2CCC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001314724255 1070925255 /nfs/dbraw/zinc/92/52/55/1070925255.db2.gz DKCYFYZOIYKACY-SFHVURJKSA-N 1 0 451.537 3.836 20 0 JHADRO CCN(CC)c1ccc(Cn2c(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)nnc2[C@]2(OC(C)C)CCOC2)cn1 ZINC001313679709 1070934947 /nfs/dbraw/zinc/93/49/47/1070934947.db2.gz RCBFLZQWICOVKO-BERHBOFZSA-N 1 0 499.704 3.527 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc(-c2ccccc2F)n1CCC[NH+]1CCC(O)CC1 ZINC001314727184 1070937491 /nfs/dbraw/zinc/93/74/91/1070937491.db2.gz YXPKSXWLRDSSGN-UHFFFAOYSA-N 1 0 492.393 3.923 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(C)=O)C1)c1ccsc1 ZINC001313681774 1070942110 /nfs/dbraw/zinc/94/21/10/1070942110.db2.gz ZRENHWHRSDAEIG-PKTZIBPZSA-N 1 0 481.670 3.513 20 0 JHADRO CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001313690081 1070949549 /nfs/dbraw/zinc/94/95/49/1070949549.db2.gz NDSUQFLBEMYBEP-FQEVSTJZSA-N 1 0 454.648 3.663 20 0 JHADRO CCn1cnnc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001313691433 1070950734 /nfs/dbraw/zinc/95/07/34/1070950734.db2.gz LVELBLGUTUZVDD-SFHVURJKSA-N 1 0 470.597 3.528 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001313691476 1070951287 /nfs/dbraw/zinc/95/12/87/1070951287.db2.gz NEEZPSBKJWDUIJ-XXAUWVGASA-N 1 0 485.673 3.885 20 0 JHADRO COC(=O)c1cc2ccccc2cc1S(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001309752963 1070953787 /nfs/dbraw/zinc/95/37/87/1070953787.db2.gz LNHLLOTVBNVOQN-GCJKJVERSA-N 1 0 452.576 3.673 20 0 JHADRO CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001313693964 1070955946 /nfs/dbraw/zinc/95/59/46/1070955946.db2.gz ZLSHUSBQGFTCJY-UHFFFAOYSA-N 1 0 476.716 3.868 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 ZINC001313694274 1070956633 /nfs/dbraw/zinc/95/66/33/1070956633.db2.gz FPBQNEPAKMVEPA-RDGATRHJSA-N 1 0 459.635 3.948 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@@H](OC)C(F)(F)F)CC1 ZINC001313694970 1070958105 /nfs/dbraw/zinc/95/81/05/1070958105.db2.gz JMCPZXQBNVGMCJ-LJQANCHMSA-N 1 0 454.541 3.927 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2ccc(OC)cc2)CC1 ZINC001313695983 1070961911 /nfs/dbraw/zinc/96/19/11/1070961911.db2.gz PSCKOTDDNHEVOL-JOCHJYFZSA-N 1 0 468.646 3.526 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2cccc(C)c2)CC1 ZINC001313696142 1070962649 /nfs/dbraw/zinc/96/26/49/1070962649.db2.gz JKYCINWNBKSTGJ-HXUWFJFHSA-N 1 0 456.635 3.503 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccccc3F)n2CCc2cccnc2)CC1 ZINC001313697277 1070965887 /nfs/dbraw/zinc/96/58/87/1070965887.db2.gz LDVKYTVSANUCBL-UHFFFAOYSA-N 1 0 452.578 3.945 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2ccc(OC)cc2)CC1 ZINC001313697408 1070966292 /nfs/dbraw/zinc/96/62/92/1070966292.db2.gz ZOYSEAYFPGXHBK-UHFFFAOYSA-N 1 0 451.619 3.631 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(CC2CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314737431 1070966359 /nfs/dbraw/zinc/96/63/59/1070966359.db2.gz MSNFSCTWQZMEOL-PKHCJMHPSA-N 1 0 457.669 3.969 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001313697566 1070967017 /nfs/dbraw/zinc/96/70/17/1070967017.db2.gz RDUHDDFEVITLQN-OAQYLSRUSA-N 1 0 460.623 3.792 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2CCOCC2)CC1 ZINC001313697705 1070967670 /nfs/dbraw/zinc/96/76/70/1070967670.db2.gz ORCFSJGEJMWSIU-UHFFFAOYSA-N 1 0 457.619 3.700 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001313697674 1070967722 /nfs/dbraw/zinc/96/77/22/1070967722.db2.gz NSTWLKFHCLXCCR-YLJYHZDGSA-N 1 0 493.494 3.908 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ncccc2N(C)C)CC1 ZINC001313697699 1070967747 /nfs/dbraw/zinc/96/77/47/1070967747.db2.gz OODAFVCBNUAAAA-UHFFFAOYSA-N 1 0 463.630 3.774 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001313698020 1070968845 /nfs/dbraw/zinc/96/88/45/1070968845.db2.gz ZFBPTIXSDGTADW-LEWJYISDSA-N 1 0 476.666 3.840 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001313698214 1070969444 /nfs/dbraw/zinc/96/94/44/1070969444.db2.gz UOFQKGBTMMICCW-UHFFFAOYSA-N 1 0 498.068 3.873 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccn2)CC1 ZINC001313698117 1070969459 /nfs/dbraw/zinc/96/94/59/1070969459.db2.gz SRJFCQZWXOOUQL-UHFFFAOYSA-N 1 0 472.435 3.984 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001313698215 1070969591 /nfs/dbraw/zinc/96/95/91/1070969591.db2.gz UPOKUTHSLIMWQP-UHFFFAOYSA-N 1 0 472.943 3.588 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)on2)CC1 ZINC001313698105 1070969647 /nfs/dbraw/zinc/96/96/47/1070969647.db2.gz RXKUWLYNZWGSPU-UHFFFAOYSA-N 1 0 476.423 3.701 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@H](SC)C(C)(C)C)CC1 ZINC001313698490 1070970933 /nfs/dbraw/zinc/97/09/33/1070970933.db2.gz FBMIDRVYZRTXBF-FQEVSTJZSA-N 1 0 492.759 3.699 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2C[C@H]2C)CC1 ZINC001313698800 1070971910 /nfs/dbraw/zinc/97/19/10/1070971910.db2.gz MRGVVOHMRPZRQV-MOPGFXCFSA-N 1 0 491.105 3.870 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC=CCC2)CC1 ZINC001313699133 1070972596 /nfs/dbraw/zinc/97/25/96/1070972596.db2.gz IMOQOCTUKFFOKY-HXUWFJFHSA-N 1 0 471.049 3.945 20 0 JHADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CC1 ZINC001309799123 1070972943 /nfs/dbraw/zinc/97/29/43/1070972943.db2.gz FRVMYBBMULCNSL-UHFFFAOYSA-N 1 0 456.431 3.822 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@H](C)[C@@H](OC)C2)c1 ZINC001313699345 1070973284 /nfs/dbraw/zinc/97/32/84/1070973284.db2.gz BKVRAKKIHSYAPR-REWPJTCUSA-N 1 0 491.640 3.677 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)OC)CC1 ZINC001313699513 1070974251 /nfs/dbraw/zinc/97/42/51/1070974251.db2.gz LGMZGVLOGHPVPP-UHFFFAOYSA-N 1 0 484.689 3.658 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CC2(CC(C)C)CC2)CC1 ZINC001313699867 1070975392 /nfs/dbraw/zinc/97/53/92/1070975392.db2.gz QPWSCQYJFYDHPU-UHFFFAOYSA-N 1 0 456.635 3.663 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC001313700965 1070978819 /nfs/dbraw/zinc/97/88/19/1070978819.db2.gz OTTVWNARNPKJDX-NRFANRHFSA-N 1 0 491.080 3.607 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](CC(C)C)C2)c1 ZINC001313700342 1070976790 /nfs/dbraw/zinc/97/67/90/1070976790.db2.gz SFXLOHSNBATCKF-GOTSBHOMSA-N 1 0 452.647 3.992 20 0 JHADRO CN(Cc1cccc(C(F)(F)F)c1)c1nnc(C(=O)N2CCCC2)n1CC1([NH+](C)C)CCC1 ZINC001314740739 1070977366 /nfs/dbraw/zinc/97/73/66/1070977366.db2.gz ADUKLYLCSYNMJL-UHFFFAOYSA-N 1 0 464.536 3.654 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(NC(C)=O)cc2)CC1 ZINC001313700919 1070978110 /nfs/dbraw/zinc/97/81/10/1070978110.db2.gz NJPVXUKSYKGHFL-HSZRJFAPSA-N 1 0 454.619 3.641 20 0 JHADRO CN(Cc1cccc(OC(F)F)c1)c1nnc(C(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314742896 1070982795 /nfs/dbraw/zinc/98/27/95/1070982795.db2.gz BDWPWSNPZNGCAE-UHFFFAOYSA-N 1 0 464.605 3.839 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@H](OC)C2)c1 ZINC001313702434 1070984191 /nfs/dbraw/zinc/98/41/91/1070984191.db2.gz IRNAYYKZPJISBZ-JOCHJYFZSA-N 1 0 454.644 3.749 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccc(C)cc2)C1 ZINC001313702567 1070984847 /nfs/dbraw/zinc/98/48/47/1070984847.db2.gz PMXGHXBHHWCTLO-HXUWFJFHSA-N 1 0 496.059 3.900 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)c2ccco2)C1 ZINC001313703539 1070987447 /nfs/dbraw/zinc/98/74/47/1070987447.db2.gz YGEHYAJLDWKIMX-QGZVFWFLSA-N 1 0 488.995 3.929 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC=C(COC)CC2)cc1 ZINC001313703040 1070986165 /nfs/dbraw/zinc/98/61/65/1070986165.db2.gz DVHYTFNQNKWWSL-XMMPIXPASA-N 1 0 453.631 3.845 20 0 JHADRO CN(Cc1cccc(Cl)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001314744646 1070986522 /nfs/dbraw/zinc/98/65/22/1070986522.db2.gz IDGWVRBQPYYUQO-LJQANCHMSA-N 1 0 480.078 3.735 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001313703742 1070988127 /nfs/dbraw/zinc/98/81/27/1070988127.db2.gz DUTVUTJGEIIRKJ-LEWJYISDSA-N 1 0 452.647 3.915 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313704155 1070989870 /nfs/dbraw/zinc/98/98/70/1070989870.db2.gz HJEWVXJNTQOWCF-UXHICEINSA-N 1 0 467.536 3.787 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001313704627 1070991251 /nfs/dbraw/zinc/99/12/51/1070991251.db2.gz LNPKRRFIIRRZNC-NRFANRHFSA-N 1 0 463.630 3.516 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001313704677 1070991632 /nfs/dbraw/zinc/99/16/32/1070991632.db2.gz ZWHIPBZDRBZAJZ-UHFFFAOYSA-N 1 0 464.614 3.777 20 0 JHADRO CN(Cc1ccccc1)C(=O)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001314746467 1070991867 /nfs/dbraw/zinc/99/18/67/1070991867.db2.gz IOPZOCBXKCNZGU-UHFFFAOYSA-N 1 0 475.641 3.557 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H](C)c2ccc(C)cc2)CC1 ZINC001313705260 1070993172 /nfs/dbraw/zinc/99/31/72/1070993172.db2.gz SXNUCOXWRHTBJP-JOCHJYFZSA-N 1 0 454.663 3.579 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2CCC[C@@H](n3cncn3)C2)nnc1C(C)(C)C ZINC001313705847 1070994983 /nfs/dbraw/zinc/99/49/83/1070994983.db2.gz VYTYZNNURRCCOW-JOCHJYFZSA-N 1 0 450.635 3.899 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)c2ccco2)C1 ZINC001313706295 1070996360 /nfs/dbraw/zinc/99/63/60/1070996360.db2.gz HBUFVLQMUQWVKM-JIPXPUAJSA-N 1 0 494.640 3.816 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCn2cc(Cl)cn2)C1 ZINC001313707021 1070997495 /nfs/dbraw/zinc/99/74/95/1070997495.db2.gz IPIUARZYBPMOSO-GOSISDBHSA-N 1 0 458.010 3.672 20 0 JHADRO CCN(CCn1c(-c2cccn2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1)C(=O)OC(C)(C)C ZINC001313707067 1070997640 /nfs/dbraw/zinc/99/76/40/1070997640.db2.gz JHCWFAZETLMNFI-FQEVSTJZSA-N 1 0 473.666 3.709 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001313710038 1071003436 /nfs/dbraw/zinc/00/34/36/1071003436.db2.gz HNTFOSHDPXMLSH-HOTGVXAUSA-N 1 0 472.581 3.668 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001313707839 1070998985 /nfs/dbraw/zinc/99/89/85/1070998985.db2.gz SPYJZKRZNMAIOU-VQTJNVASSA-N 1 0 464.580 3.997 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(F)(F)F)C1 ZINC001313708383 1071000303 /nfs/dbraw/zinc/00/03/03/1071000303.db2.gz VCGATSIXYYEETG-INIZCTEOSA-N 1 0 472.943 3.592 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H]2CCOC2)C1 ZINC001313708814 1071001221 /nfs/dbraw/zinc/00/12/21/1071001221.db2.gz ZMAXWYRZEXHYGJ-YADHBBJMSA-N 1 0 468.646 3.742 20 0 JHADRO O=S(=O)(c1cc(F)ccc1Br)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001309871679 1071001406 /nfs/dbraw/zinc/00/14/06/1071001406.db2.gz PMGDJOBGRUGNBG-SJORKVTESA-N 1 0 453.377 3.731 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccnc2OCC(F)(F)F)C1 ZINC001313709309 1071001505 /nfs/dbraw/zinc/00/15/05/1071001505.db2.gz CSNCCJOKDPKYCM-AZUAARDMSA-N 1 0 496.578 3.725 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001313710085 1071003853 /nfs/dbraw/zinc/00/38/53/1071003853.db2.gz AXKNQDIANZMYBJ-YADARESESA-N 1 0 478.037 3.799 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC001313709276 1071001902 /nfs/dbraw/zinc/00/19/02/1071001902.db2.gz JWVOQLOLAMGSSL-UHFFFAOYSA-N 1 0 474.694 3.810 20 0 JHADRO C[N@@H+](Cc1ccccc1)CC1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001314750620 1071002550 /nfs/dbraw/zinc/00/25/50/1071002550.db2.gz VERVKHLAXWKAKE-HSZRJFAPSA-N 1 0 482.673 3.640 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)NC(C)(C)C)C1 ZINC001313712417 1071009028 /nfs/dbraw/zinc/00/90/28/1071009028.db2.gz LSILXSOTCKBPBJ-HXUWFJFHSA-N 1 0 475.081 3.995 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001313710560 1071004702 /nfs/dbraw/zinc/00/47/02/1071004702.db2.gz HGOKQRLYNKDVHD-MOPGFXCFSA-N 1 0 475.707 3.903 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 ZINC001313710658 1071005264 /nfs/dbraw/zinc/00/52/64/1071005264.db2.gz BKBRIBMSRYYWQL-HFZDXXHNSA-N 1 0 466.630 3.550 20 0 JHADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001309897898 1071009086 /nfs/dbraw/zinc/00/90/86/1071009086.db2.gz UFCFOSPUGDUERC-UHFFFAOYSA-N 1 0 456.530 3.760 20 0 JHADRO CN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314752333 1071005540 /nfs/dbraw/zinc/00/55/40/1071005540.db2.gz LCKJSUMKBZKHDW-UHFFFAOYSA-N 1 0 465.577 3.823 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001313711333 1071006143 /nfs/dbraw/zinc/00/61/43/1071006143.db2.gz BVERIDMTGWXZGM-HNNXBMFYSA-N 1 0 497.869 3.760 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001313712647 1071008851 /nfs/dbraw/zinc/00/88/51/1071008851.db2.gz QXVPREUAQNWFQY-ZWKOTPCHSA-N 1 0 458.676 3.530 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001313713129 1071009898 /nfs/dbraw/zinc/00/98/98/1071009898.db2.gz YSKHPZBYEXMUTA-FXAWDEMLSA-N 1 0 480.451 3.680 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(C)c1 ZINC001313712849 1071009974 /nfs/dbraw/zinc/00/99/74/1071009974.db2.gz VSHOLDJIBQGZIR-UHFFFAOYSA-N 1 0 466.453 3.871 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(F)(F)F)n2)C1 ZINC001313714084 1071011658 /nfs/dbraw/zinc/01/16/58/1071011658.db2.gz WLPGTJWFAVGUSZ-GOSISDBHSA-N 1 0 473.547 3.894 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2OC)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC001313714713 1071012486 /nfs/dbraw/zinc/01/24/86/1071012486.db2.gz ONFHTNOLXWFMBJ-UHFFFAOYSA-N 1 0 469.659 3.777 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001313714662 1071012560 /nfs/dbraw/zinc/01/25/60/1071012560.db2.gz NFCPNVHSQPVITL-OYRHEFFESA-N 1 0 498.672 3.989 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2OC)nnc1N1CCC(c2ccnn2C)CC1 ZINC001313714786 1071012922 /nfs/dbraw/zinc/01/29/22/1071012922.db2.gz RGFRQPODBVUVEU-UHFFFAOYSA-N 1 0 451.619 3.803 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313714984 1071013543 /nfs/dbraw/zinc/01/35/43/1071013543.db2.gz ADDADHHFRDBNKL-CTNGQTDRSA-N 1 0 471.650 3.812 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001313715233 1071013883 /nfs/dbraw/zinc/01/38/83/1071013883.db2.gz AAFPJEIOOOFKTL-OBTVHEKISA-N 1 0 485.673 3.979 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001313715241 1071013900 /nfs/dbraw/zinc/01/39/00/1071013900.db2.gz AAFPJEIOOOFKTL-VMODYCNZSA-N 1 0 485.673 3.979 20 0 JHADRO CC[NH+](CC)CCCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001313715720 1071015280 /nfs/dbraw/zinc/01/52/80/1071015280.db2.gz IZZGJOSLGZANKU-UHFFFAOYSA-N 1 0 477.028 3.717 20 0 JHADRO COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001309915531 1071015599 /nfs/dbraw/zinc/01/55/99/1071015599.db2.gz NOKVCABMIJEJAM-BJKOFHAPSA-N 1 0 479.602 3.600 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001313717192 1071016985 /nfs/dbraw/zinc/01/69/85/1071016985.db2.gz BCGABXKLEWVJHR-CALCHBBNSA-N 1 0 453.990 3.710 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001313717464 1071017216 /nfs/dbraw/zinc/01/72/16/1071017216.db2.gz FAWWLQMZAVDAPE-OAQYLSRUSA-N 1 0 462.038 3.747 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001313718873 1071019229 /nfs/dbraw/zinc/01/92/29/1071019229.db2.gz DXNAYRBXGZGKPX-GOHWNWGWSA-N 1 0 499.635 3.773 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001313718874 1071019319 /nfs/dbraw/zinc/01/93/19/1071019319.db2.gz DXNAYRBXGZGKPX-KYTVRQNUSA-N 1 0 499.635 3.773 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313718928 1071019679 /nfs/dbraw/zinc/01/96/79/1071019679.db2.gz HFVPZEXRKNODSZ-QYZOEREBSA-N 1 0 461.582 3.677 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001313722174 1071026300 /nfs/dbraw/zinc/02/63/00/1071026300.db2.gz YNJZFOGBKRKQOG-QGZVFWFLSA-N 1 0 491.566 3.820 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(Cc2ccc(F)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314763630 1071023118 /nfs/dbraw/zinc/02/31/18/1071023118.db2.gz YHEZWYGKCDELIO-LJQANCHMSA-N 1 0 479.526 3.737 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001313722198 1071026353 /nfs/dbraw/zinc/02/63/53/1071026353.db2.gz YWGMVORIWIPJFO-MJGOQNOKSA-N 1 0 491.478 3.743 20 0 JHADRO CN(Cc1cnccn1)c1nnc(-c2ccc(Br)s2)n1CC[NH+]1CCCCC1 ZINC001314763973 1071023710 /nfs/dbraw/zinc/02/37/10/1071023710.db2.gz NFVXORVCBYZPSY-UHFFFAOYSA-N 1 0 462.421 3.681 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001313721772 1071025056 /nfs/dbraw/zinc/02/50/56/1071025056.db2.gz JXEAJAQIFRHYPZ-DHIUTWEWSA-N 1 0 495.716 3.553 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001313721692 1071025150 /nfs/dbraw/zinc/02/51/50/1071025150.db2.gz PIXPIDOOUOHVQQ-GCJKJVERSA-N 1 0 496.660 3.742 20 0 JHADRO CN(Cc1cnccn1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314764588 1071026282 /nfs/dbraw/zinc/02/62/82/1071026282.db2.gz FWWBIZDMWDNVEV-QHCPKHFHSA-N 1 0 463.630 3.921 20 0 JHADRO CN(Cc1ccoc1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314766814 1071029064 /nfs/dbraw/zinc/02/90/64/1071029064.db2.gz CQHWRMVIFZGUMI-OAQYLSRUSA-N 1 0 471.627 3.698 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC001313723963 1071029759 /nfs/dbraw/zinc/02/97/59/1071029759.db2.gz YFKAGCMLHWIVJC-XMSQKQJNSA-N 1 0 467.618 3.768 20 0 JHADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc(C)c1OCc1ccccc1 ZINC001309965352 1071030627 /nfs/dbraw/zinc/03/06/27/1071030627.db2.gz KYJBQSFNWVOYLP-QHCPKHFHSA-N 1 0 458.624 3.804 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ncc(Cl)n1C ZINC001313724293 1071030672 /nfs/dbraw/zinc/03/06/72/1071030672.db2.gz OOIITPQONAFHQT-CQSZACIVSA-N 1 0 497.873 3.800 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001313722909 1071027305 /nfs/dbraw/zinc/02/73/05/1071027305.db2.gz IXVBUEKZALQURJ-HXUWFJFHSA-N 1 0 481.620 3.540 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001313725500 1071033131 /nfs/dbraw/zinc/03/31/31/1071033131.db2.gz KOJSETUUGVITBH-QFUCXCTJSA-N 1 0 492.462 3.853 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC001313725691 1071033669 /nfs/dbraw/zinc/03/36/69/1071033669.db2.gz OOQJBUDAOGZPMA-DXIQSLLYSA-N 1 0 457.619 3.871 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2F)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001313727302 1071036681 /nfs/dbraw/zinc/03/66/81/1071036681.db2.gz OKIKGSAHYCNYBM-LJQANCHMSA-N 1 0 469.609 3.844 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001313727214 1071036778 /nfs/dbraw/zinc/03/67/78/1071036778.db2.gz ZLSGKZKHFSXLJB-FGTMMUONSA-N 1 0 469.556 3.917 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001313726900 1071035755 /nfs/dbraw/zinc/03/57/55/1071035755.db2.gz SRKXAFOZNQJDKY-GOSISDBHSA-N 1 0 460.573 3.551 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001313724799 1071031502 /nfs/dbraw/zinc/03/15/02/1071031502.db2.gz VXJPZKWDRKKCBE-HXUWFJFHSA-N 1 0 496.059 3.610 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313727657 1071037587 /nfs/dbraw/zinc/03/75/87/1071037587.db2.gz XPZFSFNDXXBEDR-GPMSIDNRSA-N 1 0 473.515 3.883 20 0 JHADRO CN(Cc1cscn1)c1nnc(C(C)(C)C)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001314771928 1071037647 /nfs/dbraw/zinc/03/76/47/1071037647.db2.gz VLDRIWVZJSMDHI-UHFFFAOYSA-N 1 0 454.644 3.674 20 0 JHADRO CC(=O)Nc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C(F)(F)F)c1 ZINC001309992569 1071042298 /nfs/dbraw/zinc/04/22/98/1071042298.db2.gz QOEUZWURDGYABM-GOSISDBHSA-N 1 0 450.461 3.552 20 0 JHADRO CN(Cc1nccs1)c1nnc(-c2cccc(Br)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001314772888 1071040135 /nfs/dbraw/zinc/04/01/35/1071040135.db2.gz FIRLUJUJBCSHDR-UHFFFAOYSA-N 1 0 491.459 3.911 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(-c2cccn2C)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314773402 1071042061 /nfs/dbraw/zinc/04/20/61/1071042061.db2.gz BSCHJZMSARLICL-LJQANCHMSA-N 1 0 470.984 3.749 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[NH+]1CCCC1 ZINC001313730296 1071044246 /nfs/dbraw/zinc/04/42/46/1071044246.db2.gz RLHDTGWISIANCI-XMMPIXPASA-N 1 0 463.573 3.719 20 0 JHADRO CN(Cc1ccon1)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314776262 1071048086 /nfs/dbraw/zinc/04/80/86/1071048086.db2.gz JTLMUUUTOLOQMW-UHFFFAOYSA-N 1 0 476.423 3.793 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001313731018 1071046086 /nfs/dbraw/zinc/04/60/86/1071046086.db2.gz DJSUINAGFLGYOE-NVXWUHKLSA-N 1 0 451.040 3.845 20 0 JHADRO CN(Cc1ccon1)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314776226 1071048214 /nfs/dbraw/zinc/04/82/14/1071048214.db2.gz IIIKTALLSRRBOJ-FQEVSTJZSA-N 1 0 495.422 3.908 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(Cc2ccncc2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001313732580 1071049506 /nfs/dbraw/zinc/04/95/06/1071049506.db2.gz HJTSUZOWXDQPAX-SFHVURJKSA-N 1 0 475.062 3.974 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314777443 1071050487 /nfs/dbraw/zinc/05/04/87/1071050487.db2.gz RSAOFIAIVGVUFO-QGZVFWFLSA-N 1 0 490.946 3.987 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(C(C)(C)C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314777914 1071051393 /nfs/dbraw/zinc/05/13/93/1071051393.db2.gz QVINYICJYBUDNC-UHFFFAOYSA-N 1 0 486.615 3.906 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001313733920 1071053157 /nfs/dbraw/zinc/05/31/57/1071053157.db2.gz MVBSICZMSKWOBS-PKTZIBPZSA-N 1 0 494.640 3.796 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCOCC1 ZINC001314782751 1071058433 /nfs/dbraw/zinc/05/84/33/1071058433.db2.gz NHWQEVGHLUEOCI-UHFFFAOYSA-N 1 0 487.393 3.628 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001313734241 1071054320 /nfs/dbraw/zinc/05/43/20/1071054320.db2.gz NWQDSOMWTVWHHQ-UGKGYDQZSA-N 1 0 456.610 3.907 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001313735156 1071055585 /nfs/dbraw/zinc/05/55/85/1071055585.db2.gz DZCDIVGYULRNDZ-XMMPIXPASA-N 1 0 452.628 3.813 20 0 JHADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc(C(=O)NC(C)C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313738378 1071062360 /nfs/dbraw/zinc/06/23/60/1071062360.db2.gz KDENTLIIWAOHGD-LJQANCHMSA-N 1 0 484.645 3.682 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001313738293 1071062386 /nfs/dbraw/zinc/06/23/86/1071062386.db2.gz SXAAOIUCYAYGNW-RUZDIDTESA-N 1 0 483.686 3.612 20 0 JHADRO CN(C[C@@H]1CC=CCC1)c1nnc(Cc2c(F)cccc2F)n1CCC[NH+]1CCC(O)CC1 ZINC001314789620 1071066478 /nfs/dbraw/zinc/06/64/78/1071066478.db2.gz BAJDJGMWAKDDQG-LJQANCHMSA-N 1 0 459.585 3.786 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCOC[C@@H]2CC2CCOCC2)CC1 ZINC001310020125 1071064641 /nfs/dbraw/zinc/06/46/41/1071064641.db2.gz TYXQNZBIVMHGBP-FQEVSTJZSA-N 1 0 451.011 3.531 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313745479 1071073992 /nfs/dbraw/zinc/07/39/92/1071073992.db2.gz SLKLAWPNMSCYQO-PMACEKPBSA-N 1 0 495.603 3.590 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](c3nccn3C)c3ccc(F)c(F)c3)cc2)CC1 ZINC001310035949 1071075307 /nfs/dbraw/zinc/07/53/07/1071075307.db2.gz GNQBVZMOZMRRFT-QFIPXVFZSA-N 1 0 454.525 3.751 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001310037755 1071076515 /nfs/dbraw/zinc/07/65/15/1071076515.db2.gz YEUMXLSHUSIIOO-RUZDIDTESA-N 1 0 459.635 3.987 20 0 JHADRO CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001313749405 1071080199 /nfs/dbraw/zinc/08/01/99/1071080199.db2.gz GUVBHDWOAMUDBS-SFTDATJTSA-N 1 0 468.627 3.629 20 0 JHADRO CN(C[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC2([NH+](C)C)CCC2)C1)C(=O)OC(C)(C)C ZINC001314803379 1071087162 /nfs/dbraw/zinc/08/71/62/1071087162.db2.gz IKATWZCLLIKWQI-WOJBJXKFSA-N 1 0 476.666 3.697 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001313751869 1071087361 /nfs/dbraw/zinc/08/73/61/1071087361.db2.gz JNALMCDGUHFRFR-HXUWFJFHSA-N 1 0 489.466 3.916 20 0 JHADRO COc1ccc(NC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cc1OCc1ccncc1 ZINC001310055738 1071087733 /nfs/dbraw/zinc/08/77/33/1071087733.db2.gz FCECZXRTYUXLGC-OAQYLSRUSA-N 1 0 454.571 3.776 20 0 JHADRO CN(C(=O)Nc1cccc(CN2CCCC2=O)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001310059569 1071090519 /nfs/dbraw/zinc/09/05/19/1071090519.db2.gz CSSRKXQOAOMKEB-ZEQRLZLVSA-N 1 0 455.647 3.610 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313755035 1071094653 /nfs/dbraw/zinc/09/46/53/1071094653.db2.gz HEUGNWCFSMXGPG-LJQANCHMSA-N 1 0 498.701 3.540 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(-c2ccccc2Cl)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314807307 1071095947 /nfs/dbraw/zinc/09/59/47/1071095947.db2.gz SPOOLHYNGXCARK-VGOFRKELSA-N 1 0 450.052 3.899 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)Cc1ccccc1 ZINC001310073310 1071098781 /nfs/dbraw/zinc/09/87/81/1071098781.db2.gz PQZRGFIHRBRFGD-QFIPXVFZSA-N 1 0 458.628 3.546 20 0 JHADRO CN(C[C@@H]1CCOC1)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314812467 1071109946 /nfs/dbraw/zinc/10/99/46/1071109946.db2.gz WYXJNCWRVVFYNG-HNAYVOBHSA-N 1 0 493.475 3.883 20 0 JHADRO CN(C[C@@H]1CCOC1)c1nnc(COc2ccccc2F)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314812614 1071110608 /nfs/dbraw/zinc/11/06/08/1071110608.db2.gz ANVBQVMFWKYXJR-PXNSSMCTSA-N 1 0 459.591 3.833 20 0 JHADRO CN(CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC001314813018 1071111852 /nfs/dbraw/zinc/11/18/52/1071111852.db2.gz PGEMBVDCBKEQEN-JOCHJYFZSA-N 1 0 490.693 3.741 20 0 JHADRO CCN(CC1CCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001313768561 1071117179 /nfs/dbraw/zinc/11/71/79/1071117179.db2.gz RIHPIUMGXDAVFZ-UGKGYDQZSA-N 1 0 473.687 3.936 20 0 JHADRO C[C@@H]1CN(Cc2csc(NC(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)n2)C[C@@H](C)O1 ZINC001310088575 1071113321 /nfs/dbraw/zinc/11/33/21/1071113321.db2.gz XCYFLSZNFSHSKN-RTBURBONSA-N 1 0 457.644 3.929 20 0 JHADRO CCN(CC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001313766544 1071114165 /nfs/dbraw/zinc/11/41/65/1071114165.db2.gz ZLPHSAKBIREELQ-HXUWFJFHSA-N 1 0 476.666 3.697 20 0 JHADRO COc1c(C)ccc(NC(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)c1C ZINC001310090650 1071114260 /nfs/dbraw/zinc/11/42/60/1071114260.db2.gz ZNKGRLVYVBUCDL-UHFFFAOYSA-N 1 0 452.599 3.805 20 0 JHADRO CN(C[C@H]1CCOC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314815526 1071121624 /nfs/dbraw/zinc/12/16/24/1071121624.db2.gz NILMHFYLBITRJJ-NJYVYQBISA-N 1 0 490.693 3.786 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313771644 1071122568 /nfs/dbraw/zinc/12/25/68/1071122568.db2.gz KPAWLYVAFQHYMH-LMMKCTJWSA-N 1 0 495.466 3.540 20 0 JHADRO CN(CC1CCOCC1)c1nnc(CC(C)(C)C)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001314816728 1071123930 /nfs/dbraw/zinc/12/39/30/1071123930.db2.gz FNDGMJOVEONCQK-UHFFFAOYSA-N 1 0 469.674 3.735 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC[N@@H+]1CC ZINC001313773981 1071128568 /nfs/dbraw/zinc/12/85/68/1071128568.db2.gz ZCUVMWBCYCDCAQ-YADHBBJMSA-N 1 0 454.619 3.637 20 0 JHADRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cn1 ZINC001310114651 1071126241 /nfs/dbraw/zinc/12/62/41/1071126241.db2.gz XHEGJNFBZGFFOW-TZIWHRDSSA-N 1 0 453.587 3.681 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(Cl)c2)n1CCCC[NH+]1CCOCC1 ZINC001314818406 1071127850 /nfs/dbraw/zinc/12/78/50/1071127850.db2.gz FDLVRQVTZUWAMT-UHFFFAOYSA-N 1 0 478.037 3.546 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(CCc2ccccc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314819338 1071132225 /nfs/dbraw/zinc/13/22/25/1071132225.db2.gz KSXYEPVLORYMKD-JOCHJYFZSA-N 1 0 467.614 3.795 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(Cl)cc2F)n1CCC[NH+]1CCC(O)CC1 ZINC001313775955 1071133200 /nfs/dbraw/zinc/13/32/00/1071133200.db2.gz LYJFNPKTAGVAAQ-LJQANCHMSA-N 1 0 466.001 3.590 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001313774576 1071130367 /nfs/dbraw/zinc/13/03/67/1071130367.db2.gz ULYWWHQAOSBBJL-SIKLNZKXSA-N 1 0 451.619 3.813 20 0 JHADRO Cc1cc(N2CCC(NC(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CC2)nc(C)n1 ZINC001310130149 1071140869 /nfs/dbraw/zinc/14/08/69/1071140869.db2.gz DUOYQEPDHXJRPV-IAGOWNOFSA-N 1 0 456.566 3.637 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(CCc2ccccc2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313779321 1071141715 /nfs/dbraw/zinc/14/17/15/1071141715.db2.gz XPNPCGMJQWNGMA-FIXSFTCYSA-N 1 0 469.674 3.956 20 0 JHADRO CN(CCC(F)(F)F)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCc1ccncc1 ZINC001314824211 1071147085 /nfs/dbraw/zinc/14/70/85/1071147085.db2.gz NZPCEICJPMPFMV-UHFFFAOYSA-N 1 0 487.574 3.669 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C1)CC(F)(F)F ZINC001313785510 1071160321 /nfs/dbraw/zinc/16/03/21/1071160321.db2.gz IPCBGAFKFHOPKS-HXUWFJFHSA-N 1 0 486.627 3.721 20 0 JHADRO CCN(C[C@H]1COc2ccccc2O1)c1nnc(C(=O)NC(C)C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313786693 1071165642 /nfs/dbraw/zinc/16/56/42/1071165642.db2.gz VEBMDUYWPRLWHO-RTWAWAEBSA-N 1 0 498.672 3.593 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC2([NH+](C)C)CCCC2)C1)CC(F)(F)F ZINC001313788488 1071175123 /nfs/dbraw/zinc/17/51/23/1071175123.db2.gz KVOZFHKILNSCMS-SFHVURJKSA-N 1 0 467.584 3.858 20 0 JHADRO CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001313791111 1071185964 /nfs/dbraw/zinc/18/59/64/1071185964.db2.gz MGHGEZNSJREQCD-JOCHJYFZSA-N 1 0 473.687 3.514 20 0 JHADRO CN(CCCc1ccccn1)c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001314840203 1071186846 /nfs/dbraw/zinc/18/68/46/1071186846.db2.gz SYQLEPUEXRDUMM-XMMPIXPASA-N 1 0 462.642 3.655 20 0 JHADRO CN(CCC1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1CCCC[NH+]1CCOCC1 ZINC001314841003 1071188802 /nfs/dbraw/zinc/18/88/02/1071188802.db2.gz HFAMVPHZELMQIY-UHFFFAOYSA-N 1 0 462.038 3.964 20 0 JHADRO CCN(C(=O)Nc1cc(Br)ccc1I)[C@H]1CC[N@H+](C)C1 ZINC001310183191 1071189400 /nfs/dbraw/zinc/18/94/00/1071189400.db2.gz BKOCCTZVFTVJKH-NSHDSACASA-N 1 0 452.134 3.612 20 0 JHADRO CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC001310187003 1071192936 /nfs/dbraw/zinc/19/29/36/1071192936.db2.gz RHSKEXKQRQSVNC-FGZHOGPDSA-N 1 0 456.974 3.680 20 0 JHADRO CCC[NH+]1CCN(c2ccc(NC(=O)NCCN(C)C(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001310191074 1071196112 /nfs/dbraw/zinc/19/61/12/1071196112.db2.gz LCPBVVKKZQHRGF-UHFFFAOYSA-N 1 0 454.015 3.860 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(F)(F)F)CC1)C(C)C ZINC001313802284 1071208044 /nfs/dbraw/zinc/20/80/44/1071208044.db2.gz DEJPYIMBJDDNLB-UHFFFAOYSA-N 1 0 490.578 3.750 20 0 JHADRO CCN(CCC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001313800978 1071204649 /nfs/dbraw/zinc/20/46/49/1071204649.db2.gz WDLACFACMJPHTQ-BGYRXZFFSA-N 1 0 478.707 3.724 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(C)=O)CC1)CCC(F)(F)F ZINC001313803478 1071211329 /nfs/dbraw/zinc/21/13/29/1071211329.db2.gz RGJRNASGJBZMSB-UHFFFAOYSA-N 1 0 486.970 3.931 20 0 JHADRO CCN(C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC001310217151 1071214392 /nfs/dbraw/zinc/21/43/92/1071214392.db2.gz DCSPQNLKWOGHAH-HSZRJFAPSA-N 1 0 452.624 3.937 20 0 JHADRO CC[N@H+](CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H](C)C(=O)NC)C(C)C ZINC001313804615 1071215894 /nfs/dbraw/zinc/21/58/94/1071215894.db2.gz CRRNEMUSBNOLTC-MSOLQXFVSA-N 1 0 460.692 3.680 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N(C[C@H]1CCOC1)C1CC1)C(C)C ZINC001313804735 1071216694 /nfs/dbraw/zinc/21/66/94/1071216694.db2.gz JMWKCVUUSGNZMI-MRXNPFEDSA-N 1 0 465.440 3.771 20 0 JHADRO CN(CCCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1)CC(F)(F)F ZINC001314851135 1071220730 /nfs/dbraw/zinc/22/07/30/1071220730.db2.gz VGDVDCKQAWYLAQ-NRFANRHFSA-N 1 0 496.622 3.607 20 0 JHADRO CC[N@H+](CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(N(C)C(C)=O)CC1)C(C)C ZINC001313805907 1071221965 /nfs/dbraw/zinc/22/19/65/1071221965.db2.gz OSKBNEBYHIKQFA-UHFFFAOYSA-N 1 0 452.603 3.869 20 0 JHADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CC=CCC1)CCC(F)(F)F ZINC001313806003 1071222764 /nfs/dbraw/zinc/22/27/64/1071222764.db2.gz SAIJJNRAYDKLBW-GOSISDBHSA-N 1 0 456.557 3.581 20 0 JHADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl)C1CC1 ZINC001313806514 1071224357 /nfs/dbraw/zinc/22/43/57/1071224357.db2.gz RJLBIDLPWUPPLK-UHFFFAOYSA-N 1 0 471.968 3.839 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCOC(C)(C)[C@H]1C)CCC(F)(F)F ZINC001313807044 1071227328 /nfs/dbraw/zinc/22/73/28/1071227328.db2.gz AGGZJMFIWJYUPU-MRXNPFEDSA-N 1 0 483.535 3.952 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2Br)nnc1N1CCN(CC(C)C)C(=O)C1)C(C)C ZINC001313807673 1071229308 /nfs/dbraw/zinc/22/93/08/1071229308.db2.gz UUULBZOBEPCTPQ-UHFFFAOYSA-N 1 0 491.478 3.743 20 0 JHADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)[NH+](C)C ZINC001310244952 1071232865 /nfs/dbraw/zinc/23/28/65/1071232865.db2.gz ZXCIMISHABBPML-DVECYGJZSA-N 1 0 454.640 3.926 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)CCC(F)(F)F ZINC001313808450 1071233414 /nfs/dbraw/zinc/23/34/14/1071233414.db2.gz OQAJRMHHQSGYKD-QFBILLFUSA-N 1 0 498.981 3.930 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(C)C)CC1)C1CC1 ZINC001313809073 1071235290 /nfs/dbraw/zinc/23/52/90/1071235290.db2.gz MDCBGOHHIGDENL-UHFFFAOYSA-N 1 0 463.001 3.527 20 0 JHADRO CCN(CCn1c(-c2ccccc2C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)OC(C)(C)C ZINC001313809903 1071238327 /nfs/dbraw/zinc/23/83/27/1071238327.db2.gz ZYULOKOJQGJLLV-JOCHJYFZSA-N 1 0 498.672 3.812 20 0 JHADRO CC[N@H+](CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(OC)c(F)c1)C(C)C ZINC001313810397 1071241131 /nfs/dbraw/zinc/24/11/31/1071241131.db2.gz RCIGINRNIIUSTA-UHFFFAOYSA-N 1 0 472.565 3.520 20 0 JHADRO CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1cc(F)ccc1F)CCC(F)(F)F ZINC001313809746 1071238643 /nfs/dbraw/zinc/23/86/43/1071238643.db2.gz LYWKOIFJJVDBSU-RDTXWAMCSA-N 1 0 488.505 3.979 20 0 JHADRO CC[N@H+](CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)CC[C@H]1C)CCC(F)(F)F ZINC001313810430 1071241204 /nfs/dbraw/zinc/24/12/04/1071241204.db2.gz SDTFGWUQKDYWMJ-HZPDHXFCSA-N 1 0 470.540 3.905 20 0 JHADRO C[C@@H]1C[C@H](NC(=O)Nc2cc(I)ccc2Br)CC[N@@H+]1C ZINC001310254420 1071240931 /nfs/dbraw/zinc/24/09/31/1071240931.db2.gz CUEOLZOUFMSMFK-MWLCHTKSSA-N 1 0 452.134 3.658 20 0 JHADRO CC[N@H+](CCn1c(C2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)CCC(F)(F)F ZINC001313810882 1071243441 /nfs/dbraw/zinc/24/34/41/1071243441.db2.gz ZSJPEJXHNQSLAU-MRXNPFEDSA-N 1 0 460.545 3.533 20 0 JHADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(Br)c(I)c1 ZINC001310258457 1071245488 /nfs/dbraw/zinc/24/54/88/1071245488.db2.gz VRWAXJSJGKCKAN-UHFFFAOYSA-N 1 0 454.150 3.858 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](OC)C1)CCC(F)(F)F ZINC001313812516 1071250799 /nfs/dbraw/zinc/25/07/99/1071250799.db2.gz ZZCCBFLDSBVAIO-SFHVURJKSA-N 1 0 483.535 3.606 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(Cc2ccncc2)n1CC[N@H+](C)Cc1ccccc1 ZINC001314862691 1071257281 /nfs/dbraw/zinc/25/72/81/1071257281.db2.gz FKLPRAWBWXBHPI-UHFFFAOYSA-N 1 0 498.557 3.785 20 0 JHADRO CC[N@H+](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)C(C)C ZINC001313812843 1071252918 /nfs/dbraw/zinc/25/29/18/1071252918.db2.gz OXDHKHZWCSQNAO-QHCPKHFHSA-N 1 0 492.672 3.602 20 0 JHADRO CC[N@H+](CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC=C(C)CC1)CCC(F)(F)F ZINC001313813206 1071253546 /nfs/dbraw/zinc/25/35/46/1071253546.db2.gz SKUBQGDFDWBFFA-UHFFFAOYSA-N 1 0 499.607 3.669 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)CCC(F)(F)F ZINC001313813728 1071255282 /nfs/dbraw/zinc/25/52/82/1071255282.db2.gz IWJPAMBHJUXFTO-OALUTQOASA-N 1 0 499.582 3.945 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCCCO2)nnc1N1CCc2c(ccnc2N(C)C)C1)CCC(F)(F)F ZINC001313814370 1071257597 /nfs/dbraw/zinc/25/75/97/1071257597.db2.gz MWTTYSWXLBAQHJ-FQEVSTJZSA-N 1 0 495.594 3.818 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C(C)C ZINC001313813494 1071255520 /nfs/dbraw/zinc/25/55/20/1071255520.db2.gz IEOMDGVRFGSRHC-SFTDATJTSA-N 1 0 462.683 3.629 20 0 JHADRO C[N@H+](CCn1c(-c2cccnc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001314862478 1071255896 /nfs/dbraw/zinc/25/58/96/1071255896.db2.gz GKXQLDPXSVFQEM-FQEVSTJZSA-N 1 0 483.661 3.956 20 0 JHADRO CC[N@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)CCC(F)(F)F ZINC001313814749 1071259181 /nfs/dbraw/zinc/25/91/81/1071259181.db2.gz QIBWHGCJDVEBAY-OALUTQOASA-N 1 0 499.582 3.597 20 0 JHADRO C[C@]1(NC(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001310275991 1071259417 /nfs/dbraw/zinc/25/94/17/1071259417.db2.gz FKAFWPPITAJADG-RDGATRHJSA-N 1 0 451.571 3.773 20 0 JHADRO C[N@H+](CCn1c(-c2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001314863158 1071259625 /nfs/dbraw/zinc/25/96/25/1071259625.db2.gz MIKZTSGRJOHBQB-QFIPXVFZSA-N 1 0 495.603 3.715 20 0 JHADRO C[N@H+](CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CCCCC1 ZINC001314863359 1071260465 /nfs/dbraw/zinc/26/04/65/1071260465.db2.gz QMUNCZWILOBPTA-HSZRJFAPSA-N 1 0 495.716 3.907 20 0 JHADRO CC[N@H+](CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccc(OC)c2)CC1)C(C)C ZINC001313815998 1071261847 /nfs/dbraw/zinc/26/18/47/1071261847.db2.gz AZEPESQPNWKJKM-UHFFFAOYSA-N 1 0 483.686 3.699 20 0 JHADRO CC[N@H+](CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001313817439 1071265219 /nfs/dbraw/zinc/26/52/19/1071265219.db2.gz ZVGFJWHRIOWQLS-BGYRXZFFSA-N 1 0 478.682 3.737 20 0 JHADRO C[N@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC001314865721 1071267302 /nfs/dbraw/zinc/26/73/02/1071267302.db2.gz MAHWXOAAHVMSPE-HSZRJFAPSA-N 1 0 498.672 3.655 20 0 JHADRO CC[N@H+](CCn1c(CC(C)C)nnc1N1CCN(c2cccc(O)c2)CC1)CCC(F)(F)F ZINC001313818115 1071267304 /nfs/dbraw/zinc/26/73/04/1071267304.db2.gz HKFVLRYIPJVCOG-UHFFFAOYSA-N 1 0 468.568 3.783 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1)CCC(F)(F)F ZINC001313818508 1071268866 /nfs/dbraw/zinc/26/88/66/1071268866.db2.gz JFHMFYOPRYCUBV-UHFFFAOYSA-N 1 0 496.969 3.717 20 0 JHADRO CC[N@H+](CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2nccs2)C1)C(C)C ZINC001313819619 1071274339 /nfs/dbraw/zinc/27/43/39/1071274339.db2.gz CVUXSZGPZJORML-NRFANRHFSA-N 1 0 470.643 3.930 20 0 JHADRO CC[N@H+](CCn1c(CC2CC2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1)CCC(F)(F)F ZINC001313819600 1071274415 /nfs/dbraw/zinc/27/44/15/1071274415.db2.gz NBPIXYJYGPVAAS-QHCPKHFHSA-N 1 0 465.564 3.911 20 0 JHADRO C[N@H+](CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC001314867407 1071273858 /nfs/dbraw/zinc/27/38/58/1071273858.db2.gz XVFMULLZRVYYNN-HXUWFJFHSA-N 1 0 482.673 3.731 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccccc2F)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC001313821126 1071280691 /nfs/dbraw/zinc/28/06/91/1071280691.db2.gz SHXYKIZLDMREOT-UHFFFAOYSA-N 1 0 486.636 3.986 20 0 JHADRO CC[N@H+](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOC(C)(C)[C@@H]1C)C1CC1 ZINC001313821213 1071281669 /nfs/dbraw/zinc/28/16/69/1071281669.db2.gz APGASFNVPYLMFL-GBESFXJTSA-N 1 0 476.666 3.537 20 0 JHADRO CC[N@H+](CCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CCOC1)CCC(F)(F)F ZINC001313821648 1071282966 /nfs/dbraw/zinc/28/29/66/1071282966.db2.gz FPJWFKWLNFIBPW-LJQANCHMSA-N 1 0 464.536 3.781 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1)C(C)C ZINC001313826207 1071295530 /nfs/dbraw/zinc/29/55/30/1071295530.db2.gz JWLJWZACPYCBPQ-CPJSRVTESA-N 1 0 476.666 3.697 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1)C(C)C ZINC001313826161 1071295689 /nfs/dbraw/zinc/29/56/89/1071295689.db2.gz HPGCHQFCCSGBPK-DHIUTWEWSA-N 1 0 483.705 3.951 20 0 JHADRO O=C(Nc1cc(Br)cnc1OCC(F)(F)F)N1CCC([NH2+]C2CCC2)CC1 ZINC001310322870 1071306223 /nfs/dbraw/zinc/30/62/23/1071306223.db2.gz IVEWQJRTTVRROS-UHFFFAOYSA-N 1 0 451.287 3.924 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(-c4ccccc4)n3CC[NH+](C(C)C)C(C)C)CCO2)cn1 ZINC001313835498 1071314162 /nfs/dbraw/zinc/31/41/62/1071314162.db2.gz PYCSIXZUUUAGPQ-QHCPKHFHSA-N 1 0 451.619 3.858 20 0 JHADRO CN(CCOc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C1CC1)[NH+](C)C ZINC001314883335 1071310863 /nfs/dbraw/zinc/31/08/63/1071310863.db2.gz WTQSWLPVLCCCJV-OAQYLSRUSA-N 1 0 487.446 3.902 20 0 JHADRO CN(CCOc1cccc(Cl)c1)c1nnc(-c2cnn(C)c2)n1CC[NH+]1CCCCCC1 ZINC001314883364 1071310925 /nfs/dbraw/zinc/31/09/25/1071310925.db2.gz XFEADQHSRTVPQY-UHFFFAOYSA-N 1 0 458.010 3.723 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cn1 ZINC001313834418 1071311398 /nfs/dbraw/zinc/31/13/98/1071311398.db2.gz GCHAPJSBYVDZMS-QGDZQMKYSA-N 1 0 487.693 3.682 20 0 JHADRO CCn1cc(CN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC001313840196 1071324341 /nfs/dbraw/zinc/32/43/41/1071324341.db2.gz HBBKMSNXSAODFL-NHCUHLMSSA-N 1 0 464.662 3.873 20 0 JHADRO CCn1cc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)cn1 ZINC001313841119 1071325458 /nfs/dbraw/zinc/32/54/58/1071325458.db2.gz RDOFILPXRWLCRJ-NRFANRHFSA-N 1 0 451.550 3.757 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC001313841924 1071327290 /nfs/dbraw/zinc/32/72/90/1071327290.db2.gz KBALICFYMPGAJK-SQOUVECCSA-N 1 0 487.693 3.611 20 0 JHADRO Cc1ccc(NC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1OCC1CCOCC1 ZINC001310346851 1071328594 /nfs/dbraw/zinc/32/85/94/1071328594.db2.gz PHCJHMFRSVFAIL-UHFFFAOYSA-N 1 0 458.647 3.823 20 0 JHADRO CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC001310360036 1071337588 /nfs/dbraw/zinc/33/75/88/1071337588.db2.gz PKQRHTGZEAOJPG-UHFFFAOYSA-N 1 0 453.518 3.738 20 0 JHADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001310363419 1071340017 /nfs/dbraw/zinc/34/00/17/1071340017.db2.gz KKJZXRYJWBWTSP-NOZRDPDXSA-N 1 0 452.599 3.957 20 0 JHADRO Cc1c(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cccc1N1CCOC1=O ZINC001310366723 1071342999 /nfs/dbraw/zinc/34/29/99/1071342999.db2.gz WJLWOOFTHXIACR-LJQANCHMSA-N 1 0 452.555 3.973 20 0 JHADRO Cn1cc(C[N@@H+]2CCCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCC(F)(F)F)CC2)cn1 ZINC001314905259 1071343567 /nfs/dbraw/zinc/34/35/67/1071343567.db2.gz SVYBDDURIKNZJQ-WOJBJXKFSA-N 1 0 497.610 3.985 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001314916349 1071358272 /nfs/dbraw/zinc/35/82/72/1071358272.db2.gz AILSOVFPFKPPQD-UHFFFAOYSA-N 1 0 469.634 3.946 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H]2COCCO2)C[C@H]1C ZINC001313858554 1071360228 /nfs/dbraw/zinc/36/02/28/1071360228.db2.gz BOEIZWPFCWGNHU-HLLBOEOZSA-N 1 0 498.853 3.695 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CC(F)(F)CO2)C[C@@H]1C ZINC001313858526 1071359274 /nfs/dbraw/zinc/35/92/74/1071359274.db2.gz BKLSNTLGTWEBRP-MPGHIAIKSA-N 1 0 471.499 3.890 20 0 JHADRO C[NH+](C)C1(CNC(=O)Nc2ccc(F)cc2I)Cc2ccccc2C1 ZINC001310389007 1071361276 /nfs/dbraw/zinc/36/12/76/1071361276.db2.gz XVRAQJRHSWMCSR-UHFFFAOYSA-N 1 0 453.299 3.651 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC001313859183 1071362423 /nfs/dbraw/zinc/36/24/23/1071362423.db2.gz FKAQBWRVSPVTML-OALUTQOASA-N 1 0 475.641 3.704 20 0 JHADRO CN(C[C@H]1CC=CCC1)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314922932 1071366058 /nfs/dbraw/zinc/36/60/58/1071366058.db2.gz MPHPIVKMHAYYSE-AOMKIAJQSA-N 1 0 478.410 3.706 20 0 JHADRO CN1C[C@](C)(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1=O ZINC001314919969 1071363753 /nfs/dbraw/zinc/36/37/53/1071363753.db2.gz LEZMMMNEJROMER-XMMPIXPASA-N 1 0 459.038 3.635 20 0 JHADRO CN(CC1CCCCC1)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314922045 1071365598 /nfs/dbraw/zinc/36/55/98/1071365598.db2.gz CJDSXWJDTDTSBT-JOCHJYFZSA-N 1 0 462.436 3.791 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC(C)C)cc2)C[C@@H]1C ZINC001313859856 1071366525 /nfs/dbraw/zinc/36/65/25/1071366525.db2.gz LQFIJFCOMQBPOV-LEWJYISDSA-N 1 0 468.646 3.516 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001314926828 1071370016 /nfs/dbraw/zinc/37/00/16/1071370016.db2.gz FMEHUVLCCYXOJT-VXKWHMMOSA-N 1 0 497.688 3.878 20 0 JHADRO C[N@@H+]1CC[C@](O)(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCSC(C)(C)C2)C1 ZINC001314926751 1071370116 /nfs/dbraw/zinc/37/01/16/1071370116.db2.gz INPVXAAEGMCPJQ-RUZDIDTESA-N 1 0 473.687 3.553 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(F)F)C[C@@H]1C ZINC001313860708 1071370694 /nfs/dbraw/zinc/37/06/94/1071370694.db2.gz KWQRONJSCMKYTP-HOTGVXAUSA-N 1 0 483.633 3.511 20 0 JHADRO COC1CC[NH+](C2(CNC(=O)Nc3cccn(Cc4ccc(F)cc4)c3=O)CCCC2)CC1 ZINC001310405913 1071370969 /nfs/dbraw/zinc/37/09/69/1071370969.db2.gz FOZWZXWPBXINSE-UHFFFAOYSA-N 1 0 456.562 3.581 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313862657 1071377086 /nfs/dbraw/zinc/37/70/86/1071377086.db2.gz IMDNTCRGWWRGER-MOPGFXCFSA-N 1 0 494.644 3.993 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2CCOCC2)C[C@H]1C ZINC001313861211 1071373051 /nfs/dbraw/zinc/37/30/51/1071373051.db2.gz PHPNCIYJEDVGPQ-RTBURBONSA-N 1 0 489.064 3.597 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC001313861386 1071374162 /nfs/dbraw/zinc/37/41/62/1071374162.db2.gz PGZNFZKJVIMZAY-VQTJNVASSA-N 1 0 498.672 3.720 20 0 JHADRO C[N@@H+]1CCN(CCn2c(COc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)CC1(C)C ZINC001314931382 1071375485 /nfs/dbraw/zinc/37/54/85/1071375485.db2.gz SFHLGZGUJVCROC-UHFFFAOYSA-N 1 0 498.569 3.801 20 0 JHADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)N[C@@]23CCC[C@]2(OC)OCC3)cc1Cl ZINC001310422251 1071381348 /nfs/dbraw/zinc/38/13/48/1071381348.db2.gz LZFZMBAGLDINTN-PKTZIBPZSA-N 1 0 467.010 3.609 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN(C)CC(F)(F)F)C[C@H]1C ZINC001313863835 1071383199 /nfs/dbraw/zinc/38/31/99/1071383199.db2.gz UDJDGRMENDEUGA-FGTMMUONSA-N 1 0 486.558 3.970 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)ccc3Br)n2CCc2cn[nH]c2)C[C@H]1C ZINC001313863562 1071382530 /nfs/dbraw/zinc/38/25/30/1071382530.db2.gz WHPHTESNQFFPDY-HZPDHXFCSA-N 1 0 488.434 3.601 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC001313862772 1071378086 /nfs/dbraw/zinc/37/80/86/1071378086.db2.gz RJPHEXPGPHBFDW-OKZBNKHCSA-N 1 0 469.552 3.988 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(F)(F)F)C[C@@H]1C ZINC001313862670 1071378617 /nfs/dbraw/zinc/37/86/17/1071378617.db2.gz UEWBYIXBVGJRRP-HOTGVXAUSA-N 1 0 473.565 3.610 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001313863233 1071380374 /nfs/dbraw/zinc/38/03/74/1071380374.db2.gz SFSBPIYXDROUKC-ZJOUEHCJSA-N 1 0 451.619 3.736 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314933550 1071380501 /nfs/dbraw/zinc/38/05/01/1071380501.db2.gz DICGOEPJOYPABW-UHFFFAOYSA-N 1 0 491.478 3.790 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001313863231 1071380691 /nfs/dbraw/zinc/38/06/91/1071380691.db2.gz SFSBPIYXDROUKC-IRFCIJBXSA-N 1 0 451.619 3.736 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC001313863324 1071381198 /nfs/dbraw/zinc/38/11/98/1071381198.db2.gz CWLWBMYAEQHTAD-RBUKOAKNSA-N 1 0 463.630 3.717 20 0 JHADRO CN(c1ccccc1NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)S(C)(=O)=O ZINC001310426140 1071384387 /nfs/dbraw/zinc/38/43/87/1071384387.db2.gz HWLFWWBOAQTVTN-HXUWFJFHSA-N 1 0 450.992 3.694 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@H]1C ZINC001313864103 1071385223 /nfs/dbraw/zinc/38/52/23/1071385223.db2.gz LUFYPLFTDSKTMT-CHWSQXEVSA-N 1 0 459.948 3.919 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314936696 1071385954 /nfs/dbraw/zinc/38/59/54/1071385954.db2.gz JMQDXNYMWQTVHK-UHFFFAOYSA-N 1 0 465.017 3.820 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001313864453 1071386500 /nfs/dbraw/zinc/38/65/00/1071386500.db2.gz VCEZWNZXGVFTPA-CEXWTWQISA-N 1 0 478.037 3.532 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001314937286 1071387324 /nfs/dbraw/zinc/38/73/24/1071387324.db2.gz SFGCLBYPORCDLB-GOSISDBHSA-N 1 0 459.038 3.683 20 0 JHADRO CCn1cccc(Cn2c(-c3ccccc3Br)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1=O ZINC001313865123 1071391307 /nfs/dbraw/zinc/39/13/07/1071391307.db2.gz HWEWVLWNQNBRMY-ZWKOTPCHSA-N 1 0 499.457 3.856 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2Cc2nccc(C(F)F)n2)C[C@@H]1C ZINC001313865475 1071391988 /nfs/dbraw/zinc/39/19/88/1071391988.db2.gz BAFHMHMTNCMBCK-ROUUACIJSA-N 1 0 455.557 3.758 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C[C@@H]1C ZINC001313865595 1071393032 /nfs/dbraw/zinc/39/30/32/1071393032.db2.gz BLOAMJWYFZQWGS-HOIFWPIMSA-N 1 0 496.553 3.941 20 0 JHADRO Cn1cc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc(Br)c1=O ZINC001310435951 1071389161 /nfs/dbraw/zinc/38/91/61/1071389161.db2.gz PYGOQPWWDAUTMQ-QGZVFWFLSA-N 1 0 459.388 3.572 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2cc(Br)cs2)C[C@H]1C ZINC001313865027 1071389985 /nfs/dbraw/zinc/38/99/85/1071389985.db2.gz NOGBQNDTWDVVFU-ZIAGYGMSSA-N 1 0 462.421 3.526 20 0 JHADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)N2CC[C@@H](C3CCOCC3)C2)ccc1Cl ZINC001310446740 1071394969 /nfs/dbraw/zinc/39/49/69/1071394969.db2.gz PAERHUKKSWXSHU-GOSISDBHSA-N 1 0 451.011 3.692 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313866945 1071397461 /nfs/dbraw/zinc/39/74/61/1071397461.db2.gz RIMXMWYFOWGYOY-RBUKOAKNSA-N 1 0 486.665 3.738 20 0 JHADRO CCOC(=O)c1cc2cc(NC(=O)NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)ccc2s1 ZINC001310453878 1071398248 /nfs/dbraw/zinc/39/82/48/1071398248.db2.gz RWURTYSXHGOENA-FQEVSTJZSA-N 1 0 453.564 3.966 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2Cc2conc2COC)C[C@H]1C ZINC001313867250 1071400034 /nfs/dbraw/zinc/40/00/34/1071400034.db2.gz ISSDAJNAHVPWKX-UXHICEINSA-N 1 0 452.603 3.555 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313867412 1071400092 /nfs/dbraw/zinc/40/00/92/1071400092.db2.gz KGAZRQZGGZYCEU-ZIFCJYIRSA-N 1 0 478.037 3.810 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313867706 1071400849 /nfs/dbraw/zinc/40/08/49/1071400849.db2.gz AGQFTZSYNUCRLY-DLBZAZTESA-N 1 0 475.519 3.752 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001313868612 1071402383 /nfs/dbraw/zinc/40/23/83/1071402383.db2.gz MKAAYVAJFQNBBX-ROUUACIJSA-N 1 0 459.635 3.860 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001314945381 1071402956 /nfs/dbraw/zinc/40/29/56/1071402956.db2.gz RYUUVRJIYJDBPS-UHFFFAOYSA-N 1 0 484.689 3.804 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCO[C@@H]2C(C)C)C[C@@H]1C ZINC001313868166 1071403522 /nfs/dbraw/zinc/40/35/22/1071403522.db2.gz BCGKBUZUPKZWHU-VCWGXOKSSA-N 1 0 455.647 3.858 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001314945968 1071404258 /nfs/dbraw/zinc/40/42/58/1071404258.db2.gz XDUPWXXGYRJLRM-UHFFFAOYSA-N 1 0 482.673 3.701 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314946525 1071404943 /nfs/dbraw/zinc/40/49/43/1071404943.db2.gz STVBHEQGKOKVHD-KDOFPFPSSA-N 1 0 479.412 3.966 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001313869028 1071407334 /nfs/dbraw/zinc/40/73/34/1071407334.db2.gz POBZXQZBRCZPHQ-CVEARBPZSA-N 1 0 465.017 3.819 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCc2ccccn2)C[C@H]1C ZINC001313869511 1071407478 /nfs/dbraw/zinc/40/74/78/1071407478.db2.gz PVPSWONELRMYRY-RTBURBONSA-N 1 0 450.587 3.519 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cccnc2OCCOC)C[C@H]1C ZINC001313869964 1071411523 /nfs/dbraw/zinc/41/15/23/1071411523.db2.gz DFFGYLUZNUDYFE-UXHICEINSA-N 1 0 499.059 3.910 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313870047 1071411581 /nfs/dbraw/zinc/41/15/81/1071411581.db2.gz FBVAEWMMMXHWHH-VQTJNVASSA-N 1 0 478.645 3.781 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001313870179 1071412201 /nfs/dbraw/zinc/41/22/01/1071412201.db2.gz SUIKDACCVYVCEL-VQTJNVASSA-N 1 0 466.655 3.588 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(CC)(CC)SC)C[C@H]1C ZINC001313870397 1071413404 /nfs/dbraw/zinc/41/34/04/1071413404.db2.gz RCFYLRGYBGSDJD-MOPGFXCFSA-N 1 0 483.690 3.762 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCc2nccs2)C[C@H]1C ZINC001313870635 1071414123 /nfs/dbraw/zinc/41/41/23/1071414123.db2.gz VEMCLPKJFTXSRX-RTBURBONSA-N 1 0 454.644 3.690 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2Cc2ccnc(OC(F)F)c2)C[C@@H]1C ZINC001313870599 1071414267 /nfs/dbraw/zinc/41/42/67/1071414267.db2.gz DZDRHNQFMIVKPV-DLBZAZTESA-N 1 0 474.531 3.972 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccc(C(F)F)n2)C[C@H]1C ZINC001313871554 1071417578 /nfs/dbraw/zinc/41/75/78/1071417578.db2.gz UJZXGAVLKMJGHT-HZPDHXFCSA-N 1 0 487.555 3.657 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC001313871781 1071418326 /nfs/dbraw/zinc/41/83/26/1071418326.db2.gz HLYUFJTTZNKCJH-QZTJIDSGSA-N 1 0 455.006 3.893 20 0 JHADRO C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)CCN1c1cc[nH+]cc1 ZINC001310476125 1071418333 /nfs/dbraw/zinc/41/83/33/1071418333.db2.gz VKBZJMSZTIHUSM-GOSISDBHSA-N 1 0 451.552 3.625 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC001313872824 1071422688 /nfs/dbraw/zinc/42/26/88/1071422688.db2.gz XNRPVYRMVRHFPA-MSOLQXFVSA-N 1 0 459.635 3.860 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313872273 1071421102 /nfs/dbraw/zinc/42/11/02/1071421102.db2.gz VZYTYQVSNLZDQA-ONTIZHBOSA-N 1 0 483.661 3.669 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313872501 1071421953 /nfs/dbraw/zinc/42/19/53/1071421953.db2.gz AXBDWFIZTTXADD-CEXWTWQISA-N 1 0 498.569 3.799 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)Nc1cnc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2)c1ccccc1 ZINC001310482168 1071423775 /nfs/dbraw/zinc/42/37/75/1071423775.db2.gz MINOKSCGMYYOOJ-KNQAVFIVSA-N 1 0 453.587 3.888 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001314953604 1071425080 /nfs/dbraw/zinc/42/50/80/1071425080.db2.gz WEUSKPHIMXPQMV-MSOLQXFVSA-N 1 0 491.478 3.790 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC001313874038 1071427198 /nfs/dbraw/zinc/42/71/98/1071427198.db2.gz FYQNTZJQDAMGST-RBUKOAKNSA-N 1 0 473.572 3.708 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001313874314 1071427259 /nfs/dbraw/zinc/42/72/59/1071427259.db2.gz NLHPNLGCZACCSM-QZTJIDSGSA-N 1 0 461.054 3.604 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C[C@@H]1C ZINC001313874170 1071427835 /nfs/dbraw/zinc/42/78/35/1071427835.db2.gz GJXGYJSSPYDBMC-ROUUACIJSA-N 1 0 458.010 3.520 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001313874624 1071429416 /nfs/dbraw/zinc/42/94/16/1071429416.db2.gz BFFVZAOYDMIMNQ-UHFFFAOYSA-N 1 0 468.646 3.884 20 0 JHADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)cc1)C[C@@H]1CCCCO1 ZINC001310490843 1071430135 /nfs/dbraw/zinc/43/01/35/1071430135.db2.gz PXBPTGZOWBOMIK-GOTSBHOMSA-N 1 0 456.562 3.953 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCCC2)C[C@@H]1C ZINC001313874742 1071430387 /nfs/dbraw/zinc/43/03/87/1071430387.db2.gz JVQADUFSPKBYIC-RBUKOAKNSA-N 1 0 474.675 3.538 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001314956740 1071430735 /nfs/dbraw/zinc/43/07/35/1071430735.db2.gz CBWBOHFCHFCCRL-HXUWFJFHSA-N 1 0 454.663 3.597 20 0 JHADRO CCN1C[C@@H](CN(C)c2nnc([C@H]3CCOC3)n2CC[NH+](C(C)C)C(C)C)Oc2ccccc21 ZINC001313875262 1071433000 /nfs/dbraw/zinc/43/30/00/1071433000.db2.gz FPLYQNQDCDNNAV-FCHUYYIVSA-N 1 0 470.662 3.625 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2Cl)CC1 ZINC001313876344 1071437481 /nfs/dbraw/zinc/43/74/81/1071437481.db2.gz LZIUPQBEHLCSEU-UHFFFAOYSA-N 1 0 459.038 3.926 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001313876246 1071437581 /nfs/dbraw/zinc/43/75/81/1071437581.db2.gz ISOZJQBAJXAHNN-IBGZPJMESA-N 1 0 489.064 3.692 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001313875539 1071435389 /nfs/dbraw/zinc/43/53/89/1071435389.db2.gz MOQXLLBFRFRQFE-WOJBJXKFSA-N 1 0 480.661 3.877 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)cc2)C[C@@H]1C ZINC001313876971 1071439868 /nfs/dbraw/zinc/43/98/68/1071439868.db2.gz PSSXOEIMWZCARD-ZWKOTPCHSA-N 1 0 470.618 3.570 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C(C)C)cs2)C[C@H]1C ZINC001313877048 1071439915 /nfs/dbraw/zinc/43/99/15/1071439915.db2.gz QXMSOHNMXQAINA-MOPGFXCFSA-N 1 0 456.664 3.687 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cc(Cl)cn2)C[C@@H]1C ZINC001313877016 1071439944 /nfs/dbraw/zinc/43/99/44/1071439944.db2.gz QFPPABMIZZKHTN-PMACEKPBSA-N 1 0 472.037 3.943 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313876130 1071436690 /nfs/dbraw/zinc/43/66/90/1071436690.db2.gz QZMVCUBPUZUBCY-ROUUACIJSA-N 1 0 470.559 3.811 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313876002 1071436745 /nfs/dbraw/zinc/43/67/45/1071436745.db2.gz NQQOZTBMXOZYCC-RTWAWAEBSA-N 1 0 464.614 3.845 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001313877860 1071443094 /nfs/dbraw/zinc/44/30/94/1071443094.db2.gz YXIPSOHKRGGTIP-OAQYLSRUSA-N 1 0 490.599 3.773 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001313877782 1071443171 /nfs/dbraw/zinc/44/31/71/1071443171.db2.gz WIVYRRICRXTFFY-SFHVURJKSA-N 1 0 477.028 3.951 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001314964977 1071444369 /nfs/dbraw/zinc/44/43/69/1071444369.db2.gz GRIMVBZXEPCZML-VWLOTQADSA-N 1 0 490.599 3.773 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)C[C@@H]1C ZINC001313878259 1071444571 /nfs/dbraw/zinc/44/45/71/1071444571.db2.gz WDIZOCUYKWCQIK-ONTIZHBOSA-N 1 0 485.677 3.732 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOc2ccc(OC)cc2)C[C@H]1C ZINC001313878787 1071445918 /nfs/dbraw/zinc/44/59/18/1071445918.db2.gz VRLKIABPQCJTDN-YADHBBJMSA-N 1 0 481.645 3.536 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCCOC2)C[C@@H]1C ZINC001313878342 1071444604 /nfs/dbraw/zinc/44/46/04/1071444604.db2.gz UHRDZQYIOHSZTN-GBESFXJTSA-N 1 0 492.462 3.965 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001314967228 1071452199 /nfs/dbraw/zinc/45/21/99/1071452199.db2.gz BSZFSAGUBYXJIA-SANMLTNESA-N 1 0 465.646 3.898 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3Cl)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001313880285 1071452534 /nfs/dbraw/zinc/45/25/34/1071452534.db2.gz HUEFWUZKRRPGNW-XMMPIXPASA-N 1 0 459.038 3.683 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(OC)cc3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001313880797 1071453183 /nfs/dbraw/zinc/45/31/83/1071453183.db2.gz NKHLCJPBFPIZPM-UHFFFAOYSA-N 1 0 498.672 3.990 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3ccc(C)cc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001313881155 1071454009 /nfs/dbraw/zinc/45/40/09/1071454009.db2.gz GHGFJYFQJJJSIM-UHFFFAOYSA-N 1 0 482.673 3.592 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)CC1 ZINC001313881116 1071454037 /nfs/dbraw/zinc/45/40/37/1071454037.db2.gz QRIJKPFWUGTOFS-UHFFFAOYSA-N 1 0 492.590 3.962 20 0 JHADRO CC[NH+]1CCC(CCn2c(N3CCN(Cc4csc(C)n4)CC3)nnc2C(C)(C)C)CC1 ZINC001313881135 1071454069 /nfs/dbraw/zinc/45/40/69/1071454069.db2.gz FWMHNWFFAVFBQG-UHFFFAOYSA-N 1 0 459.708 3.785 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001314971730 1071458908 /nfs/dbraw/zinc/45/89/08/1071458908.db2.gz PEPRJWRMDHGOBH-RBJSKKJNSA-N 1 0 496.700 3.545 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)C1 ZINC001313882856 1071459608 /nfs/dbraw/zinc/45/96/08/1071459608.db2.gz AIZQRCFTPKAIQK-AQNXPRMDSA-N 1 0 456.660 3.819 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001313882878 1071459760 /nfs/dbraw/zinc/45/97/60/1071459760.db2.gz ARHRMUJRGBNMLR-FPOVZHCZSA-N 1 0 486.636 3.594 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001313882960 1071460805 /nfs/dbraw/zinc/46/08/05/1071460805.db2.gz BXAHHVJMYRKHOF-QTJGBDASSA-N 1 0 482.673 3.729 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(C(C)C)nnc2N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313883445 1071461320 /nfs/dbraw/zinc/46/13/20/1071461320.db2.gz HKHSLEIMUFIKRR-PWRODBHTSA-N 1 0 460.667 3.873 20 0 JHADRO CC[NH+]1CCC(CCn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001313883193 1071461332 /nfs/dbraw/zinc/46/13/32/1071461332.db2.gz PYFAQQFELWPTOX-JOCHJYFZSA-N 1 0 469.630 3.677 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001313883312 1071461466 /nfs/dbraw/zinc/46/14/66/1071461466.db2.gz RXNXZUOOVXHIGQ-UHFFFAOYSA-N 1 0 457.573 3.639 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001313883493 1071461998 /nfs/dbraw/zinc/46/19/98/1071461998.db2.gz IDVYUYHYWBAMBK-UYAOXDASSA-N 1 0 489.064 3.766 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)OC2CCCC2)C1 ZINC001313884536 1071464095 /nfs/dbraw/zinc/46/40/95/1071464095.db2.gz QFIXGMKYRPQAMO-HNNXBMFYSA-N 1 0 451.413 3.698 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001313884786 1071464981 /nfs/dbraw/zinc/46/49/81/1071464981.db2.gz SYZKCYHZKPASRO-SJORKVTESA-N 1 0 469.540 3.743 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2ccc(I)cc2)C[C@@H]1C ZINC001313885499 1071467263 /nfs/dbraw/zinc/46/72/63/1071467263.db2.gz PGBOHNDCLNSXQI-FRQCXROJSA-N 1 0 495.409 3.701 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2ccc(OC)cc2)C[C@H]1C ZINC001313885846 1071468330 /nfs/dbraw/zinc/46/83/30/1071468330.db2.gz QOOCVXCZASZGKR-XBJMDHIQSA-N 1 0 485.673 3.907 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(-c3cccn3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001314976376 1071468901 /nfs/dbraw/zinc/46/89/01/1071468901.db2.gz MXAPRVBEMSDAQK-OYRHEFFESA-N 1 0 477.657 3.648 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC[C@@H](CCOC)C2)C1 ZINC001313889723 1071480821 /nfs/dbraw/zinc/48/08/21/1071480821.db2.gz UOBYWHNTEAUINA-LEWJYISDSA-N 1 0 490.693 3.597 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(N(C)Cc3cc(Cl)ccc3OC)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001313889589 1071480860 /nfs/dbraw/zinc/48/08/60/1071480860.db2.gz IKRSVHRNZGQCSB-DFBJGRDBSA-N 1 0 492.064 3.959 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001314979689 1071479881 /nfs/dbraw/zinc/47/98/81/1071479881.db2.gz OVRUTPQEAYTJOF-UHFFFAOYSA-N 1 0 495.697 3.752 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001313890602 1071483100 /nfs/dbraw/zinc/48/31/00/1071483100.db2.gz NZHAUUWMTTVVJM-LJQANCHMSA-N 1 0 489.064 3.547 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@H](OCCOC)C2)C1 ZINC001313891103 1071483805 /nfs/dbraw/zinc/48/38/05/1071483805.db2.gz RJUAEACMCYWJFL-AEFFLSMTSA-N 1 0 468.429 3.835 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001313890991 1071483839 /nfs/dbraw/zinc/48/38/39/1071483839.db2.gz RQQUHNIHKFRGGB-QTEQDKRBSA-N 1 0 455.647 3.704 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001313891128 1071484598 /nfs/dbraw/zinc/48/45/98/1071484598.db2.gz SPKVGPNVLNUFNF-IRLDBZIGSA-N 1 0 491.727 3.624 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313892834 1071488554 /nfs/dbraw/zinc/48/85/54/1071488554.db2.gz JCVFTURSRZJFSR-NJDAHSKKSA-N 1 0 475.609 3.672 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001313893643 1071490826 /nfs/dbraw/zinc/49/08/26/1071490826.db2.gz PGWMMBQNYQBZFF-LRXVAGHRSA-N 1 0 496.027 3.857 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)C1 ZINC001313893892 1071491600 /nfs/dbraw/zinc/49/16/00/1071491600.db2.gz QBEOZINQHOFRJW-MBDNFAEBSA-N 1 0 490.693 3.596 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC[N@H+](CC)C2)C1)CC(F)(F)F ZINC001313894312 1071493328 /nfs/dbraw/zinc/49/33/28/1071493328.db2.gz SFQMETKXHFSVMY-PMACEKPBSA-N 1 0 479.595 3.701 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001314986441 1071494513 /nfs/dbraw/zinc/49/45/13/1071494513.db2.gz SNLVVGHOALBIGF-KCZVDYSFSA-N 1 0 486.636 3.640 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313895201 1071495753 /nfs/dbraw/zinc/49/57/53/1071495753.db2.gz YYAMQWDNJNEYPS-PCCBWWKXSA-N 1 0 486.636 3.735 20 0 JHADRO CCn1nc(-c2nnc(N(C)[C@@H](C)CCSC)n2C[C@H]2CC[N@H+](CC)C2)c2ccccc2c1=O ZINC001313895764 1071497942 /nfs/dbraw/zinc/49/79/42/1071497942.db2.gz VWNGTAIDZMUJPU-OALUTQOASA-N 1 0 483.686 3.595 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313897557 1071502880 /nfs/dbraw/zinc/50/28/80/1071502880.db2.gz YMCDRBJOODAYDF-RBUKOAKNSA-N 1 0 458.607 3.824 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001313896363 1071499283 /nfs/dbraw/zinc/49/92/83/1071499283.db2.gz OGOWMLNQMGJCTF-DFQSSKMNSA-N 1 0 492.462 3.740 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001313896543 1071500336 /nfs/dbraw/zinc/50/03/36/1071500336.db2.gz FGVSLRXKIZFGHV-GDBMZVCRSA-N 1 0 454.438 3.932 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCCC(=O)NC ZINC001313896864 1071501251 /nfs/dbraw/zinc/50/12/51/1071501251.db2.gz RXDBOZJXJZXLFG-MJGOQNOKSA-N 1 0 458.676 3.578 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCN1CCOCC1 ZINC001313897642 1071503403 /nfs/dbraw/zinc/50/34/03/1071503403.db2.gz ZZDPHBCNFDNVEU-SFHVURJKSA-N 1 0 467.445 3.505 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001313897977 1071504332 /nfs/dbraw/zinc/50/43/32/1071504332.db2.gz ZOHZNNJHQACLTL-HKUYNNGSSA-N 1 0 451.537 3.998 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(C)=C(Br)C1 ZINC001313899227 1071507803 /nfs/dbraw/zinc/50/78/03/1071507803.db2.gz HRXNADQUGDPNIS-KRWDZBQOSA-N 1 0 465.465 3.997 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001314993073 1071509209 /nfs/dbraw/zinc/50/92/09/1071509209.db2.gz FHNDDEXJQZFZBZ-HSZRJFAPSA-N 1 0 482.673 3.558 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OC)c(OC)c1 ZINC001313901253 1071510809 /nfs/dbraw/zinc/51/08/09/1071510809.db2.gz DTUXLLHXXSCUSI-FQEVSTJZSA-N 1 0 450.587 3.786 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313901693 1071511805 /nfs/dbraw/zinc/51/18/05/1071511805.db2.gz SRRBHLULGDVMOE-IRLDBZIGSA-N 1 0 484.664 3.871 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc(OC)cc1 ZINC001313902579 1071513150 /nfs/dbraw/zinc/51/31/50/1071513150.db2.gz GQRTUOBXIVEQSD-IFMALSPDSA-N 1 0 451.619 3.830 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(F)(F)CC1 ZINC001313902944 1071514141 /nfs/dbraw/zinc/51/41/41/1071514141.db2.gz AOPQZUUPVFMXHV-FGTMMUONSA-N 1 0 468.593 3.769 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1C ZINC001313903517 1071515536 /nfs/dbraw/zinc/51/55/36/1071515536.db2.gz NAIKWOIDLKAMSH-HXUWFJFHSA-N 1 0 452.628 3.699 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001314997512 1071516380 /nfs/dbraw/zinc/51/63/80/1071516380.db2.gz UNTUGBAKKUCSSI-OYNPSCLESA-N 1 0 488.702 3.524 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314997800 1071517068 /nfs/dbraw/zinc/51/70/68/1071517068.db2.gz YINJIIJFCYODMM-FDFHNCONSA-N 1 0 484.714 3.962 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 ZINC001313903980 1071517735 /nfs/dbraw/zinc/51/77/35/1071517735.db2.gz GJVYVCFFSQQHHT-FQEVSTJZSA-N 1 0 471.005 3.965 20 0 JHADRO CNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001314998399 1071518119 /nfs/dbraw/zinc/51/81/19/1071518119.db2.gz ILEFBKWYYDMLFU-JOCHJYFZSA-N 1 0 452.647 3.666 20 0 JHADRO CNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001314998636 1071518551 /nfs/dbraw/zinc/51/85/51/1071518551.db2.gz LYPMYLPNHFWPJK-QFIPXVFZSA-N 1 0 466.674 3.840 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313906596 1071524252 /nfs/dbraw/zinc/52/42/52/1071524252.db2.gz ZWNZVJCNTUJANM-FGZHOGPDSA-N 1 0 498.672 3.830 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313906545 1071524267 /nfs/dbraw/zinc/52/42/67/1071524267.db2.gz XQAGCGMOWCKXNY-BHDDXSALSA-N 1 0 468.646 3.611 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001313906651 1071524836 /nfs/dbraw/zinc/52/48/36/1071524836.db2.gz YHAXPMMYBHPHBM-QUCCMNQESA-N 1 0 457.619 3.840 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001313906635 1071524851 /nfs/dbraw/zinc/52/48/51/1071524851.db2.gz YDLCODMRUFCQEP-DENIHFKCSA-N 1 0 459.038 3.778 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313906787 1071525727 /nfs/dbraw/zinc/52/57/27/1071525727.db2.gz ZZMKKTZCUYEZGG-SFHVURJKSA-N 1 0 478.588 3.772 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 ZINC001313905719 1071522058 /nfs/dbraw/zinc/52/20/58/1071522058.db2.gz QWFPYRFIMWGEOB-CWKRKGSWSA-N 1 0 459.610 3.818 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1Cc2ccc(Br)cc2C1 ZINC001313906289 1071523517 /nfs/dbraw/zinc/52/35/17/1071523517.db2.gz PJFLMOQGMNTFEU-IBGZPJMESA-N 1 0 475.435 3.573 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C)CC1 ZINC001313907310 1071527361 /nfs/dbraw/zinc/52/73/61/1071527361.db2.gz BQBCZXQUEGZIAR-FPOVZHCZSA-N 1 0 459.660 3.849 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313907240 1071527400 /nfs/dbraw/zinc/52/74/00/1071527400.db2.gz ARLCDNJVNZDIKZ-SBUREZEXSA-N 1 0 463.001 3.574 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315002734 1071527673 /nfs/dbraw/zinc/52/76/73/1071527673.db2.gz HSECQAZULBFTGW-HXUWFJFHSA-N 1 0 470.687 3.573 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C)C1 ZINC001313907574 1071528074 /nfs/dbraw/zinc/52/80/74/1071528074.db2.gz IHTGNJGKXGLKEC-WBVHZDCISA-N 1 0 466.399 3.946 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001313909205 1071531947 /nfs/dbraw/zinc/53/19/47/1071531947.db2.gz CFTCKHXCCZQPAF-RTWAWAEBSA-N 1 0 476.666 3.697 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313909357 1071532503 /nfs/dbraw/zinc/53/25/03/1071532503.db2.gz OLCSTLUVVXRKOO-PKTZIBPZSA-N 1 0 497.688 3.832 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313909708 1071533061 /nfs/dbraw/zinc/53/30/61/1071533061.db2.gz UCVKFBDJVOEHRF-YVWKXTFCSA-N 1 0 467.536 3.984 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313909706 1071533266 /nfs/dbraw/zinc/53/32/66/1071533266.db2.gz UCVKFBDJVOEHRF-ILZDJORESA-N 1 0 467.536 3.984 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313909875 1071533979 /nfs/dbraw/zinc/53/39/79/1071533979.db2.gz SXVLCZVZRBRJPY-GMAHTHKFSA-N 1 0 468.646 3.605 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313910753 1071536638 /nfs/dbraw/zinc/53/66/38/1071536638.db2.gz GRQVGMRJVJWFHM-FCHUYYIVSA-N 1 0 459.610 3.513 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313910626 1071535047 /nfs/dbraw/zinc/53/50/47/1071535047.db2.gz XQRCGXNDXDXMEO-REWPJTCUSA-N 1 0 496.681 3.739 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(CCOC)CC(C)C ZINC001313911655 1071537735 /nfs/dbraw/zinc/53/77/35/1071537735.db2.gz QHXYPFVKTDNYET-IBGZPJMESA-N 1 0 467.618 3.577 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313911928 1071538364 /nfs/dbraw/zinc/53/83/64/1071538364.db2.gz STFWQTIFVINMJV-CEWLAPEOSA-N 1 0 469.634 3.564 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@@H](C)C1 ZINC001313912875 1071541202 /nfs/dbraw/zinc/54/12/02/1071541202.db2.gz OIDJWMBKYUHAEL-RBBKRZOGSA-N 1 0 490.693 3.882 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@H](C)C1 ZINC001313912873 1071541220 /nfs/dbraw/zinc/54/12/20/1071541220.db2.gz OIDJWMBKYUHAEL-IRLDBZIGSA-N 1 0 490.693 3.882 20 0 JHADRO CCN1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](CC(C)C)[NH+](C)C)CC1=O ZINC001313913131 1071542393 /nfs/dbraw/zinc/54/23/93/1071542393.db2.gz IZXJUXFOLRANAT-CTNGQTDRSA-N 1 0 474.625 3.592 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC(CO)CC1 ZINC001313912974 1071541719 /nfs/dbraw/zinc/54/17/19/1071541719.db2.gz JRLJCCCZDSQVIK-HXUWFJFHSA-N 1 0 459.660 3.662 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315024875 1071548046 /nfs/dbraw/zinc/54/80/46/1071548046.db2.gz IHUQHZJDXSUOCF-MRXNPFEDSA-N 1 0 494.482 3.509 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001315024908 1071548145 /nfs/dbraw/zinc/54/81/45/1071548145.db2.gz IMDFXITVCTZLET-UHFFFAOYSA-N 1 0 466.674 3.833 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001313914337 1071546809 /nfs/dbraw/zinc/54/68/09/1071546809.db2.gz MMPMWHBXUJYOMP-OKYOBFRVSA-N 1 0 459.557 3.655 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nnc1C(C)(C)C ZINC001313914447 1071547516 /nfs/dbraw/zinc/54/75/16/1071547516.db2.gz NERDKMOWIMZOAA-ZCNNSNEGSA-N 1 0 460.667 3.753 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001315024796 1071548006 /nfs/dbraw/zinc/54/80/06/1071548006.db2.gz UMCAFAUKCDREFX-QFIPXVFZSA-N 1 0 484.645 3.725 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315027072 1071553295 /nfs/dbraw/zinc/55/32/95/1071553295.db2.gz PBXKLRFLIFKTCV-SFHVURJKSA-N 1 0 477.053 3.690 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001315025020 1071548680 /nfs/dbraw/zinc/54/86/80/1071548680.db2.gz JGVFEYOOOCHWBR-UHFFFAOYSA-N 1 0 484.714 3.538 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313914760 1071548774 /nfs/dbraw/zinc/54/87/74/1071548774.db2.gz NPJCIUDDYJAJFN-PQNGQFLHSA-N 1 0 465.708 3.771 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001313915251 1071550444 /nfs/dbraw/zinc/55/04/44/1071550444.db2.gz XEDRYDUSRHEUKX-QFIPXVFZSA-N 1 0 486.636 3.797 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+](C(C)C)C(C)C)CC1=O ZINC001313916383 1071552465 /nfs/dbraw/zinc/55/24/65/1071552465.db2.gz BENVEMJFMQBHPC-UHFFFAOYSA-N 1 0 497.507 3.947 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315029639 1071558320 /nfs/dbraw/zinc/55/83/20/1071558320.db2.gz DWKTWAFZGPATDA-KBMIEXCESA-N 1 0 475.081 3.995 20 0 JHADRO CNC(=O)CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315031179 1071560513 /nfs/dbraw/zinc/56/05/13/1071560513.db2.gz FJHJIKWCCKXTGQ-HHJKRLRDSA-N 1 0 474.625 3.640 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)Cc2ccco2)CC1 ZINC001313921845 1071562694 /nfs/dbraw/zinc/56/26/94/1071562694.db2.gz SZBFJKXWCDSGFA-SFHVURJKSA-N 1 0 487.446 3.963 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313923885 1071569006 /nfs/dbraw/zinc/56/90/06/1071569006.db2.gz ACCDKUHUNRFMDP-YADHBBJMSA-N 1 0 484.689 3.861 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313924242 1071569531 /nfs/dbraw/zinc/56/95/31/1071569531.db2.gz CYJSVWXWCWBGIK-OAQYLSRUSA-N 1 0 467.637 3.864 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001315036775 1071569718 /nfs/dbraw/zinc/56/97/18/1071569718.db2.gz TVUGMCZODJRQSD-IBGZPJMESA-N 1 0 451.619 3.653 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313924806 1071571544 /nfs/dbraw/zinc/57/15/44/1071571544.db2.gz JCANUUFWULJOHN-ATIYNZHBSA-N 1 0 454.663 3.675 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313925036 1071572046 /nfs/dbraw/zinc/57/20/46/1071572046.db2.gz LIWVEHDABAKMHH-OFNKIYASSA-N 1 0 472.703 3.702 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313925205 1071572810 /nfs/dbraw/zinc/57/28/10/1071572810.db2.gz MUOASVZMIZSAMQ-OALUTQOASA-N 1 0 461.054 3.628 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001313925426 1071573931 /nfs/dbraw/zinc/57/39/31/1071573931.db2.gz QCGLDSOFDCMISZ-QGZVFWFLSA-N 1 0 490.002 3.934 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313925729 1071574145 /nfs/dbraw/zinc/57/41/45/1071574145.db2.gz BMIJPVNWESIISA-UPVQGACJSA-N 1 0 498.716 3.687 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC=CCC2)CC1 ZINC001313926314 1071576072 /nfs/dbraw/zinc/57/60/72/1071576072.db2.gz XBONBKPBNJNLFS-OAQYLSRUSA-N 1 0 468.646 3.533 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313926184 1071575451 /nfs/dbraw/zinc/57/54/51/1071575451.db2.gz AZXHDZPBHZQLAF-GOTSBHOMSA-N 1 0 486.730 3.832 20 0 JHADRO CNC(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001315043887 1071576146 /nfs/dbraw/zinc/57/61/46/1071576146.db2.gz NROKWOSCNQITSI-RTWAWAEBSA-N 1 0 486.636 3.642 20 0 JHADRO CNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001315045816 1071577128 /nfs/dbraw/zinc/57/71/28/1071577128.db2.gz UTTFWVXPARMXIQ-HXUWFJFHSA-N 1 0 468.646 3.571 20 0 JHADRO CNC(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001315051812 1071579011 /nfs/dbraw/zinc/57/90/11/1071579011.db2.gz GRDUPDZXHVUVEW-FQEVSTJZSA-N 1 0 489.064 3.739 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313927723 1071581318 /nfs/dbraw/zinc/58/13/18/1071581318.db2.gz JUAOKIBDSLSTOO-JTHBVZDNSA-N 1 0 461.658 3.914 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313927344 1071579796 /nfs/dbraw/zinc/57/97/96/1071579796.db2.gz JSGJBKBUDHOTSM-WOJBJXKFSA-N 1 0 483.611 3.766 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3cc(OC)c(OC)cc3CC2)CC1 ZINC001313927725 1071581368 /nfs/dbraw/zinc/58/13/68/1071581368.db2.gz JVOJJWFVJXQRRF-NRFANRHFSA-N 1 0 498.716 3.515 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(C)(C)C)CC1 ZINC001313927857 1071581921 /nfs/dbraw/zinc/58/19/21/1071581921.db2.gz PGFSDFXJMGIHIO-QFIPXVFZSA-N 1 0 456.679 3.982 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313927803 1071582064 /nfs/dbraw/zinc/58/20/64/1071582064.db2.gz NKQPVTNGAYJNGG-XZOQPEGZSA-N 1 0 484.689 3.540 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 ZINC001313928058 1071582476 /nfs/dbraw/zinc/58/24/76/1071582476.db2.gz NFIIVDRNXAYESI-UNMCSNQZSA-N 1 0 456.654 3.906 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC001313928055 1071582613 /nfs/dbraw/zinc/58/26/13/1071582613.db2.gz NFIIVDRNXAYESI-IFMALSPDSA-N 1 0 456.654 3.906 20 0 JHADRO CNC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001315061049 1071583457 /nfs/dbraw/zinc/58/34/57/1071583457.db2.gz IQGOYOAXULARDI-HSZRJFAPSA-N 1 0 499.729 3.851 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001313929324 1071586614 /nfs/dbraw/zinc/58/66/14/1071586614.db2.gz YYTKTVDVYMMPCZ-ZLNRFVROSA-N 1 0 486.730 3.830 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313928895 1071585267 /nfs/dbraw/zinc/58/52/67/1071585267.db2.gz QEUKBOFUSAJWEP-KCZVDYSFSA-N 1 0 478.607 3.838 20 0 JHADRO CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)N1CC[NH+](CC)CC1)C1CCCC1 ZINC001313929074 1071585874 /nfs/dbraw/zinc/58/58/74/1071585874.db2.gz XHKXNWRBBUYOMJ-HXUWFJFHSA-N 1 0 458.626 3.791 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001315074714 1071587051 /nfs/dbraw/zinc/58/70/51/1071587051.db2.gz SHXGYUMICGBREE-HKUYNNGSSA-N 1 0 461.010 3.503 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001315076375 1071587981 /nfs/dbraw/zinc/58/79/81/1071587981.db2.gz GMAAPCNWKVRHOZ-NRFANRHFSA-N 1 0 483.657 3.743 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC=C(Br)C2)CC1 ZINC001313930174 1071588771 /nfs/dbraw/zinc/58/87/71/1071588771.db2.gz VJSGIAJDJFFFAT-SFHVURJKSA-N 1 0 491.453 3.523 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(CC(C)C)n2CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001315078331 1071588924 /nfs/dbraw/zinc/58/89/24/1071588924.db2.gz NFWBZIBWTMGSDB-FQEVSTJZSA-N 1 0 459.660 3.840 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(CSC)c2)C[C@H]1C ZINC001313930886 1071590093 /nfs/dbraw/zinc/59/00/93/1071590093.db2.gz CZUWPWRBOXDNEG-NLFFAJNJSA-N 1 0 473.687 3.760 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313931446 1071590178 /nfs/dbraw/zinc/59/01/78/1071590178.db2.gz DSFMCLSSOQRNKV-SFHVURJKSA-N 1 0 475.563 3.826 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCCCC[NH+]2CCCC2)C1 ZINC001315080530 1071590248 /nfs/dbraw/zinc/59/02/48/1071590248.db2.gz VMEXTWARKWPOSG-OAQYLSRUSA-N 1 0 455.603 3.609 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001315080624 1071590347 /nfs/dbraw/zinc/59/03/47/1071590347.db2.gz WRXIDOFVMGIWGX-MRXNPFEDSA-N 1 0 493.450 3.690 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCc2cn[nH]c2)C[C@H]1C ZINC001313931020 1071590678 /nfs/dbraw/zinc/59/06/78/1071590678.db2.gz FFFRNQUUJFFDNU-MRXNPFEDSA-N 1 0 458.408 3.512 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC2CCCC2)C[C@H]1C ZINC001313931724 1071593169 /nfs/dbraw/zinc/59/31/69/1071593169.db2.gz HHGCBPBIVCQIRB-HXUWFJFHSA-N 1 0 488.702 3.696 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313931707 1071593352 /nfs/dbraw/zinc/59/33/52/1071593352.db2.gz SKZIWDOBHMKDRL-RBBKRZOGSA-N 1 0 482.673 3.824 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001313931853 1071593584 /nfs/dbraw/zinc/59/35/84/1071593584.db2.gz ZYVGKGDOEMKZKI-IBGZPJMESA-N 1 0 486.039 3.719 20 0 JHADRO COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001315090194 1071593610 /nfs/dbraw/zinc/59/36/10/1071593610.db2.gz FSHPHMUWICIQEL-SPLOXXLWSA-N 1 0 484.453 3.689 20 0 JHADRO CCn1cnnc1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313933396 1071597744 /nfs/dbraw/zinc/59/77/44/1071597744.db2.gz OIRCKKXDOIIYJD-AWEZNQCLSA-N 1 0 493.841 3.551 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(N4CCC[C@@H](OC(C)(C)C)C4)nnc3C(C)(C)C)cn2)CC1 ZINC001313932465 1071594711 /nfs/dbraw/zinc/59/47/11/1071594711.db2.gz GPHPHWPZRZJVNC-JOCHJYFZSA-N 1 0 483.705 3.945 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCCc2ccccc2)CC1 ZINC001313933494 1071597867 /nfs/dbraw/zinc/59/78/67/1071597867.db2.gz ZBSYSMCRBFUNKN-QHCPKHFHSA-N 1 0 461.658 3.744 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(F)c(F)c2F)C[C@H]1C ZINC001313932552 1071595447 /nfs/dbraw/zinc/59/54/47/1071595447.db2.gz IHTBSALGUJSVKW-MZNJEOGPSA-N 1 0 481.563 3.509 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H]2COCCO2)C[C@@H]1C ZINC001313932765 1071596436 /nfs/dbraw/zinc/59/64/36/1071596436.db2.gz XGQMLGMGLKURNQ-QKNQBKEWSA-N 1 0 478.037 3.634 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(C)CCCS2)C[C@@H]1C ZINC001313933618 1071598471 /nfs/dbraw/zinc/59/84/71/1071598471.db2.gz LTCOVEDPAHSZIR-YWZLYKJASA-N 1 0 467.481 3.862 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(F)(F)Br)C[C@H]1C ZINC001313933906 1071599547 /nfs/dbraw/zinc/59/95/47/1071599547.db2.gz ONEQYEROPGVOTN-SNVBAGLBSA-N 1 0 482.171 3.554 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCC(F)(F)CC2)C[C@@H]1C ZINC001313934767 1071603614 /nfs/dbraw/zinc/60/36/14/1071603614.db2.gz VOXRKMXFFKFPGF-KRWDZBQOSA-N 1 0 481.613 3.705 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@](C)(O)c2ccco2)C[C@@H]1C ZINC001313933935 1071600331 /nfs/dbraw/zinc/60/03/31/1071600331.db2.gz PEIXKEZQBWQDPM-OYHNWAKOSA-N 1 0 492.393 3.878 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(OC)cc2)C[C@@H]1C ZINC001313935071 1071604174 /nfs/dbraw/zinc/60/41/74/1071604174.db2.gz WCVGDHODVJVWCE-INIZCTEOSA-N 1 0 473.419 3.817 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313936823 1071609538 /nfs/dbraw/zinc/60/95/38/1071609538.db2.gz IJQTZQOMSGROHU-DENIHFKCSA-N 1 0 457.619 3.700 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C(F)(F)F)C[C@H]1C ZINC001313935536 1071605427 /nfs/dbraw/zinc/60/54/27/1071605427.db2.gz HDDQWQQMLLGNFA-OAHLLOKOSA-N 1 0 453.509 3.835 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CC)C[C@H]1C ZINC001313937030 1071609571 /nfs/dbraw/zinc/60/95/71/1071609571.db2.gz JZOUYGQMQWJWFO-MOPGFXCFSA-N 1 0 464.655 3.553 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCO[C@@H]2C(C)C)C[C@H]1C ZINC001313935185 1071605445 /nfs/dbraw/zinc/60/54/45/1071605445.db2.gz FJXRTIJMJXVDGN-JXALWOEJSA-N 1 0 471.646 3.944 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](C)COC)C[C@H]1C ZINC001313935411 1071605470 /nfs/dbraw/zinc/60/54/70/1071605470.db2.gz ZDVBOIQCOWKLHJ-HZPDHXFCSA-N 1 0 466.424 3.529 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001313935591 1071606744 /nfs/dbraw/zinc/60/67/44/1071606744.db2.gz ITNLIDJZPOYGRN-KRWDZBQOSA-N 1 0 455.404 3.990 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ncnn2C(C)(C)C)C[C@H]1C ZINC001313937137 1071610196 /nfs/dbraw/zinc/61/01/96/1071610196.db2.gz TYXGIGWZYDEOHS-MRXNPFEDSA-N 1 0 487.450 3.633 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[C@H](OC)C(F)(F)F)C[C@H]1C ZINC001313937301 1071610854 /nfs/dbraw/zinc/61/08/54/1071610854.db2.gz DVSPPJCZMLHWTL-UZLBHIALSA-N 1 0 464.536 3.935 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H](C)OC)C[C@@H]1C ZINC001313940599 1071615550 /nfs/dbraw/zinc/61/55/50/1071615550.db2.gz OPRSIMKYWRRCHQ-OALUTQOASA-N 1 0 450.027 3.817 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cc(C(F)(F)F)ccn2)C[C@@H]1C ZINC001313940126 1071614021 /nfs/dbraw/zinc/61/40/21/1071614021.db2.gz GLTSJSOQWSQRAQ-KRWDZBQOSA-N 1 0 459.520 3.835 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C ZINC001313939779 1071614090 /nfs/dbraw/zinc/61/40/90/1071614090.db2.gz GPCUJVPHQNNZAH-LJQANCHMSA-N 1 0 460.667 3.941 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(OC)CCOC2)C[C@H]1C ZINC001313940015 1071614162 /nfs/dbraw/zinc/61/41/62/1071614162.db2.gz JQAWUGFAJZFDKG-NLFFAJNJSA-N 1 0 492.064 3.587 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313940351 1071614841 /nfs/dbraw/zinc/61/48/41/1071614841.db2.gz WDLMGMYURSCRHG-RTBURBONSA-N 1 0 450.553 3.668 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC001313940343 1071614989 /nfs/dbraw/zinc/61/49/89/1071614989.db2.gz WCZGRACUBPUNFH-UXHICEINSA-N 1 0 469.634 3.518 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313940982 1071616326 /nfs/dbraw/zinc/61/63/26/1071616326.db2.gz RETBGJMOTCOPIP-HKBOAZHASA-N 1 0 455.647 3.806 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(F)cccc2SC)C[C@H]1C ZINC001313941420 1071617069 /nfs/dbraw/zinc/61/70/69/1071617069.db2.gz CRBQPTVHQQJYSR-GOSISDBHSA-N 1 0 457.623 3.579 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cscc2C)C[C@H]1C ZINC001313942477 1071620345 /nfs/dbraw/zinc/62/03/45/1071620345.db2.gz IAXMEVIEXDVRQB-GGPKGHCWSA-N 1 0 474.675 3.997 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001313942577 1071620806 /nfs/dbraw/zinc/62/08/06/1071620806.db2.gz KDPGHUBCFULOOW-UYAOXDASSA-N 1 0 469.552 3.972 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2SC)C[C@@H]1C ZINC001313943102 1071621925 /nfs/dbraw/zinc/62/19/25/1071621925.db2.gz PRVJLUGKGUPJEP-INIZCTEOSA-N 1 0 488.658 3.709 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccccc4C)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001313945687 1071626685 /nfs/dbraw/zinc/62/66/85/1071626685.db2.gz TWHHXBRJSOMZJR-GGAORHGYSA-N 1 0 454.663 3.531 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCCn2ccnc2C)C[C@H]1C ZINC001313943461 1071622724 /nfs/dbraw/zinc/62/27/24/1071622724.db2.gz RYNDPMHUHANYJC-JOCHJYFZSA-N 1 0 465.646 3.990 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)c2cccs2)C[C@H]1C ZINC001313943498 1071623154 /nfs/dbraw/zinc/62/31/54/1071623154.db2.gz SEWQRCVJRPIKGL-NTKDMRAZSA-N 1 0 455.628 3.665 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)c2cccs2)C[C@@H]1C ZINC001313943493 1071623186 /nfs/dbraw/zinc/62/31/86/1071623186.db2.gz SEWQRCVJRPIKGL-CYFREDJKSA-N 1 0 455.628 3.665 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccccc2C(C)C)C[C@@H]1C ZINC001313943783 1071623831 /nfs/dbraw/zinc/62/38/31/1071623831.db2.gz VYBNYUAJBUWCTH-QFIPXVFZSA-N 1 0 465.646 3.873 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC)cc3C(F)(F)F)C2)CC1 ZINC001313944203 1071624410 /nfs/dbraw/zinc/62/44/10/1071624410.db2.gz YRZTXWMEGYNSHU-LJQANCHMSA-N 1 0 494.606 3.868 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)C)n3C[C@H](OC(C)C)c3ccccc3OC)C2)CC1 ZINC001313944250 1071624514 /nfs/dbraw/zinc/62/45/14/1071624514.db2.gz ZBJCAMXXXJHNCO-DHLKQENFSA-N 1 0 484.689 3.793 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC(O)(CC)CC)C2)CC1 ZINC001313944794 1071624977 /nfs/dbraw/zinc/62/49/77/1071624977.db2.gz GNCTZIHCCPHOCM-DNQXCXABSA-N 1 0 498.716 3.802 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)COc2ccccc2OC)C[C@H]1C ZINC001313945113 1071625560 /nfs/dbraw/zinc/62/55/60/1071625560.db2.gz YINGCMYFBROZJU-PZJWPPBQSA-N 1 0 464.614 3.903 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2CCOc2ncccc2Cl)C[C@H]1C ZINC001313946117 1071628064 /nfs/dbraw/zinc/62/80/64/1071628064.db2.gz NOSPKOZSBYAXFY-LJQANCHMSA-N 1 0 455.006 3.835 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC001313946813 1071629802 /nfs/dbraw/zinc/62/98/02/1071629802.db2.gz CGRVEAXPUVLXKU-HMXCVIKNSA-N 1 0 490.693 3.594 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(C)CCOCC2)C[C@@H]1C ZINC001313946840 1071630459 /nfs/dbraw/zinc/63/04/59/1071630459.db2.gz CZOCOXPVSKZSMP-IBGZPJMESA-N 1 0 459.660 3.926 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2csc([C@@H](C)OC)n2)C[C@H]1C ZINC001313947423 1071631774 /nfs/dbraw/zinc/63/17/74/1071631774.db2.gz HCIFTFBFNFHNOW-QZTJIDSGSA-N 1 0 486.642 3.608 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C ZINC001313947735 1071632859 /nfs/dbraw/zinc/63/28/59/1071632859.db2.gz YHWARVZLRFXJRI-LJQANCHMSA-N 1 0 486.636 3.938 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCOc3ccc(F)c(Cl)c3)C2)CC1 ZINC001313948537 1071634146 /nfs/dbraw/zinc/63/41/46/1071634146.db2.gz RCHGKCWTLOIBKK-LJQANCHMSA-N 1 0 493.071 3.954 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCCc3cc(OC)ccc3OC)C2)CC1 ZINC001313949169 1071635923 /nfs/dbraw/zinc/63/59/23/1071635923.db2.gz VOSQZIGJBNTXKS-QHCPKHFHSA-N 1 0 498.716 3.733 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@H]1C ZINC001313949420 1071636369 /nfs/dbraw/zinc/63/63/69/1071636369.db2.gz QCFFYULMLZTZDZ-HJMATGOFSA-N 1 0 473.662 3.845 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4ccc(Cl)cc4)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001313949669 1071636987 /nfs/dbraw/zinc/63/69/87/1071636987.db2.gz NRKCOVFGENWZNC-DHIUTWEWSA-N 1 0 489.108 3.800 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCCCCC2)C[C@@H]1C ZINC001313950441 1071638814 /nfs/dbraw/zinc/63/88/14/1071638814.db2.gz VXGSSGJUTKRRSG-SFTDATJTSA-N 1 0 490.693 3.966 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313951261 1071641165 /nfs/dbraw/zinc/64/11/65/1071641165.db2.gz SIDHQLVQPGYLBL-XUZZJYLKSA-N 1 0 486.730 3.949 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001313951664 1071643053 /nfs/dbraw/zinc/64/30/53/1071643053.db2.gz ATYMSHGLTRXPFH-YADHBBJMSA-N 1 0 458.695 3.628 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC=C(C)CC2)CC1 ZINC001313952951 1071647227 /nfs/dbraw/zinc/64/72/27/1071647227.db2.gz VIHUBOVCXFTNSR-DNVJHFABSA-N 1 0 458.695 3.627 20 0 JHADRO CCN1CC[NH+](CCCCn2c(C)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001313953298 1071648384 /nfs/dbraw/zinc/64/83/84/1071648384.db2.gz XHGROFRRWVUZFF-UHFFFAOYSA-N 1 0 456.532 3.799 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccccc2SC)CC1 ZINC001313953310 1071648428 /nfs/dbraw/zinc/64/84/28/1071648428.db2.gz XLDGHYRATVPWHN-IFMALSPDSA-N 1 0 472.703 3.762 20 0 JHADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001313953255 1071648469 /nfs/dbraw/zinc/64/84/69/1071648469.db2.gz WQGQHNAPWJIVLJ-UHFFFAOYSA-N 1 0 466.674 3.919 20 0 JHADRO CCN1CC[NH+](CCCCn2c(N3CCO[C@@H](c4ccccc4C)C3)nnc2C(C)(C)C)CC1 ZINC001313953493 1071648973 /nfs/dbraw/zinc/64/89/73/1071648973.db2.gz GWTBBRCYPIMGBK-XMMPIXPASA-N 1 0 468.690 3.880 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@H]3CCCCO3)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001313953693 1071649469 /nfs/dbraw/zinc/64/94/69/1071649469.db2.gz HXWRWFULGIRHLL-OAQYLSRUSA-N 1 0 495.510 3.816 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccccc2)CC1 ZINC001313954255 1071651230 /nfs/dbraw/zinc/65/12/30/1071651230.db2.gz MNLJKNQGIPLDDE-FIXSFTCYSA-N 1 0 454.663 3.991 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313954482 1071651812 /nfs/dbraw/zinc/65/18/12/1071651812.db2.gz OSYMRYVGDSXFLW-HXUWFJFHSA-N 1 0 478.110 3.743 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313954700 1071652554 /nfs/dbraw/zinc/65/25/54/1071652554.db2.gz CAORXEDJVSZDSA-AMGIVPHBSA-N 1 0 468.690 3.778 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCC3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC001313954836 1071652835 /nfs/dbraw/zinc/65/28/35/1071652835.db2.gz QCXJQXBCQKDUGF-XZXRPQQYSA-N 1 0 486.730 3.754 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313954830 1071652912 /nfs/dbraw/zinc/65/29/12/1071652912.db2.gz QCULZOITKOAOTC-RLWLMLJZSA-N 1 0 460.711 3.851 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313955335 1071655481 /nfs/dbraw/zinc/65/54/81/1071655481.db2.gz RPLSROAAEVRBDR-PMACEKPBSA-N 1 0 455.676 3.816 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CC[C@H](C)[C@@H]2C)CC1 ZINC001313956470 1071658175 /nfs/dbraw/zinc/65/81/75/1071658175.db2.gz MQUUZMQMLGMPAZ-VABKMULXSA-N 1 0 454.663 3.674 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccccc2Cl)CC1 ZINC001313956871 1071658733 /nfs/dbraw/zinc/65/87/33/1071658733.db2.gz OEJYBEHNGXEQHL-OAQYLSRUSA-N 1 0 482.076 3.827 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313956838 1071658840 /nfs/dbraw/zinc/65/88/40/1071658840.db2.gz NVWKEFYSZXELDS-OAQYLSRUSA-N 1 0 486.680 3.675 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCO[C@H](CCc3ccccc3)C2)CC1 ZINC001313957529 1071660663 /nfs/dbraw/zinc/66/06/63/1071660663.db2.gz VYELVMCVMIQWFZ-RUZDIDTESA-N 1 0 482.717 3.732 20 0 JHADRO CC[NH+]1CCN(CCCn2c(N3CC[C@H](c4ccc(OC)cc4)C3)nnc2C(C)(C)C)CC1 ZINC001313958461 1071663984 /nfs/dbraw/zinc/66/39/84/1071663984.db2.gz CGADYOMKZHOQIF-QFIPXVFZSA-N 1 0 454.663 3.606 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@H](C)C2)CC1 ZINC001313958564 1071664023 /nfs/dbraw/zinc/66/40/23/1071664023.db2.gz VACGBKBDMDJFML-SFHVURJKSA-N 1 0 461.452 3.581 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccn3C)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001313958547 1071664161 /nfs/dbraw/zinc/66/41/61/1071664161.db2.gz UNUGUALAWHZZCS-UHFFFAOYSA-N 1 0 489.590 3.966 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC001313958792 1071664558 /nfs/dbraw/zinc/66/45/58/1071664558.db2.gz YBGKMBYLEKULAL-OAQYLSRUSA-N 1 0 497.732 3.832 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(Cl)c3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001313960636 1071670351 /nfs/dbraw/zinc/67/03/51/1071670351.db2.gz MCWUPMBQPYACJJ-IBGZPJMESA-N 1 0 461.054 3.630 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@@H](C)[C@H]2C)CC1 ZINC001313960789 1071670947 /nfs/dbraw/zinc/67/09/47/1071670947.db2.gz MPWLMDKGRNCHST-DHIUTWEWSA-N 1 0 454.663 3.736 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@H](C)[C@@H]2C)CC1 ZINC001313960790 1071671051 /nfs/dbraw/zinc/67/10/51/1071671051.db2.gz MPWLMDKGRNCHST-GOTSBHOMSA-N 1 0 454.663 3.736 20 0 JHADRO CCn1nc(-c2nnc(N(C)CCCSC)n2C[C@H](C)[NH+]2CCC(C)CC2)c2ccccc2c1=O ZINC001313960879 1071671789 /nfs/dbraw/zinc/67/17/89/1071671789.db2.gz PKEVUAVJGMHRCP-FQEVSTJZSA-N 1 0 497.713 3.985 20 0 JHADRO CCn1nc(-c2nnc(N(C)Cc3cccs3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313961746 1071673383 /nfs/dbraw/zinc/67/33/83/1071673383.db2.gz ZBASNOAWTPVODN-UHFFFAOYSA-N 1 0 465.627 3.713 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(OC)cc3)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313961692 1071673508 /nfs/dbraw/zinc/67/35/08/1071673508.db2.gz XDUAHSPMDNOREX-UHFFFAOYSA-N 1 0 470.662 3.520 20 0 JHADRO CCn1nc(-c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2CCCC(C)(C)C)c2ccccc2c1=O ZINC001313966105 1071685300 /nfs/dbraw/zinc/68/53/00/1071685300.db2.gz HNHFICXRMKPJBC-HXUWFJFHSA-N 1 0 495.672 3.658 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001313968307 1071692146 /nfs/dbraw/zinc/69/21/46/1071692146.db2.gz UHKPLBYSWLFYOC-JOCHJYFZSA-N 1 0 477.657 3.547 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001313973335 1071700218 /nfs/dbraw/zinc/70/02/18/1071700218.db2.gz DFUKPGZKGVFOHY-UHFFFAOYSA-N 1 0 458.676 3.547 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001313973546 1071701017 /nfs/dbraw/zinc/70/10/17/1071701017.db2.gz ZNZCUYQJYNKACU-UHFFFAOYSA-N 1 0 482.673 3.783 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(COCC)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC001313984638 1071722321 /nfs/dbraw/zinc/72/23/21/1071722321.db2.gz CPLDNVDIGJLKSP-UHFFFAOYSA-N 1 0 482.673 3.705 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC001313984930 1071722633 /nfs/dbraw/zinc/72/26/33/1071722633.db2.gz INVSNOLCCXGDNI-OALUTQOASA-N 1 0 466.655 3.647 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313999929 1071736933 /nfs/dbraw/zinc/73/69/33/1071736933.db2.gz QMDYZSVVZZMGKN-QHCPKHFHSA-N 1 0 481.689 3.683 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001314005319 1071741521 /nfs/dbraw/zinc/74/15/21/1071741521.db2.gz XWTCIZOSCOSJJQ-JOCHJYFZSA-N 1 0 499.729 3.851 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314012848 1071748767 /nfs/dbraw/zinc/74/87/67/1071748767.db2.gz AQFSOQAXLQMNPN-LJQANCHMSA-N 1 0 472.609 3.873 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001314013433 1071750549 /nfs/dbraw/zinc/75/05/49/1071750549.db2.gz UGGZOYYOPVRPIU-QFIPXVFZSA-N 1 0 476.666 3.699 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001314013429 1071750626 /nfs/dbraw/zinc/75/06/26/1071750626.db2.gz UGGZOYYOPVRPIU-JOCHJYFZSA-N 1 0 476.666 3.699 20 0 JHADRO CCOC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001314017539 1071763200 /nfs/dbraw/zinc/76/32/00/1071763200.db2.gz RJBWDCFLZUKVIR-LAUBAEHRSA-N 1 0 491.036 3.690 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(COc3ccccc3CC)n2CC[NH+]2CCCC2)CC1 ZINC001314016188 1071759201 /nfs/dbraw/zinc/75/92/01/1071759201.db2.gz MCCFLQOYWVZGFI-UHFFFAOYSA-N 1 0 484.645 3.572 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)[C@H](C)CC)CC1 ZINC001314016451 1071760148 /nfs/dbraw/zinc/76/01/48/1071760148.db2.gz JJNODYIAFCXCJB-QGZVFWFLSA-N 1 0 493.450 3.716 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001314019595 1071768813 /nfs/dbraw/zinc/76/88/13/1071768813.db2.gz YHMXXLUTRWPDML-NRFANRHFSA-N 1 0 483.661 3.586 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001314019596 1071768892 /nfs/dbraw/zinc/76/88/92/1071768892.db2.gz YHMXXLUTRWPDML-OAQYLSRUSA-N 1 0 483.661 3.586 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001314023840 1071780296 /nfs/dbraw/zinc/78/02/96/1071780296.db2.gz WJIOTATZFMKQDA-DVECYGJZSA-N 1 0 474.675 3.719 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001314025820 1071787010 /nfs/dbraw/zinc/78/70/10/1071787010.db2.gz DTZFGDOJVBEVEK-OAQYLSRUSA-N 1 0 483.661 3.956 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccccc2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001314026260 1071788294 /nfs/dbraw/zinc/78/82/94/1071788294.db2.gz LTJHUBURHVVNOY-SFTDATJTSA-N 1 0 456.635 3.945 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccccc2F)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001314026588 1071789401 /nfs/dbraw/zinc/78/94/01/1071789401.db2.gz RUTGHFHHSAOURK-RTBURBONSA-N 1 0 460.598 3.775 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001314027383 1071792328 /nfs/dbraw/zinc/79/23/28/1071792328.db2.gz FYFSMTOTEIUZOQ-NRFANRHFSA-N 1 0 472.634 3.645 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001314030993 1071804228 /nfs/dbraw/zinc/80/42/28/1071804228.db2.gz HAKNVIJVWKUHQG-GGAORHGYSA-N 1 0 477.613 3.666 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C1 ZINC001314035428 1071822895 /nfs/dbraw/zinc/82/28/95/1071822895.db2.gz KLYXWDIZXARQHQ-RTBURBONSA-N 1 0 488.608 3.756 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[NH+](CC)CC)C1 ZINC001314037779 1071831826 /nfs/dbraw/zinc/83/18/26/1071831826.db2.gz NIDMNNVJQDACNV-MSOLQXFVSA-N 1 0 478.588 3.592 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[NH+](CC)CC)C1 ZINC001314041745 1071845861 /nfs/dbraw/zinc/84/58/61/1071845861.db2.gz GERDAQUDDXXTLL-PLACYPQZSA-N 1 0 478.682 3.642 20 0 JHADRO CCOC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001314043966 1071855342 /nfs/dbraw/zinc/85/53/42/1071855342.db2.gz HNQRBXQRTIDCFN-UNMCSNQZSA-N 1 0 488.652 3.589 20 0 JHADRO CCOC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001314042801 1071850085 /nfs/dbraw/zinc/85/00/85/1071850085.db2.gz FNXOWVBUSTUIOM-CVEARBPZSA-N 1 0 467.456 3.780 20 0 JHADRO CCOC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001314042804 1071850165 /nfs/dbraw/zinc/85/01/65/1071850165.db2.gz FNXOWVBUSTUIOM-JKSUJKDBSA-N 1 0 467.456 3.780 20 0 JHADRO CCOC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001314043964 1071854709 /nfs/dbraw/zinc/85/47/09/1071854709.db2.gz HNQRBXQRTIDCFN-RBBKRZOGSA-N 1 0 488.652 3.589 20 0 JHADRO CCO[C@H](CCn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)C(C)C ZINC001314060693 1071896225 /nfs/dbraw/zinc/89/62/25/1071896225.db2.gz QNSGUVAXVVBCQW-NQHRYMMQSA-N 1 0 488.721 3.766 20 0 JHADRO CCO[C@H](CCn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)C(C)C ZINC001314060684 1071896454 /nfs/dbraw/zinc/89/64/54/1071896454.db2.gz QNSGUVAXVVBCQW-FTBPSBKWSA-N 1 0 488.721 3.766 20 0 JHADRO CCO[C@H](C)c1noc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001314061063 1071897487 /nfs/dbraw/zinc/89/74/87/1071897487.db2.gz CVLUTPHFWLTXQB-WTGUMLROSA-N 1 0 475.638 3.757 20 0 JHADRO CCO[C@H](C)c1noc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001314061054 1071897649 /nfs/dbraw/zinc/89/76/49/1071897649.db2.gz CVLUTPHFWLTXQB-HAGHYFMRSA-N 1 0 475.638 3.757 20 0 JHADRO CCO[C@@H](C)c1noc(CN(C)c2nnc(CC(C)(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001314063637 1071905356 /nfs/dbraw/zinc/90/53/56/1071905356.db2.gz QIIRPERNZSWMCM-OTWHNJEPSA-N 1 0 491.681 3.871 20 0 JHADRO CCO[C@@H](C)c1noc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CC[N@H+](CC)C2)n1 ZINC001314062327 1071900744 /nfs/dbraw/zinc/90/07/44/1071900744.db2.gz YRFCWHQZWYUYES-QEUVDIPISA-N 1 0 489.665 3.655 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001314074707 1071930368 /nfs/dbraw/zinc/93/03/68/1071930368.db2.gz 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459.610 3.623 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCOC1 ZINC001314125329 1072032585 /nfs/dbraw/zinc/03/25/85/1072032585.db2.gz VQYMVAUUHUBTQJ-RJADORODSA-N 1 0 469.621 3.922 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ccc(C)cc2SC)CCOC1 ZINC001314136199 1072048354 /nfs/dbraw/zinc/04/83/54/1072048354.db2.gz QBFPJXMZAQKKAM-VWLOTQADSA-N 1 0 473.687 3.929 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2CCSC(F)(F)F)CCOC1 ZINC001314138203 1072049501 /nfs/dbraw/zinc/04/95/01/1072049501.db2.gz WZQOUCQBYDVRLK-GCJKJVERSA-N 1 0 499.603 3.894 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2CCSCc2ccc(C)cc2)CCOC1 ZINC001314138403 1072050458 /nfs/dbraw/zinc/05/04/58/1072050458.db2.gz RIZUTXOOLDXCAH-RUZDIDTESA-N 1 0 473.687 3.702 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](C)Sc2ccccc2)CCOC1 ZINC001314138718 1072050674 /nfs/dbraw/zinc/05/06/74/1072050674.db2.gz YJITUBLTTOQYQR-OFVILXPXSA-N 1 0 473.687 3.889 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](C)Sc2ccccc2)CCOC1 ZINC001314138720 1072051117 /nfs/dbraw/zinc/05/11/17/1072051117.db2.gz YJITUBLTTOQYQR-SQJMNOBHSA-N 1 0 473.687 3.889 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2CC2CCC(C(F)(F)F)CC2)CCOC1 ZINC001314138958 1072051595 /nfs/dbraw/zinc/05/15/95/1072051595.db2.gz VLKMKPLIOUEOFE-AJTFCVKESA-N 1 0 473.584 3.829 20 0 JHADRO CCO[C@]1(c2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)CCOC1 ZINC001314139423 1072052600 /nfs/dbraw/zinc/05/26/00/1072052600.db2.gz AAWLFABHAZMWJJ-WRALFONMSA-N 1 0 473.687 3.811 20 0 JHADRO CCO[C@]1(c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CCOC1 ZINC001314139611 1072052978 /nfs/dbraw/zinc/05/29/78/1072052978.db2.gz IRALFWAFWUIOBX-OUIFVKKZSA-N 1 0 477.694 3.692 20 0 JHADRO CCO[C@]1(c2nnc(N3CCN(c4cccc(C)c4C)CC3)n2CC[N@H+](CC)C(C)C)CCOC1 ZINC001314140089 1072053494 /nfs/dbraw/zinc/05/34/94/1072053494.db2.gz YWQWEAXTWHIIAH-HHHXNRCGSA-N 1 0 484.689 3.604 20 0 JHADRO 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C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)cc1 ZINC001310625983 1069067461 /nfs/dbraw/zinc/06/74/61/1069067461.db2.gz CCMXMUPCROPILE-UHFFFAOYSA-N 1 0 450.942 3.578 20 0 JHADRO CC(C)C[C@H](NC(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)C(=O)NCC[NH+](C)C ZINC001310629423 1069070685 /nfs/dbraw/zinc/07/06/85/1069070685.db2.gz BCZBRQSWXVXLTB-QUCCMNQESA-N 1 0 457.644 3.630 20 0 JHADRO CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001310631011 1069071524 /nfs/dbraw/zinc/07/15/24/1069071524.db2.gz DSBOJWGCQCFEIZ-NRFANRHFSA-N 1 0 458.628 3.812 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CC=CCC2)C1 ZINC001306505527 1069082685 /nfs/dbraw/zinc/08/26/85/1069082685.db2.gz OTXWICZURPDZTJ-QHCPKHFHSA-N 1 0 480.657 3.621 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001306505775 1069083429 /nfs/dbraw/zinc/08/34/29/1069083429.db2.gz IHGZUQLPCSOOQE-RPWUZVMVSA-N 1 0 466.674 3.937 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306506297 1069085570 /nfs/dbraw/zinc/08/55/70/1069085570.db2.gz IWWLSFRPWCDJOQ-JTHBVZDNSA-N 1 0 481.689 3.660 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001306508550 1069096077 /nfs/dbraw/zinc/09/60/77/1069096077.db2.gz HCRVNXJUPQTDBH-IBGZPJMESA-N 1 0 488.080 3.999 20 0 JHADRO CCc1c(NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cnn1-c1ccccc1Cl ZINC001310678090 1069105249 /nfs/dbraw/zinc/10/52/49/1069105249.db2.gz CCBCUDSGMQWWTR-IBGZPJMESA-N 1 0 453.974 3.976 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001306512309 1069107864 /nfs/dbraw/zinc/10/78/64/1069107864.db2.gz JKENCKKHMNAUMU-QFIPXVFZSA-N 1 0 472.703 3.936 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001306515284 1069117460 /nfs/dbraw/zinc/11/74/60/1069117460.db2.gz DOZQFAOSLXTFLA-SIKLNZKXSA-N 1 0 483.686 3.781 20 0 JHADRO CNC(=O)c1cccc(NC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)c1Br ZINC001310704345 1069121630 /nfs/dbraw/zinc/12/16/30/1069121630.db2.gz XXWHBWSSWNRYLX-HXOBKFHXSA-N 1 0 471.399 3.795 20 0 JHADRO CNC(=O)c1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1Br ZINC001310704849 1069122295 /nfs/dbraw/zinc/12/22/95/1069122295.db2.gz GYNJANTWLUUDLJ-INIZCTEOSA-N 1 0 459.388 3.937 20 0 JHADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)Nc1cccc2cc(Br)cnc21 ZINC001310714133 1069129165 /nfs/dbraw/zinc/12/91/65/1069129165.db2.gz SPDMCNBDGANVAT-IBGZPJMESA-N 1 0 455.356 3.886 20 0 JHADRO CS[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)C[C@H]1[NH+](C)C ZINC001310723695 1069134541 /nfs/dbraw/zinc/13/45/41/1069134541.db2.gz DYNIRWDVJLCGSO-QZTJIDSGSA-N 1 0 452.596 3.628 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001306520399 1069140003 /nfs/dbraw/zinc/14/00/03/1069140003.db2.gz YZLIJQHTJMFZQN-FKBYEOEOSA-N 1 0 490.737 3.887 20 0 JHADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1cc(N2CCOCC2)ccc1Br ZINC001310743866 1069146237 /nfs/dbraw/zinc/14/62/37/1069146237.db2.gz PFGQOOIJBXNLEU-KRWDZBQOSA-N 1 0 451.409 3.529 20 0 JHADRO COc1ccc(NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c(S(C)(=O)=O)c1 ZINC001310751447 1069150578 /nfs/dbraw/zinc/15/05/78/1069150578.db2.gz ORQNDVWLDIMVIS-UHFFFAOYSA-N 1 0 457.596 3.718 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001306529703 1069165839 /nfs/dbraw/zinc/16/58/39/1069165839.db2.gz KOEIDSCALDDIHW-AREMUKBSSA-N 1 0 471.646 3.968 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001306529723 1069167049 /nfs/dbraw/zinc/16/70/49/1069167049.db2.gz OSXHJFJHKINDHF-MBSDFSHPSA-N 1 0 466.001 3.590 20 0 JHADRO CC[C@@H]1NC(=O)N(c2cccc(NC(=O)NCC3CC[NH+](Cc4cccs4)CC3)c2)C1=O ZINC001310807295 1069171823 /nfs/dbraw/zinc/17/18/23/1069171823.db2.gz XMNXXNHVKHSTGS-FQEVSTJZSA-N 1 0 455.584 3.617 20 0 JHADRO O=C(Nc1cc(C(F)(F)F)cc(Br)n1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001310841000 1069188172 /nfs/dbraw/zinc/18/81/72/1069188172.db2.gz RQCGADHSBQBPGP-CYBMUJFWSA-N 1 0 451.287 3.582 20 0 JHADRO Cc1cccn(Cc2c(F)cccc2NC(=O)N(CCc2ccccc2)CC[NH+](C)C)c1=O ZINC001310846369 1069191863 /nfs/dbraw/zinc/19/18/63/1069191863.db2.gz AWMPHABUUHKCPU-UHFFFAOYSA-N 1 0 450.558 3.982 20 0 JHADRO CCC[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H]1CC ZINC001306545574 1069200735 /nfs/dbraw/zinc/20/07/35/1069200735.db2.gz CPZWHMZLSPRHBR-ATIYNZHBSA-N 1 0 454.663 3.573 20 0 JHADRO CCC[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H]1CC ZINC001306545580 1069200949 /nfs/dbraw/zinc/20/09/49/1069200949.db2.gz CPZWHMZLSPRHBR-NVQXNPDNSA-N 1 0 454.663 3.573 20 0 JHADRO CCC[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H]1CC ZINC001306545578 1069201015 /nfs/dbraw/zinc/20/10/15/1069201015.db2.gz CPZWHMZLSPRHBR-GJZUVCINSA-N 1 0 454.663 3.573 20 0 JHADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)C[C@@H]1C ZINC001310874224 1069202195 /nfs/dbraw/zinc/20/21/95/1069202195.db2.gz FCTFKEDMCNTTQP-LSDHHAIUSA-N 1 0 457.388 3.761 20 0 JHADRO CC(C)(C)OC(=O)NCC[C@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)C(F)(F)F ZINC001310883076 1069208533 /nfs/dbraw/zinc/20/85/33/1069208533.db2.gz AKJBOIZARRGMPS-SFHVURJKSA-N 1 0 458.525 3.580 20 0 JHADRO CCC[C@@H](C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001306551111 1069214758 /nfs/dbraw/zinc/21/47/58/1069214758.db2.gz LCOVLAGLNRXVAZ-OFNKIYASSA-N 1 0 470.637 3.625 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001306551112 1069214769 /nfs/dbraw/zinc/21/47/69/1069214769.db2.gz LCOVLAGLNRXVAZ-REWPJTCUSA-N 1 0 470.637 3.625 20 0 JHADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC001310920692 1069221998 /nfs/dbraw/zinc/22/19/98/1069221998.db2.gz ODDQQQMHOAKRNI-NRFANRHFSA-N 1 0 451.658 3.696 20 0 JHADRO CC[C@@H](CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC001310932705 1069226027 /nfs/dbraw/zinc/22/60/27/1069226027.db2.gz VPQWOTRCHJWQCR-ZWKOTPCHSA-N 1 0 458.525 3.578 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001306570188 1069237746 /nfs/dbraw/zinc/23/77/46/1069237746.db2.gz RMOAEAZUXMSLBY-PWRODBHTSA-N 1 0 495.672 3.564 20 0 JHADRO O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001310980031 1069238459 /nfs/dbraw/zinc/23/84/59/1069238459.db2.gz MDLTXVOOUGRVHY-CQSZACIVSA-N 1 0 455.506 3.989 20 0 JHADRO COC(=O)c1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)c(OCC(F)F)c1 ZINC001311013559 1069248577 /nfs/dbraw/zinc/24/85/77/1069248577.db2.gz PEGRRGZGZDWXAV-SFHVURJKSA-N 1 0 451.470 3.550 20 0 JHADRO COC(=O)c1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)c(OCC(F)F)c1 ZINC001311013558 1069248717 /nfs/dbraw/zinc/24/87/17/1069248717.db2.gz PEGRRGZGZDWXAV-GOSISDBHSA-N 1 0 451.470 3.550 20 0 JHADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001306587390 1069254213 /nfs/dbraw/zinc/25/42/13/1069254213.db2.gz VDZFMQOXENAYCD-XWGVYQGASA-N 1 0 488.721 3.815 20 0 JHADRO CN1CC[NH+](CCCCNC(=O)Nc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC001311040373 1069254746 /nfs/dbraw/zinc/25/47/46/1069254746.db2.gz IEPIGXSPYOJJGK-UHFFFAOYSA-N 1 0 452.422 3.722 20 0 JHADRO CCC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)OC ZINC001306590575 1069259441 /nfs/dbraw/zinc/25/94/41/1069259441.db2.gz VEJGDJVBPDMWAH-NZQKXSOJSA-N 1 0 457.667 3.975 20 0 JHADRO C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CCN(C)CC3)cc21 ZINC001311065872 1069263301 /nfs/dbraw/zinc/26/33/01/1069263301.db2.gz SKZLLWNVLXZTGP-QFWMQHCXSA-N 1 0 455.647 3.958 20 0 JHADRO COc1cncc(NC(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001311074335 1069265036 /nfs/dbraw/zinc/26/50/36/1069265036.db2.gz NFHZZHXYXWOQFT-UHFFFAOYSA-N 1 0 451.493 3.833 20 0 JHADRO CCN1c2ccc(NC(=O)NC[C@H](c3cccc(OC)c3)[NH+](C)C)cc2OCC(C)(C)C1=O ZINC001311079445 1069266128 /nfs/dbraw/zinc/26/61/28/1069266128.db2.gz AYJJXEIZEAVQKC-OAQYLSRUSA-N 1 0 454.571 3.891 20 0 JHADRO CCOC(=O)c1ccn(-c2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccccc3)cc2F)n1 ZINC001311093662 1069271015 /nfs/dbraw/zinc/27/10/15/1069271015.db2.gz GNTJIDXRDNVLTC-UHFFFAOYSA-N 1 0 453.518 3.784 20 0 JHADRO C[NH+]1CCC(n2cc(NC(=O)NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)cn2)CC1 ZINC001311099827 1069273624 /nfs/dbraw/zinc/27/36/24/1069273624.db2.gz RPUIVPZTVITAKS-UHFFFAOYSA-N 1 0 450.518 3.863 20 0 JHADRO CCCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001306598199 1069273932 /nfs/dbraw/zinc/27/39/32/1069273932.db2.gz DDTAHKOWLRGGQW-PMACEKPBSA-N 1 0 488.702 3.695 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC001311111869 1069275990 /nfs/dbraw/zinc/27/59/90/1069275990.db2.gz KGUWUXLXIDBERL-UHFFFAOYSA-N 1 0 458.916 3.552 20 0 JHADRO C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CN1C(=O)OC(C)(C)C ZINC001311164828 1069287867 /nfs/dbraw/zinc/28/78/67/1069287867.db2.gz ZKYHCRDEVQGCIJ-SYYKKAFVSA-N 1 0 457.619 3.881 20 0 JHADRO COc1cc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c2nccc(OC)c2c1 ZINC001311182824 1069292123 /nfs/dbraw/zinc/29/21/23/1069292123.db2.gz UHKVJVCWJMBKLE-IBGZPJMESA-N 1 0 450.539 3.530 20 0 JHADRO COc1cc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c2nccc(OC)c2c1 ZINC001311182349 1069292192 /nfs/dbraw/zinc/29/21/92/1069292192.db2.gz OQHHBRYNQFRYLM-FQEVSTJZSA-N 1 0 450.539 3.665 20 0 JHADRO COC(=O)c1cc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(Cl)cc1NC(C)=O ZINC001311191508 1069293664 /nfs/dbraw/zinc/29/36/64/1069293664.db2.gz POIUMNRFAHMAHK-IBGZPJMESA-N 1 0 450.898 3.649 20 0 JHADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(Cl)cc1NC(C)=O ZINC001311191815 1069294178 /nfs/dbraw/zinc/29/41/78/1069294178.db2.gz ZDBORTJSSQPYDG-SPLOXXLWSA-N 1 0 458.946 3.727 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCO1 ZINC001306615987 1069297211 /nfs/dbraw/zinc/29/72/11/1069297211.db2.gz DFPXYXZOJCQWMJ-QHCPKHFHSA-N 1 0 471.646 3.848 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CCCCCC2)CC[N@@H+]1CCOC ZINC001306618536 1069302021 /nfs/dbraw/zinc/30/20/21/1069302021.db2.gz UNDZPTHKOKPETE-HSZRJFAPSA-N 1 0 485.673 3.976 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCO[C@H]2C)CC[N@@H+]1CCOC ZINC001306618972 1069302992 /nfs/dbraw/zinc/30/29/92/1069302992.db2.gz HRAJFSYHDBBPHP-FFCVWOAGSA-N 1 0 499.700 3.720 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)CC[N@@H+]1CCOC ZINC001306620082 1069305112 /nfs/dbraw/zinc/30/51/12/1069305112.db2.gz XCGHAEVNHSDEIL-JOCHJYFZSA-N 1 0 485.677 3.655 20 0 JHADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2)[NH+](C)C ZINC001311244466 1069306875 /nfs/dbraw/zinc/30/68/75/1069306875.db2.gz ZFAWQBCSDXFPKD-UTKZUKDTSA-N 1 0 456.591 3.755 20 0 JHADRO Cc1sc2nc(CN3CCOCC3)nc(N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)c2c1C ZINC001164413995 718880855 /nfs/dbraw/zinc/88/08/55/718880855.db2.gz PINNKRUJVHUQJM-MRXNPFEDSA-N 1 0 469.577 3.794 20 0 JHADRO [NH3+][C@@]12C[C@@H]1CCN(C(F)(F)c1cccc(S(=O)(=O)Nc3nc4ccccc4nc3Cl)c1)C2 ZINC001164418526 718896587 /nfs/dbraw/zinc/89/65/87/718896587.db2.gz CZMXIWBKJCGBQH-VBKZILBWSA-N 1 0 479.940 3.556 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(SC)n1)C2 ZINC001164615161 719007516 /nfs/dbraw/zinc/00/75/16/719007516.db2.gz HCPOKYZIRUSAGJ-ORAYPTAESA-N 1 0 460.978 3.546 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc3ncc(Cl)nc3c1)C2 ZINC001164618203 719008329 /nfs/dbraw/zinc/00/83/29/719008329.db2.gz QWHTVHPIYQIPPO-PGRDOPGGSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001164615956 719010454 /nfs/dbraw/zinc/01/04/54/719010454.db2.gz KDVPYONUZXDXME-UZUQRXQVSA-N 1 0 491.970 3.886 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c3ccn4Cc3ccc(F)cc3)CC2)CC1 ZINC001164618572 719027735 /nfs/dbraw/zinc/02/77/35/719027735.db2.gz YWVUYJQHTNPSPU-UHFFFAOYSA-N 1 0 465.573 3.863 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)CC2)CC1 ZINC001164617957 719030927 /nfs/dbraw/zinc/03/09/27/719030927.db2.gz SGNOBFORJWGKSM-UHFFFAOYSA-N 1 0 460.578 3.969 20 0 JHADRO c1ccc([C@@H]2C[NH2+]C[C@@]23CCN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164623052 719047546 /nfs/dbraw/zinc/04/75/46/719047546.db2.gz LNOADRVVQIPWHJ-KDYSTLNUSA-N 1 0 475.662 3.596 20 0 JHADRO O=C(Nc1nncs1)c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164630925 719101875 /nfs/dbraw/zinc/10/18/75/719101875.db2.gz XRFIJYASHLAIJT-APWZRJJASA-N 1 0 454.987 3.940 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2ccnc(N(C)C)n2)C3)nc1 ZINC001164665378 719357816 /nfs/dbraw/zinc/35/78/16/719357816.db2.gz VPAOUDUMWFEKOT-WNCULLNHSA-N 1 0 479.673 3.608 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(N4CCCCC4)nn3)CC2)c2ccccc21 ZINC001164680000 719656321 /nfs/dbraw/zinc/65/63/21/719656321.db2.gz BXDBETNVRSWFET-JOCHJYFZSA-N 1 0 476.669 3.560 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4ccoc43)CC2)c2ccccc21 ZINC001164681358 719659714 /nfs/dbraw/zinc/65/97/14/719659714.db2.gz MEGBCWHDKNJNPC-QGZVFWFLSA-N 1 0 468.001 3.970 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4nc(Cl)ccc43)CC2)c2ccccc21 ZINC001164680642 719660416 /nfs/dbraw/zinc/66/04/16/719660416.db2.gz GRRRVUAXGGKPHH-SFHVURJKSA-N 1 0 479.028 3.772 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4cccc(F)c43)CC2)c2ccccc21 ZINC001164681479 719670927 /nfs/dbraw/zinc/67/09/27/719670927.db2.gz LKZRLCPYBHUGAQ-LJQANCHMSA-N 1 0 461.585 3.862 20 0 JHADRO CC(C)Oc1cccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686838 719671289 /nfs/dbraw/zinc/67/12/89/719671289.db2.gz XMPXNMOLZQUMJY-NRFANRHFSA-N 1 0 450.627 3.962 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(-c4cccnc4F)n3)CC2)c2ccccc21 ZINC001164683485 719674181 /nfs/dbraw/zinc/67/41/81/719674181.db2.gz RYGABTUMWREDTB-FQEVSTJZSA-N 1 0 488.611 3.771 20 0 JHADRO CC1CCN(c2ccc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nn2)CC1 ZINC001164680883 719677169 /nfs/dbraw/zinc/67/71/69/719677169.db2.gz IKNOLFXLYBRLAQ-QHCPKHFHSA-N 1 0 490.696 3.806 20 0 JHADRO CCc1c(Cl)ncnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680443 719678344 /nfs/dbraw/zinc/67/83/44/719678344.db2.gz FBKAXFBXJXUWST-SFHVURJKSA-N 1 0 456.034 3.786 20 0 JHADRO COc1cccc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c21 ZINC001164686950 719678782 /nfs/dbraw/zinc/67/87/82/719678782.db2.gz ZEFAERSUFJGTKZ-HXUWFJFHSA-N 1 0 473.621 3.732 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)Oc3cnc(Cl)cn3)CC2)c2ccccc21 ZINC001164687264 719682573 /nfs/dbraw/zinc/68/25/73/719682573.db2.gz RKRONKOYTDFBEH-KRWDZBQOSA-N 1 0 493.986 3.648 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164686292 719712275 /nfs/dbraw/zinc/71/22/75/719712275.db2.gz YXLRKIWRQWRRIO-UHFFFAOYSA-N 1 0 458.340 3.662 20 0 JHADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692007 719807634 /nfs/dbraw/zinc/80/76/34/719807634.db2.gz FBUGGICUSGBREI-UHFFFAOYSA-N 1 0 450.008 3.636 20 0 JHADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164696184 719896393 /nfs/dbraw/zinc/89/63/93/719896393.db2.gz ATCKSOZFTNIAJY-SNAWJCMRSA-N 1 0 452.580 3.682 20 0 JHADRO COCc1nn(-c2nc(CN3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)c2c1C[NH2+]C2 ZINC001164710489 720079065 /nfs/dbraw/zinc/07/90/65/720079065.db2.gz IXDLOPTVMUOCFS-HNNXBMFYSA-N 1 0 452.628 3.737 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(OC)c(OC)cc31)CC2 ZINC001164710770 720102902 /nfs/dbraw/zinc/10/29/02/720102902.db2.gz MHZJUZDHRQLECX-HXUWFJFHSA-N 1 0 463.582 3.550 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3sc(C)nc31)CC2 ZINC001164715490 720122382 /nfs/dbraw/zinc/12/23/82/720122382.db2.gz GIFCIMXWMLZLFT-KRWDZBQOSA-N 1 0 459.019 3.951 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH]c(Cl)cc3nc(C(=O)OC)cc1-3)CC2 ZINC001164710421 720130971 /nfs/dbraw/zinc/13/09/71/720130971.db2.gz BERFZRDRQWJJBP-SFHVURJKSA-N 1 0 484.000 3.905 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)C2 ZINC001164819038 720149558 /nfs/dbraw/zinc/14/95/58/720149558.db2.gz VQOXPSVUJWWCFL-HRAATJIYSA-N 1 0 452.933 3.893 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(F)ccc1Oc1ccc(Cl)nn1)CCC2 ZINC001164813905 720236979 /nfs/dbraw/zinc/23/69/79/720236979.db2.gz RKCPASWSHKDTAB-UHFFFAOYSA-N 1 0 472.952 3.869 20 0 JHADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164813936 720238385 /nfs/dbraw/zinc/23/83/85/720238385.db2.gz SEVQVOZJSNFENC-UHFFFAOYSA-N 1 0 452.990 3.913 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(F)ccc1-c1ccc(Cl)nn1)CCC2 ZINC001164814538 720240330 /nfs/dbraw/zinc/24/03/30/720240330.db2.gz XOQGNMNHLCQBQL-UHFFFAOYSA-N 1 0 456.953 3.743 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(C(=O)NCc3ccccc3)cc(Cl)n2)CC1 ZINC001164819652 720303739 /nfs/dbraw/zinc/30/37/39/720303739.db2.gz FLVPCYXYGKMWKH-DHIUTWEWSA-N 1 0 496.055 3.577 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2nc3ccsc3c(Cl)n2)CC1 ZINC001164828267 720304560 /nfs/dbraw/zinc/30/45/60/720304560.db2.gz ZOCCVEFGIQJLTL-HZPDHXFCSA-N 1 0 469.989 3.801 20 0 JHADRO CSc1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164830834 720334882 /nfs/dbraw/zinc/33/48/82/720334882.db2.gz QCJVJLSKSCIXIR-ROUUACIJSA-N 1 0 459.006 3.913 20 0 JHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828724 720338709 /nfs/dbraw/zinc/33/87/09/720338709.db2.gz POADPQAMRKOJFJ-NIJXNBFTSA-N 1 0 476.669 3.920 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(-c3ccco3)nnc2Cl)CC1 ZINC001164828311 720340891 /nfs/dbraw/zinc/34/08/91/720340891.db2.gz OCRMXAFQNHXVQL-MOPGFXCFSA-N 1 0 479.959 3.846 20 0 JHADRO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2C)cc1 ZINC001164821687 720350864 /nfs/dbraw/zinc/35/08/64/720350864.db2.gz BHSXQMBTJMCJLE-CLJLJLNGSA-N 1 0 477.653 3.604 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2ccccc2)CC1 ZINC001164824377 720352452 /nfs/dbraw/zinc/35/24/52/720352452.db2.gz IAALKEKQNHHXKU-VQTJNVASSA-N 1 0 455.990 3.834 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)C2(c3ccc(Cl)nc3)CC2)CC1 ZINC001164830768 720354715 /nfs/dbraw/zinc/35/47/15/720354715.db2.gz WYAGLISJOAJJTJ-OALUTQOASA-N 1 0 452.977 3.767 20 0 JHADRO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2c1 ZINC001164835723 720514149 /nfs/dbraw/zinc/51/41/49/720514149.db2.gz KJLCPPIWRMGNSE-BBTUJRGHSA-N 1 0 468.989 3.644 20 0 JHADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1Cl ZINC001164835733 720523301 /nfs/dbraw/zinc/52/33/01/720523301.db2.gz KPLPFUKSQTVNGX-SOLBZPMBSA-N 1 0 467.948 3.641 20 0 JHADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)n1 ZINC001164840836 720537295 /nfs/dbraw/zinc/53/72/95/720537295.db2.gz UDYNKUUGZLGWGS-GPMSIDNRSA-N 1 0 467.948 3.641 20 0 JHADRO Cc1sc2nc(CN3CCOCC3)nc(N([C@@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c2c1C ZINC001164734003 720546653 /nfs/dbraw/zinc/54/66/53/720546653.db2.gz FTTFRFSATBXYRT-IBGZPJMESA-N 1 0 473.687 3.656 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736158 720586394 /nfs/dbraw/zinc/58/63/94/720586394.db2.gz FJEICOACMWRERH-UHFFFAOYSA-N 1 0 459.932 3.592 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)CC[C@@H]21 ZINC001164837341 720639429 /nfs/dbraw/zinc/63/94/29/720639429.db2.gz IBWNSFYUWUPEBO-LNLFQRSKSA-N 1 0 482.963 3.946 20 0 JHADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164740124 720660156 /nfs/dbraw/zinc/66/01/56/720660156.db2.gz QGEOQKVVXSSECW-PZJWPPBQSA-N 1 0 472.524 3.576 20 0 JHADRO Clc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2cc1Cl ZINC001164739324 720662100 /nfs/dbraw/zinc/66/21/00/720662100.db2.gz NALKTVPANNKYPO-NWDGAFQWSA-N 1 0 451.745 3.722 20 0 JHADRO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736798 720699180 /nfs/dbraw/zinc/69/91/80/720699180.db2.gz BGRRXTXVVDSFAX-YADHBBJMSA-N 1 0 485.979 3.991 20 0 JHADRO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)C1 ZINC001164836481 720712920 /nfs/dbraw/zinc/71/29/20/720712920.db2.gz BHQNDJBKSSEMLU-BJKOFHAPSA-N 1 0 493.652 3.516 20 0 JHADRO c1ccc(COc2ccc3nc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)ccc3c2)cc1 ZINC001164741025 720718065 /nfs/dbraw/zinc/71/80/65/720718065.db2.gz RXSJAHAFZDMOPU-LADGPHEKSA-N 1 0 453.546 3.946 20 0 JHADRO c1ccc(COc2ccc3nc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)ccc3c2)cc1 ZINC001164741027 720720116 /nfs/dbraw/zinc/72/01/16/720720116.db2.gz RXSJAHAFZDMOPU-UPVQGACJSA-N 1 0 453.546 3.946 20 0 JHADRO COc1cc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(Cl)n1 ZINC001164836189 720727432 /nfs/dbraw/zinc/72/74/32/720727432.db2.gz BXXLLRPEBSEWNS-QGZVFWFLSA-N 1 0 452.933 3.943 20 0 JHADRO FC(F)(c1cnc(Cl)nc1Cl)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844348 720741769 /nfs/dbraw/zinc/74/17/69/720741769.db2.gz QDPTWKCUZHETES-UHFFFAOYSA-N 1 0 466.323 3.686 20 0 JHADRO c1ccc(-c2ccc(-c3ccc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164740970 720783903 /nfs/dbraw/zinc/78/39/03/720783903.db2.gz LUCWGURPAPDUFD-ZEQRLZLVSA-N 1 0 450.546 3.943 20 0 JHADRO Clc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164745330 720802972 /nfs/dbraw/zinc/80/29/72/720802972.db2.gz JYKXKFLBUURKNX-WBVHZDCISA-N 1 0 459.337 3.708 20 0 JHADRO 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3.784 20 0 JHADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743868 720859656 /nfs/dbraw/zinc/85/96/56/720859656.db2.gz APZIFPAVECLBIE-VAMGGRTRSA-N 1 0 496.015 3.902 20 0 JHADRO Clc1ccc2c(Cl)ncnc2c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751040 720860463 /nfs/dbraw/zinc/86/04/63/720860463.db2.gz PVDAXSAWIDZLEG-FRQCXROJSA-N 1 0 458.397 3.908 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC[C@H]2C1 ZINC001164855424 720864402 /nfs/dbraw/zinc/86/44/02/720864402.db2.gz MFVWIQTVZGGGPC-ROUUACIJSA-N 1 0 452.933 3.515 20 0 JHADRO CCOC(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164749133 720869560 /nfs/dbraw/zinc/86/95/60/720869560.db2.gz HDRQBUQRVSLSLR-WNCULLNHSA-N 1 0 464.610 3.717 20 0 JHADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754073 720870507 /nfs/dbraw/zinc/87/05/07/720870507.db2.gz QYYYXACPKQEEEN-HFZDXXHNSA-N 1 0 497.665 3.525 20 0 JHADRO COC(=O)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1Cl ZINC001164755522 720873993 /nfs/dbraw/zinc/87/39/93/720873993.db2.gz YGGKIWBYQCWEIM-NLFFAJNJSA-N 1 0 471.001 3.672 20 0 JHADRO FC(F)(c1cnc(Cl)cn1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749105 720874579 /nfs/dbraw/zinc/87/45/79/720874579.db2.gz GTCULYLCILJVGV-SIKLNZKXSA-N 1 0 463.960 3.825 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(F)c(F)c4)c4ccccc43)CC[C@H]2C1 ZINC001164863034 720874695 /nfs/dbraw/zinc/87/46/95/720874695.db2.gz SKBDTGPVRHKYBR-MBSDFSHPSA-N 1 0 454.521 3.749 20 0 JHADRO CCOC(=O)c1cc(F)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747965 720877382 /nfs/dbraw/zinc/87/73/82/720877382.db2.gz CZSGVNGBPBFXHG-LVXARBLLSA-N 1 0 468.573 3.548 20 0 JHADRO COc1cc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1OC ZINC001164752289 720878012 /nfs/dbraw/zinc/87/80/12/720878012.db2.gz MLBSWWHYLHLEGJ-RBISFHTESA-N 1 0 489.620 3.797 20 0 JHADRO 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Fc1ncccc1-c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757841 720898683 /nfs/dbraw/zinc/89/86/83/720898683.db2.gz VVQIQBGFIXQNPJ-AMGIVPHBSA-N 1 0 474.584 3.828 20 0 JHADRO CCOCc1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755674 720903892 /nfs/dbraw/zinc/90/38/92/720903892.db2.gz MKZXDUQKXANGHG-WIOPSUGQSA-N 1 0 472.033 3.817 20 0 JHADRO CC1CCN(c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)CC1 ZINC001164755126 720913201 /nfs/dbraw/zinc/91/32/01/720913201.db2.gz YNQMEBZMJNPZKU-LBNVMWSVSA-N 1 0 476.669 3.863 20 0 JHADRO c1nc2c(ncnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1-c1ccccc1 ZINC001164752041 720927852 /nfs/dbraw/zinc/92/78/52/720927852.db2.gz MSCHBYHYPJFOFK-PWUYWRBVSA-N 1 0 495.631 3.966 20 0 JHADRO COC(=O)c1cc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164754254 720932535 /nfs/dbraw/zinc/93/25/35/720932535.db2.gz VOTAKLQYQJCWGJ-HFZDXXHNSA-N 1 0 485.028 3.980 20 0 JHADRO COc1nnc(Cl)cc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749042 720936662 /nfs/dbraw/zinc/93/66/62/720936662.db2.gz HMJYEGWSSNYWAG-AUSIDOKSSA-N 1 0 493.986 3.834 20 0 JHADRO COc1nnc(Cl)cc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749046 720936746 /nfs/dbraw/zinc/93/67/46/720936746.db2.gz HMJYEGWSSNYWAG-WMZHIEFXSA-N 1 0 493.986 3.834 20 0 JHADRO COc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(Cl)n1 ZINC001164751306 720937593 /nfs/dbraw/zinc/93/75/93/720937593.db2.gz LFNBIFWJVDWVPJ-CVDCTZTESA-N 1 0 493.986 3.834 20 0 JHADRO FC(F)(Oc1cnc(Cl)cn1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754684 720938202 /nfs/dbraw/zinc/93/82/02/720938202.db2.gz XHIJMHRKKRBHHA-UGKGYDQZSA-N 1 0 479.959 3.705 20 0 JHADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(-c3ccc(F)cc3)nc3cc(Cl)ccc31)CC2 ZINC001164749429 720958565 /nfs/dbraw/zinc/95/85/65/720958565.db2.gz DUQRILFWYIHGKS-UHFFFAOYSA-N 1 0 494.958 3.931 20 0 JHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164759307 720984234 /nfs/dbraw/zinc/98/42/34/720984234.db2.gz ZYCOHVIGFXNDOO-KRWDZBQOSA-N 1 0 463.960 3.916 20 0 JHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)[C@H]2C ZINC001164860284 721024267 /nfs/dbraw/zinc/02/42/67/721024267.db2.gz KQSPHUNLEFMHRM-LBPRGKRZSA-N 1 0 455.966 3.989 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(C)C[C@H](COCC4CC4)[C@@H]3CC2)nc1 ZINC001164860333 721030299 /nfs/dbraw/zinc/03/02/99/721030299.db2.gz LHKSVKXLUVMWBY-WSOYEBOPSA-N 1 0 454.659 3.976 20 0 JHADRO COC(=O)c1ccc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)nc1C(=O)OC ZINC001164763800 721042777 /nfs/dbraw/zinc/04/27/77/721042777.db2.gz LFQRWPHJEASUFT-UHFFFAOYSA-N 1 0 451.567 3.846 20 0 JHADRO Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)n1 ZINC001164766949 721051990 /nfs/dbraw/zinc/05/19/90/721051990.db2.gz GIFZHECPQVHDHX-CLJLJLNGSA-N 1 0 453.590 3.723 20 0 JHADRO c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc(-c5cnccn5)nc5sc6c(c54)CCCC6)CC[N@@H+]3C2)c1 ZINC001164876425 721166877 /nfs/dbraw/zinc/16/68/77/721166877.db2.gz MGBZKVFTQBOHQF-WOJBJXKFSA-N 1 0 499.644 3.902 20 0 JHADRO Cc1sc2nc(CN3CCCC3)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164771469 721199991 /nfs/dbraw/zinc/19/99/91/721199991.db2.gz QFAHOUXGTOXODX-SFTDATJTSA-N 1 0 465.671 3.596 20 0 JHADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164766050 721200534 /nfs/dbraw/zinc/20/05/34/721200534.db2.gz IVSSPVQHKNSHKL-BJKOFHAPSA-N 1 0 455.610 3.788 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccccn5)c(-c5ccccn5)nc4Cl)C[C@H]3C2)cn1 ZINC001164767262 721243883 /nfs/dbraw/zinc/24/38/83/721243883.db2.gz WNFRBIIABSVRFX-VQTJNVASSA-N 1 0 487.011 3.946 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccccn5)c(-c5ccccn5)nc4Cl)C[C@@H]3C2)cn1 ZINC001164767257 721244092 /nfs/dbraw/zinc/24/40/92/721244092.db2.gz WNFRBIIABSVRFX-PMACEKPBSA-N 1 0 487.011 3.946 20 0 JHADRO COC(=O)c1ccc2nc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ccc2c1 ZINC001164777416 721347977 /nfs/dbraw/zinc/34/79/77/721347977.db2.gz GUVGXVFKMRIRSY-AREMUKBSSA-N 1 0 464.566 3.745 20 0 JHADRO COc1cc2c(cc1F)ncnc2N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782306 721359523 /nfs/dbraw/zinc/35/95/23/721359523.db2.gz MTLUABAMHRBWOK-XMMPIXPASA-N 1 0 455.534 3.501 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887897 721380737 /nfs/dbraw/zinc/38/07/37/721380737.db2.gz ITLWCMQZGCWSMB-VGSWGCGISA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C3)O2)CC1 ZINC001164889246 721394530 /nfs/dbraw/zinc/39/45/30/721394530.db2.gz LFOFMJMWBWHIEU-OPAMFIHVSA-N 1 0 483.966 3.733 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890104 721407505 /nfs/dbraw/zinc/40/75/05/721407505.db2.gz SCSCVXDDHNTMEG-IRPSRAIASA-N 1 0 484.648 3.971 20 0 JHADRO Cc1nc(COC[C@@H]2CCC[C@@]23CN(c2cccc(OCC[NH+]4CCCC4)n2)CCO3)cs1 ZINC001164785139 721444510 /nfs/dbraw/zinc/44/45/10/721444510.db2.gz RSDIAPUSOMMKFR-SQJMNOBHSA-N 1 0 472.655 3.913 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccn5)nc5sccc54)C3)O2)CC1 ZINC001164889623 721445063 /nfs/dbraw/zinc/44/50/63/721445063.db2.gz CJASXYHSXUOMJU-KBMIEXCESA-N 1 0 464.639 3.519 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)CC2 ZINC001164789411 721450154 /nfs/dbraw/zinc/45/01/54/721450154.db2.gz VOGUIBBWQSYBRH-MRXNPFEDSA-N 1 0 468.429 3.999 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4cccc(F)c4)C3)O2)CC1 ZINC001164884432 721450635 /nfs/dbraw/zinc/45/06/35/721450635.db2.gz BDVRUXUIKLBEHI-YKSBVNFPSA-N 1 0 475.996 3.827 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164790312 721451838 /nfs/dbraw/zinc/45/18/38/721451838.db2.gz YCQNWPMAGJOLJP-DEOSSOPVSA-N 1 0 484.685 3.878 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)CC2 ZINC001164787774 721453661 /nfs/dbraw/zinc/45/36/61/721453661.db2.gz QHDKVVAKINJTJQ-HXUWFJFHSA-N 1 0 475.634 3.558 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164786882 721457839 /nfs/dbraw/zinc/45/78/39/721457839.db2.gz QDKJRCBMVREVFC-HSZRJFAPSA-N 1 0 467.610 3.755 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3ccc(C(=O)OC)cc3cn1)CC2 ZINC001164786270 721465254 /nfs/dbraw/zinc/46/52/54/721465254.db2.gz AGPZZSJFLBFTLW-DEOSSOPVSA-N 1 0 467.610 3.755 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164786289 721467442 /nfs/dbraw/zinc/46/74/42/721467442.db2.gz ARKCWVDTONWLGF-GOSISDBHSA-N 1 0 485.019 3.898 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3cc(OC)ccc3OC)nn1)CC2 ZINC001164791174 721469486 /nfs/dbraw/zinc/46/94/86/721469486.db2.gz UYFQMYZCPCPFOW-QFIPXVFZSA-N 1 0 496.652 3.895 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc(OC)cc3OC)nn1)CC2 ZINC001164790132 721469571 /nfs/dbraw/zinc/46/95/71/721469571.db2.gz ROYNSJNPIMWDPB-QFIPXVFZSA-N 1 0 496.652 3.895 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3sc(C)nc3C)nn1)CC2 ZINC001164789491 721470115 /nfs/dbraw/zinc/47/01/15/721470115.db2.gz NFVZVDPBUNVRMV-NRFANRHFSA-N 1 0 471.671 3.951 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)nc1 ZINC001164892558 721471473 /nfs/dbraw/zinc/47/14/73/721471473.db2.gz GJLIZIGLSHIDNH-QFIPXVFZSA-N 1 0 490.608 3.509 20 0 JHADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164795956 721498592 /nfs/dbraw/zinc/49/85/92/721498592.db2.gz NUTQAVCBBCEWNT-UHFFFAOYSA-N 1 0 451.615 3.835 20 0 JHADRO CN(C)C(=O)c1cc2cnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164908831 721534378 /nfs/dbraw/zinc/53/43/78/721534378.db2.gz QRZPRYBEYMGEHM-JTHBVZDNSA-N 1 0 492.599 3.729 20 0 JHADRO COc1ccc(Cn2cc3[nH]c(N4CC[N@@H+]5C[C@@H](Oc6cccc(F)c6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164911351 721550780 /nfs/dbraw/zinc/55/07/80/721550780.db2.gz YYSQWTSPEOPHFF-URXFXBBRSA-N 1 0 488.563 3.727 20 0 JHADRO O=C(NC1CCCC1)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164908240 721556180 /nfs/dbraw/zinc/55/61/80/721556180.db2.gz QANWEMPSGQOMHB-TZIWHRDSSA-N 1 0 458.965 3.888 20 0 JHADRO FC1(F)CCN(c2nc3ccsc3c(N3CCOCC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904267 721691960 /nfs/dbraw/zinc/69/19/60/721691960.db2.gz FBMWRVQZSZUMPY-HSZRJFAPSA-N 1 0 486.592 3.661 20 0 JHADRO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164911624 721736887 /nfs/dbraw/zinc/73/68/87/721736887.db2.gz JRKHSSNXROJSDX-YCRPNKLZSA-N 1 0 465.932 3.539 20 0 JHADRO O=C1N(c2cccnc2)CC[C@]12CN(c1cccc(OCC[NH+]3CCCC3)n1)C[C@H]2c1ccccc1 ZINC001164912294 721741726 /nfs/dbraw/zinc/74/17/26/721741726.db2.gz NTHMFOFFQCITFH-ABYGYWHVSA-N 1 0 483.616 3.978 20 0 JHADRO CSCc1nc2sc3c(c2c(N2CCCC24CC[NH+](CC(=O)N(C)C)CC4)n1)CCCC3 ZINC001165011323 721745254 /nfs/dbraw/zinc/74/52/54/721745254.db2.gz VJWUYQQNGVFTHW-UHFFFAOYSA-N 1 0 473.712 3.956 20 0 JHADRO CC(=O)Oc1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC(C)=O ZINC001165020813 721819462 /nfs/dbraw/zinc/81/94/62/721819462.db2.gz DHNGYYDURVLYHR-NGYIFUPDSA-N 1 0 489.576 3.612 20 0 JHADRO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164923388 721837552 /nfs/dbraw/zinc/83/75/52/721837552.db2.gz KDDXINNSHINXSA-CVDCTZTESA-N 1 0 490.986 3.711 20 0 JHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3ccsc3c(N3CCOCC3)n2)CC1 ZINC001165021472 721838951 /nfs/dbraw/zinc/83/89/51/721838951.db2.gz NBXJKTDLXSUGOY-UHFFFAOYSA-N 1 0 483.638 3.646 20 0 JHADRO COC(=O)c1cccc2nc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)ncc21 ZINC001165019289 721839874 /nfs/dbraw/zinc/83/98/74/721839874.db2.gz CFDRSUVMMPJCOJ-UHFFFAOYSA-N 1 0 450.539 3.534 20 0 JHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cnc3cc(OC)c(OC)cc3n2)CC1 ZINC001165020274 721840761 /nfs/dbraw/zinc/84/07/61/721840761.db2.gz HDGXGXVRUCROMX-UHFFFAOYSA-N 1 0 452.555 3.765 20 0 JHADRO COC(=O)c1cc2ccncc2nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165023042 721841704 /nfs/dbraw/zinc/84/17/04/721841704.db2.gz WMPMRLNHIFLKRK-UHFFFAOYSA-N 1 0 450.539 3.534 20 0 JHADRO CC1CCN(Cc2nc3sc4c(c3c(N3CC[C@H]5[C@H]3CC[N@@H+]5CCN(C)C)n2)CCC4)CC1 ZINC001164932852 721879328 /nfs/dbraw/zinc/87/93/28/721879328.db2.gz KCLCVYIOPVZUJU-LEWJYISDSA-N 1 0 468.715 3.627 20 0 JHADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164932555 721880120 /nfs/dbraw/zinc/88/01/20/721880120.db2.gz JBAPEYXIRBVTLD-UXHICEINSA-N 1 0 479.650 3.592 20 0 JHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@@H]5[C@H]4CC[N@@H+]5CCN(C)C)c23)C1 ZINC001164934819 721880253 /nfs/dbraw/zinc/88/02/53/721880253.db2.gz UPSGPVXEIFTMDY-HMXCVIKNSA-N 1 0 468.715 3.627 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)nc1 ZINC001164935415 721909656 /nfs/dbraw/zinc/90/96/56/721909656.db2.gz IGOACZPVBJLVFH-DEOSSOPVSA-N 1 0 452.647 3.624 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)nc1 ZINC001164935416 721909720 /nfs/dbraw/zinc/90/97/20/721909720.db2.gz IGOACZPVBJLVFH-XMMPIXPASA-N 1 0 452.647 3.624 20 0 JHADRO Cc1nc2c(cc(-c3nc(N4CC[NH+](C[C@@H]5CCCO5)CC4)ncc3F)cc2F)n1C(C)C ZINC001165036457 721909863 /nfs/dbraw/zinc/90/98/63/721909863.db2.gz CLAWSOQCAMBIBY-SFHVURJKSA-N 1 0 456.541 3.962 20 0 JHADRO CCOC(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1C(=O)OCC ZINC001164941813 721933731 /nfs/dbraw/zinc/93/37/31/721933731.db2.gz JQQLDVUWEZIOAV-UHFFFAOYSA-N 1 0 481.593 3.615 20 0 JHADRO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)cc1C(=O)OCC ZINC001164941783 721933903 /nfs/dbraw/zinc/93/39/03/721933903.db2.gz JDJREEBFEPARCE-UHFFFAOYSA-N 1 0 481.593 3.615 20 0 JHADRO CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1CN1CC[C@H](CO)C1 ZINC001165049143 721973742 /nfs/dbraw/zinc/97/37/42/721973742.db2.gz NUOCEBSNYCLZIP-FCHUYYIVSA-N 1 0 471.690 3.725 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nc1 ZINC001165050797 721981790 /nfs/dbraw/zinc/98/17/90/721981790.db2.gz WROADESGYYAVKX-URXFXBBRSA-N 1 0 450.583 3.507 20 0 JHADRO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1Cl ZINC001164955082 722012731 /nfs/dbraw/zinc/01/27/31/722012731.db2.gz SUJCCDSMEFAQCS-UHFFFAOYSA-N 1 0 465.932 3.739 20 0 JHADRO CCOC(Cc1c(Cl)ncnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)OCC ZINC001164952133 722017684 /nfs/dbraw/zinc/01/76/84/722017684.db2.gz HTSIQIUJSCYKBW-UHFFFAOYSA-N 1 0 460.022 3.959 20 0 JHADRO CCOC(=O)c1cc2c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)[nH]c(C)c(C)c-2n1 ZINC001164963248 722057215 /nfs/dbraw/zinc/05/72/15/722057215.db2.gz JPPOEJDDPVBNFB-UHFFFAOYSA-N 1 0 477.609 3.870 20 0 JHADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164962269 722057224 /nfs/dbraw/zinc/05/72/24/722057224.db2.gz CEIKTLHBEHMXJW-UHFFFAOYSA-N 1 0 472.033 3.731 20 0 JHADRO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963099 722057259 /nfs/dbraw/zinc/05/72/59/722057259.db2.gz HDQFJMBAXUVZQQ-UHFFFAOYSA-N 1 0 472.033 3.777 20 0 JHADRO Fc1cccc(Oc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)c1 ZINC001164963408 722057884 /nfs/dbraw/zinc/05/78/84/722057884.db2.gz YQEZTGNCQXGRAP-UHFFFAOYSA-N 1 0 484.963 3.970 20 0 JHADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1Cl ZINC001164984371 722107617 /nfs/dbraw/zinc/10/76/17/722107617.db2.gz SWKVPPXPLJJGPV-AEFFLSMTSA-N 1 0 465.381 3.687 20 0 JHADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980443 722112781 /nfs/dbraw/zinc/11/27/81/722112781.db2.gz RETKICKQCOUNAQ-UWJYYQICSA-N 1 0 459.928 3.950 20 0 JHADRO c1cc2c(nc(-c3ccccn3)nc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164976053 722152165 /nfs/dbraw/zinc/15/21/65/722152165.db2.gz GVSHKURHXHPTBY-KNQAVFIVSA-N 1 0 458.591 3.876 20 0 JHADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972242 722154010 /nfs/dbraw/zinc/15/40/10/722154010.db2.gz HNNXDBHQVXCLPJ-NVXWUHKLSA-N 1 0 459.324 3.935 20 0 JHADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972593 722155146 /nfs/dbraw/zinc/15/51/46/722155146.db2.gz IOUUHNLBTNJOCJ-DOTOQJQBSA-N 1 0 459.324 3.935 20 0 JHADRO Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC001164990609 722189234 /nfs/dbraw/zinc/18/92/34/722189234.db2.gz LOBBTNVAHZFBOI-UHFFFAOYSA-N 1 0 471.605 3.933 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1C ZINC001164996772 722207212 /nfs/dbraw/zinc/20/72/12/722207212.db2.gz WQXOYRYAXUOUKI-QHCPKHFHSA-N 1 0 457.937 3.792 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1 ZINC001165000734 722219100 /nfs/dbraw/zinc/21/91/00/722219100.db2.gz YGTBYEQUKWPXJO-RPLLCQBOSA-N 1 0 476.625 3.845 20 0 JHADRO CCN(CC)c1ccnc([C@H]2COCCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)n1 ZINC001165000903 722226377 /nfs/dbraw/zinc/22/63/77/722226377.db2.gz VVGLQDSTIIPSLJ-XMMPIXPASA-N 1 0 458.610 3.854 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)CCC2 ZINC001165001862 722255511 /nfs/dbraw/zinc/25/55/11/722255511.db2.gz HOXRCTVFJXNJIV-UHFFFAOYSA-N 1 0 477.609 3.869 20 0 JHADRO COC(=O)c1ccc(-c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2C)cc1 ZINC001165002955 722255853 /nfs/dbraw/zinc/25/58/53/722255853.db2.gz YJMSROYCTNOBAF-UHFFFAOYSA-N 1 0 463.582 3.529 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1 ZINC001165004429 722270342 /nfs/dbraw/zinc/27/03/42/722270342.db2.gz ASUIBJNNBAZEPK-JYFHCDHNSA-N 1 0 451.590 3.695 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(F)c(F)c2)CC[N@@H+]1CCOC ZINC001306623634 1069315904 /nfs/dbraw/zinc/31/59/04/1069315904.db2.gz FLOBGBSEAWUGOS-UGKGYDQZSA-N 1 0 463.573 3.783 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC(F)(F)c2ccccc2)CC[N@@H+]1CCOC ZINC001306624129 1069317261 /nfs/dbraw/zinc/31/72/61/1069317261.db2.gz IFHXLJQFDOPPGC-FPOVZHCZSA-N 1 0 463.573 3.511 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC)n2CCc2ccc(Br)s2)CC[N@@H+]1CCOC ZINC001306626124 1069320633 /nfs/dbraw/zinc/32/06/33/1069320633.db2.gz CJHQGRQWXFMDLQ-INIZCTEOSA-N 1 0 470.481 3.844 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)c2ncc(C)s2)CC[N@@H+]1CCOC ZINC001306626099 1069320995 /nfs/dbraw/zinc/32/09/95/1069320995.db2.gz WFRPINNCLFMHNE-SESVDKBCSA-N 1 0 476.691 3.678 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCCO2)CC[N@@H+]1CCOC ZINC001306626729 1069322803 /nfs/dbraw/zinc/32/28/03/1069322803.db2.gz KKZHYICNVBWFRF-YADHBBJMSA-N 1 0 459.610 3.514 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ncccc2C)CC[N@@H+]1CCOC ZINC001306627151 1069323558 /nfs/dbraw/zinc/32/35/58/1069323558.db2.gz RCNDWLLOBTYALB-QHCPKHFHSA-N 1 0 466.605 3.697 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC)n2Cc2ccccc2OC(F)(F)F)CC[N@@H+]1CCOC ZINC001306627159 1069323454 /nfs/dbraw/zinc/32/34/54/1069323454.db2.gz RHCRFKMFLYKVQQ-SFHVURJKSA-N 1 0 455.525 3.725 20 0 JHADRO CCN(C(=O)Nc1nc2cc(S(=O)(=O)CC)ccc2o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311328536 1069326147 /nfs/dbraw/zinc/32/61/47/1069326147.db2.gz LIQJERNBCXAXCC-GOSISDBHSA-N 1 0 456.568 3.750 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1CCOC ZINC001306629066 1069327895 /nfs/dbraw/zinc/32/78/95/1069327895.db2.gz IFZFAJPVVGYOCJ-RTWAWAEBSA-N 1 0 479.620 3.512 20 0 JHADRO Cc1cccc(NC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1I ZINC001311334741 1069328461 /nfs/dbraw/zinc/32/84/61/1069328461.db2.gz CRNXGCCVRRDRKJ-OAHLLOKOSA-N 1 0 457.356 3.707 20 0 JHADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)Nc1nn(CC(F)F)c2ccccc21 ZINC001311336679 1069328531 /nfs/dbraw/zinc/32/85/31/1069328531.db2.gz GNUCWAWUWPCMPU-UHFFFAOYSA-N 1 0 457.525 3.840 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2nc(C(C)(C)C)cs2)CC[N@@H+]1CCOC ZINC001306629791 1069329019 /nfs/dbraw/zinc/32/90/19/1069329019.db2.gz LHYFYXWOHXYFQC-OALUTQOASA-N 1 0 476.691 3.521 20 0 JHADRO COC(=O)c1cc(NC(=O)NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)cnc1C ZINC001311340564 1069329565 /nfs/dbraw/zinc/32/95/65/1069329565.db2.gz UJMMJNQGJQDUIT-HDICACEKSA-N 1 0 454.571 3.507 20 0 JHADRO COC(=O)c1cc(NC(=O)NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)cnc1C ZINC001311340565 1069329813 /nfs/dbraw/zinc/32/98/13/1069329813.db2.gz UJMMJNQGJQDUIT-QZTJIDSGSA-N 1 0 454.571 3.507 20 0 JHADRO CCOC(=O)[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C[C@H]1C(F)(F)F ZINC001311341375 1069329918 /nfs/dbraw/zinc/32/99/18/1069329918.db2.gz PPNWHNBMGSBEEC-WOJBJXKFSA-N 1 0 455.521 3.802 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC001306630758 1069330426 /nfs/dbraw/zinc/33/04/26/1069330426.db2.gz QRJPJJXHYINXRO-VQTJNVASSA-N 1 0 474.675 3.539 20 0 JHADRO COc1ccc([C@H](CNC(=O)NC[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)[NH+]2CCCC2)cc1 ZINC001311348027 1069334526 /nfs/dbraw/zinc/33/45/26/1069334526.db2.gz XUTCTNIKFFEJMY-ZCYQVOJMSA-N 1 0 450.583 3.941 20 0 JHADRO CCC[N@H+](C)[C@H](CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC001311348177 1069335091 /nfs/dbraw/zinc/33/50/91/1069335091.db2.gz HWUQAIPKOXWXMZ-DNQXCXABSA-N 1 0 459.034 3.923 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)[NH+]2CCCCC2)cc1 ZINC001311350414 1069336238 /nfs/dbraw/zinc/33/62/38/1069336238.db2.gz SCEFTMIGDIRTMU-LJQANCHMSA-N 1 0 455.584 3.774 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCC[C@@H]2CSc3ccccc3O2)CC1 ZINC001311359203 1069342716 /nfs/dbraw/zinc/34/27/16/1069342716.db2.gz VYFLJFBHRMJAOM-JOCHJYFZSA-N 1 0 454.640 3.567 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001306635846 1069343888 /nfs/dbraw/zinc/34/38/88/1069343888.db2.gz JPBNNGCUUZDKLC-OAQYLSRUSA-N 1 0 467.662 3.798 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)C1 ZINC001311359679 1069343914 /nfs/dbraw/zinc/34/39/14/1069343914.db2.gz PXRLDLYDOGHDMG-TYBLODHISA-N 1 0 450.627 3.663 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCCC[C@@H]3[C@@H](O)c3ccccc3)CC2)c1 ZINC001311380322 1069353962 /nfs/dbraw/zinc/35/39/62/1069353962.db2.gz KPZPNSDGXWDMOZ-FTJBHMTQSA-N 1 0 450.627 3.805 20 0 JHADRO CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001306643601 1069354680 /nfs/dbraw/zinc/35/46/80/1069354680.db2.gz DWJFNDDAJYCIJE-IBGZPJMESA-N 1 0 457.619 3.842 20 0 JHADRO Cc1cccc([C@@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)N2CCOCC2)c1 ZINC001311391577 1069358729 /nfs/dbraw/zinc/35/87/29/1069358729.db2.gz OMPVHFMNJJFGBU-BKMJKUGQSA-N 1 0 450.627 3.893 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C)n(C)c2=O)CC[N@@H+]1CCOC ZINC001306649572 1069361332 /nfs/dbraw/zinc/36/13/32/1069361332.db2.gz VMZYOIHEQVKEST-NRFANRHFSA-N 1 0 499.059 3.591 20 0 JHADRO C[C@@H](CNC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC001311398908 1069361740 /nfs/dbraw/zinc/36/17/40/1069361740.db2.gz BNWJEMIRTZCGPW-GQIGUUNPSA-N 1 0 450.546 3.881 20 0 JHADRO CN(C(=O)c1ccncc1)c1ccc(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC001311403215 1069362745 /nfs/dbraw/zinc/36/27/45/1069362745.db2.gz IPYFRBQEKHXVKK-UHFFFAOYSA-N 1 0 457.578 3.606 20 0 JHADRO CN1CCO[C@H]([C@@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001311405061 1069363777 /nfs/dbraw/zinc/36/37/77/1069363777.db2.gz IBHWHUKEOOMNOD-SGNDLWITSA-N 1 0 457.018 3.848 20 0 JHADRO CCCCCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001306654240 1069365851 /nfs/dbraw/zinc/36/58/51/1069365851.db2.gz HMXPESLSWJXCPI-RCZVLFRGSA-N 1 0 466.674 3.632 20 0 JHADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCN(CCOc2ccccc2Cl)CC1 ZINC001311406013 1069364403 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BYXUGOAIEQTDQL-PNTFMKQHSA-N 1 0 452.599 3.789 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)NCc1cc(C2CC2)no1 ZINC001311424759 1069373527 /nfs/dbraw/zinc/37/35/27/1069373527.db2.gz SDQWWRCMACANLW-UHFFFAOYSA-N 1 0 451.493 3.582 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NCc1c(Cl)cccc1OC(F)F ZINC001311422913 1069370953 /nfs/dbraw/zinc/37/09/53/1069370953.db2.gz LOOPDHRVJPKUAI-UHFFFAOYSA-N 1 0 452.933 3.953 20 0 JHADRO CCCCCn1cc(Cn2c(-c3cccn3C)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c(C)n1 ZINC001306657419 1069371103 /nfs/dbraw/zinc/37/11/03/1069371103.db2.gz ZQTMJSAURCUMMU-PMACEKPBSA-N 1 0 452.651 3.946 20 0 JHADRO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)NC[C@H](c1ccccc1)N1CCOCC1 ZINC001311438982 1069379841 /nfs/dbraw/zinc/37/98/41/1069379841.db2.gz VXQWNIFLBWBJDE-AREMUKBSSA-N 1 0 450.627 3.661 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)C1 ZINC001311433110 1069377712 /nfs/dbraw/zinc/37/77/12/1069377712.db2.gz LEKXOCYUEXANOO-PRTQVNTJSA-N 1 0 480.694 3.848 20 0 JHADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCCCSc2ccccc2Br)C1 ZINC001311442903 1069382294 /nfs/dbraw/zinc/38/22/94/1069382294.db2.gz WBPXPMDFPPQGFV-QGZVFWFLSA-N 1 0 458.466 3.977 20 0 JHADRO COc1cc(OC)cc(Oc2ccc(CNC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)cc2)c1 ZINC001311443192 1069382344 /nfs/dbraw/zinc/38/23/44/1069382344.db2.gz YCQQDPSKVSWWCD-DEOSSOPVSA-N 1 0 457.571 3.652 20 0 JHADRO O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)NCC[C@@H]1CCCC[C@@H]1O ZINC001311452022 1069384557 /nfs/dbraw/zinc/38/45/57/1069384557.db2.gz NBVRJNUGVJJKHW-UGKGYDQZSA-N 1 0 470.580 3.848 20 0 JHADRO CCCCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001306663708 1069386819 /nfs/dbraw/zinc/38/68/19/1069386819.db2.gz KQZXSTQSWWJYGK-VWLOTQADSA-N 1 0 463.667 3.590 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001306664444 1069388837 /nfs/dbraw/zinc/38/88/37/1069388837.db2.gz PTBNHKVIZFXJIC-OAQYLSRUSA-N 1 0 455.651 3.623 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001306664839 1069390526 /nfs/dbraw/zinc/39/05/26/1069390526.db2.gz KJHPZAHDZANSBX-XZOQPEGZSA-N 1 0 474.694 3.521 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001306665233 1069391426 /nfs/dbraw/zinc/39/14/26/1069391426.db2.gz OZLCBQXSZMNPCP-JTHBVZDNSA-N 1 0 474.694 3.869 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311468979 1069392464 /nfs/dbraw/zinc/39/24/64/1069392464.db2.gz GGRWLNZURNCENP-ZEQRLZLVSA-N 1 0 452.599 3.521 20 0 JHADRO CCCCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001306669564 1069396805 /nfs/dbraw/zinc/39/68/05/1069396805.db2.gz KTAAFMWKUZTQFL-LJQANCHMSA-N 1 0 456.816 3.664 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC001311492921 1069403615 /nfs/dbraw/zinc/40/36/15/1069403615.db2.gz GUVRAIUQBPGFQH-MRXNPFEDSA-N 1 0 450.509 3.781 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001306678451 1069403056 /nfs/dbraw/zinc/40/30/56/1069403056.db2.gz BTUAJPBUCXVRKT-LJQANCHMSA-N 1 0 495.594 3.782 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2COCCO2)CC1 ZINC001306678442 1069403131 /nfs/dbraw/zinc/40/31/31/1069403131.db2.gz BNJMXJHBZAKADY-FQEVSTJZSA-N 1 0 477.600 3.511 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NCCc3cc(C(F)(F)F)ccn3)cc2)C[C@H](C)O1 ZINC001311493445 1069404246 /nfs/dbraw/zinc/40/42/46/1069404246.db2.gz ASGMJMQMQCOADQ-CALCHBBNSA-N 1 0 450.505 3.752 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001306679395 1069405140 /nfs/dbraw/zinc/40/51/40/1069405140.db2.gz JFRVCDCEENSGMY-QUCCMNQESA-N 1 0 483.642 3.685 20 0 JHADRO CN(C)C(=O)C[C@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c2ccc(Cl)cc21 ZINC001311495759 1069405684 /nfs/dbraw/zinc/40/56/84/1069405684.db2.gz JWNBRMVGJLHFBI-SFHVURJKSA-N 1 0 458.990 3.572 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCC2)CC1 ZINC001306679872 1069405856 /nfs/dbraw/zinc/40/58/56/1069405856.db2.gz LAINQBSZJBSSGY-UHFFFAOYSA-N 1 0 479.467 3.899 20 0 JHADRO CCc1cc(N2CCC(NC(=O)NCc3ccccc3C[N@@H+]3CCCC[C@H]3C)CC2)ncn1 ZINC001311496446 1069406277 /nfs/dbraw/zinc/40/62/77/1069406277.db2.gz NHAXWJFKTXKACR-HXUWFJFHSA-N 1 0 450.631 3.882 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@H](C)SC)CC1 ZINC001306680177 1069406508 /nfs/dbraw/zinc/40/65/08/1069406508.db2.gz UZXAHSUSBLRGPC-IBGZPJMESA-N 1 0 497.713 3.892 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nc(C)c(C)s2)CC1 ZINC001306680394 1069407039 /nfs/dbraw/zinc/40/70/39/1069407039.db2.gz NUVOEFFVOKUXMM-UHFFFAOYSA-N 1 0 487.718 3.778 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(F)c2F)CC1 ZINC001306680348 1069407083 /nfs/dbraw/zinc/40/70/83/1069407083.db2.gz WSGBDSUEKLZQJL-OAQYLSRUSA-N 1 0 474.600 3.698 20 0 JHADRO COc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)C2)cc1 ZINC001311499053 1069408351 /nfs/dbraw/zinc/40/83/51/1069408351.db2.gz UFUYEUAYUOJMRA-YADARESESA-N 1 0 450.583 3.920 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001306680865 1069407811 /nfs/dbraw/zinc/40/78/11/1069407811.db2.gz PRXJGVMHXZALPJ-HSZRJFAPSA-N 1 0 487.714 3.891 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001306681601 1069411095 /nfs/dbraw/zinc/41/10/95/1069411095.db2.gz PCCOHNAMVZQEGA-LJQANCHMSA-N 1 0 459.038 3.825 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001306681857 1069411804 /nfs/dbraw/zinc/41/18/04/1069411804.db2.gz VTPCZUPTBOFAMW-MHECFPHRSA-N 1 0 479.572 3.663 20 0 JHADRO C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccccc3C[NH+]3CCCCCC3)cn2)CCO1 ZINC001311504176 1069412326 /nfs/dbraw/zinc/41/23/26/1069412326.db2.gz PYOGTWRTEFZSGE-OAQYLSRUSA-N 1 0 451.615 3.682 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001306682183 1069412452 /nfs/dbraw/zinc/41/24/52/1069412452.db2.gz BZLRJXVSWFEEND-GOSISDBHSA-N 1 0 459.038 3.825 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001306680812 1069408570 /nfs/dbraw/zinc/40/85/70/1069408570.db2.gz GNBLGJOHUSTEOL-SFHVURJKSA-N 1 0 491.036 3.882 20 0 JHADRO COC[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1cccc(Br)c1 ZINC001311500780 1069409667 /nfs/dbraw/zinc/40/96/67/1069409667.db2.gz ZNQFZEGPNCEBGO-HXUWFJFHSA-N 1 0 450.377 3.576 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001306683370 1069416493 /nfs/dbraw/zinc/41/64/93/1069416493.db2.gz WWWLIYHRRIHDBA-UHFFFAOYSA-N 1 0 455.582 3.829 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001306683302 1069416503 /nfs/dbraw/zinc/41/65/03/1069416503.db2.gz WNZGTOWNNOFRJJ-SFHVURJKSA-N 1 0 491.478 3.805 20 0 JHADRO C[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)Cc3ccc(Cl)cc3Cl)cn2)CC1 ZINC001311515280 1069418289 /nfs/dbraw/zinc/41/82/89/1069418289.db2.gz NSEUDVYPXVNUCX-UHFFFAOYSA-N 1 0 450.414 3.961 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001306682270 1069413281 /nfs/dbraw/zinc/41/32/81/1069413281.db2.gz FMJPRAWKJZDMPL-LJQANCHMSA-N 1 0 459.982 3.600 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001306682643 1069413973 /nfs/dbraw/zinc/41/39/73/1069413973.db2.gz KLYUMUMKQMAHTN-AREMUKBSSA-N 1 0 452.647 3.691 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001306683620 1069418064 /nfs/dbraw/zinc/41/80/64/1069418064.db2.gz YIXMXXCAGBETNJ-UHFFFAOYSA-N 1 0 482.032 3.688 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001306686374 1069422593 /nfs/dbraw/zinc/42/25/93/1069422593.db2.gz CRLWMJFBCBONBS-UHFFFAOYSA-N 1 0 461.054 3.559 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001306685458 1069420866 /nfs/dbraw/zinc/42/08/66/1069420866.db2.gz DZAXUSJOOBHISX-HBMCJLEFSA-N 1 0 478.682 3.943 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1CC ZINC001306685580 1069421213 /nfs/dbraw/zinc/42/12/13/1069421213.db2.gz GYSHOOFJAGCCJU-VQTJNVASSA-N 1 0 464.655 3.697 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001306686199 1069422466 /nfs/dbraw/zinc/42/24/66/1069422466.db2.gz BYLPYERBLDVNNR-UHFFFAOYSA-N 1 0 450.587 3.561 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001306689662 1069427208 /nfs/dbraw/zinc/42/72/08/1069427208.db2.gz XSIRTDRPRARFQZ-XMMPIXPASA-N 1 0 464.662 3.959 20 0 JHADRO CCCCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001306690865 1069428387 /nfs/dbraw/zinc/42/83/87/1069428387.db2.gz KDSDICQSFVWPSC-NRFANRHFSA-N 1 0 450.425 3.709 20 0 JHADRO CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001306701345 1069436710 /nfs/dbraw/zinc/43/67/10/1069436710.db2.gz WAMJUGRGUUFULX-INIZCTEOSA-N 1 0 465.440 3.536 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@@H]1C(F)(F)F ZINC001311566211 1069440279 /nfs/dbraw/zinc/44/02/79/1069440279.db2.gz KXXVUDLJBRVPBE-CVEARBPZSA-N 1 0 450.546 3.596 20 0 JHADRO COc1cccc([C@H](CNC(=O)N2CCc3ccc(Br)c(F)c3C2)[NH+](C)C)c1 ZINC001311568156 1069441428 /nfs/dbraw/zinc/44/14/28/1069441428.db2.gz CPFOESRZVKUGSK-IBGZPJMESA-N 1 0 450.352 3.967 20 0 JHADRO COc1cccc([C@@H](CNC(=O)N2CCc3ccc(Br)c(F)c3C2)[NH+](C)C)c1 ZINC001311568157 1069441449 /nfs/dbraw/zinc/44/14/49/1069441449.db2.gz CPFOESRZVKUGSK-LJQANCHMSA-N 1 0 450.352 3.967 20 0 JHADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001311574051 1069445227 /nfs/dbraw/zinc/44/52/27/1069445227.db2.gz ARRJECXTEBGBPW-MSOLQXFVSA-N 1 0 450.967 3.782 20 0 JHADRO COc1ccccc1[C@H](CNC(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)[NH+]1CCCC1 ZINC001311575439 1069445801 /nfs/dbraw/zinc/44/58/01/1069445801.db2.gz WRHRQCFALCINQK-FUDKSRODSA-N 1 0 451.567 3.653 20 0 JHADRO COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001311572367 1069443907 /nfs/dbraw/zinc/44/39/07/1069443907.db2.gz PBZVMKODMPYNQW-IBGZPJMESA-N 1 0 450.942 3.727 20 0 JHADRO CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(C)(COC)CC1 ZINC001306713870 1069444996 /nfs/dbraw/zinc/44/49/96/1069444996.db2.gz OXJZGPXVZFETMU-UHFFFAOYSA-N 1 0 454.663 3.696 20 0 JHADRO O=C(/C=C\c1ccccc1)NCCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001311580260 1069448144 /nfs/dbraw/zinc/44/81/44/1069448144.db2.gz KIAZJTVGCSGBHF-OILJVOJPSA-N 1 0 455.002 3.996 20 0 JHADRO O=C(NCCCn1cc(Br)cn1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001311581720 1069448826 /nfs/dbraw/zinc/44/88/26/1069448826.db2.gz SRXLXDHXFJKJAP-SFHVURJKSA-N 1 0 454.800 3.825 20 0 JHADRO CCCCn1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c(C)n1 ZINC001306718916 1069452253 /nfs/dbraw/zinc/45/22/53/1069452253.db2.gz JHYVRANPSGWPIG-NRFANRHFSA-N 1 0 457.667 3.836 20 0 JHADRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC001311595129 1069456897 /nfs/dbraw/zinc/45/68/97/1069456897.db2.gz NVCBFYOZAKQFGH-IRXDYDNUSA-N 1 0 458.632 3.549 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306721636 1069458511 /nfs/dbraw/zinc/45/85/11/1069458511.db2.gz CUGCUPXFSARCQB-FPOVZHCZSA-N 1 0 485.629 3.616 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCNC(=O)CC1 ZINC001306722441 1069460367 /nfs/dbraw/zinc/46/03/67/1069460367.db2.gz LJRFJECPXUNBAQ-JOCHJYFZSA-N 1 0 498.672 3.722 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001306722414 1069460557 /nfs/dbraw/zinc/46/05/57/1069460557.db2.gz KYDZHKCYOAGISK-WMZOPIPTSA-N 1 0 494.482 3.509 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306722824 1069461796 /nfs/dbraw/zinc/46/17/96/1069461796.db2.gz LMRBKDZECLTTIP-OALUTQOASA-N 1 0 459.038 3.955 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001306723148 1069462345 /nfs/dbraw/zinc/46/23/45/1069462345.db2.gz QHTUBOYROAZLTE-CPJSRVTESA-N 1 0 469.634 3.585 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C)C1 ZINC001306723278 1069462922 /nfs/dbraw/zinc/46/29/22/1069462922.db2.gz QORPSJWAUQEADP-RTBURBONSA-N 1 0 457.648 3.522 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001306723243 1069462947 /nfs/dbraw/zinc/46/29/47/1069462947.db2.gz PPURKDMMILTIDG-LEWJYISDSA-N 1 0 455.651 3.669 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001306723346 1069463653 /nfs/dbraw/zinc/46/36/53/1069463653.db2.gz RSZJAGRXEFACGB-RLWLMLJZSA-N 1 0 483.661 3.975 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001306724038 1069464739 /nfs/dbraw/zinc/46/47/39/1069464739.db2.gz XKBQIQCEZYCSKT-QGZVFWFLSA-N 1 0 454.541 3.821 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 ZINC001306726098 1069467632 /nfs/dbraw/zinc/46/76/32/1069467632.db2.gz KCZIJZDCMJTAFE-YSFYHYPLSA-N 1 0 497.775 3.945 20 0 JHADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCN(c3cccc(F)c3)CC2)cc1OC ZINC001311623314 1069473325 /nfs/dbraw/zinc/47/33/25/1069473325.db2.gz AHILLLMHRINJEK-UHFFFAOYSA-N 1 0 458.578 3.587 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1C(C)(C)C ZINC001306729613 1069478664 /nfs/dbraw/zinc/47/86/64/1069478664.db2.gz LMCBSOBXJGDCKN-HXUWFJFHSA-N 1 0 497.688 3.772 20 0 JHADRO COc1cc(OC)c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(OC)c1 ZINC001311630805 1069478927 /nfs/dbraw/zinc/47/89/27/1069478927.db2.gz UCSRBPOKJBKPEZ-REWPJTCUSA-N 1 0 453.583 3.909 20 0 JHADRO C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001311632642 1069479871 /nfs/dbraw/zinc/47/98/71/1069479871.db2.gz JZYDIMVEMMZILR-GMAHTHKFSA-N 1 0 458.647 3.598 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001306730140 1069480637 /nfs/dbraw/zinc/48/06/37/1069480637.db2.gz MXNFEGBRNAUTPN-ISKFKSNPSA-N 1 0 488.721 3.944 20 0 JHADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC001311634685 1069481402 /nfs/dbraw/zinc/48/14/02/1069481402.db2.gz JOSIJGWCHUZKIU-IBGZPJMESA-N 1 0 452.665 3.542 20 0 JHADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 ZINC001311637975 1069483514 /nfs/dbraw/zinc/48/35/14/1069483514.db2.gz VDNSEWVKFFUQFR-CLJLJLNGSA-N 1 0 450.627 3.847 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(F)cc1F ZINC001306731081 1069484466 /nfs/dbraw/zinc/48/44/66/1069484466.db2.gz OQRUQXYNSMSVSR-NRFANRHFSA-N 1 0 474.600 3.970 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001306732645 1069490234 /nfs/dbraw/zinc/49/02/34/1069490234.db2.gz WFZKSUNNISIYDW-JOCHJYFZSA-N 1 0 459.683 3.517 20 0 JHADRO C[N@H+](Cc1ccccc1CNC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001311643491 1069486878 /nfs/dbraw/zinc/48/68/78/1069486878.db2.gz CTINZWJPMNONRH-WOJBJXKFSA-N 1 0 475.577 3.568 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306733561 1069493243 /nfs/dbraw/zinc/49/32/43/1069493243.db2.gz KLWKNGBIXFPWTC-KMDXXIMOSA-N 1 0 495.716 3.906 20 0 JHADRO C[C@H]1CN(Cc2cccc(CNC(=O)N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664097 1069493511 /nfs/dbraw/zinc/49/35/11/1069493511.db2.gz IAECMVVCDNITDB-GOTSBHOMSA-N 1 0 450.627 3.713 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001306735120 1069499020 /nfs/dbraw/zinc/49/90/20/1069499020.db2.gz WLEFESFYQVJWHW-WBADGQHESA-N 1 0 474.694 3.568 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccn3C)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001306735394 1069499890 /nfs/dbraw/zinc/49/98/90/1069499890.db2.gz QSGTWSZZHZAWTE-RJGXRXQPSA-N 1 0 483.705 3.927 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)CC)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306737424 1069506185 /nfs/dbraw/zinc/50/61/85/1069506185.db2.gz MGMFBAZQLBSOGO-WOJBJXKFSA-N 1 0 464.724 3.752 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001306738324 1069509191 /nfs/dbraw/zinc/50/91/91/1069509191.db2.gz RYAUCNFQTXEGDY-RBBKRZOGSA-N 1 0 468.646 3.571 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001306739277 1069511532 /nfs/dbraw/zinc/51/15/32/1069511532.db2.gz BRRKQMCBLJGTOX-NHCUHLMSSA-N 1 0 468.646 3.571 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCCCCC2)C1 ZINC001306740403 1069513791 /nfs/dbraw/zinc/51/37/91/1069513791.db2.gz MNOMQSUOVBEZTF-QFIPXVFZSA-N 1 0 467.662 3.657 20 0 JHADRO CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](C)COc3ccccc3C(F)(F)F)CC2)CC1 ZINC001311712527 1069514610 /nfs/dbraw/zinc/51/46/10/1069514610.db2.gz LSDOQLWPORCSHF-SFHVURJKSA-N 1 0 456.553 3.673 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001306741074 1069516007 /nfs/dbraw/zinc/51/60/07/1069516007.db2.gz ZAVQDTIZGHSMBA-PMACEKPBSA-N 1 0 456.610 3.701 20 0 JHADRO COc1cc(OC)c(C[C@H](C)NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC001311720530 1069518809 /nfs/dbraw/zinc/51/88/09/1069518809.db2.gz VOTIUZPMCJKBJQ-SFHVURJKSA-N 1 0 455.599 3.780 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001306743456 1069522270 /nfs/dbraw/zinc/52/22/70/1069522270.db2.gz JEDFECRWGFUISS-RPWUZVMVSA-N 1 0 481.689 3.517 20 0 JHADRO O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001311727890 1069523901 /nfs/dbraw/zinc/52/39/01/1069523901.db2.gz OVGNAUWSIFZGJK-UEVCKROQSA-N 1 0 459.537 3.848 20 0 JHADRO C[C@@H](CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)[NH+]1CCC(C)CC1 ZINC001311742464 1069529583 /nfs/dbraw/zinc/52/95/83/1069529583.db2.gz MHGFIBLDKREDIG-GJZGRUSLSA-N 1 0 450.381 3.980 20 0 JHADRO COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC001311737874 1069528449 /nfs/dbraw/zinc/52/84/49/1069528449.db2.gz GWWQVCSNXFQYMJ-FQEVSTJZSA-N 1 0 452.590 3.571 20 0 JHADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2)CC1 ZINC001311742556 1069529638 /nfs/dbraw/zinc/52/96/38/1069529638.db2.gz VHUADDGTXFXRRW-UHFFFAOYSA-N 1 0 451.055 3.743 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001306747206 1069533874 /nfs/dbraw/zinc/53/38/74/1069533874.db2.gz VINCLKOLEBLASJ-VWNXMTODSA-N 1 0 466.674 3.794 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001306747218 1069533899 /nfs/dbraw/zinc/53/38/99/1069533899.db2.gz ZHBFBEULSKGOFY-QHCPKHFHSA-N 1 0 474.694 3.774 20 0 JHADRO COc1ccc(Cl)cc1NC(=O)CCNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001311747034 1069531577 /nfs/dbraw/zinc/53/15/77/1069531577.db2.gz KSMHFKQXZRDQEP-LJQANCHMSA-N 1 0 458.990 3.889 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CC[NH+]2CCCCC2)cc1OC ZINC001306748740 1069539291 /nfs/dbraw/zinc/53/92/91/1069539291.db2.gz LMBYLSDREYFSTB-HXUWFJFHSA-N 1 0 457.619 3.844 20 0 JHADRO C[C@H](CNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[N@@H+]1CCc2ccccc2C1 ZINC001311791448 1069546964 /nfs/dbraw/zinc/54/69/64/1069546964.db2.gz JYWVVHIFVNSLLI-YLJYHZDGSA-N 1 0 457.416 3.774 20 0 JHADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001311786505 1069545390 /nfs/dbraw/zinc/54/53/90/1069545390.db2.gz ZMVKXETWMBDYSJ-DQLWACAZSA-N 1 0 458.553 3.732 20 0 JHADRO CCCCOCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001306751230 1069545921 /nfs/dbraw/zinc/54/59/21/1069545921.db2.gz UPFRRVQFYOLESN-QFIPXVFZSA-N 1 0 489.064 3.548 20 0 JHADRO COc1cccc2c1CCC[C@H](NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)C2 ZINC001311825126 1069562864 /nfs/dbraw/zinc/56/28/64/1069562864.db2.gz ZIVKWRQNTRJRTF-NQIIRXRSSA-N 1 0 454.590 3.894 20 0 JHADRO CCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001306778500 1069573833 /nfs/dbraw/zinc/57/38/33/1069573833.db2.gz QSEBSTGXXBHTHX-PMACEKPBSA-N 1 0 464.655 3.697 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC)c2ccccc2)C1 ZINC001306781192 1069579032 /nfs/dbraw/zinc/57/90/32/1069579032.db2.gz HSDLPFVFOCXURU-QNWVGRARSA-N 1 0 473.687 3.542 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@](C)(O)CC)C1 ZINC001306779305 1069575550 /nfs/dbraw/zinc/57/55/50/1069575550.db2.gz FOOPOUBDRMXYCM-KBMIEXCESA-N 1 0 451.619 3.664 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)Nc2ccccc2)C1 ZINC001306780604 1069577959 /nfs/dbraw/zinc/57/79/59/1069577959.db2.gz DEJPHUHUJVAEPT-RBBKRZOGSA-N 1 0 454.619 3.717 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001306780879 1069578295 /nfs/dbraw/zinc/57/82/95/1069578295.db2.gz GBWWUHCBOHKGHV-RTWAWAEBSA-N 1 0 478.682 3.597 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCSC2)C1 ZINC001306783404 1069582168 /nfs/dbraw/zinc/58/21/68/1069582168.db2.gz HDPSOEDDUYDNDZ-HTAPYJJXSA-N 1 0 494.503 3.744 20 0 JHADRO CCC[C@H](NC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCc2sccc2C1 ZINC001311856521 1069582240 /nfs/dbraw/zinc/58/22/40/1069582240.db2.gz YINSDNHSSXYJLM-SQJMNOBHSA-N 1 0 454.640 3.765 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001306782840 1069581767 /nfs/dbraw/zinc/58/17/67/1069581767.db2.gz GHCSBXJPFFOGHI-FQEVSTJZSA-N 1 0 479.595 3.783 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCOC2)C1 ZINC001306783575 1069581810 /nfs/dbraw/zinc/58/18/10/1069581810.db2.gz LOIOTAVPQVJUSG-FGZHOGPDSA-N 1 0 468.646 3.742 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2OCC[C@H]2C)C1 ZINC001306783977 1069584011 /nfs/dbraw/zinc/58/40/11/1069584011.db2.gz JFAPVWIFQDYXCH-SELNLUPBSA-N 1 0 457.619 3.555 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2Cc2ncnn2C(C)(C)C)C1 ZINC001306786403 1069588666 /nfs/dbraw/zinc/58/86/66/1069588666.db2.gz UWZWALCRKHRINQ-LJQANCHMSA-N 1 0 466.634 3.517 20 0 JHADRO Cc1ccc(C[C@@H](NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c2ccccn2)cc1 ZINC001311864511 1069587322 /nfs/dbraw/zinc/58/73/22/1069587322.db2.gz PGZXCWFFFNKRAH-KAYWLYCHSA-N 1 0 457.622 3.962 20 0 JHADRO CCc1csc(CC2CCN(C(=O)N[C@H](CN3CC[NH+](C)CC3)c3ccccc3)CC2)n1 ZINC001311865353 1069587919 /nfs/dbraw/zinc/58/79/19/1069587919.db2.gz SRPOBLOOBXSLEE-HSZRJFAPSA-N 1 0 455.672 3.658 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2nccc(C(F)F)n2)C1 ZINC001306786044 1069587852 /nfs/dbraw/zinc/58/78/52/1069587852.db2.gz XPWQJBGFANUATO-QGZVFWFLSA-N 1 0 456.545 3.593 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(C)(C)C(=O)NC)C1 ZINC001306786566 1069589324 /nfs/dbraw/zinc/58/93/24/1069589324.db2.gz WIEHSVRWEBIQCU-GOSISDBHSA-N 1 0 452.603 3.632 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCCCCC2)C1 ZINC001306787421 1069591716 /nfs/dbraw/zinc/59/17/16/1069591716.db2.gz CUSPKACKHCXRNV-HSZRJFAPSA-N 1 0 484.664 3.969 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)c2ccccc2)C1 ZINC001306787542 1069591830 /nfs/dbraw/zinc/59/18/30/1069591830.db2.gz FYXBHHQAMQGRCO-HXUWFJFHSA-N 1 0 461.676 3.509 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)C1 ZINC001306788165 1069593081 /nfs/dbraw/zinc/59/30/81/1069593081.db2.gz MAGIULQPVKSPDD-IBGZPJMESA-N 1 0 471.637 3.866 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)C1 ZINC001306789293 1069594896 /nfs/dbraw/zinc/59/48/96/1069594896.db2.gz UYZPZHBLPLATAH-FQEVSTJZSA-N 1 0 472.653 3.912 20 0 JHADRO 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CCCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC[NH+]1CCCCC1 ZINC001306794613 1069600920 /nfs/dbraw/zinc/60/09/20/1069600920.db2.gz APFFZXCECWXLOS-UHFFFAOYSA-N 1 0 461.680 3.659 20 0 JHADRO O=C(NCCCO[C@H]1CCCc2ccccc21)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001311895603 1069601868 /nfs/dbraw/zinc/60/18/68/1069601868.db2.gz QZHMPBSECQSPOS-SANMLTNESA-N 1 0 451.611 3.927 20 0 JHADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001311902170 1069606062 /nfs/dbraw/zinc/60/60/62/1069606062.db2.gz MNPYGXJPJZRBGG-UNMCSNQZSA-N 1 0 457.022 3.668 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001306801785 1069606894 /nfs/dbraw/zinc/60/68/94/1069606894.db2.gz AQTMPRMZRGAXKC-GOSISDBHSA-N 1 0 479.467 3.899 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001306802970 1069609957 /nfs/dbraw/zinc/60/99/57/1069609957.db2.gz SSMZIIKLEGVUHW-UHFFFAOYSA-N 1 0 469.584 3.601 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001306802700 1069609969 /nfs/dbraw/zinc/60/99/69/1069609969.db2.gz ORBSEEXGQJZEJI-WZONZLPQSA-N 1 0 492.462 3.824 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001306802939 1069610808 /nfs/dbraw/zinc/61/08/08/1069610808.db2.gz RZFAGZFRWLXEET-UHFFFAOYSA-N 1 0 493.372 3.661 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001306803059 1069610949 /nfs/dbraw/zinc/61/09/49/1069610949.db2.gz VXHNGJLUMGUBOU-UHFFFAOYSA-N 1 0 470.637 3.579 20 0 JHADRO CCO[C@@]1(c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCOC1 ZINC001314150721 1069611286 /nfs/dbraw/zinc/61/12/86/1069611286.db2.gz HSEALCRZJVVJRF-MAUQACMESA-N 1 0 471.646 3.673 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC001306803142 1069611654 /nfs/dbraw/zinc/61/16/54/1069611654.db2.gz WCIHEXRUYXAHFH-NLFFAJNJSA-N 1 0 459.610 3.514 20 0 JHADRO COc1ccccc1SC[C@H](C)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001311917586 1069612181 /nfs/dbraw/zinc/61/21/81/1069612181.db2.gz JYCPZDALPNLCPB-FCEUIQTBSA-N 1 0 457.640 3.606 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001306803353 1069612187 /nfs/dbraw/zinc/61/21/87/1069612187.db2.gz YRVYKDFCMSOOEF-FQEVSTJZSA-N 1 0 476.597 3.913 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306804221 1069613005 /nfs/dbraw/zinc/61/30/05/1069613005.db2.gz KSZSDSXQZGNWEV-ZCNNSNEGSA-N 1 0 464.655 3.601 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H]2CCOC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001306804382 1069613686 /nfs/dbraw/zinc/61/36/86/1069613686.db2.gz OBSWOSPXYBCRRV-NRFANRHFSA-N 1 0 478.682 3.597 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC001306805062 1069615039 /nfs/dbraw/zinc/61/50/39/1069615039.db2.gz UYXZJVSOTNTEKH-RTBURBONSA-N 1 0 476.691 3.846 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001306805130 1069615810 /nfs/dbraw/zinc/61/58/10/1069615810.db2.gz PXGZGVWXGKFVAD-UHFFFAOYSA-N 1 0 471.650 3.685 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(Br)o1 ZINC001306805539 1069616452 /nfs/dbraw/zinc/61/64/52/1069616452.db2.gz VVYUBQBYTZICQQ-UHFFFAOYSA-N 1 0 493.406 3.730 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccsc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001306806218 1069617820 /nfs/dbraw/zinc/61/78/20/1069617820.db2.gz IYHRKPFFQQAECH-UHFFFAOYSA-N 1 0 458.598 3.737 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cccnc2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001306806085 1069617852 /nfs/dbraw/zinc/61/78/52/1069617852.db2.gz PNCJHEOAKGWUTK-UHFFFAOYSA-N 1 0 455.557 3.677 20 0 JHADRO Cc1c(Cl)ccc2c1CN(C(=O)NCc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC001311929012 1069617907 /nfs/dbraw/zinc/61/79/07/1069617907.db2.gz WKQPANQBPYNKKK-OAQYLSRUSA-N 1 0 455.002 3.614 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001306807088 1069620729 /nfs/dbraw/zinc/62/07/29/1069620729.db2.gz NZONMGCVOIHNPM-QFIPXVFZSA-N 1 0 466.634 3.735 20 0 JHADRO CCC[N@H+](CC)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCn2nc(C)nc2C1 ZINC001306807193 1069621707 /nfs/dbraw/zinc/62/17/07/1069621707.db2.gz SKWDBUVKTCFXOH-UHFFFAOYSA-N 1 0 480.661 3.807 20 0 JHADRO CCCN(Cc1ccc(F)cc1C)c1nnc([C@H]2CCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001306808301 1069624318 /nfs/dbraw/zinc/62/43/18/1069624318.db2.gz HZYRDSYNWNFPBO-NRFANRHFSA-N 1 0 459.610 3.757 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CC)C1 ZINC001306808443 1069624832 /nfs/dbraw/zinc/62/48/32/1069624832.db2.gz LWMQNPGJBARDFZ-UXHICEINSA-N 1 0 464.655 3.697 20 0 JHADRO CCCN(Cc1ccc(F)cc1C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001306808557 1069624951 /nfs/dbraw/zinc/62/49/51/1069624951.db2.gz MMYRXEUDLILERP-FGZHOGPDSA-N 1 0 456.610 3.968 20 0 JHADRO CCOc1c(OC)cc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC001314157030 1069630331 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BYGANPKLAHYSHJ-PELRDEGISA-N 1 0 452.437 3.696 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(CO)CC3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001314194916 1069766623 /nfs/dbraw/zinc/76/66/23/1069766623.db2.gz DJEJRWNCEJWEMJ-NRFANRHFSA-N 1 0 471.646 3.757 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H](C)c2nccs2)C1 ZINC001307040469 1069766894 /nfs/dbraw/zinc/76/68/94/1069766894.db2.gz BHGMWJWYLWDUHC-PXNSSMCTSA-N 1 0 456.664 3.568 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](NC(=O)CC)C2)CC1 ZINC001307040496 1069766971 /nfs/dbraw/zinc/76/69/71/1069766971.db2.gz BSOGZZZHNAHTFS-HSZRJFAPSA-N 1 0 482.673 3.783 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(c4ccnn4C)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001314195034 1069767344 /nfs/dbraw/zinc/76/73/44/1069767344.db2.gz VDDOGJYEZOWXRT-VQTJNVASSA-N 1 0 481.645 3.884 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)C1 ZINC001307040676 1069767587 /nfs/dbraw/zinc/76/75/87/1069767587.db2.gz CVSSMFVKZJZUBV-GOACPNKLSA-N 1 0 497.713 3.806 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)C1 ZINC001307041459 1069769366 /nfs/dbraw/zinc/76/93/66/1069769366.db2.gz JKHZSQWFDZHKIX-SVFBPWRDSA-N 1 0 481.563 3.788 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001307041514 1069769394 /nfs/dbraw/zinc/76/93/94/1069769394.db2.gz ULXBEAGLKOJKBQ-QHCPKHFHSA-N 1 0 497.688 3.832 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001307041718 1069770086 /nfs/dbraw/zinc/77/00/86/1069770086.db2.gz HPOHYOQZSYQXKI-QUCCMNQESA-N 1 0 472.600 3.715 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001314195662 1069770988 /nfs/dbraw/zinc/77/09/88/1069770988.db2.gz DXIRODGYZHEHTF-RTWAWAEBSA-N 1 0 498.672 3.654 20 0 JHADRO CCOc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC001314196763 1069776294 /nfs/dbraw/zinc/77/62/94/1069776294.db2.gz BSLQPTVPYUZPBX-UHFFFAOYSA-N 1 0 482.673 3.758 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)C1 ZINC001307044018 1069776785 /nfs/dbraw/zinc/77/67/85/1069776785.db2.gz OBMMMKVWQMTDIG-FGZHOGPDSA-N 1 0 490.693 3.597 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccccc3CC)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001307044091 1069777223 /nfs/dbraw/zinc/77/72/23/1069777223.db2.gz CSVVFPIMAKBWPT-DEOSSOPVSA-N 1 0 482.673 3.646 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)C1 ZINC001307044430 1069777299 /nfs/dbraw/zinc/77/72/99/1069777299.db2.gz FLZVTRHJOXPIAX-NRFANRHFSA-N 1 0 478.682 3.630 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001307044931 1069779781 /nfs/dbraw/zinc/77/97/81/1069779781.db2.gz ASUNKTNUZLYZAR-UZUQRXQVSA-N 1 0 492.462 3.558 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001307044656 1069778975 /nfs/dbraw/zinc/77/89/75/1069778975.db2.gz HXZLKYMUVLUCHG-RTWAWAEBSA-N 1 0 478.682 3.630 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCOC[C@H]2C)C1 ZINC001307044615 1069779057 /nfs/dbraw/zinc/77/90/57/1069779057.db2.gz HADUUVPIECHKRF-MSOLQXFVSA-N 1 0 478.435 3.577 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@H](C(=O)OC)C3)n2C[C@H]2CCC[N@@H+]2CC)cc1 ZINC001314198358 1069782757 /nfs/dbraw/zinc/78/27/57/1069782757.db2.gz OMZXBIJITOAPSP-QHAWAJNXSA-N 1 0 485.629 3.691 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(CO)CC2)CC1 ZINC001307045651 1069783322 /nfs/dbraw/zinc/78/33/22/1069783322.db2.gz NFCGKAQUGVDPBY-UHFFFAOYSA-N 1 0 462.038 3.841 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001307046057 1069784004 /nfs/dbraw/zinc/78/40/04/1069784004.db2.gz QFHMAKDMWIAAFK-UGKGYDQZSA-N 1 0 471.646 3.824 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C)o3)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001307044940 1069780338 /nfs/dbraw/zinc/78/03/38/1069780338.db2.gz AYXNIYMFQXQZFE-UHFFFAOYSA-N 1 0 481.588 3.988 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N(C)Cc3cc(F)cc(F)c3)nnc2[C@@]2(OCC)CCOC2)CC1 ZINC001307045076 1069780354 /nfs/dbraw/zinc/78/03/54/1069780354.db2.gz CSUPBVAFRQZMQV-RUZDIDTESA-N 1 0 477.600 3.967 20 0 JHADRO CN(C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001312205743 1069780828 /nfs/dbraw/zinc/78/08/28/1069780828.db2.gz MXGHIRWUGFZPDV-ILBGXUMGSA-N 1 0 455.574 3.844 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCCO2)CC1 ZINC001307045273 1069781613 /nfs/dbraw/zinc/78/16/13/1069781613.db2.gz GIJZCYCCLSDFQU-NRFANRHFSA-N 1 0 457.619 3.842 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Nc3cnn(C)c3)nnc2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001307046534 1069785207 /nfs/dbraw/zinc/78/52/07/1069785207.db2.gz LWWWSSPKBVYKTO-FQEVSTJZSA-N 1 0 472.638 3.949 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001307048368 1069794074 /nfs/dbraw/zinc/79/40/74/1069794074.db2.gz RQZLMPRUWKUUOD-UHFFFAOYSA-N 1 0 486.636 3.797 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2CCc2noc(CC)n2)CC1 ZINC001307048397 1069794099 /nfs/dbraw/zinc/79/40/99/1069794099.db2.gz SESOEUWXMZVKFK-UHFFFAOYSA-N 1 0 455.582 3.507 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccn3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001307049082 1069796055 /nfs/dbraw/zinc/79/60/55/1069796055.db2.gz FNSDDEWNGWQKLM-UHFFFAOYSA-N 1 0 493.603 3.811 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001307049046 1069796189 /nfs/dbraw/zinc/79/61/89/1069796189.db2.gz HOXXQQHPLLVMCX-PGRDOPGGSA-N 1 0 486.636 3.783 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001307049437 1069797596 /nfs/dbraw/zinc/79/75/96/1069797596.db2.gz KUGPUEXEPOLLGF-JGCGQSQUSA-N 1 0 461.676 3.812 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCCC[C@@H](SCC)C2)C1 ZINC001307050557 1069800981 /nfs/dbraw/zinc/80/09/81/1069800981.db2.gz ZIOHZQJCOHIAQT-KJJMTIBFSA-N 1 0 465.708 3.846 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCOC2)CC1 ZINC001307050897 1069801886 /nfs/dbraw/zinc/80/18/86/1069801886.db2.gz HEIKOUWAJZKQSX-QHCPKHFHSA-N 1 0 498.455 3.626 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COCC)n2Cc2nc3cccc(Cl)c3n2C)CC1 ZINC001307050587 1069800250 /nfs/dbraw/zinc/80/02/50/1069800250.db2.gz DBLPOHLSTMGWHI-UHFFFAOYSA-N 1 0 460.026 3.714 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[NH+]2CCCC2)cc1 ZINC001314203244 1069806803 /nfs/dbraw/zinc/80/68/03/1069806803.db2.gz OHOHADCPFKXDAO-NFBKMPQASA-N 1 0 457.619 3.774 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3cc(C)cc(C)c3)n2CCn2cc(C)cn2)CC1 ZINC001307052884 1069809380 /nfs/dbraw/zinc/80/93/80/1069809380.db2.gz ININPYJQJNMUCL-UHFFFAOYSA-N 1 0 465.646 3.990 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001307052485 1069808485 /nfs/dbraw/zinc/80/84/85/1069808485.db2.gz BGTATJKFSNFMJZ-TZIWHRDSSA-N 1 0 486.665 3.536 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccsc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001307052613 1069808538 /nfs/dbraw/zinc/80/85/38/1069808538.db2.gz AKCPEMPVUKHXBE-UHFFFAOYSA-N 1 0 479.716 3.598 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CC3CCCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001307053899 1069813841 /nfs/dbraw/zinc/81/38/41/1069813841.db2.gz UUARJMMELNOTAR-OAQYLSRUSA-N 1 0 486.627 3.585 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)CC1 ZINC001307053510 1069813280 /nfs/dbraw/zinc/81/32/80/1069813280.db2.gz DCCWSTVNUDHFTG-JOCHJYFZSA-N 1 0 488.702 3.696 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001307053955 1069814503 /nfs/dbraw/zinc/81/45/03/1069814503.db2.gz GZYNUNOZIXAEEM-PXNSSMCTSA-N 1 0 491.478 3.790 20 0 JHADRO CCOc1cccc(CCn2c(Cn3nc(C)cc3C)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001314205542 1069815342 /nfs/dbraw/zinc/81/53/42/1069815342.db2.gz BSFXVSHYGOPXHV-UHFFFAOYSA-N 1 0 465.646 3.702 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2Cc2c(CC)nn(C)c2CC)CC1 ZINC001307055329 1069821731 /nfs/dbraw/zinc/82/17/31/1069821731.db2.gz LHJCRCNPURGAAR-QHCPKHFHSA-N 1 0 457.667 3.737 20 0 JHADRO CC1(c2ccccc2)CCC(NC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC1 ZINC001312265685 1069822992 /nfs/dbraw/zinc/82/29/92/1069822992.db2.gz VLIIOQQXOPMYLC-UHFFFAOYSA-N 1 0 454.659 3.911 20 0 JHADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)[C@@H](C)C1 ZINC001312266526 1069823532 /nfs/dbraw/zinc/82/35/32/1069823532.db2.gz RWBNHJSSQFAOFP-LAUBAEHRSA-N 1 0 451.453 3.785 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1CC ZINC001307055263 1069821298 /nfs/dbraw/zinc/82/12/98/1069821298.db2.gz ORPIKZPVJLLWOL-RTWAWAEBSA-N 1 0 459.660 3.992 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC001307056623 1069828233 /nfs/dbraw/zinc/82/82/33/1069828233.db2.gz VDRUTQMAKRHPFV-JOCHJYFZSA-N 1 0 486.636 3.533 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001307055944 1069824426 /nfs/dbraw/zinc/82/44/26/1069824426.db2.gz RMTODULVWBGQCZ-GOTSBHOMSA-N 1 0 452.647 3.951 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)NC(C)C ZINC001307056436 1069827428 /nfs/dbraw/zinc/82/74/28/1069827428.db2.gz SVIYASMKFHZUJY-SFHVURJKSA-N 1 0 465.017 3.963 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(-c4ccc(C)o4)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001314210967 1069833314 /nfs/dbraw/zinc/83/33/14/1069833314.db2.gz GNBNEQDCVKGXKR-UHFFFAOYSA-N 1 0 467.618 3.697 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001307056897 1069830581 /nfs/dbraw/zinc/83/05/81/1069830581.db2.gz CVBWZXRFOSRBRC-GOTSBHOMSA-N 1 0 497.688 3.879 20 0 JHADRO COc1ccccc1N1CC[C@H](NC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1=O ZINC001312280204 1069834111 /nfs/dbraw/zinc/83/41/11/1069834111.db2.gz QKTKYUVTLNVPFU-GMAHTHKFSA-N 1 0 452.599 3.601 20 0 JHADRO CCOc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1OC(F)F ZINC001314211526 1069835521 /nfs/dbraw/zinc/83/55/21/1069835521.db2.gz SNSNAUNYHRSGAC-SFHVURJKSA-N 1 0 479.572 3.751 20 0 JHADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N(Cc1cccc(Br)c1)CC1CC1 ZINC001312280906 1069835588 /nfs/dbraw/zinc/83/55/88/1069835588.db2.gz KAVYWLDARMOKBL-SFTDATJTSA-N 1 0 450.421 3.749 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)OC ZINC001307058002 1069837526 /nfs/dbraw/zinc/83/75/26/1069837526.db2.gz KXWVGYAUHXDRGM-RTBURBONSA-N 1 0 450.628 3.655 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001307058970 1069842395 /nfs/dbraw/zinc/84/23/95/1069842395.db2.gz PRPQLAGRPXQLEG-FPOVZHCZSA-N 1 0 460.667 3.941 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CCOC)CC1 ZINC001307058623 1069840267 /nfs/dbraw/zinc/84/02/67/1069840267.db2.gz OPBQGUOXJTZTFV-QHCPKHFHSA-N 1 0 475.081 3.555 20 0 JHADRO CCOc1ccccc1CCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001314213582 1069841066 /nfs/dbraw/zinc/84/10/66/1069841066.db2.gz OIGNFZUMUSKRFT-UHFFFAOYSA-N 1 0 496.681 3.832 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001307058928 1069841578 /nfs/dbraw/zinc/84/15/78/1069841578.db2.gz OWXWXDVURSKBGY-IBGZPJMESA-N 1 0 470.609 3.879 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001307059231 1069843201 /nfs/dbraw/zinc/84/32/01/1069843201.db2.gz URJNCMBMLJBUDZ-SFTDATJTSA-N 1 0 488.627 3.764 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@H](OC)C(C)(C)C ZINC001314215241 1069846184 /nfs/dbraw/zinc/84/61/84/1069846184.db2.gz DDFSJAMJRFKDPO-SXWKCWPCSA-N 1 0 471.646 3.990 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H](OC)C(C)(C)C ZINC001314215236 1069846287 /nfs/dbraw/zinc/84/62/87/1069846287.db2.gz DDFSJAMJRFKDPO-QTEQDKRBSA-N 1 0 471.646 3.990 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001307059810 1069846734 /nfs/dbraw/zinc/84/67/34/1069846734.db2.gz VYJUORZLJYLNHA-DEOSSOPVSA-N 1 0 482.673 3.877 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H](CC)c3ccccc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1=O ZINC001307060421 1069848250 /nfs/dbraw/zinc/84/82/50/1069848250.db2.gz JEWFRHCJUCAKNF-GMAHTHKFSA-N 1 0 452.647 3.753 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001307061384 1069852678 /nfs/dbraw/zinc/85/26/78/1069852678.db2.gz GITWHXWCBSMQCS-LEWJYISDSA-N 1 0 485.677 3.994 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307060581 1069850170 /nfs/dbraw/zinc/85/01/70/1069850170.db2.gz AOVCRSKACJAERA-RTWAWAEBSA-N 1 0 469.634 3.708 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC[N@@H+]2CC)CC1=O ZINC001307061969 1069857022 /nfs/dbraw/zinc/85/70/22/1069857022.db2.gz RZTLBEWUWKWLLN-DHIUTWEWSA-N 1 0 482.673 3.968 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCCC(=O)NC ZINC001307062056 1069856687 /nfs/dbraw/zinc/85/66/87/1069856687.db2.gz IPROFZXBMGPDLJ-FQEVSTJZSA-N 1 0 465.646 3.664 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314218257 1069858226 /nfs/dbraw/zinc/85/82/26/1069858226.db2.gz UNHMBCRJYMIZET-SFTDATJTSA-N 1 0 471.646 3.991 20 0 JHADRO C[C@@H]1C[C@@H](CCNC(=O)N2CCC(NC(=O)c3ccsc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312315665 1069858279 /nfs/dbraw/zinc/85/82/79/1069858279.db2.gz YFJXJQLYGBJZTE-TZIWHRDSSA-N 1 0 454.640 3.953 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001312316318 1069859312 /nfs/dbraw/zinc/85/93/12/1069859312.db2.gz OXSGOEOCSIORGY-ZHALLVOQSA-N 1 0 458.965 3.889 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(C)C ZINC001307063292 1069862834 /nfs/dbraw/zinc/86/28/34/1069862834.db2.gz POWDAFBMLXRUGO-HXUWFJFHSA-N 1 0 475.707 3.985 20 0 JHADRO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001312322029 1069863019 /nfs/dbraw/zinc/86/30/19/1069863019.db2.gz VHXSXGHPIUOBOH-CJFMBICVSA-N 1 0 454.590 3.650 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001307063713 1069863810 /nfs/dbraw/zinc/86/38/10/1069863810.db2.gz CYDONAYJUAIUDK-IBGZPJMESA-N 1 0 488.080 3.953 20 0 JHADRO CCCN1CCCN(c2nnc(-c3cccc4cccnc43)n2CCC[NH+](CC)CC)CC1=O ZINC001307064152 1069865174 /nfs/dbraw/zinc/86/51/74/1069865174.db2.gz LZNFKCXFSUJYDQ-UHFFFAOYSA-N 1 0 463.630 3.674 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[NH+](CC)CC)CC1=O ZINC001307064367 1069865922 /nfs/dbraw/zinc/86/59/22/1069865922.db2.gz MJCFPZFBKFTGOJ-QGZVFWFLSA-N 1 0 465.017 3.917 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1=O ZINC001307065847 1069872299 /nfs/dbraw/zinc/87/22/99/1069872299.db2.gz RMTCQJKYBIMUFN-ZBLYBZFDSA-N 1 0 484.664 3.967 20 0 JHADRO 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CCOc1ccccc1OCc1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314222503 1069876853 /nfs/dbraw/zinc/87/68/53/1069876853.db2.gz NPDKIGKNSYFZCB-FKBYEOEOSA-N 1 0 499.656 3.766 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC)C1 ZINC001307067970 1069879308 /nfs/dbraw/zinc/87/93/08/1069879308.db2.gz MYFRUBTXXPSLEI-RBBKRZOGSA-N 1 0 478.037 3.627 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001314224354 1069885316 /nfs/dbraw/zinc/88/53/16/1069885316.db2.gz BAQFLXZIGBHPSQ-CZSZKKDXSA-N 1 0 471.646 3.847 20 0 JHADRO CCCN1CCCN(c2nnc(CC3CCCC3)n2Cc2cccc(C[N@H+](C)CC)c2)CC1=O ZINC001307069677 1069883277 /nfs/dbraw/zinc/88/32/77/1069883277.db2.gz PYFWFADCPOBKRJ-UHFFFAOYSA-N 1 0 466.674 3.960 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001307070058 1069883757 /nfs/dbraw/zinc/88/37/57/1069883757.db2.gz WGTXGUMIVZYCIA-ZEQRLZLVSA-N 1 0 482.673 3.735 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001307070040 1069883856 /nfs/dbraw/zinc/88/38/56/1069883856.db2.gz VYLINNLTMWLPGS-QUCCMNQESA-N 1 0 476.021 3.774 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N(C)[C@H](C)CC(N)=O)nnc1C1(c2ccccc2)CCC1 ZINC001307070130 1069885019 /nfs/dbraw/zinc/88/50/19/1069885019.db2.gz XSWVENZQDRCBHR-IFMALSPDSA-N 1 0 452.647 3.713 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001314225765 1069892266 /nfs/dbraw/zinc/89/22/66/1069892266.db2.gz NMBRMLOSAGOXFT-FSSWDIPSSA-N 1 0 471.646 3.727 20 0 JHADRO COc1ccc([C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001312370706 1069893782 /nfs/dbraw/zinc/89/37/82/1069893782.db2.gz WQFKTPHURMFQTA-HXUWFJFHSA-N 1 0 451.489 3.559 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@H]1OCCC1(C)C ZINC001314226425 1069896080 /nfs/dbraw/zinc/89/60/80/1069896080.db2.gz UDKFQCHDFCRSCH-DENIHFKCSA-N 1 0 457.619 3.601 20 0 JHADRO 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CC(C)Cn1c(=O)c2cc(Br)ccc2nc1SCCC[NH+]1CCN(C)CC1 ZINC001307267487 1069920597 /nfs/dbraw/zinc/92/05/97/1069920597.db2.gz CHZJYJATBRGFDS-UHFFFAOYSA-N 1 0 453.450 3.545 20 0 JHADRO C[NH+](C)C1CCN(CCNC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC001312422561 1069925030 /nfs/dbraw/zinc/92/50/30/1069925030.db2.gz DWTHWXZUBOKEPE-UHFFFAOYSA-N 1 0 455.550 3.654 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc([C@@]3(OCC)CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1(C)C ZINC001314243566 1069953045 /nfs/dbraw/zinc/95/30/45/1069953045.db2.gz AGSGNVPIXLXQEY-IPVFLDMMSA-N 1 0 477.694 3.692 20 0 JHADRO C[NH+](C)CC1(CNC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CCCC1 ZINC001312470622 1069957466 /nfs/dbraw/zinc/95/74/66/1069957466.db2.gz XARALRWVOONQQJ-HXUWFJFHSA-N 1 0 452.603 3.673 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)[NH+](C)C)C12CCC2 ZINC001314246589 1069963607 /nfs/dbraw/zinc/96/36/07/1069963607.db2.gz TXYUMVMXTBUTEJ-ZPMCFJSWSA-N 1 0 457.619 3.696 20 0 JHADRO 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CSc1ccc([C@H](CNC(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)[NH+](C)C)cc1 ZINC001312585099 1070029429 /nfs/dbraw/zinc/02/94/29/1070029429.db2.gz DNIFSZNDXHCMSM-PKTZIBPZSA-N 1 0 450.608 3.914 20 0 JHADRO CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001312597772 1070036680 /nfs/dbraw/zinc/03/66/80/1070036680.db2.gz BVFWAPCNHFLGPD-UXHICEINSA-N 1 0 457.537 3.884 20 0 JHADRO Cc1cc(N2CCN(C(=O)C[NH+]3CCC(Cc4ccccc4F)CC3)CC2)nc(C(C)C)n1 ZINC001307523901 1070032844 /nfs/dbraw/zinc/03/28/44/1070032844.db2.gz DCZUDDLSXKXGFW-UHFFFAOYSA-N 1 0 453.606 3.651 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001314275773 1070033897 /nfs/dbraw/zinc/03/38/97/1070033897.db2.gz ORGMQSQHHRFQAW-SFTDATJTSA-N 1 0 482.654 3.578 20 0 JHADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC001312595130 1070035508 /nfs/dbraw/zinc/03/55/08/1070035508.db2.gz MAFAFQAFAHMUGK-UHFFFAOYSA-N 1 0 459.034 3.883 20 0 JHADRO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312622299 1070048366 /nfs/dbraw/zinc/04/83/66/1070048366.db2.gz AWBZMSDSCOWORE-XLGIIRLISA-N 1 0 456.631 3.987 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314282035 1070048703 /nfs/dbraw/zinc/04/87/03/1070048703.db2.gz NXERHGUIDVFSGT-ZRCGQRJVSA-N 1 0 475.609 3.501 20 0 JHADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccc(Br)cc2)CC1 ZINC001312627052 1070050069 /nfs/dbraw/zinc/05/00/69/1070050069.db2.gz IMWRCUUAYKUUGY-HXUWFJFHSA-N 1 0 457.416 3.803 20 0 JHADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC001312630748 1070053181 /nfs/dbraw/zinc/05/31/81/1070053181.db2.gz XOSNGWHXPWLVET-JTDSTZFVSA-N 1 0 455.384 3.881 20 0 JHADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001307573546 1070059764 /nfs/dbraw/zinc/05/97/64/1070059764.db2.gz JQIZACVPCQQNSX-FPOVZHCZSA-N 1 0 452.382 3.558 20 0 JHADRO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c(Cl)c1 ZINC001307572245 1070058183 /nfs/dbraw/zinc/05/81/83/1070058183.db2.gz UZHIPNKRYSTUPR-OAHLLOKOSA-N 1 0 452.338 3.905 20 0 JHADRO CC(C)(C)CN1CCC[C@@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1=O ZINC001307572479 1070059148 /nfs/dbraw/zinc/05/91/48/1070059148.db2.gz YVXBAQVGXKEBMW-QGZVFWFLSA-N 1 0 451.409 3.532 20 0 JHADRO CCOCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001314287206 1070061948 /nfs/dbraw/zinc/06/19/48/1070061948.db2.gz CZSWAMDROIVWTG-UHFFFAOYSA-N 1 0 479.673 3.833 20 0 JHADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC001307584479 1070063696 /nfs/dbraw/zinc/06/36/96/1070063696.db2.gz SPWRRQKXAVDZSI-FYYCGKGUSA-N 1 0 453.608 3.570 20 0 JHADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1)[NH+](C)C ZINC001312657979 1070066789 /nfs/dbraw/zinc/06/67/89/1070066789.db2.gz CAFQFUPDRFVJTQ-SKPFHBQLSA-N 1 0 451.615 3.913 20 0 JHADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)ccc2c1 ZINC001307587044 1070066257 /nfs/dbraw/zinc/06/62/57/1070066257.db2.gz JAQDQEVCCKOYRR-VVMVZBAXSA-N 1 0 450.583 3.517 20 0 JHADRO O=C(CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1)NCc1ccccc1Cl ZINC001307597114 1070072649 /nfs/dbraw/zinc/07/26/49/1070072649.db2.gz LALMEJBFGFGZNA-UHFFFAOYSA-N 1 0 450.808 3.927 20 0 JHADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001307599338 1070074326 /nfs/dbraw/zinc/07/43/26/1070074326.db2.gz JDZKJFDHKAACNT-SFHVURJKSA-N 1 0 452.546 3.876 20 0 JHADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2)CC1 ZINC001312673070 1070074726 /nfs/dbraw/zinc/07/47/26/1070074726.db2.gz ZSBSZANCVARUFZ-UHFFFAOYSA-N 1 0 456.631 3.530 20 0 JHADRO CCOCc1nnc(N(C)[C@H](C)c2ccccc2C)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001314296645 1070080313 /nfs/dbraw/zinc/08/03/13/1070080313.db2.gz CWRIWUXUMUCXDR-JOCHJYFZSA-N 1 0 477.657 3.906 20 0 JHADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1)c1ccco1 ZINC001312680759 1070079481 /nfs/dbraw/zinc/07/94/81/1070079481.db2.gz RBPMFSVPEBNIMH-IRXDYDNUSA-N 1 0 458.525 3.828 20 0 JHADRO CCOCc1ccccc1Cn1c(CC(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001314294909 1070077984 /nfs/dbraw/zinc/07/79/84/1070077984.db2.gz XXDQTIIOPIGVOW-JOCHJYFZSA-N 1 0 455.647 3.610 20 0 JHADRO Cc1cc(I)ccc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC001307609400 1070080383 /nfs/dbraw/zinc/08/03/83/1070080383.db2.gz ONDGHDFITVIKHM-INIZCTEOSA-N 1 0 452.336 3.811 20 0 JHADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC001312684880 1070081929 /nfs/dbraw/zinc/08/19/29/1070081929.db2.gz KFOAXVMOOWAJAI-RTBURBONSA-N 1 0 451.409 3.580 20 0 JHADRO Cc1nc(-c2ccc([C@H](C)[NH2+]CC(=O)NCC(=O)N[C@H](C)c3ccc(F)cc3)cc2)cs1 ZINC001307621361 1070084560 /nfs/dbraw/zinc/08/45/60/1070084560.db2.gz QYLYQMYMUXXIFZ-JKSUJKDBSA-N 1 0 454.571 3.902 20 0 JHADRO C[C@H]([NH2+]CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)[C@@H](C)c1ccccc1 ZINC001307615331 1070083269 /nfs/dbraw/zinc/08/32/69/1070083269.db2.gz IHIYTXBASUBCJA-VBAJYNEMSA-N 1 0 455.555 3.760 20 0 JHADRO CCOCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CCC(=O)N1CCCCC1 ZINC001314301424 1070085594 /nfs/dbraw/zinc/08/55/94/1070085594.db2.gz DJYCPHSIUPALHJ-ISKFKSNPSA-N 1 0 482.673 3.707 20 0 JHADRO CC[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC001307624274 1070086021 /nfs/dbraw/zinc/08/60/21/1070086021.db2.gz XDKDKMWJFCSYSB-XMMPIXPASA-N 1 0 451.611 3.966 20 0 JHADRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(F)cc1)c1cc2c(cc1Br)OCCO2 ZINC001307623260 1070086218 /nfs/dbraw/zinc/08/62/18/1070086218.db2.gz VTGUUYKQQDRAIG-CYBMUJFWSA-N 1 0 458.349 3.874 20 0 JHADRO CCOCc1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314302761 1070087821 /nfs/dbraw/zinc/08/78/21/1070087821.db2.gz KMXFBYOPVLSTAL-FCHUYYIVSA-N 1 0 452.603 3.816 20 0 JHADRO CCOCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001314302825 1070088006 /nfs/dbraw/zinc/08/80/06/1070088006.db2.gz LVSJETOZABRZSP-NRFANRHFSA-N 1 0 486.661 3.829 20 0 JHADRO COc1cc([C@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1OCc1ccncc1 ZINC001307631417 1070090434 /nfs/dbraw/zinc/09/04/34/1070090434.db2.gz KYYLVFWLUPIQSG-RXVVDRJESA-N 1 0 457.571 3.956 20 0 JHADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1OCc1ccncc1 ZINC001307631415 1070090526 /nfs/dbraw/zinc/09/05/26/1070090526.db2.gz KYYLVFWLUPIQSG-GHTZIAJQSA-N 1 0 457.571 3.956 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314304823 1070091138 /nfs/dbraw/zinc/09/11/38/1070091138.db2.gz VHVCROFOBTVQMP-UNMCSNQZSA-N 1 0 490.718 3.506 20 0 JHADRO Cc1cc([C@@H]([NH2+]CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C2CC2)ccc1F ZINC001307636407 1070093519 /nfs/dbraw/zinc/09/35/19/1070093519.db2.gz IBKPSQKHVNOTDG-DEOSSOPVSA-N 1 0 459.587 3.988 20 0 JHADRO CCOCc1nnc(N(C)Cc2cscn2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001314307957 1070095264 /nfs/dbraw/zinc/09/52/64/1070095264.db2.gz ZLYYWDICZRCVSS-UHFFFAOYSA-N 1 0 450.678 3.659 20 0 JHADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC001307639632 1070095218 /nfs/dbraw/zinc/09/52/18/1070095218.db2.gz BRWZGRAQMCCRQW-IBGZPJMESA-N 1 0 459.612 3.938 20 0 JHADRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]CC(=O)N2CC(=O)Nc3ccccc32)cc1OC ZINC001307640671 1070095922 /nfs/dbraw/zinc/09/59/22/1070095922.db2.gz UZTNYUHJTOVWTI-QFIPXVFZSA-N 1 0 459.546 3.871 20 0 JHADRO CC(C)N(C)C(=O)C1CCN(C(=O)C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC001307642511 1070097511 /nfs/dbraw/zinc/09/75/11/1070097511.db2.gz MQJWDFQUCLJLGS-XMMPIXPASA-N 1 0 457.565 3.944 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1Cc1ccc(F)c(Cl)c1 ZINC001314312327 1070099286 /nfs/dbraw/zinc/09/92/86/1070099286.db2.gz UAGXQQUKJDEIPK-FDDCHVKYSA-N 1 0 490.027 3.908 20 0 JHADRO CCOC(=O)CN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1ccccc1 ZINC001307650297 1070101741 /nfs/dbraw/zinc/10/17/41/1070101741.db2.gz WEPYNGRHSQQOSZ-JOCHJYFZSA-N 1 0 451.611 3.702 20 0 JHADRO CCOC(=O)CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H](C)c1ccccc1 ZINC001307650013 1070101793 /nfs/dbraw/zinc/10/17/93/1070101793.db2.gz QZTUDSBTSLWUSM-HXUWFJFHSA-N 1 0 455.624 3.800 20 0 JHADRO C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC001312750540 1070102603 /nfs/dbraw/zinc/10/26/03/1070102603.db2.gz XHLOONNNTLBKHH-FRPAHBMMSA-N 1 0 452.574 3.842 20 0 JHADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CCN(c2cnccn2)CC1 ZINC001307656272 1070105222 /nfs/dbraw/zinc/10/52/22/1070105222.db2.gz CNIVDMUMCIEOGL-HNNXBMFYSA-N 1 0 457.003 3.561 20 0 JHADRO CCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307656714 1070106217 /nfs/dbraw/zinc/10/62/17/1070106217.db2.gz FTZVAWZIEPEJBP-DNQXCXABSA-N 1 0 451.611 3.964 20 0 JHADRO COc1cc(C)c([C@@H](C)NC(=O)CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001307657053 1070106263 /nfs/dbraw/zinc/10/62/63/1070106263.db2.gz GRWIXLXPCMBOGY-RBZJZWSTSA-N 1 0 453.627 3.936 20 0 JHADRO C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1=O ZINC001312758010 1070107711 /nfs/dbraw/zinc/10/77/11/1070107711.db2.gz RCWWTEUXJBGHJM-JPYJTQIMSA-N 1 0 458.553 3.790 20 0 JHADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC001307660009 1070108061 /nfs/dbraw/zinc/10/80/61/1070108061.db2.gz XHSXFNJFCBPQDJ-LIRRHRJNSA-N 1 0 454.527 3.786 20 0 JHADRO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC001307663519 1070109642 /nfs/dbraw/zinc/10/96/42/1070109642.db2.gz ZPJPBJMCPNVMML-GOSISDBHSA-N 1 0 455.400 3.671 20 0 JHADRO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001307664231 1070110506 /nfs/dbraw/zinc/11/05/06/1070110506.db2.gz RUWMPVZXSRTOMB-LLVKDONJSA-N 1 0 451.390 3.862 20 0 JHADRO C[C@@H](N[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307668511 1070112998 /nfs/dbraw/zinc/11/29/98/1070112998.db2.gz HNXWCCAJOVRSET-PMPSAXMXSA-N 1 0 452.521 3.622 20 0 JHADRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC001307671817 1070115354 /nfs/dbraw/zinc/11/53/54/1070115354.db2.gz HPIFMVSFQQILHA-DVECYGJZSA-N 1 0 451.596 3.905 20 0 JHADRO CCOCc1nnc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314327196 1070115300 /nfs/dbraw/zinc/11/53/00/1070115300.db2.gz KYEBVFFPAHIYFR-CTNGQTDRSA-N 1 0 459.660 3.608 20 0 JHADRO CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC001307676493 1070118795 /nfs/dbraw/zinc/11/87/95/1070118795.db2.gz AJECYGSSRDFMCO-UHFFFAOYSA-N 1 0 454.356 3.709 20 0 JHADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 ZINC001307682140 1070122814 /nfs/dbraw/zinc/12/28/14/1070122814.db2.gz HBKINUXSEIJKCY-GGAORHGYSA-N 1 0 459.594 3.907 20 0 JHADRO COc1cc(OC)c(CNC(=O)C[NH2+]C(C)(C)Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC001307687038 1070126498 /nfs/dbraw/zinc/12/64/98/1070126498.db2.gz YQRFPNXQUWAXJE-UHFFFAOYSA-N 1 0 454.489 3.958 20 0 JHADRO CC(=O)N(c1nc(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cs1)c1cccc(C(F)(F)F)c1 ZINC001307705074 1070135864 /nfs/dbraw/zinc/13/58/64/1070135864.db2.gz OZSOIVHTQFAELG-CABCVRRESA-N 1 0 456.534 3.733 20 0 JHADRO COc1cc(OC)cc(N2CCCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)CC2)c1 ZINC001312815062 1070137892 /nfs/dbraw/zinc/13/78/92/1070137892.db2.gz KHBHHSHRLMDMBM-NBGIEHNGSA-N 1 0 452.599 3.589 20 0 JHADRO COc1cc(OC)cc(N2CCCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)CC2)c1 ZINC001312815058 1070138052 /nfs/dbraw/zinc/13/80/52/1070138052.db2.gz KHBHHSHRLMDMBM-CPJSRVTESA-N 1 0 452.599 3.589 20 0 JHADRO CCOCc1nnc(N2CCC(c3cnn(C)c3)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314341301 1070140298 /nfs/dbraw/zinc/14/02/98/1070140298.db2.gz YTVIXTGSZQWXPK-OYRHEFFESA-N 1 0 457.667 3.690 20 0 JHADRO COc1ccc(OC)c2c1CN(C(=O)NC[C@H]1CCCC[N@H+](Cc3ccccc3)C1)C[C@@H]2O ZINC001312825332 1070144770 /nfs/dbraw/zinc/14/47/70/1070144770.db2.gz VXAMUBHJUPGGFT-IRLDBZIGSA-N 1 0 453.583 3.565 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314345036 1070150316 /nfs/dbraw/zinc/15/03/16/1070150316.db2.gz FLHUYUQDGCYEDF-RXVVDRJESA-N 1 0 490.624 3.608 20 0 JHADRO CCOCc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314347206 1070154402 /nfs/dbraw/zinc/15/44/02/1070154402.db2.gz WEIAXMCHOCWYDN-VQTJNVASSA-N 1 0 478.682 3.676 20 0 JHADRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccc(Br)cn1 ZINC001307735075 1070157921 /nfs/dbraw/zinc/15/79/21/1070157921.db2.gz UKDHZEIFZBACKZ-LLVKDONJSA-N 1 0 451.390 3.563 20 0 JHADRO CCOCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314349146 1070162205 /nfs/dbraw/zinc/16/22/05/1070162205.db2.gz INLSRPKOMDIVSA-CLOONOSVSA-N 1 0 478.682 3.819 20 0 JHADRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)[C@H](C)[C@H]1OC ZINC001307746856 1070163030 /nfs/dbraw/zinc/16/30/30/1070163030.db2.gz VNOOQLKSRBXURZ-IWMITWMQSA-N 1 0 457.537 3.910 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001312881611 1070164683 /nfs/dbraw/zinc/16/46/83/1070164683.db2.gz RSAUJBUZLAQGEQ-UFPGJGBJSA-N 1 0 456.631 3.987 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H]1CCCOc2c(OC)cccc21 ZINC001312885041 1070167253 /nfs/dbraw/zinc/16/72/53/1070167253.db2.gz IXBNHBXGXPSSSR-JCTONOIOSA-N 1 0 453.583 3.745 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC001312883588 1070166426 /nfs/dbraw/zinc/16/64/26/1070166426.db2.gz BLJGQFRDLGCRBX-HMXCVIKNSA-N 1 0 457.537 3.713 20 0 JHADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC001307752966 1070167491 /nfs/dbraw/zinc/16/74/91/1070167491.db2.gz CPOCNGDNGSWSHW-RTWAWAEBSA-N 1 0 453.674 3.842 20 0 JHADRO CCOCc1nnc(N2CCC(O)(Cc3cccc(C)c3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314350470 1070167680 /nfs/dbraw/zinc/16/76/80/1070167680.db2.gz XWPVPZOKCONGFP-GOTSBHOMSA-N 1 0 469.674 3.817 20 0 JHADRO O=C(C[NH2+]C1(Cc2ccccc2)CCOCC1)Nc1ccc(I)cc1 ZINC001307769651 1070176226 /nfs/dbraw/zinc/17/62/26/1070176226.db2.gz LBVQQGFOFKVNDK-UHFFFAOYSA-N 1 0 450.320 3.611 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001307772993 1070177118 /nfs/dbraw/zinc/17/71/18/1070177118.db2.gz BXXBFKIDDYWGHA-GVAUOCQISA-N 1 0 473.658 3.672 20 0 JHADRO Cc1c(Cl)cccc1N1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC001307765913 1070174462 /nfs/dbraw/zinc/17/44/62/1070174462.db2.gz SDBPALDZAKOKBB-IBGZPJMESA-N 1 0 458.002 3.679 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314360113 1070183698 /nfs/dbraw/zinc/18/36/98/1070183698.db2.gz IGCFTPKMOCHPCV-WOJBJXKFSA-N 1 0 497.669 3.738 20 0 JHADRO CCCC[N@H+](CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@@H]1CCC[C@H](C)C1 ZINC001307801848 1070188656 /nfs/dbraw/zinc/18/86/56/1070188656.db2.gz BIWKSKLWAHPJAE-SKRVSQEZSA-N 1 0 458.628 3.915 20 0 JHADRO C[C@H]([NH2+]C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)c1ccc(N2CCCNC2=O)cc1 ZINC001307802545 1070189656 /nfs/dbraw/zinc/18/96/56/1070189656.db2.gz FEXYIPKFLKRWJS-NXQMDHLFSA-N 1 0 458.603 3.673 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCC[N@@H+]2CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC001307805540 1070191364 /nfs/dbraw/zinc/19/13/64/1070191364.db2.gz XGWCJMZMKQFAME-WIYYLYMNSA-N 1 0 452.617 3.580 20 0 JHADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC001307806933 1070192184 /nfs/dbraw/zinc/19/21/84/1070192184.db2.gz JZZDWRXGQSLCBJ-IRXDYDNUSA-N 1 0 454.162 3.788 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001314365948 1070196475 /nfs/dbraw/zinc/19/64/75/1070196475.db2.gz NGWOJUASWZVJRI-HCLIFNFZSA-N 1 0 487.714 3.832 20 0 JHADRO CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001312958380 1070199524 /nfs/dbraw/zinc/19/95/24/1070199524.db2.gz MENVZWHSDJLKFA-LEWJYISDSA-N 1 0 450.599 3.806 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001314367015 1070200379 /nfs/dbraw/zinc/20/03/79/1070200379.db2.gz QKBKMMHSWOIPTM-SFTDATJTSA-N 1 0 478.682 3.772 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCc1cccc(C(=O)NC)c1 ZINC001314368566 1070203279 /nfs/dbraw/zinc/20/32/79/1070203279.db2.gz WNEGYMNDYVYBTC-HSZRJFAPSA-N 1 0 482.673 3.509 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCCN1CCCCCC1=O ZINC001314368990 1070204997 /nfs/dbraw/zinc/20/49/97/1070204997.db2.gz YKAPDUYPIAWISQ-PKTZIBPZSA-N 1 0 474.694 3.698 20 0 JHADRO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001307834807 1070205208 /nfs/dbraw/zinc/20/52/08/1070205208.db2.gz OHOGDHJHZNYJIL-HNNXBMFYSA-N 1 0 459.493 3.727 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC[N@@H+](C2CC2)C1 ZINC001312987924 1070209052 /nfs/dbraw/zinc/20/90/52/1070209052.db2.gz KXKPMJAXDGPRRM-WWPVKYPJSA-N 1 0 456.631 3.905 20 0 JHADRO COC(=O)c1ccc(F)c(C[NH+]2CCC([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1 ZINC001307839682 1070207208 /nfs/dbraw/zinc/20/72/08/1070207208.db2.gz KLPUBJFQXGFTOI-TZIWHRDSSA-N 1 0 450.551 3.897 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314370375 1070207251 /nfs/dbraw/zinc/20/72/51/1070207251.db2.gz WPHQXAAOUPDACP-XZOQPEGZSA-N 1 0 469.609 3.911 20 0 JHADRO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001307843272 1070208910 /nfs/dbraw/zinc/20/89/10/1070208910.db2.gz LLZSXZYKSKIYDO-WTIAFYNJSA-N 1 0 456.631 3.875 20 0 JHADRO COC(=O)c1ccc(C[NH+]2CCC([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)cc1F ZINC001307840609 1070208100 /nfs/dbraw/zinc/20/81/00/1070208100.db2.gz SZYSBVHWOVDNFJ-RXVVDRJESA-N 1 0 450.551 3.897 20 0 JHADRO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)cc1 ZINC001307849286 1070210580 /nfs/dbraw/zinc/21/05/80/1070210580.db2.gz GMOPIHMUDGRWKT-IBGZPJMESA-N 1 0 452.617 3.643 20 0 JHADRO COCCNC(=O)c1c2c(sc1NC(=O)C[NH2+]C1(c3cccc(C)c3)CCC1)CCCC2 ZINC001307871737 1070218342 /nfs/dbraw/zinc/21/83/42/1070218342.db2.gz HGERNOVMYJALLN-UHFFFAOYSA-N 1 0 455.624 3.919 20 0 JHADRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)CC(=O)NCC(=O)Nc1cc(C)ccc1OC ZINC001307863443 1070215387 /nfs/dbraw/zinc/21/53/87/1070215387.db2.gz MXOIMLPOSLEJFE-UHFFFAOYSA-N 1 0 451.489 3.642 20 0 JHADRO CCOCc1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CC(F)(F)Br ZINC001314377290 1070219070 /nfs/dbraw/zinc/21/90/70/1070219070.db2.gz DNINEAIIJHYZTA-UHFFFAOYSA-N 1 0 458.351 3.515 20 0 JHADRO CCOCc1nnc(N2CCCC[C@H](COC)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314378013 1070220229 /nfs/dbraw/zinc/22/02/29/1070220229.db2.gz UQRFMMPYXQDQCX-NRFANRHFSA-N 1 0 455.647 3.904 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001314379968 1070223305 /nfs/dbraw/zinc/22/33/05/1070223305.db2.gz SOOLKSYTUHZCCR-HSZRJFAPSA-N 1 0 451.619 3.778 20 0 JHADRO CCOCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001314379454 1070222383 /nfs/dbraw/zinc/22/23/83/1070222383.db2.gz XFXODKOGNZWFHT-UHFFFAOYSA-N 1 0 482.551 3.654 20 0 JHADRO CCOCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001314379588 1070222426 /nfs/dbraw/zinc/22/24/26/1070222426.db2.gz YHGYOWYIKWZDNL-UHFFFAOYSA-N 1 0 487.649 3.863 20 0 JHADRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)C[C@H]1c1ccccc1 ZINC001307881489 1070222500 /nfs/dbraw/zinc/22/25/00/1070222500.db2.gz ZINWXZGSEKDEPA-PABCKOPISA-N 1 0 452.551 3.732 20 0 JHADRO C[NH+]1CCC(CNC(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)(c2ccccc2)CC1 ZINC001313016450 1070222708 /nfs/dbraw/zinc/22/27/08/1070222708.db2.gz PPOACSDVADKIMR-HSZRJFAPSA-N 1 0 457.018 3.508 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314382983 1070226392 /nfs/dbraw/zinc/22/63/92/1070226392.db2.gz IVDIPRSNNCKZCW-DFHRPNOPSA-N 1 0 496.700 3.525 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314381485 1070224538 /nfs/dbraw/zinc/22/45/38/1070224538.db2.gz JTJIADRUOINIDC-DHIUTWEWSA-N 1 0 496.700 3.842 20 0 JHADRO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)s1 ZINC001307903465 1070232320 /nfs/dbraw/zinc/23/23/20/1070232320.db2.gz CTLFQUBBGHVYCW-JZXOWHBKSA-N 1 0 453.605 3.604 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCC(=O)NCC3CCCCC3)C2)C1 ZINC001307903844 1070232541 /nfs/dbraw/zinc/23/25/41/1070232541.db2.gz HQIZJTZLFNTRQM-VSKRKVRLSA-N 1 0 451.652 3.857 20 0 JHADRO Cc1cc(C)c(NC(=O)CNC(=O)CN2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)c(C)c1 ZINC001307893087 1070228308 /nfs/dbraw/zinc/22/83/08/1070228308.db2.gz FXXDRXPMQFYEPB-YTFSRNRJSA-N 1 0 450.627 3.650 20 0 JHADRO Cc1cc(C2CCN(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)CC2)ccc1Br ZINC001313044702 1070233347 /nfs/dbraw/zinc/23/33/47/1070233347.db2.gz BCDKYWZXVALKLZ-FQEVSTJZSA-N 1 0 450.421 3.900 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3nnc(-c4cccc(O)c4)o3)C2)C1 ZINC001307905231 1070233562 /nfs/dbraw/zinc/23/35/62/1070233562.db2.gz RMLUVMTWAMVONI-GGPKGHCWSA-N 1 0 458.559 3.727 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314387584 1070235749 /nfs/dbraw/zinc/23/57/49/1070235749.db2.gz WYYRJWRWJPWWHC-IBGZPJMESA-N 1 0 476.050 3.554 20 0 JHADRO CCOCc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001314387945 1070237033 /nfs/dbraw/zinc/23/70/33/1070237033.db2.gz CYDDVCYTLOGPBF-UHFFFAOYSA-N 1 0 450.578 3.538 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314388478 1070238958 /nfs/dbraw/zinc/23/89/58/1070238958.db2.gz JRVYTKHGIIAVJH-NJDAHSKKSA-N 1 0 489.734 3.911 20 0 JHADRO CCOCc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314388711 1070239654 /nfs/dbraw/zinc/23/96/54/1070239654.db2.gz BOEQHFRSTKDPJE-DFBJGRDBSA-N 1 0 476.616 3.930 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC001307927327 1070246569 /nfs/dbraw/zinc/24/65/69/1070246569.db2.gz AZIGEQPIHRGCAR-AOMKIAJQSA-N 1 0 453.421 3.906 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001314390641 1070244216 /nfs/dbraw/zinc/24/42/16/1070244216.db2.gz MXZWEKYBPIJSFP-CTNGQTDRSA-N 1 0 476.666 3.525 20 0 JHADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001313082942 1070245036 /nfs/dbraw/zinc/24/50/36/1070245036.db2.gz XXSIPIXUIMMNSK-PKTZIBPZSA-N 1 0 456.631 3.987 20 0 JHADRO CCOCc1nnc(N2CCN(c3cccc(OC)c3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314390889 1070245250 /nfs/dbraw/zinc/24/52/50/1070245250.db2.gz PCSSJCLLZHXEII-HFZDXXHNSA-N 1 0 470.662 3.660 20 0 JHADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC001307939416 1070250332 /nfs/dbraw/zinc/25/03/32/1070250332.db2.gz RZTZPJVCRGGZOX-NRFANRHFSA-N 1 0 453.631 3.684 20 0 JHADRO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001307939927 1070250869 /nfs/dbraw/zinc/25/08/69/1070250869.db2.gz AKLAJEHXAGGXTD-QZTJIDSGSA-N 1 0 458.525 3.993 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001314393746 1070251086 /nfs/dbraw/zinc/25/10/86/1070251086.db2.gz HSKUYXGJAYHCPQ-KRWDZBQOSA-N 1 0 497.562 3.580 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1Cc1c(Cl)cccc1OC ZINC001314398202 1070258260 /nfs/dbraw/zinc/25/82/60/1070258260.db2.gz HQJWLQSYGRABSI-UHFFFAOYSA-N 1 0 476.046 3.951 20 0 JHADRO C[C@@H](NC(=O)CNC(=O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1)c1ccc(F)cc1 ZINC001307950661 1070255364 /nfs/dbraw/zinc/25/53/64/1070255364.db2.gz ZQKYSHGZQSFYKJ-OAHLLOKOSA-N 1 0 451.464 3.807 20 0 JHADRO COc1ccc(OC)c([C@@H](O)CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1 ZINC001313123670 1070258992 /nfs/dbraw/zinc/25/89/92/1070258992.db2.gz HSWPXBGNLASFBZ-OALUTQOASA-N 1 0 456.370 3.646 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH+]2CCC(c3nccc(N4CCOCC4)n3)CC2)C1 ZINC001307969423 1070262925 /nfs/dbraw/zinc/26/29/25/1070262925.db2.gz PVIJHOOTXRQLRI-FQEVSTJZSA-N 1 0 459.635 3.530 20 0 JHADRO CCOCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1Cc1cc(Cl)ccc1OC ZINC001314399034 1070259519 /nfs/dbraw/zinc/25/95/19/1070259519.db2.gz RJVOVONHRMCTOC-WOJBJXKFSA-N 1 0 491.080 3.520 20 0 JHADRO OCCCCC[NH+]1CCN(Cc2nnc(-c3ccc4cc(Br)ccc4c3)o2)CC1 ZINC001307968574 1070263375 /nfs/dbraw/zinc/26/33/75/1070263375.db2.gz ZGNBTJAKTQWQMN-UHFFFAOYSA-N 1 0 459.388 3.933 20 0 JHADRO Cc1ccc(N2CC[C@H]([NH+]3CCC(CO[C@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)C2=O)cc1 ZINC001307977920 1070266378 /nfs/dbraw/zinc/26/63/78/1070266378.db2.gz YWYYZLRFFBXBBA-GOTSBHOMSA-N 1 0 457.615 3.838 20 0 JHADRO COc1ccc([C@H](O)C2CCN(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)CC2)cc1 ZINC001313137855 1070266759 /nfs/dbraw/zinc/26/67/59/1070266759.db2.gz MUSRXYNBSKZGRX-PSUQPPDWSA-N 1 0 451.611 3.918 20 0 JHADRO Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](c4ccc(F)cc4)C3(C)C)CC2)nc(C(C)C)n1 ZINC001307994360 1070273742 /nfs/dbraw/zinc/27/37/42/1070273742.db2.gz XWDDVESZCLCAFY-QFIPXVFZSA-N 1 0 453.606 3.964 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001313163485 1070275397 /nfs/dbraw/zinc/27/53/97/1070275397.db2.gz OKBOHUUWIFPHHP-XLGIIRLISA-N 1 0 456.631 3.987 20 0 JHADRO O=C(CC[NH+]1CCN(Cc2ccc(O)c(Cl)c2)CC1)Nc1cccc(Br)c1 ZINC001308013025 1070279235 /nfs/dbraw/zinc/27/92/35/1070279235.db2.gz VVFHKLCFWUSOKQ-UHFFFAOYSA-N 1 0 452.780 3.955 20 0 JHADRO CCOCc1nnc(N2CCOC3(C2)CCCCCC3)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001314414416 1070279943 /nfs/dbraw/zinc/27/99/43/1070279943.db2.gz ZYUYRWGVQSWMBL-UHFFFAOYSA-N 1 0 471.646 3.733 20 0 JHADRO C[C@H](NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313172552 1070280313 /nfs/dbraw/zinc/28/03/13/1070280313.db2.gz VDCYHBFMACWRTD-FQEVSTJZSA-N 1 0 458.647 3.985 20 0 JHADRO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1CC(=O)NCc1ccccc1CN1CCCC1=O ZINC001308014118 1070280741 /nfs/dbraw/zinc/28/07/41/1070280741.db2.gz DKNRBHDKOVNDSG-SANMLTNESA-N 1 0 455.549 3.801 20 0 JHADRO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001308028175 1070285237 /nfs/dbraw/zinc/28/52/37/1070285237.db2.gz VVEAZTCILQLXDM-DNQXCXABSA-N 1 0 455.640 3.621 20 0 JHADRO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[NH2+]C2([C@@H]3CCCCO3)CCC2)c1 ZINC001308029602 1070285513 /nfs/dbraw/zinc/28/55/13/1070285513.db2.gz SKRIBGRSUUHNKO-QFIPXVFZSA-N 1 0 457.596 3.532 20 0 JHADRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N3CCN(c4ccc(Br)cc4)CC3)C2)cc1 ZINC001313187135 1070286189 /nfs/dbraw/zinc/28/61/89/1070286189.db2.gz RWXJVXCPNXUAQW-OAQYLSRUSA-N 1 0 457.416 3.864 20 0 JHADRO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](O)COc2ccc(Cl)cc2Br)no1 ZINC001308029895 1070286628 /nfs/dbraw/zinc/28/66/28/1070286628.db2.gz AOSSHZSVJPOZPA-YPAMNDHTSA-N 1 0 456.768 3.944 20 0 JHADRO C[NH+](C)C1(C)CCC(NC(=O)N2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001313177800 1070282888 /nfs/dbraw/zinc/28/28/88/1070282888.db2.gz AFFHHSMDBUCUSW-UHFFFAOYSA-N 1 0 457.537 3.927 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314418860 1070288608 /nfs/dbraw/zinc/28/86/08/1070288608.db2.gz LGHCLVDLNWIXSB-BHIFYINESA-N 1 0 471.646 3.706 20 0 JHADRO CN(C[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C(=O)OC(C)(C)C ZINC001308040165 1070289178 /nfs/dbraw/zinc/28/91/78/1070289178.db2.gz ULCDPTKUHPMUQO-RTBURBONSA-N 1 0 453.624 3.876 20 0 JHADRO CC(C)(C)OC(=O)N1CC(O)(C[N@@H+](Cc2ccccc2)C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC001308047432 1070291274 /nfs/dbraw/zinc/29/12/74/1070291274.db2.gz CJYHUIQPAUHBCI-RTBURBONSA-N 1 0 458.521 3.970 20 0 JHADRO COc1cccc([C@H]2CC[N@H+](CC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)C2(C)C)c1 ZINC001308046870 1070291692 /nfs/dbraw/zinc/29/16/92/1070291692.db2.gz XNCMZJUPKHIXKR-XMMPIXPASA-N 1 0 455.643 3.904 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001314420578 1070291947 /nfs/dbraw/zinc/29/19/47/1070291947.db2.gz OQXFPFGECREQQB-UXHICEINSA-N 1 0 462.038 3.820 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCC[N@H+](C)C(C)C)C1 ZINC001314420744 1070291986 /nfs/dbraw/zinc/29/19/86/1070291986.db2.gz LRUVCRFHBXHDFR-LJQANCHMSA-N 1 0 467.618 3.577 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCSCC2)C1 ZINC001314421644 1070294135 /nfs/dbraw/zinc/29/41/35/1070294135.db2.gz PYADDCHQPFBTIH-GOSISDBHSA-N 1 0 450.052 3.900 20 0 JHADRO CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001313215702 1070295578 /nfs/dbraw/zinc/29/55/78/1070295578.db2.gz FGKJBIKYKSPMQA-AREMUKBSSA-N 1 0 453.627 3.776 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001314421884 1070295352 /nfs/dbraw/zinc/29/53/52/1070295352.db2.gz QSZYDKHLNCOTIE-FCHUYYIVSA-N 1 0 471.646 3.708 20 0 JHADRO C[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1cccc(OC(F)(F)F)c1 ZINC001308055750 1070295882 /nfs/dbraw/zinc/29/58/82/1070295882.db2.gz FXWNAEJTEDMZTR-LLVKDONJSA-N 1 0 450.866 3.931 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001314423829 1070300075 /nfs/dbraw/zinc/30/00/75/1070300075.db2.gz ZYCLPERCFDDNNU-JTHBVZDNSA-N 1 0 455.647 3.729 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[N@H+](C)[C@H](C)CC)C1 ZINC001314424298 1070300664 /nfs/dbraw/zinc/30/06/64/1070300664.db2.gz DLXRSXKZIXNXAX-TXTKFYIRSA-N 1 0 457.619 3.774 20 0 JHADRO C[C@@H](NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1)C(=O)NCCc1ccccc1 ZINC001313246532 1070304132 /nfs/dbraw/zinc/30/41/32/1070304132.db2.gz GLSHYBVKEOGIOP-JOCHJYFZSA-N 1 0 450.627 3.868 20 0 JHADRO Cc1c(Br)cccc1CCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001313271860 1070312129 /nfs/dbraw/zinc/31/21/29/1070312129.db2.gz YVLHUBKXHZVDTO-QZTJIDSGSA-N 1 0 451.453 3.500 20 0 JHADRO Cc1csc(C[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C(=O)NCc3ccco3)C2)n1 ZINC001308104865 1070312409 /nfs/dbraw/zinc/31/24/09/1070312409.db2.gz HUESOCLVWGVJPZ-ROUUACIJSA-N 1 0 452.580 3.866 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001314432560 1070317593 /nfs/dbraw/zinc/31/75/93/1070317593.db2.gz CEYVBBMWSHZVKP-CVDCTZTESA-N 1 0 452.578 3.953 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@H+](C)C(C)C)C1 ZINC001314434006 1070319167 /nfs/dbraw/zinc/31/91/67/1070319167.db2.gz AUFIKBAVMZYNFK-OAQYLSRUSA-N 1 0 492.709 3.986 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001314434599 1070320501 /nfs/dbraw/zinc/32/05/01/1070320501.db2.gz MLSALJCUQNEJNU-DLBZAZTESA-N 1 0 465.440 3.630 20 0 JHADRO CC[C@@]1(C(=O)OC(C)(C)C)CCCN(CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C1 ZINC001308122138 1070320897 /nfs/dbraw/zinc/32/08/97/1070320897.db2.gz RKJHGCFSQOVKDW-HSZRJFAPSA-N 1 0 451.995 3.537 20 0 JHADRO CCc1cc2oc(=O)cc(CN3CCC[C@](CO)(NC(=O)OC(C)(C)C)C3)c2cc1Cl ZINC001308121836 1070321058 /nfs/dbraw/zinc/32/10/58/1070321058.db2.gz OVBBOFLRXXNMNU-QHCPKHFHSA-N 1 0 450.963 3.860 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)[C@@H](C)CC)C1 ZINC001314435102 1070321257 /nfs/dbraw/zinc/32/12/57/1070321257.db2.gz COPDFYIKQVMBRD-BHDDXSALSA-N 1 0 492.709 3.986 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)[C@@H](C)CC)C1 ZINC001314435101 1070321287 /nfs/dbraw/zinc/32/12/87/1070321287.db2.gz COPDFYIKQVMBRD-BDTNDASRSA-N 1 0 492.709 3.986 20 0 JHADRO CC(C)(C)OC(=O)N1CC(OC2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)C1 ZINC001308123864 1070321668 /nfs/dbraw/zinc/32/16/68/1070321668.db2.gz GFFILAZDJNNXHC-IBGZPJMESA-N 1 0 455.393 3.583 20 0 JHADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC001308146102 1070328809 /nfs/dbraw/zinc/32/88/09/1070328809.db2.gz UOGLNEBWALRCCK-AWEZNQCLSA-N 1 0 452.340 3.886 20 0 JHADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]C[C@@H](c3ccccc3)N3CCOCC3)sc2C1 ZINC001308191195 1070338723 /nfs/dbraw/zinc/33/87/23/1070338723.db2.gz VHEOCGRSAQWBSV-FQEVSTJZSA-N 1 0 458.628 3.599 20 0 JHADRO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC001313370875 1070339056 /nfs/dbraw/zinc/33/90/56/1070339056.db2.gz VRHJEEVQFPTBOE-INIZCTEOSA-N 1 0 451.409 3.541 20 0 JHADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001308218012 1070341648 /nfs/dbraw/zinc/34/16/48/1070341648.db2.gz ZUQFQUIHJMCIBK-FQEVSTJZSA-N 1 0 451.036 3.845 20 0 JHADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(C(F)(F)F)nc3N(C)C)cc2)C[C@@H](C)O1 ZINC001308221574 1070342549 /nfs/dbraw/zinc/34/25/49/1070342549.db2.gz KLYADKXJRFWRNC-HZPDHXFCSA-N 1 0 450.505 3.706 20 0 JHADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC001308227360 1070343139 /nfs/dbraw/zinc/34/31/39/1070343139.db2.gz FMYGBWGFNDCZCV-UHFFFAOYSA-N 1 0 450.048 3.922 20 0 JHADRO COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c2C)c1 ZINC001313386502 1070344430 /nfs/dbraw/zinc/34/44/30/1070344430.db2.gz YQKYRWQRAPKWNP-NZQKXSOJSA-N 1 0 457.619 3.557 20 0 JHADRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+]Cc1cn(C)nc1-c1cccs1)CC2 ZINC001308260148 1070347081 /nfs/dbraw/zinc/34/70/81/1070347081.db2.gz PEYBTEPUPPSQCD-UHFFFAOYSA-N 1 0 454.596 3.621 20 0 JHADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC001308263260 1070347523 /nfs/dbraw/zinc/34/75/23/1070347523.db2.gz MZMWJGGYBWCELO-UHFFFAOYSA-N 1 0 454.571 3.789 20 0 JHADRO OC[C@]1([NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)CCCN(Cc2ccccc2)C1 ZINC001308263666 1070347687 /nfs/dbraw/zinc/34/76/87/1070347687.db2.gz GCUYGLSTYNODEM-VWLOTQADSA-N 1 0 455.002 3.732 20 0 JHADRO CCOc1cc(C[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)ccc1OCC(=O)Nc1ccccc1 ZINC001308274088 1070349839 /nfs/dbraw/zinc/34/98/39/1070349839.db2.gz HUALTKKUYJIBKX-IRLDBZIGSA-N 1 0 453.583 3.839 20 0 JHADRO COc1c(Br)cccc1C[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001308279111 1070350762 /nfs/dbraw/zinc/35/07/62/1070350762.db2.gz LSKFRKVIDCDYOP-UHFFFAOYSA-N 1 0 453.402 3.542 20 0 JHADRO COc1cc([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)ccc1S(C)(=O)=O ZINC001313417271 1070353312 /nfs/dbraw/zinc/35/33/12/1070353312.db2.gz CZGCDIJGHBMWAY-FXAWDEMLSA-N 1 0 451.633 3.504 20 0 JHADRO COc1cc([C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)ccc1S(C)(=O)=O ZINC001313417274 1070353506 /nfs/dbraw/zinc/35/35/06/1070353506.db2.gz CZGCDIJGHBMWAY-YLJYHZDGSA-N 1 0 451.633 3.504 20 0 JHADRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC001308299040 1070353568 /nfs/dbraw/zinc/35/35/68/1070353568.db2.gz BXFUKBMURBFODX-CJNGLKHVSA-N 1 0 453.381 3.947 20 0 JHADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2=O)n(C)n1 ZINC001308296237 1070353622 /nfs/dbraw/zinc/35/36/22/1070353622.db2.gz XLUMCOOWBPDDDL-NHYWBVRUSA-N 1 0 457.884 3.513 20 0 JHADRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)ccc1OCc1ccc(Cl)cc1 ZINC001308299008 1070353793 /nfs/dbraw/zinc/35/37/93/1070353793.db2.gz AXDHSCMTMWTOSB-MHECFPHRSA-N 1 0 457.958 3.738 20 0 JHADRO COc1ccc(OCc2nc(CNc3cccc(C[N@@H+]4CCC[C@@H]4C(N)=O)c3)cs2)cc1 ZINC001308325084 1070356551 /nfs/dbraw/zinc/35/65/51/1070356551.db2.gz UCNLQDBZBCAXOW-JOCHJYFZSA-N 1 0 452.580 3.793 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](COC)C1 ZINC001313446419 1070362493 /nfs/dbraw/zinc/36/24/93/1070362493.db2.gz CBSCXZACPCBVDK-ZWKOTPCHSA-N 1 0 496.425 3.573 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CC)C1 ZINC001313446354 1070362530 /nfs/dbraw/zinc/36/25/30/1070362530.db2.gz BJQOCENJXLOILF-CTNGQTDRSA-N 1 0 459.660 3.849 20 0 JHADRO CNC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC001308371741 1070362943 /nfs/dbraw/zinc/36/29/43/1070362943.db2.gz XVIXHSLJEOVHPS-MRXNPFEDSA-N 1 0 456.178 3.667 20 0 JHADRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC001308370994 1070363461 /nfs/dbraw/zinc/36/34/61/1070363461.db2.gz YYTHVUOXMZULSX-UHFFFAOYSA-N 1 0 453.486 3.601 20 0 JHADRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccnc3c(Br)cccc13)CC2 ZINC001308373590 1070363892 /nfs/dbraw/zinc/36/38/92/1070363892.db2.gz BSTVMVLKKNDSNM-HNNXBMFYSA-N 1 0 456.388 3.684 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)CC1CCC1 ZINC001313447116 1070364912 /nfs/dbraw/zinc/36/49/12/1070364912.db2.gz HVVXFMYQFNIDBB-NRFANRHFSA-N 1 0 459.660 3.849 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001313446235 1070361797 /nfs/dbraw/zinc/36/17/97/1070361797.db2.gz AIMMIEONBBPLBQ-GMAHTHKFSA-N 1 0 482.673 3.911 20 0 JHADRO COc1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc(Br)c1OC(F)F ZINC001308384195 1070365272 /nfs/dbraw/zinc/36/52/72/1070365272.db2.gz FOZCTGZIWXRXGF-GUYCJALGSA-N 1 0 450.320 3.716 20 0 JHADRO Cc1ccc(-c2ncc(C[NH2+][C@@H](C(=O)N(C)Cc3nnc4n3CCC4)C(C)C)s2)cc1C ZINC001308389670 1070366748 /nfs/dbraw/zinc/36/67/48/1070366748.db2.gz LJOAMFHSAMAENI-JOCHJYFZSA-N 1 0 452.628 3.737 20 0 JHADRO CCOc1cccc(C[NH2+][C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c1 ZINC001308392729 1070367323 /nfs/dbraw/zinc/36/73/23/1070367323.db2.gz MGAHIUQIRWZBDS-SFHVURJKSA-N 1 0 453.402 3.791 20 0 JHADRO C[NH+](C)Cc1ccc(CNc2cccc(S(=O)(=O)NC(C)(C)C)c2)c2c1OC(F)(F)O2 ZINC001308396837 1070368634 /nfs/dbraw/zinc/36/86/34/1070368634.db2.gz IGYOHDAZKLWEEF-UHFFFAOYSA-N 1 0 455.527 3.759 20 0 JHADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC001308405171 1070371864 /nfs/dbraw/zinc/37/18/64/1070371864.db2.gz OHYQSIJOHNBYIE-LLVKDONJSA-N 1 0 453.324 3.960 20 0 JHADRO O=S1(=O)C[C@@H](C[NH2+]Cc2cc(Br)sc2Br)c2ccccc21 ZINC001308414471 1070372231 /nfs/dbraw/zinc/37/22/31/1070372231.db2.gz MJHGPWUDSAGFJS-SNVBAGLBSA-N 1 0 451.205 3.934 20 0 JHADRO CCOCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001314464768 1070374846 /nfs/dbraw/zinc/37/48/46/1070374846.db2.gz NNAJLSUJFHDURN-LJQANCHMSA-N 1 0 467.456 3.639 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001313449616 1070374995 /nfs/dbraw/zinc/37/49/95/1070374995.db2.gz XGQDLDMVZNRCEE-UXHICEINSA-N 1 0 489.064 3.977 20 0 JHADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001308416611 1070373165 /nfs/dbraw/zinc/37/31/65/1070373165.db2.gz JYYWSQJSHUMZES-UHFFFAOYSA-N 1 0 455.603 3.543 20 0 JHADRO COc1cc(C[NH2+]C2(Cc3ccc(Cl)cc3)CCC2)ccc1OCC(=O)N1CCOCC1 ZINC001308419703 1070373231 /nfs/dbraw/zinc/37/32/31/1070373231.db2.gz CRFQLQROVMRYNV-UHFFFAOYSA-N 1 0 458.986 3.841 20 0 JHADRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC001308428310 1070374222 /nfs/dbraw/zinc/37/42/22/1070374222.db2.gz STZMOWBWCQUNFA-CYBMUJFWSA-N 1 0 457.394 3.626 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCO1 ZINC001313449810 1070375793 /nfs/dbraw/zinc/37/57/93/1070375793.db2.gz JUEFFUVHLCIYTH-FDFHNCONSA-N 1 0 490.693 3.882 20 0 JHADRO CCCOc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC001308449616 1070376695 /nfs/dbraw/zinc/37/66/95/1070376695.db2.gz YYOKSMYSASCRON-ZDUSSCGKSA-N 1 0 458.198 3.776 20 0 JHADRO COc1cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)ccc1OCCOc1ccccc1Cl ZINC001308456603 1070378005 /nfs/dbraw/zinc/37/80/05/1070378005.db2.gz JYRZQPKNQSOCEH-FUHWJXTLSA-N 1 0 453.988 3.862 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC(C)C ZINC001313451166 1070379207 /nfs/dbraw/zinc/37/92/07/1070379207.db2.gz RPYSXCQIWZEWPD-LEWJYISDSA-N 1 0 478.682 3.943 20 0 JHADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NCc2ccsc2Cl)c1 ZINC001308508887 1070382963 /nfs/dbraw/zinc/38/29/63/1070382963.db2.gz RCBSMERUUXVKJO-UHFFFAOYSA-N 1 0 457.065 3.796 20 0 JHADRO CCn1c(Br)c(Br)nc1C[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC001308509742 1070383761 /nfs/dbraw/zinc/38/37/61/1070383761.db2.gz GOZIFIDSASKVPW-NSHDSACASA-N 1 0 451.590 3.947 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001313452924 1070384225 /nfs/dbraw/zinc/38/42/25/1070384225.db2.gz QVAJZQGGUYVFNB-GOTSBHOMSA-N 1 0 452.647 3.547 20 0 JHADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001308517630 1070384103 /nfs/dbraw/zinc/38/41/03/1070384103.db2.gz CPAUVBGLUXYLQK-UHFFFAOYSA-N 1 0 452.502 3.777 20 0 JHADRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001308514697 1070384187 /nfs/dbraw/zinc/38/41/87/1070384187.db2.gz PSMWDDCVJXDBSO-SFFMRIQBSA-N 1 0 459.539 3.987 20 0 JHADRO COCOc1ccc(OC)cc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001308518372 1070384741 /nfs/dbraw/zinc/38/47/41/1070384741.db2.gz DMKPLYGYJWROCP-LJQANCHMSA-N 1 0 450.576 3.574 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313453138 1070385032 /nfs/dbraw/zinc/38/50/32/1070385032.db2.gz PZECRBHKGHKWSN-AEFFLSMTSA-N 1 0 495.455 3.740 20 0 JHADRO CCOCCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001314474653 1070386012 /nfs/dbraw/zinc/38/60/12/1070386012.db2.gz ISEARQZSZQLVQI-VXKWHMMOSA-N 1 0 492.709 3.987 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC001308563272 1070390531 /nfs/dbraw/zinc/39/05/31/1070390531.db2.gz WSIVIHNAAWEADZ-PKOBYXMFSA-N 1 0 452.437 3.803 20 0 JHADRO CCCn1nc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC[N@H+](C)[C@@H](C)CC)c2ccccc2c1=O ZINC001313453867 1070386684 /nfs/dbraw/zinc/38/66/84/1070386684.db2.gz XHRZBJGAFBPPGO-RBUKOAKNSA-N 1 0 483.686 3.737 20 0 JHADRO OCCOC1(C[NH2+]Cc2ccc(F)cc2I)CCC(C(F)F)CC1 ZINC001308536733 1070387282 /nfs/dbraw/zinc/38/72/82/1070387282.db2.gz JRCYJWHUUALDPD-UHFFFAOYSA-N 1 0 457.274 3.723 20 0 JHADRO CCOCCN(CC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314477094 1070387558 /nfs/dbraw/zinc/38/75/58/1070387558.db2.gz ZZEHLLMYMXVELQ-RTBURBONSA-N 1 0 467.618 3.577 20 0 JHADRO CCOCCN(CC)c1nnc([C@H]2CCCO2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001314478386 1070388759 /nfs/dbraw/zinc/38/87/59/1070388759.db2.gz ZPUJKJAYMLZDEZ-HXUWFJFHSA-N 1 0 451.681 3.744 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001313457984 1070400865 /nfs/dbraw/zinc/40/08/65/1070400865.db2.gz QVWXWGWNRJFBKW-TZIWHRDSSA-N 1 0 458.626 3.760 20 0 JHADRO CCC(CC)(CNC(=O)OC(C)(C)C)C[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC001308645430 1070409132 /nfs/dbraw/zinc/40/91/32/1070409132.db2.gz LEQBRFRNRAEQMZ-UHFFFAOYSA-N 1 0 456.635 3.661 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)SC)C[C@@H]1CC ZINC001314495245 1070412706 /nfs/dbraw/zinc/41/27/06/1070412706.db2.gz GNRLSMDPXZNIKB-FQEVSTJZSA-N 1 0 489.686 3.795 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCC(C(F)(F)F)CC2)C[C@@H]1CC ZINC001314495282 1070412948 /nfs/dbraw/zinc/41/29/48/1070412948.db2.gz GJKLFAXKWHCIMC-MNLRITNHSA-N 1 0 497.610 3.984 20 0 JHADRO CN(Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308663709 1070413269 /nfs/dbraw/zinc/41/32/69/1070413269.db2.gz STYQGIPFDDHSDZ-VXKWHMMOSA-N 1 0 454.619 3.556 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(Cl)s2)C[C@@H]1CC ZINC001314495639 1070414435 /nfs/dbraw/zinc/41/44/35/1070414435.db2.gz JMPAHKVAQGUAGX-KRWDZBQOSA-N 1 0 476.050 3.630 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCCCCC2)C[C@H]1CC ZINC001314495636 1070414587 /nfs/dbraw/zinc/41/45/87/1070414587.db2.gz JPBIZJVRBTWQFU-XMMPIXPASA-N 1 0 496.700 3.983 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cc(C)nn2C)C[C@H]1CC ZINC001314496311 1070417048 /nfs/dbraw/zinc/41/70/48/1070417048.db2.gz HTPGWBFICJABCW-OAQYLSRUSA-N 1 0 472.037 3.626 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CC(=O)Nc2c(C)cccc2C)C[C@@H]1CC ZINC001314496695 1070418987 /nfs/dbraw/zinc/41/89/87/1070418987.db2.gz RRFXNMBMIPAQNF-QFIPXVFZSA-N 1 0 491.640 3.533 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCSC2)C[C@H]1CC ZINC001314496923 1070419805 /nfs/dbraw/zinc/41/98/05/1070419805.db2.gz NVZFGQSSRONVGD-TZIWHRDSSA-N 1 0 459.660 3.644 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC001308693199 1070420022 /nfs/dbraw/zinc/42/00/22/1070420022.db2.gz ATDUSTWANYEOLA-IVPXXNPKSA-N 1 0 450.542 3.864 20 0 JHADRO CN(C)Cc1ccc(NC2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)cc1Br ZINC001308693506 1070420318 /nfs/dbraw/zinc/42/03/18/1070420318.db2.gz DBDAYHHXOSGMBX-UHFFFAOYSA-N 1 0 455.441 3.912 20 0 JHADRO COC(=O)[C@@H]1[C@@H](C[NH+]2CCC(c3nc(-c4ccccc4Br)no3)CC2)C1(F)F ZINC001308737101 1070428277 /nfs/dbraw/zinc/42/82/77/1070428277.db2.gz XXHDUFGAGOIIQZ-HIFRSBDPSA-N 1 0 456.287 3.733 20 0 JHADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC001308718398 1070425137 /nfs/dbraw/zinc/42/51/37/1070425137.db2.gz AWZOYNBARYGAIK-DVECYGJZSA-N 1 0 458.562 3.945 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC001308735089 1070428420 /nfs/dbraw/zinc/42/84/20/1070428420.db2.gz WFURKAUKNSOGCY-SANMLTNESA-N 1 0 453.583 3.952 20 0 JHADRO CC(=O)N(c1nc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cs1)c1cccc(Cl)c1 ZINC001308740380 1070429329 /nfs/dbraw/zinc/42/93/29/1070429329.db2.gz JGTAFULGPAMOEN-UHFFFAOYSA-N 1 0 450.052 3.939 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)CC)C[C@@H]1CC ZINC001314500186 1070429824 /nfs/dbraw/zinc/42/98/24/1070429824.db2.gz TXIOPHORIFEKGR-IBGZPJMESA-N 1 0 481.645 3.967 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC=CO2)C[C@@H]1CC ZINC001314500109 1070429889 /nfs/dbraw/zinc/42/98/89/1070429889.db2.gz QPQYOCBFUTZESQ-XZOQPEGZSA-N 1 0 457.594 3.638 20 0 JHADRO CCOCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001314500657 1070431553 /nfs/dbraw/zinc/43/15/53/1070431553.db2.gz XDWRJFSGYPWUSW-QHCPKHFHSA-N 1 0 489.108 3.801 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3c[nH]c4ccccc34)n2CCC[N@H+](C)C(C)C)C1 ZINC001313465570 1070434018 /nfs/dbraw/zinc/43/40/18/1070434018.db2.gz ZNITWCJVSYPNOY-HXUWFJFHSA-N 1 0 465.646 3.899 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001313465928 1070435279 /nfs/dbraw/zinc/43/52/79/1070435279.db2.gz QJCSCPGFUPWDFH-GGAORHGYSA-N 1 0 474.694 3.917 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC001308771317 1070435638 /nfs/dbraw/zinc/43/56/38/1070435638.db2.gz DRPOURBDHUOOFV-PKTZIBPZSA-N 1 0 457.615 3.817 20 0 JHADRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cc2c(OC)cc(OC)cc2OC)cc1Br ZINC001308774598 1070435771 /nfs/dbraw/zinc/43/57/71/1070435771.db2.gz VBCRZGBFRBSMCM-ZDUSSCGKSA-N 1 0 452.345 3.982 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc3c[nH]nc3c2)C[C@H]1CC ZINC001314502491 1070437526 /nfs/dbraw/zinc/43/75/26/1070437526.db2.gz ZSOVHNKZROZPFT-JOCHJYFZSA-N 1 0 467.662 3.923 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)C1 ZINC001308762393 1070433426 /nfs/dbraw/zinc/43/34/26/1070433426.db2.gz OLNPOYUULXALSA-RPBOFIJWSA-N 1 0 456.587 3.648 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001313466316 1070438524 /nfs/dbraw/zinc/43/85/24/1070438524.db2.gz QHZSLYBGMHLLCW-JTHBVZDNSA-N 1 0 484.664 3.871 20 0 JHADRO COC(=O)c1cc(Br)oc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001308812832 1070442162 /nfs/dbraw/zinc/44/21/62/1070442162.db2.gz ZRIZIQKKHVHXHI-MELADBBJSA-N 1 0 457.365 3.954 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314505507 1070448859 /nfs/dbraw/zinc/44/88/59/1070448859.db2.gz WCVDYOKJSUNHJV-SFHVURJKSA-N 1 0 480.078 3.734 20 0 JHADRO COc1cc(C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c(Br)cc1O ZINC001308852110 1070449285 /nfs/dbraw/zinc/44/92/85/1070449285.db2.gz VKGFYPRNWHCPNY-GFCCVEGCSA-N 1 0 451.308 3.898 20 0 JHADRO COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)o1 ZINC001308868371 1070451557 /nfs/dbraw/zinc/45/15/57/1070451557.db2.gz ADXQBWPFEWBJRG-GOSISDBHSA-N 1 0 456.539 3.991 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001314506441 1070451606 /nfs/dbraw/zinc/45/16/06/1070451606.db2.gz XQPQSXNRZHMIJV-NRFANRHFSA-N 1 0 492.462 3.825 20 0 JHADRO CC(C)(C)OC(=O)NCc1cn(-c2cccc(C[NH2+]C[C@H]3C[C@@]3(C)Br)c2)nn1 ZINC001308886261 1070454885 /nfs/dbraw/zinc/45/48/85/1070454885.db2.gz IDIHBSFCKZGMRI-FOIQADDNSA-N 1 0 450.381 3.555 20 0 JHADRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 ZINC001308886629 1070455054 /nfs/dbraw/zinc/45/50/54/1070455054.db2.gz NCVDLFQVRRXZNB-KRWDZBQOSA-N 1 0 459.591 3.750 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001313469801 1070455319 /nfs/dbraw/zinc/45/53/19/1070455319.db2.gz GYBUOCZLQMPIKP-XMMPIXPASA-N 1 0 493.631 3.833 20 0 JHADRO CCOC(=O)Cn1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)c(-c2cccnc2)n1 ZINC001308894873 1070455728 /nfs/dbraw/zinc/45/57/28/1070455728.db2.gz RRZXPMYCDLODCQ-IBGZPJMESA-N 1 0 457.937 3.669 20 0 JHADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21 ZINC001308907240 1070457619 /nfs/dbraw/zinc/45/76/19/1070457619.db2.gz ZMNXUXMOXARKOD-JLTOFOAXSA-N 1 0 451.420 3.827 20 0 JHADRO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 ZINC001308906956 1070457701 /nfs/dbraw/zinc/45/77/01/1070457701.db2.gz HSQGTSXGJVBBNS-DLBZAZTESA-N 1 0 452.555 3.635 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001314508828 1070460284 /nfs/dbraw/zinc/46/02/84/1070460284.db2.gz IPWQDGNKFZQKQK-HXUWFJFHSA-N 1 0 484.670 3.587 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC001308958152 1070466289 /nfs/dbraw/zinc/46/62/89/1070466289.db2.gz JZUPWNVERQHTTD-HSZRJFAPSA-N 1 0 451.633 3.551 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001313471285 1070460915 /nfs/dbraw/zinc/46/09/15/1070460915.db2.gz FTNLDNJJMBUDDU-IBGZPJMESA-N 1 0 486.020 3.632 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001314510542 1070467242 /nfs/dbraw/zinc/46/72/42/1070467242.db2.gz YMVXWWVQZFHUQH-UHFFFAOYSA-N 1 0 467.724 3.925 20 0 JHADRO Cn1c(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)cc(=O)n1-c1ccccc1 ZINC001308967032 1070468399 /nfs/dbraw/zinc/46/83/99/1070468399.db2.gz INUHPGJTOMOXCI-DENIHFKCSA-N 1 0 455.400 3.864 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314511104 1070468425 /nfs/dbraw/zinc/46/84/25/1070468425.db2.gz IMCRNGBGVKCFRB-OAQYLSRUSA-N 1 0 479.735 3.926 20 0 JHADRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(N3CCC(C(=O)OC(C)(C)C)CC3)o1)CCO2 ZINC001308973868 1070469434 /nfs/dbraw/zinc/46/94/34/1070469434.db2.gz HIXQHOSMSMQHJB-JWQCQUIFSA-N 1 0 464.603 3.630 20 0 JHADRO CC(C)(C)OC(=O)N(CCO)[C@@H]1CCC[N@H+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001308989075 1070471695 /nfs/dbraw/zinc/47/16/95/1070471695.db2.gz ZJPKBJMDTQUQNN-NTKDMRAZSA-N 1 0 455.640 3.717 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001314514388 1070483490 /nfs/dbraw/zinc/48/34/90/1070483490.db2.gz ZJYLECVRMDGSKV-DENIHFKCSA-N 1 0 485.654 3.771 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314515228 1070485495 /nfs/dbraw/zinc/48/54/95/1070485495.db2.gz FHPDINHXSDDENM-NHCUHLMSSA-N 1 0 498.697 3.873 20 0 JHADRO O=S(=O)(c1cc(Cl)c(Cl)cc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC001309018233 1070486802 /nfs/dbraw/zinc/48/68/02/1070486802.db2.gz MKLYUESJVSJVKG-UHFFFAOYSA-N 1 0 451.173 3.662 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314519413 1070501681 /nfs/dbraw/zinc/50/16/81/1070501681.db2.gz VRBYJUATMCGMGY-SFHVURJKSA-N 1 0 465.639 3.608 20 0 JHADRO CCCNC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001313486693 1070503635 /nfs/dbraw/zinc/50/36/35/1070503635.db2.gz XUDTWJLZABPEOC-VDKIKQQVSA-N 1 0 496.700 3.824 20 0 JHADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC001309060164 1070514516 /nfs/dbraw/zinc/51/45/16/1070514516.db2.gz KPDQGGMQNSCIJV-UHFFFAOYSA-N 1 0 453.992 3.626 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001313501214 1070523801 /nfs/dbraw/zinc/52/38/01/1070523801.db2.gz COFHRCMYTXOACE-SFTDATJTSA-N 1 0 498.672 3.530 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@](C)(C(=O)NC)C3)n2C[C@H]2CCCC[N@@H+]2CC)cc1OC ZINC001313502663 1070529852 /nfs/dbraw/zinc/52/98/52/1070529852.db2.gz KORAWWPOQWPYTF-ZBLYBZFDSA-N 1 0 498.672 3.579 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001313502726 1070530246 /nfs/dbraw/zinc/53/02/46/1070530246.db2.gz LGDMNUCBWAIISG-CCLHPLFOSA-N 1 0 498.672 3.565 20 0 JHADRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C(C)(C)C(=O)OC)cc1 ZINC001309088013 1070531411 /nfs/dbraw/zinc/53/14/11/1070531411.db2.gz PJBGNYNNAMMGTM-KNQAVFIVSA-N 1 0 458.624 3.983 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CC(=O)NC(C)C)cc1OC ZINC001313502975 1070531377 /nfs/dbraw/zinc/53/13/77/1070531377.db2.gz AAKIOSLMHMUROT-UHFFFAOYSA-N 1 0 498.672 3.722 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001309091053 1070534030 /nfs/dbraw/zinc/53/40/30/1070534030.db2.gz QCTRCASEGNYNHV-PMACEKPBSA-N 1 0 455.393 3.838 20 0 JHADRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C2(C(=O)OC)CC2)cc1 ZINC001309089011 1070532261 /nfs/dbraw/zinc/53/22/61/1070532261.db2.gz YVNRDSSFAJVTDB-DENIHFKCSA-N 1 0 456.608 3.737 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2c(C)nn(C)c2C)cc1OC ZINC001313504389 1070537852 /nfs/dbraw/zinc/53/78/52/1070537852.db2.gz GGQDJMYJVMPLKG-UHFFFAOYSA-N 1 0 481.645 3.672 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC001313504600 1070538942 /nfs/dbraw/zinc/53/89/42/1070538942.db2.gz NNTSAIXOAIIBOH-HRAATJIYSA-N 1 0 497.562 3.993 20 0 JHADRO CCS(=O)(=O)N(C)CCCn1c(C2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001314544029 1070544039 /nfs/dbraw/zinc/54/40/39/1070544039.db2.gz YQLJXGDPTDPMJJ-JOCHJYFZSA-N 1 0 494.750 3.556 20 0 JHADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001309100877 1070540488 /nfs/dbraw/zinc/54/04/88/1070540488.db2.gz QWADYUXKBYOSEL-CHWSQXEVSA-N 1 0 451.402 3.632 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCC(=O)NC(C)(C)C)cc1OC ZINC001313505145 1070541638 /nfs/dbraw/zinc/54/16/38/1070541638.db2.gz XIFDNMBHURXPKO-TZIWHRDSSA-N 1 0 498.672 3.720 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@](C)(O)c2ccco2)cc1OC ZINC001313505669 1070544962 /nfs/dbraw/zinc/54/49/62/1070544962.db2.gz LHHJRZZAJQKKPI-SANMLTNESA-N 1 0 483.613 3.774 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC(NC(C)=O)CC3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1OC ZINC001313505876 1070545596 /nfs/dbraw/zinc/54/55/96/1070545596.db2.gz OUJDKZAGRYBENQ-QHCPKHFHSA-N 1 0 498.672 3.722 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2C[C@@H](C)OC)cc1OC ZINC001313506932 1070550508 /nfs/dbraw/zinc/55/05/08/1070550508.db2.gz RIUBXZZGQHGKFL-CTNGQTDRSA-N 1 0 457.619 3.842 20 0 JHADRO CC[S@](=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001314560754 1070562424 /nfs/dbraw/zinc/56/24/24/1070562424.db2.gz UUWUJGMORAGNPC-UPTQXZAWSA-N 1 0 480.078 3.905 20 0 JHADRO CCCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1OC ZINC001313512953 1070565550 /nfs/dbraw/zinc/56/55/50/1070565550.db2.gz ZUMKDZXAWKOSIB-FCHUYYIVSA-N 1 0 495.672 3.904 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC001313513045 1070566041 /nfs/dbraw/zinc/56/60/41/1070566041.db2.gz CJTNTSSUBATSCS-ZVDOUQERSA-N 1 0 475.609 3.505 20 0 JHADRO CC[S@@](=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314565190 1070569632 /nfs/dbraw/zinc/56/96/32/1070569632.db2.gz ZWFUKPKFXVDJKD-GFJKYASSSA-N 1 0 455.628 3.716 20 0 JHADRO CCCOc1cccc(CCn2c(C)nnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC001313515697 1070574190 /nfs/dbraw/zinc/57/41/90/1070574190.db2.gz MINKUSYWCNWNCK-WIOPSUGQSA-N 1 0 465.646 3.871 20 0 JHADRO CC(=O)N1c2ccc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCCCC3)cc2C[C@@H]1C ZINC001309176953 1070585914 /nfs/dbraw/zinc/58/59/14/1070585914.db2.gz OGQQKDJEZZNVRA-IBGZPJMESA-N 1 0 455.624 3.839 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)n1 ZINC001314577574 1070587040 /nfs/dbraw/zinc/58/70/40/1070587040.db2.gz QJPULDLAUVJRRD-KRWDZBQOSA-N 1 0 477.679 3.844 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001313523167 1070594119 /nfs/dbraw/zinc/59/41/19/1070594119.db2.gz NCEQWGREYZRJHH-LEWJYISDSA-N 1 0 488.702 3.930 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC001309183988 1070591284 /nfs/dbraw/zinc/59/12/84/1070591284.db2.gz MHSAKENPTOQVFS-BBRMVZONSA-N 1 0 453.830 3.518 20 0 JHADRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2csnc2-c2ccccc2)CCOCC1)c1ccccc1 ZINC001309184687 1070591801 /nfs/dbraw/zinc/59/18/01/1070591801.db2.gz RVBGMBHWYXMYEI-SFHVURJKSA-N 1 0 457.621 3.988 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3ccc[nH]3)n2CC2(SC)CC[NH+](C)CC2)n1 ZINC001314584938 1070603967 /nfs/dbraw/zinc/60/39/67/1070603967.db2.gz VQYLZCUMWNQNCJ-INIZCTEOSA-N 1 0 490.703 3.934 20 0 JHADRO COC(=O)[C@@H](CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1)CC(C)C ZINC001309201316 1070602862 /nfs/dbraw/zinc/60/28/62/1070602862.db2.gz KSAHPAHCFSGEPZ-DSNGMDLFSA-N 1 0 472.651 3.718 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001314587690 1070611545 /nfs/dbraw/zinc/61/15/45/1070611545.db2.gz DXZFJBYDCQHTEP-HSALFYBXSA-N 1 0 450.697 3.649 20 0 JHADRO CCS[C@H]1CC[C@@H](N(C)c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001314588901 1070614081 /nfs/dbraw/zinc/61/40/81/1070614081.db2.gz NFQBTHUITDWFMV-YADHBBJMSA-N 1 0 488.677 3.896 20 0 JHADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(F)cc1C ZINC001309221271 1070620527 /nfs/dbraw/zinc/62/05/27/1070620527.db2.gz YNUZOHIYWOBLDK-FOIQADDNSA-N 1 0 454.589 3.734 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cnccn3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001314592564 1070625222 /nfs/dbraw/zinc/62/52/22/1070625222.db2.gz AFBUWVALUBQAKW-LEWJYISDSA-N 1 0 451.644 3.955 20 0 JHADRO CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc21 ZINC001309247692 1070642376 /nfs/dbraw/zinc/64/23/76/1070642376.db2.gz AFOBMQYJVSBQIY-JXQFQVJHSA-N 1 0 455.624 3.736 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001314598065 1070642690 /nfs/dbraw/zinc/64/26/90/1070642690.db2.gz IAYDRUQXFWNZOL-UXHICEINSA-N 1 0 479.094 3.952 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001313545523 1070650864 /nfs/dbraw/zinc/65/08/64/1070650864.db2.gz VWAKGTRLGIDUAQ-UHFFFAOYSA-N 1 0 469.634 3.761 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccn3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001314601439 1070653037 /nfs/dbraw/zinc/65/30/37/1070653037.db2.gz UGASLVZCTBWQGY-QHAWAJNXSA-N 1 0 460.692 3.895 20 0 JHADRO O=S(=O)([C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)N1CC(OCC(F)F)C1 ZINC001309295017 1070677216 /nfs/dbraw/zinc/67/72/16/1070677216.db2.gz UMEKYPOZZBJHDP-LEWJYISDSA-N 1 0 470.969 3.604 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)CC(C)(C)C)c1 ZINC001313571784 1070685974 /nfs/dbraw/zinc/68/59/74/1070685974.db2.gz HKNRTBUWIHPGFF-UHFFFAOYSA-N 1 0 452.603 3.988 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001313571786 1070686089 /nfs/dbraw/zinc/68/60/89/1070686089.db2.gz HLAWJXDYFKHITO-UHFFFAOYSA-N 1 0 456.635 3.959 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C)C2)c1 ZINC001313574805 1070689675 /nfs/dbraw/zinc/68/96/75/1070689675.db2.gz MJHWHYRFXPDAAS-UEVCKROQSA-N 1 0 455.647 3.922 20 0 JHADRO CCSCCCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314618078 1070691209 /nfs/dbraw/zinc/69/12/09/1070691209.db2.gz OXZXGMTXTMXWOE-OAQYLSRUSA-N 1 0 451.644 3.979 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3nnc(C)o3)C2)c1 ZINC001313575514 1070691319 /nfs/dbraw/zinc/69/13/19/1070691319.db2.gz PSMIMCOVLFCZEG-OAQYLSRUSA-N 1 0 467.618 3.636 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(C[N@H+](C)CC)c3)CCO2)cn1 ZINC001313575932 1070692023 /nfs/dbraw/zinc/69/20/23/1070692023.db2.gz VYOUJTOGBGMUPD-QHCPKHFHSA-N 1 0 465.646 3.870 20 0 JHADRO Cc1cnn(-c2ccc(S(=O)(=O)NCC[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cc2F)c1 ZINC001309322795 1070698027 /nfs/dbraw/zinc/69/80/27/1070698027.db2.gz QEDRSGWXUGDLIJ-CTNGQTDRSA-N 1 0 456.587 3.899 20 0 JHADRO CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1([NH+](C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313579549 1070699155 /nfs/dbraw/zinc/69/91/55/1070699155.db2.gz MBVRAUNMHONJQU-IEBWSBKVSA-N 1 0 496.077 3.569 20 0 JHADRO CCOC(=O)c1cc(S(=O)(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cnc1C(F)F ZINC001309337527 1070707635 /nfs/dbraw/zinc/70/76/35/1070707635.db2.gz CVCBDIGQIZPHCQ-UHFFFAOYSA-N 1 0 459.559 3.517 20 0 JHADRO CCN(c1nnc(-c2ccccc2F)n1CCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001313593286 1070720566 /nfs/dbraw/zinc/72/05/66/1070720566.db2.gz SKOHIAIXPXXKDM-VQTJNVASSA-N 1 0 477.650 3.752 20 0 JHADRO C[C@@H]1C[NH+](CCOc2ccc(CCNS(=O)(=O)CC3Cc4ccccc4C3)cc2)C[C@H]1C ZINC001309358254 1070720590 /nfs/dbraw/zinc/72/05/90/1070720590.db2.gz WUMWLEOKOZKUMZ-NHCUHLMSSA-N 1 0 456.652 3.530 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(CCCc2ccccc2)nnc1N1CCC(F)(F)CC1 ZINC001314627641 1070720963 /nfs/dbraw/zinc/72/09/63/1070720963.db2.gz BZNMXLFAWFRFBU-QFIPXVFZSA-N 1 0 488.627 3.632 20 0 JHADRO CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H](C)[NH+](C)C)[C@H](C)C1CCC1 ZINC001313599677 1070724115 /nfs/dbraw/zinc/72/41/15/1070724115.db2.gz WWDUBQPQHRCBCC-QZTJIDSGSA-N 1 0 451.619 3.640 20 0 JHADRO CCN(c1nnc(C2CCCC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001313599523 1070724126 /nfs/dbraw/zinc/72/41/26/1070724126.db2.gz LTKRMYJWFRIVFB-NZQKXSOJSA-N 1 0 473.687 3.860 20 0 JHADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC001309363670 1070724618 /nfs/dbraw/zinc/72/46/18/1070724618.db2.gz WKUFUNMSHUTONE-CYBMUJFWSA-N 1 0 458.447 3.923 20 0 JHADRO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC[NH+]1CCC(C)CC1)[C@H](C)C1CCC1 ZINC001313602924 1070725673 /nfs/dbraw/zinc/72/56/73/1070725673.db2.gz BXBLFCRDGPGALX-IFMALSPDSA-N 1 0 465.708 3.707 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1ccccn1 ZINC001314629126 1070725963 /nfs/dbraw/zinc/72/59/63/1070725963.db2.gz NHKDOARIIRZKDY-QFIPXVFZSA-N 1 0 482.032 3.573 20 0 JHADRO CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC001313603799 1070727061 /nfs/dbraw/zinc/72/70/61/1070727061.db2.gz HBNIFJDPIGRZFE-QFIPXVFZSA-N 1 0 490.693 3.738 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N(C)CCc2ccc(Cl)cc2)nnc1C(C)(C)C ZINC001314629755 1070728691 /nfs/dbraw/zinc/72/86/91/1070728691.db2.gz TWXUTBZNIGVFGJ-NRFANRHFSA-N 1 0 475.081 3.851 20 0 JHADRO CN(C)C(=O)CCCn1c(-c2ccccc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001314632427 1070734933 /nfs/dbraw/zinc/73/49/33/1070734933.db2.gz QVGUSJSNTDAQCC-UHFFFAOYSA-N 1 0 452.647 3.906 20 0 JHADRO CN(C)C(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001314637305 1070741475 /nfs/dbraw/zinc/74/14/75/1070741475.db2.gz VNYKJIRXUWEDBM-NRFANRHFSA-N 1 0 486.636 3.567 20 0 JHADRO CCN(c1nnc(Cn2nc(C)cc2C)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)C1CCC1 ZINC001313617602 1070741593 /nfs/dbraw/zinc/74/15/93/1070741593.db2.gz NOYQHBGTIFGYRF-BDTNDASRSA-N 1 0 457.667 3.654 20 0 JHADRO CCN(c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC001313619243 1070744795 /nfs/dbraw/zinc/74/47/95/1070744795.db2.gz JHDSQJNJPRYBDH-DEOSSOPVSA-N 1 0 459.660 3.805 20 0 JHADRO CN(C)C(=O)Nc1ccc(Cn2c(C3CCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001314647368 1070749331 /nfs/dbraw/zinc/74/93/31/1070749331.db2.gz RVHPVHHBKXEAEF-UHFFFAOYSA-N 1 0 453.635 3.998 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1)C1CC1 ZINC001314647303 1070749610 /nfs/dbraw/zinc/74/96/10/1070749610.db2.gz QCOGESYCJGOBHK-HXUWFJFHSA-N 1 0 489.064 3.596 20 0 JHADRO CN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CCOC1 ZINC001314647469 1070750063 /nfs/dbraw/zinc/75/00/63/1070750063.db2.gz BUBXEILQQDIQFZ-KGLIPLIRSA-N 1 0 466.405 3.890 20 0 JHADRO CCN(CC(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001313623923 1070752512 /nfs/dbraw/zinc/75/25/12/1070752512.db2.gz GMIMIIMGCBKWRR-QFIPXVFZSA-N 1 0 468.646 3.842 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314649317 1070754950 /nfs/dbraw/zinc/75/49/50/1070754950.db2.gz URAGADCQVKUXNP-GGAORHGYSA-N 1 0 495.647 3.857 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OCC(N)=O)CC1)c1ccco1 ZINC001314649324 1070755665 /nfs/dbraw/zinc/75/56/65/1070755665.db2.gz UXFQBQACPJKYNS-JOCHJYFZSA-N 1 0 494.640 3.609 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CCCO)CC1)c1cccc(F)c1 ZINC001314650357 1070758761 /nfs/dbraw/zinc/75/87/61/1070758761.db2.gz HWBCIUORYDABPN-GOTSBHOMSA-N 1 0 459.610 3.951 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314650648 1070759230 /nfs/dbraw/zinc/75/92/30/1070759230.db2.gz KUXYTMGTZYSODN-CEXWTWQISA-N 1 0 490.674 3.640 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)CCSC1 ZINC001314651306 1070760736 /nfs/dbraw/zinc/76/07/36/1070760736.db2.gz BVOMXLNZQVFJHF-OAQYLSRUSA-N 1 0 497.591 3.532 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314653729 1070766595 /nfs/dbraw/zinc/76/65/95/1070766595.db2.gz OHFXWDDPNPGGOX-YADHBBJMSA-N 1 0 458.695 3.829 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)c1ccccc1 ZINC001314652448 1070762996 /nfs/dbraw/zinc/76/29/96/1070762996.db2.gz ZBUHMKGTWPPLTN-LJQANCHMSA-N 1 0 479.526 3.599 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1cnc(Cl)c(Br)c1)C1CC1 ZINC001309425985 1070763250 /nfs/dbraw/zinc/76/32/50/1070763250.db2.gz AMOZSKQHHPADHC-QGZVFWFLSA-N 1 0 458.809 3.686 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)nnc1C(C)(C)C)C1CC1 ZINC001314652517 1070763591 /nfs/dbraw/zinc/76/35/91/1070763591.db2.gz IMTFNRHGXKSNPS-NRFANRHFSA-N 1 0 473.065 3.922 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1)c1ccsc1 ZINC001314653904 1070767058 /nfs/dbraw/zinc/76/70/58/1070767058.db2.gz PEHVENSDEKHCEV-OALUTQOASA-N 1 0 476.647 3.551 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CC(F)(F)F)CC2)CCCC1 ZINC001314653141 1070764867 /nfs/dbraw/zinc/76/48/67/1070764867.db2.gz KQRBKVNCVOZVAQ-UHFFFAOYSA-N 1 0 471.959 3.552 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1)C1CCCCC1 ZINC001314653304 1070765355 /nfs/dbraw/zinc/76/53/55/1070765355.db2.gz MGAAABZNZTZQON-BHIFYINESA-N 1 0 490.693 3.786 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCSCC2)CCSC1 ZINC001314653146 1070765380 /nfs/dbraw/zinc/76/53/80/1070765380.db2.gz KRBACMQWXNBCII-IBGZPJMESA-N 1 0 486.480 3.837 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3F)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CCCCC1 ZINC001314653348 1070766003 /nfs/dbraw/zinc/76/60/03/1070766003.db2.gz MYQMOGCKALUQBR-IBGZPJMESA-N 1 0 477.650 3.752 20 0 JHADRO Cn1cc(Br)cc1-c1nnc(N2CCSCC2)n1CC1([NH+](C)C)CCCCC1 ZINC001314653982 1070767793 /nfs/dbraw/zinc/76/77/93/1070767793.db2.gz UMLJIDDHLYOMMD-UHFFFAOYSA-N 1 0 467.481 3.864 20 0 JHADRO CCN(CC)C(=O)c1ccc(Cn2c(N3CCC[C@H](C[NH+]4CCOCC4)C3)nnc2C(C)(C)C)cc1 ZINC001313634976 1070768732 /nfs/dbraw/zinc/76/87/32/1070768732.db2.gz BZKPESPWSSWXOH-HSZRJFAPSA-N 1 0 496.700 3.655 20 0 JHADRO C[NH+](C)[C@H](Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001314654664 1070769670 /nfs/dbraw/zinc/76/96/70/1070769670.db2.gz VQHQHXBUTLJBQJ-NHCUHLMSSA-N 1 0 486.661 3.608 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001314655784 1070773370 /nfs/dbraw/zinc/77/33/70/1070773370.db2.gz NEPWFVNWWMEZCE-PKTZIBPZSA-N 1 0 497.688 3.878 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001314655897 1070773798 /nfs/dbraw/zinc/77/37/98/1070773798.db2.gz UTMOTRYJUZBJIB-YADHBBJMSA-N 1 0 452.647 3.665 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2cc3ccccc3o2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313636712 1070773922 /nfs/dbraw/zinc/77/39/22/1070773922.db2.gz IZZUWUKTNCLQEH-LJQANCHMSA-N 1 0 452.603 3.870 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001313637611 1070776695 /nfs/dbraw/zinc/77/66/95/1070776695.db2.gz KVJPHDFAGDWOEK-DHIUTWEWSA-N 1 0 455.647 3.772 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CCOCC1 ZINC001314657374 1070776783 /nfs/dbraw/zinc/77/67/83/1070776783.db2.gz AYLBHHHZRIEGAF-GOSISDBHSA-N 1 0 487.592 3.589 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCCOCC2)CCSC1 ZINC001314658026 1070778309 /nfs/dbraw/zinc/77/83/09/1070778309.db2.gz OHWHGXGCMSDLCI-VWLOTQADSA-N 1 0 473.687 3.819 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CCc3ccccc3)nnc2N2CCCN(CC(F)(F)F)CC2)CCSC1 ZINC001314658193 1070778997 /nfs/dbraw/zinc/77/89/97/1070778997.db2.gz UKKRYUWZQOXCLO-QHCPKHFHSA-N 1 0 496.647 3.575 20 0 JHADRO C[NH+](C)C1(Cn2c(CN3CCCC3=O)nnc2N(CCC(F)(F)F)CC2CC2)CCCCC1 ZINC001314658353 1070779553 /nfs/dbraw/zinc/77/95/53/1070779553.db2.gz ZOJCGBPGOPTKLF-UHFFFAOYSA-N 1 0 470.584 3.834 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3cccnc3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CCCCC1 ZINC001314659069 1070780636 /nfs/dbraw/zinc/78/06/36/1070780636.db2.gz KFTPHBAAFFTHFH-JOCHJYFZSA-N 1 0 497.688 3.879 20 0 JHADRO Cn1cc(Nc2nnc(-c3ccccc3Br)n2C[C@@]2([NH+](C)C)CCSC2)cn1 ZINC001314659225 1070781266 /nfs/dbraw/zinc/78/12/66/1070781266.db2.gz BIDIWYZMYUPYEB-IBGZPJMESA-N 1 0 462.421 3.622 20 0 JHADRO CN(C)c1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001314660098 1070783328 /nfs/dbraw/zinc/78/33/28/1070783328.db2.gz FDVHKKIBZMRMGN-UHFFFAOYSA-N 1 0 469.584 3.577 20 0 JHADRO CN(C)c1ccc(CCn2c(N(C)C3CC[NH+](CCn4cccn4)CC3)nnc2C(C)(C)C)cc1 ZINC001314660773 1070784457 /nfs/dbraw/zinc/78/44/57/1070784457.db2.gz JUGIMEJOTPSZPW-UHFFFAOYSA-N 1 0 478.689 3.682 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)C[NH+](C)C ZINC001314665216 1070796608 /nfs/dbraw/zinc/79/66/08/1070796608.db2.gz LXTNLZMJJWKJIB-UHFFFAOYSA-N 1 0 466.453 3.727 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313644385 1070796959 /nfs/dbraw/zinc/79/69/59/1070796959.db2.gz IPOUNLVMUGOQGL-UHFFFAOYSA-N 1 0 455.651 3.547 20 0 JHADRO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc(CN2CCCC2=O)n1CC(C)(C)C[NH+](C)C ZINC001314666400 1070798835 /nfs/dbraw/zinc/79/88/35/1070798835.db2.gz QNLYJKAESQEAMV-UHFFFAOYSA-N 1 0 484.542 3.783 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC001314667493 1070801519 /nfs/dbraw/zinc/80/15/19/1070801519.db2.gz MRNRTCIFIWGIHF-DEOSSOPVSA-N 1 0 488.558 3.980 20 0 JHADRO CCN(CC)C(=O)CCCn1c(Cc2ccccc2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001313647022 1070809800 /nfs/dbraw/zinc/80/98/00/1070809800.db2.gz ZNZFQAAVKLXHLR-UHFFFAOYSA-N 1 0 452.647 3.500 20 0 JHADRO CN(CCN1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667811 1070802146 /nfs/dbraw/zinc/80/21/46/1070802146.db2.gz URADNJUUYPLEDY-UHFFFAOYSA-N 1 0 456.679 3.524 20 0 JHADRO C[NH+](C)CCCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC001314668042 1070802930 /nfs/dbraw/zinc/80/29/30/1070802930.db2.gz YUMPXUHOWGWMHX-UHFFFAOYSA-N 1 0 492.546 3.546 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1OCC[NH+](C)C ZINC001314668552 1070805506 /nfs/dbraw/zinc/80/55/06/1070805506.db2.gz KFZMTXODBPHLJJ-GMAHTHKFSA-N 1 0 457.619 3.514 20 0 JHADRO CCN(CC)C(=O)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001313645908 1070806170 /nfs/dbraw/zinc/80/61/70/1070806170.db2.gz SPYGMETUYUPFCT-NNXSRULWSA-N 1 0 474.694 3.518 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001314668872 1070806376 /nfs/dbraw/zinc/80/63/76/1070806376.db2.gz RRLVTSFKUOCMTP-DHIUTWEWSA-N 1 0 471.646 3.760 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(N2CCO[C@@H](c3nccs3)C2)nnc1C(C)(C)C ZINC001314669204 1070807664 /nfs/dbraw/zinc/80/76/64/1070807664.db2.gz XTCXSKKGXVJOKL-HXUWFJFHSA-N 1 0 470.643 3.599 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001314669981 1070810618 /nfs/dbraw/zinc/81/06/18/1070810618.db2.gz IBWSKWHWXQVJSM-UHFFFAOYSA-N 1 0 498.628 3.763 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(-c3cccnc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC001314670547 1070811604 /nfs/dbraw/zinc/81/16/04/1070811604.db2.gz GQFNVFLDNZKNNC-XMMPIXPASA-N 1 0 478.641 3.775 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC2(CCCC2)C1 ZINC001314670723 1070813065 /nfs/dbraw/zinc/81/30/65/1070813065.db2.gz LYWIMWLORMYJRT-UHFFFAOYSA-N 1 0 455.647 3.970 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(-c3ccccn3)nnc2N2CCSC(C)(C)C2)cc1 ZINC001314671130 1070813961 /nfs/dbraw/zinc/81/39/61/1070813961.db2.gz LAZJZOUPUVRNCA-UHFFFAOYSA-N 1 0 466.655 3.855 20 0 JHADRO CN(OC1CCCC1)c1nnc(-c2ccc(Br)s2)n1CCOCC[NH+](C)C ZINC001314671199 1070814442 /nfs/dbraw/zinc/81/44/42/1070814442.db2.gz OJZCTUPOCXJLIO-UHFFFAOYSA-N 1 0 458.426 3.658 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCSC2(CCCCC2)C1 ZINC001314672075 1070816997 /nfs/dbraw/zinc/81/69/97/1070816997.db2.gz WXZMMNYNMZSIII-UHFFFAOYSA-N 1 0 465.067 3.828 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001314672272 1070817410 /nfs/dbraw/zinc/81/74/10/1070817410.db2.gz YNAMPMXFNYIIGU-LJQANCHMSA-N 1 0 498.441 3.676 20 0 JHADRO C[NH+](C)CCOCCn1c(Cc2ccccc2F)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001314673856 1070819493 /nfs/dbraw/zinc/81/94/93/1070819493.db2.gz ZYESGQRBKLYMDR-NQIIRXRSSA-N 1 0 470.420 3.606 20 0 JHADRO CC1(CS(=O)(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC001309523148 1070826075 /nfs/dbraw/zinc/82/60/75/1070826075.db2.gz BULQWRMNBMIPCW-XMMPIXPASA-N 1 0 457.640 3.695 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC001313651539 1070826641 /nfs/dbraw/zinc/82/66/41/1070826641.db2.gz GEXLRAFUFUNAFQ-APWZRJJASA-N 1 0 461.680 3.604 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001313651526 1070826931 /nfs/dbraw/zinc/82/69/31/1070826931.db2.gz GAKOHEAHXNNGSS-XPNTWCBSSA-N 1 0 468.646 3.883 20 0 JHADRO CN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([NH+](C)C)CCCCC1)[C@H]1CCSC1 ZINC001314679512 1070829199 /nfs/dbraw/zinc/82/91/99/1070829199.db2.gz UMLZAGONTYSXHY-IBGZPJMESA-N 1 0 477.700 3.555 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(OC)C1 ZINC001313652803 1070831578 /nfs/dbraw/zinc/83/15/78/1070831578.db2.gz YYVRALWDNOKETB-NBGIEHNGSA-N 1 0 456.635 3.883 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001313653160 1070833103 /nfs/dbraw/zinc/83/31/03/1070833103.db2.gz NWKAMKXEMJKXQP-NRFANRHFSA-N 1 0 494.688 3.751 20 0 JHADRO CN(c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001314682026 1070835704 /nfs/dbraw/zinc/83/57/04/1070835704.db2.gz KUMIBMJWDJMNKJ-KRWDZBQOSA-N 1 0 484.041 3.625 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@](C)(CC)C1 ZINC001313655837 1070847139 /nfs/dbraw/zinc/84/71/39/1070847139.db2.gz AASFCELAUMCVPK-FOIQADDNSA-N 1 0 453.429 3.771 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)CC[C@H]1C ZINC001313656022 1070847839 /nfs/dbraw/zinc/84/78/39/1070847839.db2.gz CVFNPYJSCVLFJL-GUDVDZBRSA-N 1 0 475.707 3.902 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001313656020 1070847874 /nfs/dbraw/zinc/84/78/74/1070847874.db2.gz CVFNPYJSCVLFJL-CEXWTWQISA-N 1 0 475.707 3.902 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001313657408 1070855743 /nfs/dbraw/zinc/85/57/43/1070855743.db2.gz RBHPWYKJOIZPMK-RBBKRZOGSA-N 1 0 497.688 3.759 20 0 JHADRO CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314691698 1070851262 /nfs/dbraw/zinc/85/12/62/1070851262.db2.gz PSLDVFIPTQOELA-LJQANCHMSA-N 1 0 499.603 3.624 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001313657222 1070854455 /nfs/dbraw/zinc/85/44/55/1070854455.db2.gz PPAIGSIUQZUKHF-XTWGIRIWSA-N 1 0 456.635 3.568 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1CCCO)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314694717 1070856596 /nfs/dbraw/zinc/85/65/96/1070856596.db2.gz RJKVMQGQYSWGIT-NRFANRHFSA-N 1 0 492.709 3.549 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001313657740 1070856965 /nfs/dbraw/zinc/85/69/65/1070856965.db2.gz UDXLECIAIYPTEP-ROUUACIJSA-N 1 0 498.594 3.765 20 0 JHADRO CN(c1nnc([C@H]2CCCCO2)n1CC1([NH+](C)C)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314694783 1070857017 /nfs/dbraw/zinc/85/70/17/1070857017.db2.gz TVRRSVCHUVQBHX-HXUWFJFHSA-N 1 0 476.666 3.840 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001313659813 1070863787 /nfs/dbraw/zinc/86/37/87/1070863787.db2.gz LCBJGFOKOSQNQR-IBGZPJMESA-N 1 0 497.619 3.553 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313657832 1070857849 /nfs/dbraw/zinc/85/78/49/1070857849.db2.gz VKSDWCMVCLIBRQ-RBBKRZOGSA-N 1 0 492.672 3.807 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001313658565 1070859526 /nfs/dbraw/zinc/85/95/26/1070859526.db2.gz BALSYFOFBAZJMT-FQEVSTJZSA-N 1 0 481.620 3.935 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001313659019 1070860336 /nfs/dbraw/zinc/86/03/36/1070860336.db2.gz GWQZXBHXPNRNQF-FQEVSTJZSA-N 1 0 463.630 3.711 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313658637 1070860602 /nfs/dbraw/zinc/86/06/02/1070860602.db2.gz SKQYSWXYZBNSPL-QGZVFWFLSA-N 1 0 477.053 3.690 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001313659851 1070864270 /nfs/dbraw/zinc/86/42/70/1070864270.db2.gz LROHNMPYQGEAEM-WIYYLYMNSA-N 1 0 483.617 3.768 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001313659613 1070863091 /nfs/dbraw/zinc/86/30/91/1070863091.db2.gz KDEAFKVHJYPTJL-KRWDZBQOSA-N 1 0 488.011 3.758 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313660376 1070865467 /nfs/dbraw/zinc/86/54/67/1070865467.db2.gz RGKHKJZHQPVBHF-UYAOXDASSA-N 1 0 457.623 3.516 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001313660446 1070865640 /nfs/dbraw/zinc/86/56/40/1070865640.db2.gz QMGHNJFJRANMOD-CTNGQTDRSA-N 1 0 481.645 3.810 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313660660 1070866285 /nfs/dbraw/zinc/86/62/85/1070866285.db2.gz SEQMCNCMSKTJLG-MSOLQXFVSA-N 1 0 498.594 3.765 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H](C)c1ccco1 ZINC001313661356 1070868335 /nfs/dbraw/zinc/86/83/35/1070868335.db2.gz FIYGUHMEXBIPAW-ZWKOTPCHSA-N 1 0 463.586 3.713 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@H](C(C)C)C1 ZINC001313662677 1070870660 /nfs/dbraw/zinc/87/06/60/1070870660.db2.gz WBWSVVGQUJPPGS-UXHICEINSA-N 1 0 465.646 3.795 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccco1 ZINC001313663545 1070872922 /nfs/dbraw/zinc/87/29/22/1070872922.db2.gz FSSSXMSMPAIZTQ-HXUWFJFHSA-N 1 0 486.020 3.875 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nccs1)c1ccccc1 ZINC001313663566 1070873034 /nfs/dbraw/zinc/87/30/34/1070873034.db2.gz GCJUCTLYVLGKRD-FQEVSTJZSA-N 1 0 467.643 3.690 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC001313663804 1070874415 /nfs/dbraw/zinc/87/44/15/1070874415.db2.gz ICQGPKCGVIHANY-DHIUTWEWSA-N 1 0 451.619 3.587 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1)c1ccco1 ZINC001313663921 1070874640 /nfs/dbraw/zinc/87/46/40/1070874640.db2.gz IRAOQWYHZWZUOI-QHCPKHFHSA-N 1 0 480.613 3.510 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N2CCC[C@H](CCO)CC2)cc1 ZINC001309595282 1070875453 /nfs/dbraw/zinc/87/54/53/1070875453.db2.gz BAGXRWOGNIFXCZ-UCGXPXSYSA-N 1 0 456.652 3.777 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001313665607 1070881075 /nfs/dbraw/zinc/88/10/75/1070881075.db2.gz GAEKQWYEIKVJRC-LMNJBCLMSA-N 1 0 479.572 3.692 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001313664808 1070877979 /nfs/dbraw/zinc/87/79/79/1070877979.db2.gz CKXSEGQVZMIUEY-IBGZPJMESA-N 1 0 489.064 3.690 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccn2C)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001314707331 1070878036 /nfs/dbraw/zinc/87/80/36/1070878036.db2.gz JYYZXLIEARNWII-HSZRJFAPSA-N 1 0 491.684 3.937 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314707751 1070878903 /nfs/dbraw/zinc/87/89/03/1070878903.db2.gz CRIZVXKZTXUPSX-HXUWFJFHSA-N 1 0 485.564 3.991 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1)c1ccccc1 ZINC001313665212 1070879479 /nfs/dbraw/zinc/87/94/79/1070879479.db2.gz QGSXKWHDLUFSLL-LADGPHEKSA-N 1 0 450.635 3.795 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313666087 1070882285 /nfs/dbraw/zinc/88/22/85/1070882285.db2.gz GRCXYCHZLMADQQ-MSOLQXFVSA-N 1 0 463.026 3.530 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccsc1 ZINC001313666255 1070882920 /nfs/dbraw/zinc/88/29/20/1070882920.db2.gz VKCCBIGLNRFIRI-SFTDATJTSA-N 1 0 488.702 3.910 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001313667529 1070889699 /nfs/dbraw/zinc/88/96/99/1070889699.db2.gz LIXDDEKIIAQTGU-HJPURHCSSA-N 1 0 495.455 3.753 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2ccccc2F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314709020 1070883757 /nfs/dbraw/zinc/88/37/57/1070883757.db2.gz OXENPCCHHQZGKV-UHFFFAOYSA-N 1 0 458.626 3.623 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2ccsc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314709166 1070884281 /nfs/dbraw/zinc/88/42/81/1070884281.db2.gz VQPHXHJQRHHZEY-FQEVSTJZSA-N 1 0 460.692 3.792 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001313667465 1070889748 /nfs/dbraw/zinc/88/97/48/1070889748.db2.gz JWDMWFDHKWNRRD-DOTOQJQBSA-N 1 0 497.427 3.535 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001313666757 1070885510 /nfs/dbraw/zinc/88/55/10/1070885510.db2.gz JNECCVKNDFOMNN-NFBKMPQASA-N 1 0 480.661 3.946 20 0 JHADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3ccc(Oc4cccc(C)c4)cc3)CC2)CC1 ZINC001309625010 1070889264 /nfs/dbraw/zinc/88/92/64/1070889264.db2.gz ZACMWZQVVIYOOG-UHFFFAOYSA-N 1 0 457.640 3.968 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001313668044 1070890978 /nfs/dbraw/zinc/89/09/78/1070890978.db2.gz NWHFVYMPVPDMFX-NVQXNPDNSA-N 1 0 465.646 3.622 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001313668396 1070891627 /nfs/dbraw/zinc/89/16/27/1070891627.db2.gz QMBDMTRPONOJAK-GHTZIAJQSA-N 1 0 498.093 3.644 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](O)(c2ccccc2F)C1 ZINC001313669060 1070893767 /nfs/dbraw/zinc/89/37/67/1070893767.db2.gz AKEWMXATQMXQMD-MZNJEOGPSA-N 1 0 472.634 3.601 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc([C@H]2CCCCO2)n1CC[N@H+](C)C1CCCC1 ZINC001314712060 1070894408 /nfs/dbraw/zinc/89/44/08/1070894408.db2.gz PDJFBMNNGZYSAH-OAQYLSRUSA-N 1 0 476.572 3.747 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)OC(C)(C)C1)c1ccccc1 ZINC001313670670 1070897627 /nfs/dbraw/zinc/89/76/27/1070897627.db2.gz BFTWDSAYAITDLQ-UGKGYDQZSA-N 1 0 451.619 3.765 20 0 JHADRO CN(CC(C)(C)C)c1nnc(Cc2ccncc2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001314713436 1070900557 /nfs/dbraw/zinc/90/05/57/1070900557.db2.gz MNFBIMGQHNNCJF-UHFFFAOYSA-N 1 0 462.642 3.751 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCOC(C)(C)[C@H]1C)c1ccsc1 ZINC001313671752 1070900947 /nfs/dbraw/zinc/90/09/47/1070900947.db2.gz KVTAIILORKODAC-YLJYHZDGSA-N 1 0 457.648 3.827 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccsc1 ZINC001313672445 1070903826 /nfs/dbraw/zinc/90/38/26/1070903826.db2.gz OCSFCNNCGUFKEZ-SIKLNZKXSA-N 1 0 496.685 3.573 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccco1 ZINC001313672441 1070903916 /nfs/dbraw/zinc/90/39/16/1070903916.db2.gz OCNUEFGTATXAFJ-SCZRWQTQSA-N 1 0 486.661 3.732 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313672841 1070905155 /nfs/dbraw/zinc/90/51/55/1070905155.db2.gz PQCPVAHHOFZLPQ-QFIPXVFZSA-N 1 0 479.629 3.629 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOCC1)c1ccccc1 ZINC001313673679 1070908656 /nfs/dbraw/zinc/90/86/56/1070908656.db2.gz GBDBCMKZUXQBOH-XPWALMASSA-N 1 0 498.672 3.969 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001313674401 1070910616 /nfs/dbraw/zinc/91/06/16/1070910616.db2.gz IXOHLZHQOBHNQK-PZJWPPBQSA-N 1 0 456.635 3.936 20 0 JHADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cccc2scc(Br)c21 ZINC001309664089 1070910628 /nfs/dbraw/zinc/91/06/28/1070910628.db2.gz CGPMUGITMZASIG-UHFFFAOYSA-N 1 0 458.403 3.806 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCC(F)(F)F)c1ccccc1 ZINC001313674314 1070911096 /nfs/dbraw/zinc/91/10/96/1070911096.db2.gz URDJIVQCHCKOOI-QZTJIDSGSA-N 1 0 452.525 3.701 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(CN2CCCC2=O)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314722083 1070919669 /nfs/dbraw/zinc/91/96/69/1070919669.db2.gz GJCAXESHMLODES-OAQYLSRUSA-N 1 0 474.053 3.596 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccsc1 ZINC001313675454 1070916811 /nfs/dbraw/zinc/91/68/11/1070916811.db2.gz UJQXYELTOGSUDJ-APWZRJJASA-N 1 0 488.061 3.805 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccsc1 ZINC001313675590 1070917172 /nfs/dbraw/zinc/91/71/72/1070917172.db2.gz UNJYPOABCDDYRT-GCJKJVERSA-N 1 0 482.654 3.765 20 0 JHADRO CCN(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C(C)C)c1ccsc1 ZINC001313676506 1070921217 /nfs/dbraw/zinc/92/12/17/1070921217.db2.gz FIXINJMRKJQQGR-OALUTQOASA-N 1 0 453.678 3.560 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 ZINC001313676792 1070922586 /nfs/dbraw/zinc/92/25/86/1070922586.db2.gz ZWMAYFIRPGRPIJ-GSPCLOLRSA-N 1 0 482.673 3.591 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccsc1 ZINC001313676846 1070922760 /nfs/dbraw/zinc/92/27/60/1070922760.db2.gz GHLUJQWXCIULIQ-HSZRJFAPSA-N 1 0 495.697 3.713 20 0 JHADRO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cn1 ZINC001313678398 1070929348 /nfs/dbraw/zinc/92/93/48/1070929348.db2.gz CWRVMXMNMINLHB-UHFFFAOYSA-N 1 0 476.673 3.864 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCCO2)n1CC1([NH+](C)C)CCCC1 ZINC001314725987 1070932481 /nfs/dbraw/zinc/93/24/81/1070932481.db2.gz TZDBWMRBRBAXIM-MRXNPFEDSA-N 1 0 452.397 3.996 20 0 JHADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC001309720450 1070938438 /nfs/dbraw/zinc/93/84/38/1070938438.db2.gz GWQNZIMUGIBZSN-IBGZPJMESA-N 1 0 457.036 3.783 20 0 JHADRO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc(-c2cnccn2)n1CCCC[NH+]1CCOCC1 ZINC001314727316 1070937576 /nfs/dbraw/zinc/93/75/76/1070937576.db2.gz RPKBRKPTKKJGPR-UHFFFAOYSA-N 1 0 475.519 3.503 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313681623 1070941080 /nfs/dbraw/zinc/94/10/80/1070941080.db2.gz YDHUKBJCYSPVSA-YADHBBJMSA-N 1 0 486.661 3.543 20 0 JHADRO CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001313685252 1070946245 /nfs/dbraw/zinc/94/62/45/1070946245.db2.gz CEVGKCJBTZIAGW-UHFFFAOYSA-N 1 0 451.623 3.525 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@@H]2CCCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001314730481 1070947941 /nfs/dbraw/zinc/94/79/41/1070947941.db2.gz YHANOXJETGOKRH-MRXNPFEDSA-N 1 0 498.491 3.743 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2n[nH]c(C)n2)CC1 ZINC001313691750 1070951984 /nfs/dbraw/zinc/95/19/84/1070951984.db2.gz WKYDIXYMMGINQH-QGZVFWFLSA-N 1 0 470.597 3.537 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(Cl)s2)CC1 ZINC001313691722 1070952061 /nfs/dbraw/zinc/95/20/61/1070952061.db2.gz VFSUTALETDVKDR-UHFFFAOYSA-N 1 0 453.056 3.685 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(CC)CCOCC2)CC1 ZINC001313691699 1070952098 /nfs/dbraw/zinc/95/20/98/1070952098.db2.gz UKWKACWJJUBIDV-AREMUKBSSA-N 1 0 477.694 3.836 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1ccc(F)c(Br)c1F ZINC001309754408 1070954552 /nfs/dbraw/zinc/95/45/52/1070954552.db2.gz RYANBAXIEKYCHY-HIFRSBDPSA-N 1 0 459.356 3.774 20 0 JHADRO CN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1CC[NH+]1CCCCCC1 ZINC001314735180 1070958607 /nfs/dbraw/zinc/95/86/07/1070958607.db2.gz RRBQMOVSXHYRGS-UHFFFAOYSA-N 1 0 470.618 3.921 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001313693472 1070954556 /nfs/dbraw/zinc/95/45/56/1070954556.db2.gz LPTDJKWHAVUCNG-FQEVSTJZSA-N 1 0 485.677 3.830 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC001313694436 1070957210 /nfs/dbraw/zinc/95/72/10/1070957210.db2.gz DSWVGRIASAHEQI-UHFFFAOYSA-N 1 0 487.555 3.704 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001313694606 1070957220 /nfs/dbraw/zinc/95/72/20/1070957220.db2.gz HHYBZUJHZBCBJU-MNLRITNHSA-N 1 0 460.667 3.524 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@H](OC)C(F)(F)F)CC1 ZINC001313694968 1070957937 /nfs/dbraw/zinc/95/79/37/1070957937.db2.gz JMCPZXQBNVGMCJ-IBGZPJMESA-N 1 0 454.541 3.927 20 0 JHADRO CN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314734787 1070958094 /nfs/dbraw/zinc/95/80/94/1070958094.db2.gz KCMLXSIJEVAHPT-MOPGFXCFSA-N 1 0 460.554 3.508 20 0 JHADRO O=S(=O)([C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)N1CCO[C@H](CCF)C1 ZINC001309762400 1070958110 /nfs/dbraw/zinc/95/81/10/1070958110.db2.gz VOCLOHXFWLCQMG-XPWALMASSA-N 1 0 467.006 3.698 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(NC(=O)OC)c2)CC1 ZINC001313695346 1070959440 /nfs/dbraw/zinc/95/94/40/1070959440.db2.gz MTDBXRQHMRNZLM-UHFFFAOYSA-N 1 0 451.575 3.810 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(C(N)=O)CCCC2)CC1 ZINC001313696801 1070964419 /nfs/dbraw/zinc/96/44/19/1070964419.db2.gz JGPXKHGYWCRJSP-UHFFFAOYSA-N 1 0 468.646 3.522 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001313696763 1070964430 /nfs/dbraw/zinc/96/44/30/1070964430.db2.gz IJBWFDZWVOIZJN-IBGZPJMESA-N 1 0 489.064 3.832 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001313696800 1070964528 /nfs/dbraw/zinc/96/45/28/1070964528.db2.gz JGDYKAKQIBGFGN-UHFFFAOYSA-N 1 0 493.681 3.732 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001313695836 1070961381 /nfs/dbraw/zinc/96/13/81/1070961381.db2.gz QHCVARVRBVFZFJ-HXUWFJFHSA-N 1 0 485.620 3.661 20 0 JHADRO CN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCC[NH+]1CCCCC1 ZINC001314736720 1070963222 /nfs/dbraw/zinc/96/32/22/1070963222.db2.gz LPUIZIJOPYUXBS-FQEVSTJZSA-N 1 0 495.640 3.751 20 0 JHADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c2ccccc12 ZINC001309774991 1070963424 /nfs/dbraw/zinc/96/34/24/1070963424.db2.gz NLVIWNRMBYPFGW-HXUWFJFHSA-N 1 0 452.576 3.959 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NCc2ccco2)CC1 ZINC001313696994 1070963821 /nfs/dbraw/zinc/96/38/21/1070963821.db2.gz ISAKZYNIXQCWRO-UHFFFAOYSA-N 1 0 471.005 3.819 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2ccc(C)cc2)CC1 ZINC001313697025 1070965074 /nfs/dbraw/zinc/96/50/74/1070965074.db2.gz JHKURJPWWJRJBT-UHFFFAOYSA-N 1 0 464.614 3.896 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001313698039 1070967641 /nfs/dbraw/zinc/96/76/41/1070967641.db2.gz PJMRZWVRYCTEDK-JGCGQSQUSA-N 1 0 461.676 3.812 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2nccs2)CC1 ZINC001313698138 1070969681 /nfs/dbraw/zinc/96/96/81/1070969681.db2.gz UGGPPGZQJPDKPF-UHFFFAOYSA-N 1 0 470.643 3.972 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001313698560 1070971074 /nfs/dbraw/zinc/97/10/74/1070971074.db2.gz HOPLCJRGLLWPIM-UNMCSNQZSA-N 1 0 487.092 3.949 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C/C=C/c2ccccc2)CC1 ZINC001313698886 1070971870 /nfs/dbraw/zinc/97/18/70/1070971870.db2.gz DMEXJXDLTUWPAU-FMIVXFBMSA-N 1 0 462.598 3.550 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCc2cccc(C)n2)CC1 ZINC001313699136 1070973244 /nfs/dbraw/zinc/97/32/44/1070973244.db2.gz IRYMFTYMIFHGHA-UHFFFAOYSA-N 1 0 496.059 3.535 20 0 JHADRO COc1cc(Br)c(S(=O)(=O)N(C)CCCC[NH+]2CCCCC2)cc1Cl ZINC001309803379 1070975047 /nfs/dbraw/zinc/97/50/47/1070975047.db2.gz PLHZLZVQWYVLGT-UHFFFAOYSA-N 1 0 453.830 3.998 20 0 JHADRO CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(C[NH+](CC)CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC001313699968 1070975454 /nfs/dbraw/zinc/97/54/54/1070975454.db2.gz MBWWIEKNXDDIMT-QFIPXVFZSA-N 1 0 485.654 3.750 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(OC)CCOC2)C1 ZINC001313701685 1070980564 /nfs/dbraw/zinc/98/05/64/1070980564.db2.gz JGWXPVLXBPOIOU-SBUREZEXSA-N 1 0 466.001 3.711 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(N3CC[C@@H](CN4CCOCC4)C3)nnc2C(C)(C)C)cc1 ZINC001313700633 1070977344 /nfs/dbraw/zinc/97/73/44/1070977344.db2.gz VNQFTPJHOUIEFU-DEOSSOPVSA-N 1 0 468.690 3.624 20 0 JHADRO CN(Cc1cccc(C(N)=O)c1)c1nnc(CC2CCCC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314742770 1070982163 /nfs/dbraw/zinc/98/21/63/1070982163.db2.gz SIMVQXSCYUAYGE-JOCHJYFZSA-N 1 0 452.647 3.867 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(F)cn2)C1 ZINC001313702080 1070982733 /nfs/dbraw/zinc/98/27/33/1070982733.db2.gz MJKUXNVBKXWISF-GOSISDBHSA-N 1 0 468.577 3.713 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@@H](C)c2cccc(C)c2)CC1 ZINC001313702164 1070983577 /nfs/dbraw/zinc/98/35/77/1070983577.db2.gz ALGKLRYPMPDUPK-OAQYLSRUSA-N 1 0 452.647 3.648 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(C)CC2)C1 ZINC001313702925 1070985547 /nfs/dbraw/zinc/98/55/47/1070985547.db2.gz TVSTXQOWKWZRLK-LJQANCHMSA-N 1 0 459.660 3.707 20 0 JHADRO CN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCOCC1 ZINC001314744052 1070985900 /nfs/dbraw/zinc/98/59/00/1070985900.db2.gz BMNPHBHLXOUSGW-UHFFFAOYSA-N 1 0 473.419 3.783 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccccc2F)C1 ZINC001313703180 1070986006 /nfs/dbraw/zinc/98/60/06/1070986006.db2.gz BJCQZBSWZRWERJ-FQEVSTJZSA-N 1 0 470.637 3.799 20 0 JHADRO CN(Cc1cccc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314744680 1070986346 /nfs/dbraw/zinc/98/63/46/1070986346.db2.gz LSKWAUQQUAKDJI-FQEVSTJZSA-N 1 0 477.650 3.610 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCOC3)nnc2N(C)C2CCC(NC(C)=O)CC2)c1 ZINC001313703764 1070988040 /nfs/dbraw/zinc/98/80/40/1070988040.db2.gz RCTSVJMUBKPVTF-KAVZGVEFSA-N 1 0 482.673 3.556 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313703694 1070988118 /nfs/dbraw/zinc/98/81/18/1070988118.db2.gz DBVGEOSYOWLZFC-QHCPKHFHSA-N 1 0 452.647 3.603 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C3CCC3)nnc2N2CCC(CC(=O)NC)CC2)cc1 ZINC001313703841 1070988758 /nfs/dbraw/zinc/98/87/58/1070988758.db2.gz HGSRVJRJLCKDQP-UHFFFAOYSA-N 1 0 452.647 3.788 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC001313704374 1070990457 /nfs/dbraw/zinc/99/04/57/1070990457.db2.gz LUJWWIXOQIJMFW-KDURUIRLSA-N 1 0 451.644 3.955 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CC[C@H](N4CCCC4=O)C3)nnc2C(C)(C)C)c1 ZINC001313704672 1070991888 /nfs/dbraw/zinc/99/18/88/1070991888.db2.gz ZTEHTCZBSZZGQT-QFIPXVFZSA-N 1 0 452.647 3.667 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(O)c2)C1 ZINC001313705893 1070994920 /nfs/dbraw/zinc/99/49/20/1070994920.db2.gz FNMAQGLHNBCGOY-GOSISDBHSA-N 1 0 487.446 3.968 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001313706127 1070995555 /nfs/dbraw/zinc/99/55/55/1070995555.db2.gz XTUFJBFTOYTOJH-TXTKFYIRSA-N 1 0 473.687 3.553 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(N)=O)CC1 ZINC001313706099 1070995583 /nfs/dbraw/zinc/99/55/83/1070995583.db2.gz XNXQUXDSTIKZAQ-UHFFFAOYSA-N 1 0 475.641 3.630 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(C)C)CC2)cc1 ZINC001313706467 1070996417 /nfs/dbraw/zinc/99/64/17/1070996417.db2.gz XOGBEDKBOUVAEK-QHCPKHFHSA-N 1 0 452.647 3.992 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2(C)COC2)C1 ZINC001313707220 1070997567 /nfs/dbraw/zinc/99/75/67/1070997567.db2.gz KCSPWIOGFPSENK-QGZVFWFLSA-N 1 0 462.436 3.912 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H]2CCOC2)C1 ZINC001313708809 1071000592 /nfs/dbraw/zinc/00/05/92/1071000592.db2.gz ZMAXWYRZEXHYGJ-FCHUYYIVSA-N 1 0 468.646 3.742 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCn2cc(Br)cn2)C1 ZINC001313709058 1071000946 /nfs/dbraw/zinc/00/09/46/1071000946.db2.gz CADJAWDUGLTCFU-QUCCMNQESA-N 1 0 494.482 3.737 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2=CCCOC2)C1 ZINC001313709492 1071002368 /nfs/dbraw/zinc/00/23/68/1071002368.db2.gz MNYZCEZQMMLQAS-ILWGZMRPSA-N 1 0 488.677 3.564 20 0 JHADRO CN(Cc1ccccn1)c1nnc(-c2cccc(Br)c2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314750829 1071002773 /nfs/dbraw/zinc/00/27/73/1071002773.db2.gz OHOWBECDNNNFGB-JOCHJYFZSA-N 1 0 499.457 3.976 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)c2c(C)noc2C)C1 ZINC001313710646 1071004642 /nfs/dbraw/zinc/00/46/42/1071004642.db2.gz BEPVUVYQLDJEOK-GHTZIAJQSA-N 1 0 451.619 3.841 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001313711505 1071005711 /nfs/dbraw/zinc/00/57/11/1071005711.db2.gz NHIXTSSJZWRLGW-XPWALMASSA-N 1 0 482.673 3.824 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)SC)C1 ZINC001313711420 1071006334 /nfs/dbraw/zinc/00/63/34/1071006334.db2.gz MVEFVTPKWGEKLQ-KRWDZBQOSA-N 1 0 469.659 3.904 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001313711516 1071006724 /nfs/dbraw/zinc/00/67/24/1071006724.db2.gz DWGFFYJTKIIQQO-UHFFFAOYSA-N 1 0 459.038 3.825 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C)C1 ZINC001313712255 1071008646 /nfs/dbraw/zinc/00/86/46/1071008646.db2.gz METVXTLVGLPKQK-INIZCTEOSA-N 1 0 466.424 3.673 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001313713097 1071009798 /nfs/dbraw/zinc/00/97/98/1071009798.db2.gz YDZOJVFQYMVKGO-HXUWFJFHSA-N 1 0 487.450 3.873 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001313715431 1071014203 /nfs/dbraw/zinc/01/42/03/1071014203.db2.gz DNYKUPIPLRGYDL-UHFFFAOYSA-N 1 0 472.703 3.891 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C1 ZINC001313714542 1071011936 /nfs/dbraw/zinc/01/19/36/1071011936.db2.gz YZOZKGSXACOHHR-FQEVSTJZSA-N 1 0 456.038 3.781 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCc2sc(C)nc2C)C1 ZINC001313714583 1071012618 /nfs/dbraw/zinc/01/26/18/1071012618.db2.gz ZOTRBLQSDNWALW-HXUWFJFHSA-N 1 0 453.660 3.748 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001313714698 1071012769 /nfs/dbraw/zinc/01/27/69/1071012769.db2.gz OCZXFXFZDLYJKW-PMACEKPBSA-N 1 0 489.462 3.687 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001313715519 1071014034 /nfs/dbraw/zinc/01/40/34/1071014034.db2.gz IBSNLHMDLPRNIH-HXUWFJFHSA-N 1 0 455.676 3.960 20 0 JHADRO CN(Cc1cccs1)c1nnc(COc2ccccc2F)n1CC1([NH+](C)C)CCOCC1 ZINC001314759536 1071015229 /nfs/dbraw/zinc/01/52/29/1071015229.db2.gz KBLGMJBJJZOOOR-UHFFFAOYSA-N 1 0 459.591 3.805 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001313715760 1071015064 /nfs/dbraw/zinc/01/50/64/1071015064.db2.gz DDNZITGRVQVZFY-UHFFFAOYSA-N 1 0 487.574 3.740 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCS(=O)CC1 ZINC001313719541 1071020030 /nfs/dbraw/zinc/02/00/30/1071020030.db2.gz RMFLJKFQDROVCY-MOPGFXCFSA-N 1 0 482.094 3.987 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001313716971 1071016459 /nfs/dbraw/zinc/01/64/59/1071016459.db2.gz BSUWUQMHMIBHOK-OAQYLSRUSA-N 1 0 462.589 3.856 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS[C@@H](C)C1 ZINC001313717533 1071017393 /nfs/dbraw/zinc/01/73/93/1071017393.db2.gz GHQAPKOYXOIEJK-IBGZPJMESA-N 1 0 456.660 3.737 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2F)nnc1N1CCCC2(CCOCC2)C1 ZINC001313717821 1071017705 /nfs/dbraw/zinc/01/77/05/1071017705.db2.gz JCDFPNJZGDUMQZ-UHFFFAOYSA-N 1 0 459.610 3.840 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2Br)nnc1N1CCC(F)(F)C1 ZINC001313717827 1071018013 /nfs/dbraw/zinc/01/80/13/1071018013.db2.gz JFYXZUKBTFDRGN-UHFFFAOYSA-N 1 0 472.378 3.911 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCO2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001313720182 1071020940 /nfs/dbraw/zinc/02/09/40/1071020940.db2.gz GXOIMJXCQAUBMM-OAQYLSRUSA-N 1 0 478.682 3.945 20 0 JHADRO CC[NH+](CC)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H]1CCOC1 ZINC001313720759 1071021643 /nfs/dbraw/zinc/02/16/43/1071021643.db2.gz ZONJLQPMIQCRSF-FQEVSTJZSA-N 1 0 478.682 3.597 20 0 JHADRO CC[NH+](CC)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H]1CCOC1 ZINC001313720760 1071022068 /nfs/dbraw/zinc/02/20/68/1071022068.db2.gz ZONJLQPMIQCRSF-HXUWFJFHSA-N 1 0 478.682 3.597 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC(=O)NC(C)C ZINC001313721018 1071022280 /nfs/dbraw/zinc/02/22/80/1071022280.db2.gz BIFSEJLINKOFBS-OAHLLOKOSA-N 1 0 455.434 3.943 20 0 JHADRO CN(Cc1cnccn1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314763770 1071023062 /nfs/dbraw/zinc/02/30/62/1071023062.db2.gz JSMMHNFGHAHZBG-FQEVSTJZSA-N 1 0 499.392 3.904 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313721499 1071024663 /nfs/dbraw/zinc/02/46/63/1071024663.db2.gz DXLKQONRMJDKNA-FGZHOGPDSA-N 1 0 454.663 3.972 20 0 JHADRO CN(Cc1cnccn1)c1nnc(CSc2ccc(Cl)cc2)n1CC[NH+]1CCSCC1 ZINC001314764264 1071024794 /nfs/dbraw/zinc/02/47/94/1071024794.db2.gz AZQUCACZOQFVSA-UHFFFAOYSA-N 1 0 476.075 3.699 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001313721706 1071025276 /nfs/dbraw/zinc/02/52/76/1071025276.db2.gz PIXPIDOOUOHVQQ-XMSQKQJNSA-N 1 0 496.660 3.742 20 0 JHADRO CN(Cc1ccoc1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314766812 1071028985 /nfs/dbraw/zinc/02/89/85/1071028985.db2.gz COURNSXRIUEDJZ-UHFFFAOYSA-N 1 0 471.627 3.700 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001313722896 1071027894 /nfs/dbraw/zinc/02/78/94/1071027894.db2.gz HWMWWOLZSITBQO-MRXNPFEDSA-N 1 0 465.545 3.666 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001313723066 1071028174 /nfs/dbraw/zinc/02/81/74/1071028174.db2.gz FUTWMIOTGRLKJR-NJYVYQBISA-N 1 0 483.661 3.682 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001313724567 1071031097 /nfs/dbraw/zinc/03/10/97/1071031097.db2.gz XUONAJKTFWNXPI-UYAOXDASSA-N 1 0 466.586 3.720 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nccnc2C)CC1 ZINC001313725407 1071032668 /nfs/dbraw/zinc/03/26/68/1071032668.db2.gz ZALPFQQKRMTZKJ-GOSISDBHSA-N 1 0 469.037 3.754 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001313727149 1071036169 /nfs/dbraw/zinc/03/61/69/1071036169.db2.gz YSARYRFTFDHFLS-YLJYHZDGSA-N 1 0 490.052 3.763 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001309980358 1071037260 /nfs/dbraw/zinc/03/72/60/1071037260.db2.gz JIOAVUJYGOEIJN-AUSIDOKSSA-N 1 0 456.612 3.503 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001313727730 1071037600 /nfs/dbraw/zinc/03/76/00/1071037600.db2.gz DYKGJTWKYCVYFK-MJGOQNOKSA-N 1 0 473.647 3.745 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001313727620 1071037689 /nfs/dbraw/zinc/03/76/89/1071037689.db2.gz WBFYREPXAUBXFR-CTNGQTDRSA-N 1 0 489.064 3.832 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2F)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001313727710 1071037719 /nfs/dbraw/zinc/03/77/19/1071037719.db2.gz ZRACKLHMIGGICT-LJQANCHMSA-N 1 0 481.620 3.750 20 0 JHADRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001309980482 1071037830 /nfs/dbraw/zinc/03/78/30/1071037830.db2.gz MBYHJGLENGVVIS-OAQYLSRUSA-N 1 0 458.628 3.703 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314772250 1071038227 /nfs/dbraw/zinc/03/82/27/1071038227.db2.gz SGVWNJYDTAWCPE-STQMWFEESA-N 1 0 499.588 3.705 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001313728017 1071038210 /nfs/dbraw/zinc/03/82/10/1071038210.db2.gz MWGAZLCSOOFRMI-HXUWFJFHSA-N 1 0 494.688 3.711 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313727914 1071038277 /nfs/dbraw/zinc/03/82/77/1071038277.db2.gz LSOGUMSHNQQHQE-OAQYLSRUSA-N 1 0 479.673 3.706 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCCCC1 ZINC001313730055 1071043621 /nfs/dbraw/zinc/04/36/21/1071043621.db2.gz RFAJJPRAVSBHBD-HXUWFJFHSA-N 1 0 460.573 3.798 20 0 JHADRO CCCCNS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001309998837 1071048021 /nfs/dbraw/zinc/04/80/21/1071048021.db2.gz ZTUFTDBRMOHYFY-WMZHIEFXSA-N 1 0 458.628 3.797 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001313731009 1071046037 /nfs/dbraw/zinc/04/60/37/1071046037.db2.gz DGSNHPNKDYZJMK-IBGZPJMESA-N 1 0 478.066 3.777 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCCCO2)n1CCC[NH+]1CCC(O)CC1 ZINC001313730972 1071046210 /nfs/dbraw/zinc/04/62/10/1071046210.db2.gz MYQFSCNJADSMIJ-QFIPXVFZSA-N 1 0 463.573 3.671 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001313731871 1071048555 /nfs/dbraw/zinc/04/85/55/1071048555.db2.gz WNPGZXVTFTYKOA-RBUKOAKNSA-N 1 0 495.640 3.605 20 0 JHADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC001310004109 1071051966 /nfs/dbraw/zinc/05/19/66/1071051966.db2.gz OZYNMXREHAFYQI-XMMPIXPASA-N 1 0 450.564 3.759 20 0 JHADRO COc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(OC)cc1NC(=O)c1ccccc1 ZINC001310004894 1071052419 /nfs/dbraw/zinc/05/24/19/1071052419.db2.gz DHIUVNVGEZKQMW-SFHVURJKSA-N 1 0 452.555 3.906 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCOC2)n1CC1([NH+](C)C)CCCCC1 ZINC001313735214 1071056155 /nfs/dbraw/zinc/05/61/55/1071056155.db2.gz UOTRAQUACWALAA-QHCPKHFHSA-N 1 0 482.673 3.775 20 0 JHADRO CN(CC1CC(F)C1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314782735 1071058428 /nfs/dbraw/zinc/05/84/28/1071058428.db2.gz IRABVPCDDCJCQX-BCKAPOECSA-N 1 0 478.657 3.917 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(-c2ccccc2F)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314782954 1071058471 /nfs/dbraw/zinc/05/84/71/1071058471.db2.gz QDHDZYJGWRKCHJ-UHFFFAOYSA-N 1 0 450.553 3.592 20 0 JHADRO C[C@@H]1C[C@H](CCNC(=O)Nc2ccccc2C(=O)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC001310014581 1071058970 /nfs/dbraw/zinc/05/89/70/1071058970.db2.gz ZIQXSJPFWQNLOQ-IRLDBZIGSA-N 1 0 450.583 3.581 20 0 JHADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)cc2)CC1 ZINC001310009538 1071055376 /nfs/dbraw/zinc/05/53/76/1071055376.db2.gz PINBKQFPRZAYSB-UHFFFAOYSA-N 1 0 451.615 3.674 20 0 JHADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NCCC[N@H+](C)Cc3ccccc3)cc2)C1 ZINC001310017971 1071062869 /nfs/dbraw/zinc/06/28/69/1071062869.db2.gz SXHSNHLFZQCJPM-HXUWFJFHSA-N 1 0 458.628 3.751 20 0 JHADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001313737635 1071060795 /nfs/dbraw/zinc/06/07/95/1071060795.db2.gz JHQNNEHBTGAKIR-NHCUHLMSSA-N 1 0 457.619 3.700 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001313740579 1071065406 /nfs/dbraw/zinc/06/54/06/1071065406.db2.gz BYNAMAYUTRFFRL-OAQYLSRUSA-N 1 0 450.587 3.873 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)CC1 ZINC001310020486 1071065426 /nfs/dbraw/zinc/06/54/26/1071065426.db2.gz WKNBCLYOPRDSLY-NHCUHLMSSA-N 1 0 471.001 3.902 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001313740438 1071065679 /nfs/dbraw/zinc/06/56/79/1071065679.db2.gz BHRWGAMADHBGRY-PQNGQFLHSA-N 1 0 487.714 3.883 20 0 JHADRO CN(C[C@@H]1CC=CCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314789966 1071066983 /nfs/dbraw/zinc/06/69/83/1071066983.db2.gz IYKPMTCAHJWRCB-KAOXLYBCSA-N 1 0 459.679 3.836 20 0 JHADRO CN(C[C@H]1CC=CCC1)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314790604 1071068523 /nfs/dbraw/zinc/06/85/23/1071068523.db2.gz PMBQYFMXIKPVOK-SIKLNZKXSA-N 1 0 454.594 3.635 20 0 JHADRO CN(C)C(=O)COc1ccc(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001310025081 1071068916 /nfs/dbraw/zinc/06/89/16/1071068916.db2.gz COSGOLYUONBILF-UHFFFAOYSA-N 1 0 450.583 3.674 20 0 JHADRO 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ZINC001314907075 1071346241 /nfs/dbraw/zinc/34/62/41/1071346241.db2.gz YUMNALFFPJUEHM-UHFFFAOYSA-N 1 0 453.610 3.542 20 0 JHADRO Cc1cc(NC(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC001310377485 1071352130 /nfs/dbraw/zinc/35/21/30/1071352130.db2.gz TWCLTBHTXPSPFO-CYFREDJKSA-N 1 0 455.603 3.905 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313857869 1071357384 /nfs/dbraw/zinc/35/73/84/1071357384.db2.gz DITSUKLMWIWCQH-IAGOWNOFSA-N 1 0 487.530 3.911 20 0 JHADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC001310385548 1071357426 /nfs/dbraw/zinc/35/74/26/1071357426.db2.gz RKFKAJZCGAHGBW-QHCPKHFHSA-N 1 0 453.974 3.997 20 0 JHADRO CCn1cnnc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001313855999 1071355181 /nfs/dbraw/zinc/35/51/81/1071355181.db2.gz OFPOVLGDRIURNI-UHFFFAOYSA-N 1 0 487.052 3.727 20 0 JHADRO CCn1cnnc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313856845 1071356650 /nfs/dbraw/zinc/35/66/50/1071356650.db2.gz XVFVUMJSHDZDSB-UHFFFAOYSA-N 1 0 480.661 3.735 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCCC1 ZINC001314918030 1071361146 /nfs/dbraw/zinc/36/11/46/1071361146.db2.gz MYIKXAAMGNNUOH-FQEVSTJZSA-N 1 0 471.650 3.653 20 0 JHADRO C[NH+]1CCC(CNC(=O)Nc2ccc(F)cc2-c2nc(CCOc3ccccc3)no2)CC1 ZINC001310388607 1071361336 /nfs/dbraw/zinc/36/13/36/1071361336.db2.gz QGWJOENORGRLGM-UHFFFAOYSA-N 1 0 453.518 3.961 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2csc(COC)n2)C[C@H]1C ZINC001313859016 1071362322 /nfs/dbraw/zinc/36/23/22/1071362322.db2.gz ITIFCORNJXNYMK-RTBURBONSA-N 1 0 497.669 3.717 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001314917789 1071360616 /nfs/dbraw/zinc/36/06/16/1071360616.db2.gz NABVMRVSUNNRKQ-UHFFFAOYSA-N 1 0 471.650 3.604 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001314923725 1071366499 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/nfs/dbraw/zinc/37/30/70/1071373070.db2.gz SVBHTTHLQYBUIQ-LJQANCHMSA-N 1 0 479.467 3.897 20 0 JHADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001310408739 1071373100 /nfs/dbraw/zinc/37/31/00/1071373100.db2.gz SRVNSVHDLZMAEN-SFYKDHMMSA-N 1 0 458.628 3.796 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313862550 1071377229 /nfs/dbraw/zinc/37/72/29/1071377229.db2.gz HTRNJWRSTWNBQO-VQTJNVASSA-N 1 0 494.644 3.574 20 0 JHADRO CCn1cnnc1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001313862478 1071377496 /nfs/dbraw/zinc/37/74/96/1071377496.db2.gz BFJLMZJTJIZPRI-LEWJYISDSA-N 1 0 480.661 3.949 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313863358 1071381831 /nfs/dbraw/zinc/38/18/31/1071381831.db2.gz DICFTCDPNGRKOC-KBPBESRZSA-N 1 0 488.377 3.869 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2Cc2ncccc2C)C[C@@H]1C ZINC001313863814 1071383232 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/nfs/dbraw/zinc/38/06/52/1071380652.db2.gz JIJJECCROKGKMJ-OALUTQOASA-N 1 0 493.747 3.546 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccc(C)cc2)C[C@H]1C ZINC001313864770 1071388460 /nfs/dbraw/zinc/38/84/60/1071388460.db2.gz HBUFAPUNJFVQOT-RTBURBONSA-N 1 0 482.032 3.651 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001314936935 1071386693 /nfs/dbraw/zinc/38/66/93/1071386693.db2.gz NRJGAFNYXLXRDC-LJQANCHMSA-N 1 0 488.080 3.714 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3COc4ccccc4O3)n2CC(F)(F)Br)C[C@H]1C ZINC001313865504 1071393515 /nfs/dbraw/zinc/39/35/15/1071393515.db2.gz DWDCDUAARJWEGW-JKIFEVAISA-N 1 0 486.361 3.697 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCC2)C[C@@H]1C ZINC001313865893 1071394171 /nfs/dbraw/zinc/39/41/71/1071394171.db2.gz YNIRISWDIPJZJA-JKSUJKDBSA-N 1 0 465.440 3.650 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCC2)C[C@H]1C ZINC001313865887 1071394221 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1071406210 /nfs/dbraw/zinc/40/62/10/1071406210.db2.gz NOLWDRUUFPVDEX-QMCAAQAGSA-N 1 0 490.693 3.737 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)C[C@H]1C ZINC001313868994 1071407265 /nfs/dbraw/zinc/40/72/65/1071407265.db2.gz CBJSKHGTESTUBU-RTWAWAEBSA-N 1 0 452.647 3.566 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001313870085 1071411493 /nfs/dbraw/zinc/41/14/93/1071411493.db2.gz FKCNSJLTADQMSY-RTBURBONSA-N 1 0 479.595 3.923 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)c2ccsc2)C[C@H]1C ZINC001313869914 1071411508 /nfs/dbraw/zinc/41/15/08/1071411508.db2.gz CQSOHXDFJSHAFO-YTZAWJCFSA-N 1 0 457.619 3.896 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccoc2)C[C@H]1C ZINC001313869513 1071409291 /nfs/dbraw/zinc/40/92/91/1071409291.db2.gz PIYMAAUXXHQPHM-RTBURBONSA-N 1 0 472.634 3.953 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314948062 1071409378 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WVKLUFVSVOIPOH-JOCHJYFZSA-N 1 0 487.092 3.997 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001313898827 1071505793 /nfs/dbraw/zinc/50/57/93/1071505793.db2.gz FRTOTKCFSTXZDN-NRFANRHFSA-N 1 0 481.670 3.810 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314992196 1071508312 /nfs/dbraw/zinc/50/83/12/1071508312.db2.gz ANFQFYCFFZFKPF-VAMGGRTRSA-N 1 0 489.064 3.593 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001313900482 1071509397 /nfs/dbraw/zinc/50/93/97/1071509397.db2.gz OSVKTHMITQFKDF-FQEVSTJZSA-N 1 0 456.635 3.651 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001313900731 1071510197 /nfs/dbraw/zinc/51/01/97/1071510197.db2.gz RVGURAKRWSWRMF-ZCNNSNEGSA-N 1 0 460.667 3.654 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001313901952 1071512644 /nfs/dbraw/zinc/51/26/44/1071512644.db2.gz CHOVUCCWNVABPK-DEOSSOPVSA-N 1 0 466.674 3.679 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313901798 1071512716 /nfs/dbraw/zinc/51/27/16/1071512716.db2.gz HBMBXPTYBIIXTF-FPOVZHCZSA-N 1 0 485.677 3.898 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313902162 1071513099 /nfs/dbraw/zinc/51/30/99/1071513099.db2.gz KFSLKZUBXNMVFQ-ICSRJNTNSA-N 1 0 471.650 3.887 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001313902397 1071513171 /nfs/dbraw/zinc/51/31/71/1071513171.db2.gz XSTVZBUAGSJMIY-KRWDZBQOSA-N 1 0 459.392 3.740 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1SC ZINC001313904617 1071518169 /nfs/dbraw/zinc/51/81/69/1071518169.db2.gz RIUXXGXFXCEPBQ-OAQYLSRUSA-N 1 0 453.660 3.982 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313904829 1071519695 /nfs/dbraw/zinc/51/96/95/1071519695.db2.gz UZKDZUWRUAAWRW-VAMGGRTRSA-N 1 0 469.634 3.564 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313906546 1071523946 /nfs/dbraw/zinc/52/39/46/1071523946.db2.gz XQAGCGMOWCKXNY-BHIFYINESA-N 1 0 468.646 3.611 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313906597 1071524025 /nfs/dbraw/zinc/52/40/25/1071524025.db2.gz ZWNZVJCNTUJANM-VXKWHMMOSA-N 1 0 498.672 3.830 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001313906637 1071524974 /nfs/dbraw/zinc/52/49/74/1071524974.db2.gz YDLCODMRUFCQEP-SIKLNZKXSA-N 1 0 459.038 3.778 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315001813 1071525190 /nfs/dbraw/zinc/52/51/90/1071525190.db2.gz ODYTVSLACNKQPO-VXKWHMMOSA-N 1 0 466.674 3.536 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001315000403 1071521596 /nfs/dbraw/zinc/52/15/96/1071521596.db2.gz NQRDVXRRRCLJRQ-HXUWFJFHSA-N 1 0 459.038 3.681 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313905983 1071522613 /nfs/dbraw/zinc/52/26/13/1071522613.db2.gz WXMUZMYSRFWEOR-NFBKMPQASA-N 1 0 482.673 3.696 20 0 JHADRO CNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001315002412 1071527080 /nfs/dbraw/zinc/52/70/80/1071527080.db2.gz ZNBWCWFNQHPSJI-FGZHOGPDSA-N 1 0 496.700 3.884 20 0 JHADRO CNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001315003154 1071529267 /nfs/dbraw/zinc/52/92/67/1071529267.db2.gz QERPPXRFQAGGEL-QFIPXVFZSA-N 1 0 482.673 3.701 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCS(=O)CC1 ZINC001313908091 1071529406 /nfs/dbraw/zinc/52/94/06/1071529406.db2.gz LVGRATSVTZETBV-QFIPXVFZSA-N 1 0 473.687 3.813 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313908538 1071530391 /nfs/dbraw/zinc/53/03/91/1071530391.db2.gz CYWDCPFCCNPEKI-WOJBJXKFSA-N 1 0 471.650 3.604 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313909235 1071531982 /nfs/dbraw/zinc/53/19/82/1071531982.db2.gz PZYWCJUBXQVLOY-GOTSBHOMSA-N 1 0 482.673 3.946 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](SC)C1 ZINC001313910042 1071534063 /nfs/dbraw/zinc/53/40/63/1071534063.db2.gz UNFZZMQZIKRWPC-SFTDATJTSA-N 1 0 491.727 3.945 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC(N)=O ZINC001313910137 1071534654 /nfs/dbraw/zinc/53/46/54/1071534654.db2.gz VHNCXGLUOBLZAD-GOEBONIOSA-N 1 0 453.418 3.826 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313910625 1071535075 /nfs/dbraw/zinc/53/50/75/1071535075.db2.gz XQRCGXNDXDXMEO-OFNKIYASSA-N 1 0 496.681 3.739 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001313910581 1071535846 /nfs/dbraw/zinc/53/58/46/1071535846.db2.gz XCISZNVTXZLXDZ-MOPGFXCFSA-N 1 0 463.001 3.717 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313910588 1071535914 /nfs/dbraw/zinc/53/59/14/1071535914.db2.gz XCUCBWOOZDRONH-SFTDATJTSA-N 1 0 456.635 3.710 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313911814 1071538348 /nfs/dbraw/zinc/53/83/48/1071538348.db2.gz RGHAIEIOCFOEAI-UZKOGDIHSA-N 1 0 483.661 3.872 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001313911765 1071538413 /nfs/dbraw/zinc/53/84/13/1071538413.db2.gz LULSFQYTFRYHTH-QUCCMNQESA-N 1 0 499.603 3.710 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912614 1071540423 /nfs/dbraw/zinc/54/04/23/1071540423.db2.gz VCRNRBDLYANMBB-UXHICEINSA-N 1 0 471.650 3.509 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912616 1071540685 /nfs/dbraw/zinc/54/06/85/1071540685.db2.gz VCRNRBDLYANMBB-WOJBJXKFSA-N 1 0 471.650 3.509 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001315020929 1071541618 /nfs/dbraw/zinc/54/16/18/1071541618.db2.gz FIDNFOQHFKMUOI-NRFANRHFSA-N 1 0 479.673 3.766 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313912996 1071541759 /nfs/dbraw/zinc/54/17/59/1071541759.db2.gz PAYUMAUIJHVWEA-QHCPKHFHSA-N 1 0 466.674 3.746 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001313914334 1071546788 /nfs/dbraw/zinc/54/67/88/1071546788.db2.gz MMPMWHBXUJYOMP-MANSERQUSA-N 1 0 459.557 3.655 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313914449 1071547411 /nfs/dbraw/zinc/54/74/11/1071547411.db2.gz NFKOCSNZYJEFQA-CPJSRVTESA-N 1 0 457.619 3.745 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001315021546 1071542639 /nfs/dbraw/zinc/54/26/39/1071542639.db2.gz MVMDEIGOKFJLDY-QGZVFWFLSA-N 1 0 458.676 3.578 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCOC ZINC001313913505 1071543780 /nfs/dbraw/zinc/54/37/80/1071543780.db2.gz PRMMRKURZNWRJO-RTWAWAEBSA-N 1 0 478.682 3.740 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313913750 1071544244 /nfs/dbraw/zinc/54/42/44/1071544244.db2.gz LSDBIOHEKYZIJM-SFHVURJKSA-N 1 0 485.526 3.764 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001313913609 1071544496 /nfs/dbraw/zinc/54/44/96/1071544496.db2.gz QCMYVGSBOBNUKC-UNMCSNQZSA-N 1 0 477.650 3.609 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313914828 1071548805 /nfs/dbraw/zinc/54/88/05/1071548805.db2.gz OERJQVFYMZNYGO-IPMKNSEASA-N 1 0 487.611 3.965 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313915154 1071549960 /nfs/dbraw/zinc/54/99/60/1071549960.db2.gz QDFNUXYOSKUNCS-WMZOPIPTSA-N 1 0 495.455 3.740 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@@H+]2CCC[C@H]2C)CC1=O ZINC001313916736 1071553503 /nfs/dbraw/zinc/55/35/03/1071553503.db2.gz JRKXZMPVPGZOTC-GOSISDBHSA-N 1 0 489.462 3.559 20 0 JHADRO CCN1CCCN(c2nnc(-c3cccc(OC)c3)n2CCCCC[NH+]2CCCCC2)CC1=O ZINC001313916859 1071553549 /nfs/dbraw/zinc/55/35/49/1071553549.db2.gz LZJOZABTISFLDD-UHFFFAOYSA-N 1 0 468.646 3.669 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313916520 1071553025 /nfs/dbraw/zinc/55/30/25/1071553025.db2.gz YOWKXGWDUDXSAG-JOCHJYFZSA-N 1 0 482.673 3.735 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315028198 1071555463 /nfs/dbraw/zinc/55/54/63/1071555463.db2.gz ANDCZXWJGXUSPZ-RBUKOAKNSA-N 1 0 452.603 3.774 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001315028240 1071555516 /nfs/dbraw/zinc/55/55/16/1071555516.db2.gz BFUUNUJBJMBEAT-MRXNPFEDSA-N 1 0 497.507 3.852 20 0 JHADRO CCN1CCCN(c2nnc(C(C)C)n2CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1=O ZINC001313918162 1071555733 /nfs/dbraw/zinc/55/57/33/1071555733.db2.gz YRLHDETXLVLQKY-GMAHTHKFSA-N 1 0 452.647 3.761 20 0 JHADRO CCN1CCCN(c2nnc(C(C)C)n2CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1=O ZINC001313918160 1071555881 /nfs/dbraw/zinc/55/58/81/1071555881.db2.gz YRLHDETXLVLQKY-FYYLOGMGSA-N 1 0 452.647 3.761 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001315028687 1071556478 /nfs/dbraw/zinc/55/64/78/1071556478.db2.gz KGCFXEBHEXLREQ-LJQANCHMSA-N 1 0 451.619 3.511 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313919584 1071557483 /nfs/dbraw/zinc/55/74/83/1071557483.db2.gz CRGUVOOMQOUIIE-MJGOQNOKSA-N 1 0 480.629 3.514 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCCCCCC2)CC1 ZINC001313920534 1071559511 /nfs/dbraw/zinc/55/95/11/1071559511.db2.gz KEVDHCCLKATWSA-OAQYLSRUSA-N 1 0 470.662 3.759 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2ccon2)CC1 ZINC001313921575 1071562008 /nfs/dbraw/zinc/56/20/08/1071562008.db2.gz QLFSMQKYNHYGLZ-MOPGFXCFSA-N 1 0 488.036 3.722 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)Cc2ccco2)CC1 ZINC001313921843 1071562565 /nfs/dbraw/zinc/56/25/65/1071562565.db2.gz SZBFJKXWCDSGFA-GOSISDBHSA-N 1 0 487.446 3.963 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313924393 1071570163 /nfs/dbraw/zinc/57/01/63/1071570163.db2.gz DSSWZXGBFSSKLN-OALUTQOASA-N 1 0 498.569 3.658 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315035672 1071568606 /nfs/dbraw/zinc/56/86/06/1071568606.db2.gz SYHXWJGDYSTRRL-GAJHUEQPSA-N 1 0 491.478 3.790 20 0 JHADRO CNC(=O)CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CC[NH+](C2CC2)CC1 ZINC001315040645 1071572750 /nfs/dbraw/zinc/57/27/50/1071572750.db2.gz QJYLCVHPBYPEOH-UHFFFAOYSA-N 1 0 495.455 3.611 20 0 JHADRO CNC(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001315042969 1071575191 /nfs/dbraw/zinc/57/51/91/1071575191.db2.gz NANWKVGHWFQPME-UHFFFAOYSA-N 1 0 452.647 3.833 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313926460 1071576804 /nfs/dbraw/zinc/57/68/04/1071576804.db2.gz CJJDRFISSPYSFX-REWPJTCUSA-N 1 0 490.693 3.600 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313926560 1071576870 /nfs/dbraw/zinc/57/68/70/1071576870.db2.gz DICBRDGYKYOVAY-SVFBPWRDSA-N 1 0 476.616 3.674 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CCC([C@@H](O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313926981 1071578234 /nfs/dbraw/zinc/57/82/34/1071578234.db2.gz GRVYKTVQJRXKSA-YKSBVNFPSA-N 1 0 486.680 3.691 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313926998 1071578756 /nfs/dbraw/zinc/57/87/56/1071578756.db2.gz HBDUVDDMUXJXFI-JOCHJYFZSA-N 1 0 454.663 3.818 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313926987 1071578836 /nfs/dbraw/zinc/57/88/36/1071578836.db2.gz GTEVZOBKITXMSR-ZRBLBEILSA-N 1 0 454.663 3.592 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(N(C)CCC(F)F)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001313927242 1071579334 /nfs/dbraw/zinc/57/93/34/1071579334.db2.gz JITIXGCFDVLYOP-HXUWFJFHSA-N 1 0 460.617 3.866 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(C)(C)C)CC1 ZINC001313927856 1071581888 /nfs/dbraw/zinc/58/18/88/1071581888.db2.gz PGFSDFXJMGIHIO-JOCHJYFZSA-N 1 0 456.679 3.982 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001313927853 1071581907 /nfs/dbraw/zinc/58/19/07/1071581907.db2.gz PCTKYYYAONNBHD-NZQKXSOJSA-N 1 0 454.663 3.736 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001315074606 1071586566 /nfs/dbraw/zinc/58/65/66/1071586566.db2.gz QPLUENBFCMEPPP-JOCHJYFZSA-N 1 0 499.656 3.864 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313928590 1071583731 /nfs/dbraw/zinc/58/37/31/1071583731.db2.gz BTFVBNAMYXFVQR-IAGOWNOFSA-N 1 0 455.525 3.600 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001313928477 1071583739 /nfs/dbraw/zinc/58/37/39/1071583739.db2.gz PIGKRSMLNBMHNV-CTNGQTDRSA-N 1 0 459.708 3.532 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313928479 1071583782 /nfs/dbraw/zinc/58/37/82/1071583782.db2.gz PIGKRSMLNBMHNV-PZJWPPBQSA-N 1 0 459.708 3.532 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCC2)CC1 ZINC001313928618 1071584297 /nfs/dbraw/zinc/58/42/97/1071584297.db2.gz UNKJJLHPGQEVFZ-VXKWHMMOSA-N 1 0 489.709 3.757 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCOC2CCOCC2)C[C@@H]1C ZINC001313928636 1071584395 /nfs/dbraw/zinc/58/43/95/1071584395.db2.gz CBXBKGTTZOSEIY-VQTJNVASSA-N 1 0 475.609 3.673 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3F)nnc2N(C)C2CCCCC2)CC1 ZINC001313928746 1071584430 /nfs/dbraw/zinc/58/44/30/1071584430.db2.gz VXOLXYMCXJGBHX-HXUWFJFHSA-N 1 0 458.626 3.791 20 0 JHADRO CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001313929178 1071586132 /nfs/dbraw/zinc/58/61/32/1071586132.db2.gz NWDZJNXOHYRVDD-VWNXMTODSA-N 1 0 454.663 3.615 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)c2ccco2)C[C@@H]1C ZINC001313929660 1071587492 /nfs/dbraw/zinc/58/74/92/1071587492.db2.gz ICSKWNJYXFVVLI-LLJLJFOGSA-N 1 0 457.550 3.588 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOC[C@@H]2CCCO2)C[C@H]1C ZINC001313929856 1071587881 /nfs/dbraw/zinc/58/78/81/1071587881.db2.gz ATCYNFPJZJHPDJ-SJORKVTESA-N 1 0 498.491 3.885 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N(C)CC2CCCC2)CC1 ZINC001313929957 1071588015 /nfs/dbraw/zinc/58/80/15/1071588015.db2.gz ULJQBINEKGTLMZ-NRFANRHFSA-N 1 0 454.663 3.530 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(COC)cc2)C[C@@H]1C ZINC001313931521 1071592415 /nfs/dbraw/zinc/59/24/15/1071592415.db2.gz FCQMKBZUZZOUKF-KRWDZBQOSA-N 1 0 487.446 3.771 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001315081900 1071590915 /nfs/dbraw/zinc/59/09/15/1071590915.db2.gz YXZTVGOKYJJAQA-FCEUIQTBSA-N 1 0 469.630 3.765 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2csc(C(C)C)n2)C[C@H]1C ZINC001313931541 1071592442 /nfs/dbraw/zinc/59/24/42/1071592442.db2.gz FHAKINOCVKETTQ-DVECYGJZSA-N 1 0 476.691 3.672 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001313931423 1071591584 /nfs/dbraw/zinc/59/15/84/1071591584.db2.gz UBWNCIFDQMGHJG-QFIPXVFZSA-N 1 0 464.662 3.639 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@H]2c2ccc(COC)o2)CC1 ZINC001313931340 1071591645 /nfs/dbraw/zinc/59/16/45/1071591645.db2.gz XYALSEZLNJEXTL-IRLDBZIGSA-N 1 0 458.651 3.584 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2ccnc2C)C[C@@H]1C ZINC001313931297 1071591793 /nfs/dbraw/zinc/59/17/93/1071591793.db2.gz QVXZTSGVGGJTBI-ROUUACIJSA-N 1 0 458.010 3.807 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCOC2)C[C@@H]1C ZINC001313931823 1071593219 /nfs/dbraw/zinc/59/32/19/1071593219.db2.gz IWOJOHPRZBULQA-ZWKOTPCHSA-N 1 0 462.436 3.973 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(C)CCCS2)C[C@H]1C ZINC001313931682 1071593268 /nfs/dbraw/zinc/59/32/68/1071593268.db2.gz SDEQTRXMLLUGLL-UZUQRXQVSA-N 1 0 477.078 3.678 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)CC(F)(F)F)CC1 ZINC001313931970 1071593898 /nfs/dbraw/zinc/59/38/98/1071593898.db2.gz VISLCHXELGUUGN-KRWDZBQOSA-N 1 0 477.535 3.625 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(CSC)cc2)C[C@@H]1C ZINC001313932016 1071594297 /nfs/dbraw/zinc/59/42/97/1071594297.db2.gz GWSZPWWCDCZLTI-NBGIEHNGSA-N 1 0 473.687 3.760 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC2CCOCC2)C[C@H]1C ZINC001313933258 1071597780 /nfs/dbraw/zinc/59/77/80/1071597780.db2.gz ZNHHUSORQBHFJF-LJQANCHMSA-N 1 0 489.064 3.599 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313932377 1071595815 /nfs/dbraw/zinc/59/58/15/1071595815.db2.gz VHFOCDZAGNDMCH-RTWAWAEBSA-N 1 0 486.636 3.880 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2c(C)cccc2C)C[C@@H]1C ZINC001313932768 1071596056 /nfs/dbraw/zinc/59/60/56/1071596056.db2.gz IXGWXHMHFCEGCH-BKMJKUGQSA-N 1 0 455.647 3.709 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCSCCCO)C[C@H]1C ZINC001313933590 1071598312 /nfs/dbraw/zinc/59/83/12/1071598312.db2.gz PAVNCHOZRONOQE-QZTJIDSGSA-N 1 0 463.717 3.777 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2=CCCOC2)C[C@@H]1C ZINC001313933656 1071598329 /nfs/dbraw/zinc/59/83/29/1071598329.db2.gz PUHQLTKKRMKYCU-KRWDZBQOSA-N 1 0 460.420 3.893 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001313933520 1071598367 /nfs/dbraw/zinc/59/83/67/1071598367.db2.gz ZKDNPCGSKNNNNX-XXBNENTESA-N 1 0 476.616 3.850 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCC(OC)CC2)C[C@@H]1C ZINC001313934999 1071604240 /nfs/dbraw/zinc/60/42/40/1071604240.db2.gz UQRYGQNRJXPYHG-HJOIGYKYSA-N 1 0 465.440 3.771 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OC)cc2)C[C@H]1C ZINC001313935845 1071607392 /nfs/dbraw/zinc/60/73/92/1071607392.db2.gz ZYVORQSQIIQKJS-OAHLLOKOSA-N 1 0 459.392 3.623 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCCC(C)C)C[C@H]1C ZINC001313935983 1071607954 /nfs/dbraw/zinc/60/79/54/1071607954.db2.gz AQTHVUFKTKTDPC-FGZHOGPDSA-N 1 0 492.709 3.986 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313937298 1071610171 /nfs/dbraw/zinc/61/01/71/1071610171.db2.gz DVSPPJCZMLHWTL-OXJNMPFZSA-N 1 0 464.536 3.935 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ccc(F)c(Cl)c2)C[C@H]1C ZINC001313938988 1071612650 /nfs/dbraw/zinc/61/26/50/1071612650.db2.gz ZFVMEMSKXRUZIS-OXQOHEQNSA-N 1 0 451.974 3.922 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313940031 1071614169 /nfs/dbraw/zinc/61/41/69/1071614169.db2.gz UFCZUOSIKMZJOO-LJQANCHMSA-N 1 0 464.614 3.866 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(OC)cc2)C[C@@H]1C ZINC001313942834 1071621472 /nfs/dbraw/zinc/62/14/72/1071621472.db2.gz MNOKAAURBVXWQL-SESVDKBCSA-N 1 0 484.645 3.636 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)c2ccc(Cl)cc2)C[C@@H]1C ZINC001313941172 1071616304 /nfs/dbraw/zinc/61/63/04/1071616304.db2.gz ACJDBQNIONMFRD-SIKLNZKXSA-N 1 0 472.037 3.711 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC(C)C)C2)CC1 ZINC001313946005 1071627482 /nfs/dbraw/zinc/62/74/82/1071627482.db2.gz XKHWJRKDNZVZLU-DHIUTWEWSA-N 1 0 454.663 3.907 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@H](C)COC)C2)CC1 ZINC001313945324 1071626105 /nfs/dbraw/zinc/62/61/05/1071626105.db2.gz MZNMTRXKARQDFP-XUZZJYLKSA-N 1 0 468.690 3.741 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2cccc(F)c2)C[C@@H]1C ZINC001313946563 1071629318 /nfs/dbraw/zinc/62/93/18/1071629318.db2.gz BGRGYZHVUBMKTK-VLCRHTCISA-N 1 0 459.610 3.945 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)C[C@@H]1C ZINC001313946817 1071629797 /nfs/dbraw/zinc/62/97/97/1071629797.db2.gz CMHCYFURLVQFGJ-SKPFHBQLSA-N 1 0 459.610 3.978 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(F)(F)F)n3)C2)CC1 ZINC001313947265 1071631690 /nfs/dbraw/zinc/63/16/90/1071631690.db2.gz KCUGAJNKKCPENX-IBGZPJMESA-N 1 0 479.595 3.545 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCCSCC(C)C)C2)CC1 ZINC001313948476 1071633950 /nfs/dbraw/zinc/63/39/50/1071633950.db2.gz QSQUXXHMKVYAHO-OAQYLSRUSA-N 1 0 450.741 3.862 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)Cc2ccccn2)CC1 ZINC001313948665 1071634462 /nfs/dbraw/zinc/63/44/62/1071634462.db2.gz FLUJWJNQZXNVLS-HXUWFJFHSA-N 1 0 498.075 3.912 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CSc4ccc(Cl)cc4)n3C[C@@](C)(O)CC)C2)CC1 ZINC001313948748 1071634562 /nfs/dbraw/zinc/63/45/62/1071634562.db2.gz HPWSYRDFLODOAJ-YKSBVNFPSA-N 1 0 493.121 3.601 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313950610 1071639428 /nfs/dbraw/zinc/63/94/28/1071639428.db2.gz AKXSSYOPGKWDAX-RTBURBONSA-N 1 0 492.510 3.556 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001313950750 1071639305 /nfs/dbraw/zinc/63/93/05/1071639305.db2.gz QNLRGTORTACJIJ-NHCUHLMSSA-N 1 0 475.081 3.735 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CCCc4ccccc4)n3CC(C)(C)SC)C2)CC1 ZINC001313951180 1071641119 /nfs/dbraw/zinc/64/11/19/1071641119.db2.gz ZNIIKVVJNSZITE-QHCPKHFHSA-N 1 0 470.731 3.811 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCC(=Cc3cccc(OC)c3)CC2)CC1 ZINC001313951790 1071642977 /nfs/dbraw/zinc/64/29/77/1071642977.db2.gz WIHJVYPGAXADNQ-NRFANRHFSA-N 1 0 452.647 3.553 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3C)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001313951582 1071643091 /nfs/dbraw/zinc/64/30/91/1071643091.db2.gz VEXYMWODMBBYPE-LJQANCHMSA-N 1 0 485.080 3.550 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001313952047 1071644336 /nfs/dbraw/zinc/64/43/36/1071644336.db2.gz XHMOHPOCJFXDIP-VQTJNVASSA-N 1 0 475.081 3.876 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001313950818 1071640037 /nfs/dbraw/zinc/64/00/37/1071640037.db2.gz XOVSPTZGVUGRPD-HNNXBMFYSA-N 1 0 496.559 3.920 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001313952444 1071645855 /nfs/dbraw/zinc/64/58/55/1071645855.db2.gz QEDBXBJZVCWPCD-XPWALMASSA-N 1 0 484.689 3.764 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001313953949 1071648827 /nfs/dbraw/zinc/64/88/27/1071648827.db2.gz KFHIEPGTFJLGPG-DEOSSOPVSA-N 1 0 454.663 3.996 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001313953978 1071650090 /nfs/dbraw/zinc/65/00/90/1071650090.db2.gz LOUXWUXNIMXJMX-HSZRJFAPSA-N 1 0 454.663 3.534 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccccc2)CC1 ZINC001313954258 1071651290 /nfs/dbraw/zinc/65/12/90/1071651290.db2.gz MNLJKNQGIPLDDE-ZDXQCDESSA-N 1 0 454.663 3.991 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313954575 1071651768 /nfs/dbraw/zinc/65/17/68/1071651768.db2.gz BXOGHWDAHNKYQA-WOJBJXKFSA-N 1 0 459.708 3.534 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCS[C@@H](C)C2)CC1 ZINC001313955589 1071656023 /nfs/dbraw/zinc/65/60/23/1071656023.db2.gz SZUUGTCAZZDHAK-OALUTQOASA-N 1 0 463.095 3.814 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(C)n3)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001313956916 1071658854 /nfs/dbraw/zinc/65/88/54/1071658854.db2.gz MXVUXBUAWQPFIZ-UHFFFAOYSA-N 1 0 488.478 3.555 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC001313956808 1071658870 /nfs/dbraw/zinc/65/88/70/1071658870.db2.gz LJIPGLOVLSBWGN-HSZRJFAPSA-N 1 0 472.653 3.611 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001313957074 1071659577 /nfs/dbraw/zinc/65/95/77/1071659577.db2.gz PJYLTTXTZPERLQ-UHFFFAOYSA-N 1 0 477.657 3.630 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccnc3)nnc2N(Cc2cccs2)C(C)C)CC1 ZINC001313957848 1071661290 /nfs/dbraw/zinc/66/12/90/1071661290.db2.gz KVVNPFZXDHYKQH-UHFFFAOYSA-N 1 0 453.660 3.844 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccccc3C)nnc2N2CCC=C(Br)C2)CC1 ZINC001313957811 1071661320 /nfs/dbraw/zinc/66/13/20/1071661320.db2.gz JOWBRCCYPKAWRH-UHFFFAOYSA-N 1 0 473.463 3.770 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CSc3ccccc3OC)nnc2N2CCCCCC2)CC1 ZINC001313958605 1071664695 /nfs/dbraw/zinc/66/46/95/1071664695.db2.gz CYRTWWNDNXTJGD-UHFFFAOYSA-N 1 0 472.703 3.987 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001313958822 1071665310 /nfs/dbraw/zinc/66/53/10/1071665310.db2.gz YGUMXVDQCFRRPF-DHLKQENFSA-N 1 0 498.716 3.609 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccccc2F)CC1 ZINC001313959090 1071665666 /nfs/dbraw/zinc/66/56/66/1071665666.db2.gz KUMBHDJAIWLKEJ-ISKFKSNPSA-N 1 0 486.680 4.000 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccccc3OC)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313959797 1071667406 /nfs/dbraw/zinc/66/74/06/1071667406.db2.gz AJBLEIRIXIOHTK-QFIPXVFZSA-N 1 0 470.662 3.520 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001313959819 1071667478 /nfs/dbraw/zinc/66/74/78/1071667478.db2.gz BBGNYIHNXCWNFF-HXUWFJFHSA-N 1 0 491.080 3.542 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C(C)C)C2)CC1 ZINC001313960167 1071669332 /nfs/dbraw/zinc/66/93/32/1071669332.db2.gz FGSWDSUEYIATQY-NRFANRHFSA-N 1 0 458.626 3.506 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313960378 1071669831 /nfs/dbraw/zinc/66/98/31/1071669831.db2.gz KFQYIJIQQMXQEV-MYDTUXCISA-N 1 0 460.711 3.707 20 0 JHADRO CCn1nc(-c2nnc(N(C)CC(F)(F)F)n2CC[N@H+](C)C2CCCC2)c2ccccc2c1=O ZINC001313960871 1071670956 /nfs/dbraw/zinc/67/09/56/1071670956.db2.gz PENFKAYGJJYTQP-UHFFFAOYSA-N 1 0 477.535 3.548 20 0 JHADRO CCn1nc(-c2nnc(N(C)CCC(F)(F)F)n2CC[N@@H+]2CCC[C@H]2C)c2ccccc2c1=O ZINC001313961113 1071672362 /nfs/dbraw/zinc/67/23/62/1071672362.db2.gz QGUNXPQZJGPPBM-MRXNPFEDSA-N 1 0 477.535 3.548 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001313961824 1071673909 /nfs/dbraw/zinc/67/39/09/1071673909.db2.gz BLUANZYPVBMBCL-ROUUACIJSA-N 1 0 483.686 3.593 20 0 JHADRO CCn1nc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313965753 1071684707 /nfs/dbraw/zinc/68/47/07/1071684707.db2.gz DUCVIBFCWGZKLO-DCFHFQCYSA-N 1 0 495.672 3.657 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313972313 1071698191 /nfs/dbraw/zinc/69/81/91/1071698191.db2.gz ARRSRUJGXVMNNN-UHFFFAOYSA-N 1 0 468.690 3.926 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313971861 1071697112 /nfs/dbraw/zinc/69/71/12/1071697112.db2.gz PVQBAZZEJZZCAT-FQEVSTJZSA-N 1 0 469.678 3.916 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001313973762 1071701033 /nfs/dbraw/zinc/70/10/33/1071701033.db2.gz NYCUPTHCBNAKGX-OAQYLSRUSA-N 1 0 466.674 3.536 20 0 JHADRO CCNC(=O)C1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CCC1 ZINC001313975525 1071705903 /nfs/dbraw/zinc/70/59/03/1071705903.db2.gz RQKFBCGNLHIDRT-MOPGFXCFSA-N 1 0 489.064 3.908 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(CC(C)C)nnc2N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC001313981799 1071718489 /nfs/dbraw/zinc/71/84/89/1071718489.db2.gz INFLNAWLQPHZHU-JOCHJYFZSA-N 1 0 452.647 3.587 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(CC)nnc2N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC001313984012 1071721349 /nfs/dbraw/zinc/72/13/49/1071721349.db2.gz ZENLHVSQAFKEHT-JOCHJYFZSA-N 1 0 452.647 3.731 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001313993941 1071728519 /nfs/dbraw/zinc/72/85/19/1071728519.db2.gz LBLBBPWVSTVUDG-FQEVSTJZSA-N 1 0 469.678 3.824 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCCCC2)CC1 ZINC001314005459 1071741678 /nfs/dbraw/zinc/74/16/78/1071741678.db2.gz YSJRGOWCNAROIP-UHFFFAOYSA-N 1 0 492.093 3.561 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001314012576 1071748193 /nfs/dbraw/zinc/74/81/93/1071748193.db2.gz KRCSVGDGTRGZJN-RBBKRZOGSA-N 1 0 476.666 3.841 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC[N@H+](C)C(C)C)CC1 ZINC001314013536 1071751016 /nfs/dbraw/zinc/75/10/16/1071751016.db2.gz GURBTDBAYFFDEE-UHFFFAOYSA-N 1 0 479.629 3.891 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001314019170 1071767965 /nfs/dbraw/zinc/76/79/65/1071767965.db2.gz VBPGMMAQNZCMSZ-UHFFFAOYSA-N 1 0 462.664 3.718 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001314025549 1071786010 /nfs/dbraw/zinc/78/60/10/1071786010.db2.gz BGHZHOPLKZHJGY-FCHUYYIVSA-N 1 0 485.677 3.757 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCCC2)CC1 ZINC001314024768 1071783861 /nfs/dbraw/zinc/78/38/61/1071783861.db2.gz QSYBGDSLAUUSAO-UHFFFAOYSA-N 1 0 479.050 3.598 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314023760 1071780176 /nfs/dbraw/zinc/78/01/76/1071780176.db2.gz IHPXCWJRUWHYPP-VXKWHMMOSA-N 1 0 498.672 3.818 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001314025775 1071786485 /nfs/dbraw/zinc/78/64/85/1071786485.db2.gz DESVFOMBLGJXSL-VXKWHMMOSA-N 1 0 469.634 3.566 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001314032634 1071810678 /nfs/dbraw/zinc/81/06/78/1071810678.db2.gz MMHKWXBCZLATBH-QFIPXVFZSA-N 1 0 454.619 3.782 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](C)[NH+](C)C)C1 ZINC001314033862 1071815613 /nfs/dbraw/zinc/81/56/13/1071815613.db2.gz PYWFSSXROZASCY-PKOBYXMFSA-N 1 0 474.675 3.941 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+](C)CCOC)C1 ZINC001314034257 1071816824 /nfs/dbraw/zinc/81/68/24/1071816824.db2.gz RODOLAVPHKWSQY-JOCHJYFZSA-N 1 0 486.661 3.536 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314034603 1071818662 /nfs/dbraw/zinc/81/86/62/1071818662.db2.gz VRJATNNYSLBBAK-VQTJNVASSA-N 1 0 471.650 3.509 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001314036053 1071825196 /nfs/dbraw/zinc/82/51/96/1071825196.db2.gz ZFWFAWIEGZRVEE-IFMALSPDSA-N 1 0 484.645 3.789 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCCCC[NH+]2CCCC2)C1 ZINC001314037978 1071832644 /nfs/dbraw/zinc/83/26/44/1071832644.db2.gz HIQGTEMWIZYUMX-OAQYLSRUSA-N 1 0 469.634 3.630 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCC(C)CC2)C1 ZINC001314039227 1071836794 /nfs/dbraw/zinc/83/67/94/1071836794.db2.gz VJDWKLSAWNNEER-HSZRJFAPSA-N 1 0 468.646 3.624 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001314041022 1071842412 /nfs/dbraw/zinc/84/24/12/1071842412.db2.gz ZHFUOKVAJHFEIV-VXKWHMMOSA-N 1 0 454.619 3.736 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001314046570 1071863195 /nfs/dbraw/zinc/86/31/95/1071863195.db2.gz WERJWBVYKPRQAU-CTNGQTDRSA-N 1 0 474.675 3.910 20 0 JHADRO CCOC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001314047626 1071866113 /nfs/dbraw/zinc/86/61/13/1071866113.db2.gz CXEMJCYGUNFXQL-FQEVSTJZSA-N 1 0 492.462 3.824 20 0 JHADRO CCO[C@@H](C)c1noc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001314063061 1071903294 /nfs/dbraw/zinc/90/32/94/1071903294.db2.gz NPGJPRXKBBNUHX-VQTJNVASSA-N 1 0 482.633 3.886 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC001314073101 1071926188 /nfs/dbraw/zinc/92/61/88/1071926188.db2.gz BCEOABTVVZDFHY-MZLICYQSSA-N 1 0 477.675 3.546 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@H](C)c3ccc(OC)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CCOC1 ZINC001314074481 1071929815 /nfs/dbraw/zinc/92/98/15/1071929815.db2.gz KXVKIPXDHQYDOK-BTZRARBUSA-N 1 0 489.686 3.574 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)CCOC1 ZINC001314081753 1071945068 /nfs/dbraw/zinc/94/50/68/1071945068.db2.gz CZFLEVSCXRQUDW-UQBPGWFLSA-N 1 0 477.600 3.965 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3ccccc3F)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314083712 1071949404 /nfs/dbraw/zinc/94/94/04/1071949404.db2.gz SESIABZXOKTXDY-UMEGOILYSA-N 1 0 459.610 3.826 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3ccc(F)cc3)n2CC[C@H](C)[NH+]2CCCCC2)CCOC1 ZINC001314084289 1071950978 /nfs/dbraw/zinc/95/09/78/1071950978.db2.gz LNYQTOLVTBHORV-NBGIEHNGSA-N 1 0 459.610 3.970 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3csc(Br)c3)n2CC[N@@H+]2CCC[C@@H]2C)CCOC1 ZINC001314086538 1071957307 /nfs/dbraw/zinc/95/73/07/1071957307.db2.gz MEIHBSOSVFEIKG-KKSFZXQISA-N 1 0 498.491 3.875 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3ccc(OC)c(O)c3)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001314085706 1071955082 /nfs/dbraw/zinc/95/50/82/1071955082.db2.gz QHLWABLPMQCUAK-AREMUKBSSA-N 1 0 487.645 3.545 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H](C)O[C@H](CC)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)CCOC1 ZINC001314104252 1071992105 /nfs/dbraw/zinc/99/21/05/1071992105.db2.gz SEQUVOAAAFZUCI-GNMGOMLTSA-N 1 0 485.673 3.822 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CCC2CC(OC(C)(C)C)C2)CCOC1 ZINC001314105905 1071996408 /nfs/dbraw/zinc/99/64/08/1071996408.db2.gz WNLSROICLKZFTJ-WADCZYOHSA-N 1 0 477.694 3.833 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[C@H](C)[NH+]2CCCCC2)CCOC1 ZINC001314108208 1072000874 /nfs/dbraw/zinc/00/08/74/1072000874.db2.gz XBZZMZNZLAJDTD-AVRDEDQJSA-N 1 0 471.568 3.894 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC(C)(COC)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314109739 1072003306 /nfs/dbraw/zinc/00/33/06/1072003306.db2.gz QTUCPGXXNDNYDP-UMTXDNHDSA-N 1 0 491.721 3.940 20 0 JHADRO CCO[C@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H](CC)[NH+]2CCCC2)CCOC1 ZINC001314107842 1072000003 /nfs/dbraw/zinc/00/00/03/1072000003.db2.gz VZCYSGIJJHXYPL-GHTZIAJQSA-N 1 0 457.541 3.503 20 0 JHADRO CCO[C@]1(c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC001314107871 1072000146 /nfs/dbraw/zinc/00/01/46/1072000146.db2.gz WIHOWPXRYTXHOO-DNQXCXABSA-N 1 0 463.692 3.550 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2ccc(C)cc2F)CCOC1 ZINC001314113275 1072008923 /nfs/dbraw/zinc/00/89/23/1072008923.db2.gz SSYJSFWQMWWVIF-SANMLTNESA-N 1 0 473.637 3.983 20 0 JHADRO CCO[C@]1(c2nnc(N3CCc4cccc(F)c4[C@@H]3C)n2C[C@H](C)[NH+](CC)CC)CCOC1 ZINC001314118793 1072019738 /nfs/dbraw/zinc/01/97/38/1072019738.db2.gz GDTVADMOBRZGIC-XHNVNVPESA-N 1 0 459.610 3.923 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2C[C@@](C)(O)[C@H](C)CC)CCOC1 ZINC001314121429 1072024040 /nfs/dbraw/zinc/02/40/40/1072024040.db2.gz IUXMZSLRXQROIV-FKDDUOCFSA-N 1 0 491.721 3.676 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CC(F)(F)F)CCOC1 ZINC001314121941 1072025631 /nfs/dbraw/zinc/02/56/31/1072025631.db2.gz JRFQGDYAZUVIRW-WAOWUJCRSA-N 1 0 459.557 3.583 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2ccc(Cl)cc2OC)CCOC1 ZINC001314123947 1072028986 /nfs/dbraw/zinc/02/89/86/1072028986.db2.gz LGKVRMQOSCGFNC-VWLOTQADSA-N 1 0 492.064 3.951 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2nc(C(C)(C)C)cs2)CCOC1 ZINC001314123116 1072027379 /nfs/dbraw/zinc/02/73/79/1072027379.db2.gz HWJTZCOJLUIONL-DEOSSOPVSA-N 1 0 476.691 3.653 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2C[C@H](OC)C(C)C)CCOC1 ZINC001314127128 1072037013 /nfs/dbraw/zinc/03/70/13/1072037013.db2.gz UKXDPKSPMSIPSG-JCYRPKCISA-N 1 0 477.694 3.550 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC[C@@H](OC)C3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCOC1 ZINC001314131252 1072042398 /nfs/dbraw/zinc/04/23/98/1072042398.db2.gz OCEVEGHUTBWITR-UNIVCBNLSA-N 1 0 471.646 3.675 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2Cc2cccc(N(C)C)c2)CCOC1 ZINC001314135445 1072047884 /nfs/dbraw/zinc/04/78/84/1072047884.db2.gz LYFNRBOQBMVACH-MHZLTWQESA-N 1 0 484.689 3.603 20 0 JHADRO CCO[C@]1(c2nnc(N3CCCO[C@@H](c4ccccc4)C3)n2C[C@H](CC(C)C)[NH+](C)C)CCOC1 ZINC001314131715 1072043408 /nfs/dbraw/zinc/04/34/08/1072043408.db2.gz SNIAYHJXGNDKPK-CLCZQPDDSA-N 1 0 485.673 3.875 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCSc2ccccc2)CCOC1 ZINC001314134970 1072047401 /nfs/dbraw/zinc/04/74/01/1072047401.db2.gz JZYBFVLGRDAVNO-DEOSSOPVSA-N 1 0 459.660 3.501 20 0 JHADRO CCO[C@]1(c2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)CCOC1 ZINC001314139421 1072052583 /nfs/dbraw/zinc/05/25/83/1072052583.db2.gz AAWLFABHAZMWJJ-SGIRGMQISA-N 1 0 473.687 3.811 20 0 JHADRO CCO[C@]1(c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CCOC1 ZINC001314139613 1072053022 /nfs/dbraw/zinc/05/30/22/1072053022.db2.gz IRALFWAFWUIOBX-RMUDUWAUSA-N 1 0 477.694 3.692 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCSC(CC)(CC)C3)n2C[C@@H](c2ccco2)[NH+](C)C)CCOC1 ZINC001314143947 1072059599 /nfs/dbraw/zinc/05/95/99/1072059599.db2.gz LZNBQOXLPUULCD-CYFREDJKSA-N 1 0 477.675 3.938 20 0 JHADRO CCO[C@]1(c2nnc(N3CCSC(CC)(CC)C3)n2CC[NH+]2CCCCC2)CCOC1 ZINC001314144323 1072061160 /nfs/dbraw/zinc/06/11/60/1072061160.db2.gz NHUZKLWQZXLLMQ-HSZRJFAPSA-N 1 0 451.681 3.528 20 0 JHADRO CCc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001305924073 1068219899 /nfs/dbraw/zinc/21/98/99/1068219899.db2.gz LHWSDDDMKQGRFQ-PMACEKPBSA-N 1 0 452.603 3.940 20 0 JHADRO CCc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@H+](C)CCCOC)cc1 ZINC001305927688 1068225363 /nfs/dbraw/zinc/22/53/63/1068225363.db2.gz FVFPOXLTPJYZNP-PXNSSMCTSA-N 1 0 469.552 3.632 20 0 JHADRO CCc1ccc(-c2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001305928824 1068228028 /nfs/dbraw/zinc/22/80/28/1068228028.db2.gz LOAPJSXFCVNSAU-HXUWFJFHSA-N 1 0 455.647 3.870 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC(N(C)C(C)=O)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001305936290 1068238793 /nfs/dbraw/zinc/23/87/93/1068238793.db2.gz VKVWGZJSCPLPDP-FQEVSTJZSA-N 1 0 452.647 3.687 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001305936847 1068240670 /nfs/dbraw/zinc/24/06/70/1068240670.db2.gz NWGNQDHDHUZXGE-SZPZYZBQSA-N 1 0 496.700 3.702 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC(S(=O)(=O)CC)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001305937513 1068242397 /nfs/dbraw/zinc/24/23/97/1068242397.db2.gz MNXGVIGEEWVEOM-HXUWFJFHSA-N 1 0 473.687 3.643 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@H](C(=O)NC)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001305938974 1068245774 /nfs/dbraw/zinc/24/57/74/1068245774.db2.gz KOYJXYOKFAKSQE-XZOQPEGZSA-N 1 0 452.647 3.590 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@@H](CNC(C)=O)C3)n2C[C@H](CC)[NH+]2CCCC2)cc1 ZINC001305941461 1068250390 /nfs/dbraw/zinc/25/03/90/1068250390.db2.gz MAXDAVXNYNTCND-UPVQGACJSA-N 1 0 452.647 3.734 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@@H](OCCOC)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001305941700 1068251320 /nfs/dbraw/zinc/25/13/20/1068251320.db2.gz NDAGMBHQSJCFHI-ZJSXRUAMSA-N 1 0 455.647 3.871 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@H](NC(C)=O)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001305941811 1068251888 /nfs/dbraw/zinc/25/18/88/1068251888.db2.gz NPKKQHNFHCGJNV-SKPFHBQLSA-N 1 0 452.647 3.733 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CC(F)(F)Br)cc1 ZINC001305947297 1068263847 /nfs/dbraw/zinc/26/38/47/1068263847.db2.gz CHCIOJVHHZWTIZ-SFHVURJKSA-N 1 0 484.389 3.796 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001305947579 1068265504 /nfs/dbraw/zinc/26/55/04/1068265504.db2.gz HVDNJXQQKQVTJY-VQTJNVASSA-N 1 0 494.606 3.549 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001305947899 1068267035 /nfs/dbraw/zinc/26/70/35/1068267035.db2.gz OEUMMZFEUYDDMO-HXUWFJFHSA-N 1 0 458.557 3.791 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@H](CC)C3)n2C[C@@H]2CCOC[C@H]2C)cc1 ZINC001305948663 1068269864 /nfs/dbraw/zinc/26/98/64/1068269864.db2.gz CDCPYOCZPNADAW-FGCOXFRFSA-N 1 0 455.647 3.727 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2Cc2ccc(OC(C)C)nc2)cc1 ZINC001305948949 1068271041 /nfs/dbraw/zinc/27/10/41/1068271041.db2.gz DZEXLYHLEHLABO-OAQYLSRUSA-N 1 0 478.641 3.895 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2C[C@@H](C(CC)CC)[NH+](C)C)cc1 ZINC001305950701 1068274005 /nfs/dbraw/zinc/27/40/05/1068274005.db2.gz QKORCETWBFIOFM-PKTZIBPZSA-N 1 0 452.647 3.685 20 0 JHADRO CCc1ccc([C@@H]2CN(c3nnc(C(C)(C)C)n3CC3([NH+](C)C)CCOCC3)CCO2)cc1 ZINC001305955433 1068281891 /nfs/dbraw/zinc/28/18/91/1068281891.db2.gz RCQWKNYGNDWWNI-QFIPXVFZSA-N 1 0 455.647 3.827 20 0 JHADRO CCc1ccc([C@@H]2CN(c3nnc([C@@H](C)CC)n3C[C@@H](C)C[NH+]3CCOCC3)CCO2)cc1 ZINC001305956481 1068283355 /nfs/dbraw/zinc/28/33/55/1068283355.db2.gz VVNQHEWOWLYLIR-HFMPRLQTSA-N 1 0 455.647 3.900 20 0 JHADRO CCc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001305956702 1068283967 /nfs/dbraw/zinc/28/39/67/1068283967.db2.gz XGYDBRKDHOLGAS-VIZSFHNOSA-N 1 0 484.714 3.780 20 0 JHADRO CCc1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)cc1 ZINC001305957909 1068286873 /nfs/dbraw/zinc/28/68/73/1068286873.db2.gz BVCBLWDPBOVJQL-DNQXCXABSA-N 1 0 455.647 3.872 20 0 JHADRO CCc1ccc(CCn2c([C@@H]3CCCCO3)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)cc1 ZINC001305957913 1068287146 /nfs/dbraw/zinc/28/71/46/1068287146.db2.gz BVCBLWDPBOVJQL-RPWUZVMVSA-N 1 0 455.647 3.872 20 0 JHADRO CCc1ccc(CCn2c(-c3cccn3C)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)cc1 ZINC001305957994 1068287626 /nfs/dbraw/zinc/28/76/26/1068287626.db2.gz RCKANISHKYGEMF-HSZRJFAPSA-N 1 0 450.631 3.636 20 0 JHADRO Cc1cccc(C(=O)Nc2ccccc2C(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001305973313 1068308744 /nfs/dbraw/zinc/30/87/44/1068308744.db2.gz PXOMDCMVYYFNLJ-UHFFFAOYSA-N 1 0 456.590 3.972 20 0 JHADRO CCc1ccccc1OCc1nnc(N(C)Cc2cnn(C)c2C)n1CC1([NH+](C)C)CCC1 ZINC001305976193 1068315112 /nfs/dbraw/zinc/31/51/12/1068315112.db2.gz DHSQPXWLPDZYBO-UHFFFAOYSA-N 1 0 451.619 3.582 20 0 JHADRO CCc1ccccc1OCc1nnc(N(C)Cc2ccccn2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305977128 1068316831 /nfs/dbraw/zinc/31/68/31/1068316831.db2.gz VVHVLALJJNCDLD-VWLOTQADSA-N 1 0 466.655 3.888 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@H](OC)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305981516 1068325510 /nfs/dbraw/zinc/32/55/10/1068325510.db2.gz NZLLNPHYQRINAA-ZJSXRUAMSA-N 1 0 485.673 3.516 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001305987127 1068340502 /nfs/dbraw/zinc/34/05/02/1068340502.db2.gz SHLOFGWBTWOTKR-UHFFFAOYSA-N 1 0 496.700 3.989 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001305988566 1068345380 /nfs/dbraw/zinc/34/53/80/1068345380.db2.gz RZUJZENGUNFMAM-NRFANRHFSA-N 1 0 498.672 3.818 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305991054 1068352133 /nfs/dbraw/zinc/35/21/33/1068352133.db2.gz VQZDDSIMAQWBLN-VWPQPMDRSA-N 1 0 473.687 3.597 20 0 JHADRO CCc1cnc(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC001305995810 1068359491 /nfs/dbraw/zinc/35/94/91/1068359491.db2.gz OPJGFPYNZJEPAP-OALUTQOASA-N 1 0 483.686 3.807 20 0 JHADRO CCc1nc(C)c([C@H](C)N(C)c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)CCCC2)s1 ZINC001305999813 1068369208 /nfs/dbraw/zinc/36/92/08/1068369208.db2.gz FTFDVNDLZREAQW-KRWDZBQOSA-N 1 0 461.680 3.815 20 0 JHADRO CCc1csc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCCCCC3)C2)n1 ZINC001305999913 1068369483 /nfs/dbraw/zinc/36/94/83/1068369483.db2.gz VXLJPELDKCXBMK-IBGZPJMESA-N 1 0 473.691 3.695 20 0 JHADRO CCc1nc(C)c([C@H](C)N(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH+](CC)CC)s1 ZINC001306000566 1068371430 /nfs/dbraw/zinc/37/14/30/1068371430.db2.gz KHCNECJGPDCYMG-AEFFLSMTSA-N 1 0 461.680 3.769 20 0 JHADRO CCc1nc(C)c([C@@H](C)N(C)c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC001306003601 1068379695 /nfs/dbraw/zinc/37/96/95/1068379695.db2.gz MTCFAFODBQGXQE-KBMIEXCESA-N 1 0 484.670 3.757 20 0 JHADRO CCc1nc(C)c([C@@H](C)N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@H+]2CC)s1 ZINC001306006212 1068384542 /nfs/dbraw/zinc/38/45/42/1068384542.db2.gz VPXLFQIXEIJOIW-MSOLQXFVSA-N 1 0 482.658 3.934 20 0 JHADRO CCc1nc(CCn2c(-c3cccc(Cl)c3)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)no1 ZINC001306016098 1068399545 /nfs/dbraw/zinc/39/95/45/1068399545.db2.gz FTOHSODDDQMVLS-KRWDZBQOSA-N 1 0 458.010 3.955 20 0 JHADRO CCc1nc(CCn2c(-c3cccc(Br)c3)nnc2N2CC[NH+](CC(C)C)CC2)no1 ZINC001306018253 1068404614 /nfs/dbraw/zinc/40/46/14/1068404614.db2.gz VOFQRCZDHCATGJ-UHFFFAOYSA-N 1 0 488.434 3.674 20 0 JHADRO CCc1nc(CCn2c(Cc3ccccc3C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)no1 ZINC001306019657 1068409158 /nfs/dbraw/zinc/40/91/58/1068409158.db2.gz MIUYQJNHNQONNO-UHFFFAOYSA-N 1 0 465.646 3.922 20 0 JHADRO CCc1nc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)C[NH+]2CCCC2)cs1 ZINC001306023112 1068415615 /nfs/dbraw/zinc/41/56/15/1068415615.db2.gz CZBJXLQNLOHZLW-UHFFFAOYSA-N 1 0 482.658 3.703 20 0 JHADRO CCc1nc(CN(C)c2nnc(-c3cnn(C)c3)n2CCCC[NH+]2CCC(C)CC2)cs1 ZINC001306030057 1068428350 /nfs/dbraw/zinc/42/83/50/1068428350.db2.gz PXQGJRRSVRMODV-UHFFFAOYSA-N 1 0 456.664 3.846 20 0 JHADRO CCc1nc(Cn2c(-c3ccccc3OC)nnc2N2CC[NH+](CCOC(C)C)CC2)cs1 ZINC001306036706 1068443803 /nfs/dbraw/zinc/44/38/03/1068443803.db2.gz IYBNNENFRQZYRR-UHFFFAOYSA-N 1 0 470.643 3.568 20 0 JHADRO CCc1nn(C)c(CC)c1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001306044219 1068462617 /nfs/dbraw/zinc/46/26/17/1068462617.db2.gz YRVCDSNQZQMPTQ-RBUKOAKNSA-N 1 0 465.646 3.779 20 0 JHADRO CCc1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001306069455 1068505238 /nfs/dbraw/zinc/50/52/38/1068505238.db2.gz VONSYOSHIMBDKW-QNWVGRARSA-N 1 0 454.663 3.834 20 0 JHADRO CCc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@@H]1CCCc2cc(OC)ccc21 ZINC001306072277 1068506301 /nfs/dbraw/zinc/50/63/01/1068506301.db2.gz KSXGUQBYCWISFC-NRFANRHFSA-N 1 0 455.647 3.764 20 0 JHADRO CCc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001306073527 1068506950 /nfs/dbraw/zinc/50/69/50/1068506950.db2.gz DEXAQZUWHMUSBN-SFTDATJTSA-N 1 0 460.692 3.532 20 0 JHADRO CCc1nnc(N(C)Cc2ccc(OC)cc2OC)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001306078877 1068509968 /nfs/dbraw/zinc/50/99/68/1068509968.db2.gz FJQGAZDVRWLGRQ-UHFFFAOYSA-N 1 0 471.646 3.918 20 0 JHADRO CCc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001306080772 1068511269 /nfs/dbraw/zinc/51/12/69/1068511269.db2.gz BCINCGWSCYTZKK-IBGZPJMESA-N 1 0 461.536 3.894 20 0 JHADRO CCc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001306085146 1068513455 /nfs/dbraw/zinc/51/34/55/1068513455.db2.gz XPHGBDVWJWRLMG-IBGZPJMESA-N 1 0 458.010 3.710 20 0 JHADRO CCc1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CCC(=O)NC1CCCCC1 ZINC001306088752 1068514587 /nfs/dbraw/zinc/51/45/87/1068514587.db2.gz CKNICJONJVFGKU-QFIPXVFZSA-N 1 0 452.647 3.638 20 0 JHADRO CCc1nnc(N(CCNC(C)=O)Cc2ccc(C)s2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306102081 1068519012 /nfs/dbraw/zinc/51/90/12/1068519012.db2.gz PCVXSZTUICERPO-HOYKHHGWSA-N 1 0 460.692 3.864 20 0 JHADRO CCc1nnc(N(CCNC(C)=O)Cc2ccc(C)s2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306102083 1068519139 /nfs/dbraw/zinc/51/91/39/1068519139.db2.gz PCVXSZTUICERPO-MHECFPHRSA-N 1 0 460.692 3.864 20 0 JHADRO CCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001306113030 1068522954 /nfs/dbraw/zinc/52/29/54/1068522954.db2.gz UCUACQNCBTXTCC-DFQSSKMNSA-N 1 0 451.537 3.561 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001306117837 1068524822 /nfs/dbraw/zinc/52/48/22/1068524822.db2.gz LYIYHZUWOPWFSU-UHFFFAOYSA-N 1 0 458.695 3.828 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001306118386 1068525177 /nfs/dbraw/zinc/52/51/77/1068525177.db2.gz QTJKCRHPQZFKHM-FGZHOGPDSA-N 1 0 466.674 3.836 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001306120738 1068529209 /nfs/dbraw/zinc/52/92/09/1068529209.db2.gz SXMQEHVNZAEXOC-IBGZPJMESA-N 1 0 470.637 3.553 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001306142932 1068544861 /nfs/dbraw/zinc/54/48/61/1068544861.db2.gz FXHOJDHXBGHDAJ-OAQYLSRUSA-N 1 0 470.618 3.743 20 0 JHADRO CCc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001306143330 1068545291 /nfs/dbraw/zinc/54/52/91/1068545291.db2.gz FZVVEOKUHWLAKY-IBGZPJMESA-N 1 0 467.536 3.580 20 0 JHADRO CCc1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001306146645 1068549637 /nfs/dbraw/zinc/54/96/37/1068549637.db2.gz VDXXNOJKKZDOJG-OAQYLSRUSA-N 1 0 457.619 3.918 20 0 JHADRO CCc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001306155101 1068553722 /nfs/dbraw/zinc/55/37/22/1068553722.db2.gz JQPJIYMWEGUVBO-UHFFFAOYSA-N 1 0 459.520 3.734 20 0 JHADRO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001306157088 1068555424 /nfs/dbraw/zinc/55/54/24/1068555424.db2.gz MYCXMTBGVAWGAY-PMACEKPBSA-N 1 0 453.635 3.519 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@H+](C)C1CCCC1 ZINC001306157756 1068555744 /nfs/dbraw/zinc/55/57/44/1068555744.db2.gz QVYPACHWVPLEJC-QGZVFWFLSA-N 1 0 460.026 3.618 20 0 JHADRO CCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001306164717 1068560169 /nfs/dbraw/zinc/56/01/69/1068560169.db2.gz APGYCRALXLCMAT-RBBKRZOGSA-N 1 0 486.661 3.988 20 0 JHADRO CCc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001306167068 1068563293 /nfs/dbraw/zinc/56/32/93/1068563293.db2.gz ZKPHCRPSSLQRIW-DEOSSOPVSA-N 1 0 466.674 3.863 20 0 JHADRO CCc1nnc(N2CCCN(c3nccs3)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001306179488 1068569238 /nfs/dbraw/zinc/56/92/38/1068569238.db2.gz UQRHHNVPOPJAQQ-FQEVSTJZSA-N 1 0 453.660 3.924 20 0 JHADRO CCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001306180059 1068570722 /nfs/dbraw/zinc/57/07/22/1068570722.db2.gz DQCLRTGHNLZTQZ-UHFFFAOYSA-N 1 0 477.510 3.743 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001306180639 1068571843 /nfs/dbraw/zinc/57/18/43/1068571843.db2.gz VQSSUIAMULSPIN-QFIPXVFZSA-N 1 0 452.647 3.848 20 0 JHADRO CCc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001306186069 1068577633 /nfs/dbraw/zinc/57/76/33/1068577633.db2.gz RDDWTAFYFKDARO-QHCPKHFHSA-N 1 0 470.637 3.902 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001306188819 1068581181 /nfs/dbraw/zinc/58/11/81/1068581181.db2.gz RETCTFJRVXOABJ-LJQANCHMSA-N 1 0 456.635 3.786 20 0 JHADRO CCc1nnc(N2CCN(c3cc(C)ccc3C)CC2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001306194143 1068585498 /nfs/dbraw/zinc/58/54/98/1068585498.db2.gz RNBQCBUGBSJSCE-VWLOTQADSA-N 1 0 468.690 3.921 20 0 JHADRO CCc1nnc(N2CCN([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001306194848 1068586052 /nfs/dbraw/zinc/58/60/52/1068586052.db2.gz JADIGDCLZZUIFH-YADHBBJMSA-N 1 0 454.663 3.853 20 0 JHADRO CCc1nnc(N2CCN(c3ccc(F)c(OC)c3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001306196311 1068588201 /nfs/dbraw/zinc/58/82/01/1068588201.db2.gz CJKWEKGCEOPHAJ-FQEVSTJZSA-N 1 0 458.626 3.683 20 0 JHADRO CCc1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001306199139 1068591795 /nfs/dbraw/zinc/59/17/95/1068591795.db2.gz VXUDCKHUIIQDDE-QHCPKHFHSA-N 1 0 475.081 3.958 20 0 JHADRO CCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001306205571 1068596190 /nfs/dbraw/zinc/59/61/90/1068596190.db2.gz OCZBMYGLNSQDSP-IFMALSPDSA-N 1 0 468.646 3.951 20 0 JHADRO CCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001306205573 1068596630 /nfs/dbraw/zinc/59/66/30/1068596630.db2.gz OCZBMYGLNSQDSP-RBBKRZOGSA-N 1 0 468.646 3.951 20 0 JHADRO CCc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306205847 1068596861 /nfs/dbraw/zinc/59/68/61/1068596861.db2.gz XZYPJAJABWXGAV-VXKWHMMOSA-N 1 0 495.716 3.586 20 0 JHADRO CCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1cc(Br)cs1 ZINC001306210651 1068601388 /nfs/dbraw/zinc/60/13/88/1068601388.db2.gz VXYNXDSOOIPMSB-CALCHBBNSA-N 1 0 481.508 3.708 20 0 JHADRO CCc1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001306222074 1068609488 /nfs/dbraw/zinc/60/94/88/1068609488.db2.gz RAKWXZIVUDJKSH-OAQYLSRUSA-N 1 0 467.618 3.815 20 0 JHADRO CCc1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1Cc1ccccc1C[NH+](CC)CC ZINC001306223258 1068610243 /nfs/dbraw/zinc/61/02/43/1068610243.db2.gz VCTGCQIJKSZFEU-NRFANRHFSA-N 1 0 467.618 3.815 20 0 JHADRO CCc1noc(C)c1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001306232560 1068622063 /nfs/dbraw/zinc/62/20/63/1068622063.db2.gz GCTANIDTRRGQCD-UHFFFAOYSA-N 1 0 471.650 3.558 20 0 JHADRO CCc1noc(C)c1Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001306238784 1068633006 /nfs/dbraw/zinc/63/30/06/1068633006.db2.gz NTBLIHCOBUYDKK-UHFFFAOYSA-N 1 0 452.603 3.851 20 0 JHADRO CCc1nsc(N2CCCN(c3nnc(-c4ccc(Cl)cc4F)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001306239239 1068634660 /nfs/dbraw/zinc/63/46/60/1068634660.db2.gz CIQIXROVVKYWPC-OAHLLOKOSA-N 1 0 493.056 3.818 20 0 JHADRO CCc1nsc(N2CCN(c3nnc(C(C)C)n3C[C@H](c3cccs3)[NH+](C)C)CC2)n1 ZINC001306240515 1068640233 /nfs/dbraw/zinc/64/02/33/1068640233.db2.gz FBXFXIGBMMNXHW-MRXNPFEDSA-N 1 0 460.677 3.506 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001306246199 1068653495 /nfs/dbraw/zinc/65/34/95/1068653495.db2.gz SCKLYYMOIOETKY-WMQCIHAUSA-N 1 0 489.064 3.907 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@H+](C)C1CCCC1 ZINC001306246697 1068654698 /nfs/dbraw/zinc/65/46/98/1068654698.db2.gz WBLHQFJOZBFINK-UNMCSNQZSA-N 1 0 468.646 3.624 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCC[NH+](C(C)C)C(C)C ZINC001306255308 1068662762 /nfs/dbraw/zinc/66/27/62/1068662762.db2.gz PIYKUCQIYGRJII-OAQYLSRUSA-N 1 0 461.054 3.746 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CC[N@H+](C)C1CCCCC1 ZINC001306259234 1068667491 /nfs/dbraw/zinc/66/74/91/1068667491.db2.gz DGDJPUATFLRUGF-FQEVSTJZSA-N 1 0 486.686 3.558 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001306259846 1068668115 /nfs/dbraw/zinc/66/81/15/1068668115.db2.gz MOHIRFOVFJJCNC-UEVCKROQSA-N 1 0 468.646 3.887 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001306262462 1068673889 /nfs/dbraw/zinc/67/38/89/1068673889.db2.gz XWMUMNDRDWSRSM-FYYLOGMGSA-N 1 0 482.673 3.744 20 0 JHADRO CC[C@H]1[C@H](C)CCN1c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+](C)CCOC ZINC001306265516 1068679385 /nfs/dbraw/zinc/67/93/85/1068679385.db2.gz WHNNMUUIIMSVFM-AEFFLSMTSA-N 1 0 467.456 3.639 20 0 JHADRO CC[C@H]1[C@H](C)CCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[N@H+](C)C(C)C ZINC001306266772 1068681437 /nfs/dbraw/zinc/68/14/37/1068681437.db2.gz NHAJNIDQZHEJQW-QUCCMNQESA-N 1 0 461.680 3.593 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(CN2CCCC2=O)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001306271454 1068684469 /nfs/dbraw/zinc/68/44/69/1068684469.db2.gz DOQHQNMGCOFVMS-FUPPJEDESA-N 1 0 452.647 3.936 20 0 JHADRO CC[C@H]1[C@@H](C)CCN1c1nnc(COc2ccccc2F)n1CCCN1CC[NH+](CC)CC1 ZINC001306275715 1068689295 /nfs/dbraw/zinc/68/92/95/1068689295.db2.gz HOEWVLAIUSQMDA-UNMCSNQZSA-N 1 0 458.626 3.649 20 0 JHADRO CC[C@@H]1c2ccsc2CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001306276331 1068690479 /nfs/dbraw/zinc/69/04/79/1068690479.db2.gz DHFWHIBOBIEAKZ-RLLQIKCJSA-N 1 0 494.731 3.584 20 0 JHADRO CC[C@H]1[C@@H](C)CCN1c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306279367 1068694281 /nfs/dbraw/zinc/69/42/81/1068694281.db2.gz SETAOSSIQLLQDT-URXFXBBRSA-N 1 0 469.674 3.932 20 0 JHADRO CC[C@@H]1c2ccsc2CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001306283776 1068700749 /nfs/dbraw/zinc/70/07/49/1068700749.db2.gz VKOKMOISGASYLM-ILZDJORESA-N 1 0 494.731 3.584 20 0 JHADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C)[NH+](CC)CC ZINC001306289538 1068707348 /nfs/dbraw/zinc/70/73/48/1068707348.db2.gz GAXPWNVQILJYQZ-CEXWTWQISA-N 1 0 451.619 3.547 20 0 JHADRO CC[C@@H]1CC2(CCC2)CN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001306301765 1068718376 /nfs/dbraw/zinc/71/83/76/1068718376.db2.gz UDSRZAMDQDCOFA-OAQYLSRUSA-N 1 0 468.646 3.564 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001306316741 1068736698 /nfs/dbraw/zinc/73/66/98/1068736698.db2.gz GJENLKPZWKEHLQ-HXUWFJFHSA-N 1 0 483.661 3.974 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001306318556 1068741996 /nfs/dbraw/zinc/74/19/96/1068741996.db2.gz GYSZYSZVFRBBAA-KRWDZBQOSA-N 1 0 462.549 3.604 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001306318925 1068743229 /nfs/dbraw/zinc/74/32/29/1068743229.db2.gz PQNAPWLTWPWLHS-BAGYTPMASA-N 1 0 486.636 3.927 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306319769 1068746705 /nfs/dbraw/zinc/74/67/05/1068746705.db2.gz WLVHCTPZSMDZAJ-RBUKOAKNSA-N 1 0 476.572 3.513 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001306320228 1068748241 /nfs/dbraw/zinc/74/82/41/1068748241.db2.gz RSFAOAFELDTVGD-QKNQBKEWSA-N 1 0 491.727 3.943 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001306320364 1068748792 /nfs/dbraw/zinc/74/87/92/1068748792.db2.gz UONQSWMUPAHYQE-QFIPXVFZSA-N 1 0 451.619 3.897 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001306321183 1068750926 /nfs/dbraw/zinc/75/09/26/1068750926.db2.gz BMOBFCVRTUNCCS-ADYITMSISA-N 1 0 474.694 3.553 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306321068 1068750944 /nfs/dbraw/zinc/75/09/44/1068750944.db2.gz YLUBBJMCXSOTMI-ROUUACIJSA-N 1 0 468.067 3.732 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC001306321193 1068751565 /nfs/dbraw/zinc/75/15/65/1068751565.db2.gz ZUAZTDVTYNHJOI-RBZQAINGSA-N 1 0 496.700 3.886 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 ZINC001306321668 1068751580 /nfs/dbraw/zinc/75/15/80/1068751580.db2.gz HBVRXIIVXXFHSB-FGZHOGPDSA-N 1 0 490.693 3.884 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCc1ccccc1 ZINC001306321583 1068751714 /nfs/dbraw/zinc/75/17/14/1068751714.db2.gz FRSKVSRPCJNFFR-DHIUTWEWSA-N 1 0 473.687 3.514 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306321749 1068752482 /nfs/dbraw/zinc/75/24/82/1068752482.db2.gz BMFRHCVBMMHADQ-NRFANRHFSA-N 1 0 494.606 3.826 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCS(=O)(=O)CC ZINC001306322305 1068753181 /nfs/dbraw/zinc/75/31/81/1068753181.db2.gz JGPUPJKMGUXFIF-LJQANCHMSA-N 1 0 472.659 3.562 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](SC)C1 ZINC001306322486 1068753648 /nfs/dbraw/zinc/75/36/48/1068753648.db2.gz HKRLUCXNWOBDJK-CBPXPLCBSA-N 1 0 465.708 3.989 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306322650 1068754425 /nfs/dbraw/zinc/75/44/25/1068754425.db2.gz HXZCIQDSDWOQJV-QHAWAJNXSA-N 1 0 476.666 3.840 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306323126 1068756033 /nfs/dbraw/zinc/75/60/33/1068756033.db2.gz JPBDOGVXHYBWEY-ILBGXUMGSA-N 1 0 466.674 3.746 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306323169 1068756486 /nfs/dbraw/zinc/75/64/86/1068756486.db2.gz KAHWZZBUXLFINU-DHIUTWEWSA-N 1 0 497.688 3.974 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001306324518 1068759754 /nfs/dbraw/zinc/75/97/54/1068759754.db2.gz PLPQXZXHBQRLQQ-GOTSBHOMSA-N 1 0 482.673 3.701 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001306324708 1068760333 /nfs/dbraw/zinc/76/03/33/1068760333.db2.gz VBCXCDOPZCVCIV-UZLBHIALSA-N 1 0 463.001 3.923 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001306324707 1068760458 /nfs/dbraw/zinc/76/04/58/1068760458.db2.gz VBCXCDOPZCVCIV-OXQOHEQNSA-N 1 0 463.001 3.923 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001306325745 1068762862 /nfs/dbraw/zinc/76/28/62/1068762862.db2.gz YUCRFUZBFOOVLQ-XUVXKRRUSA-N 1 0 472.600 3.509 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](COC)C1 ZINC001306326158 1068763634 /nfs/dbraw/zinc/76/36/34/1068763634.db2.gz XIMJWMWVMKOJIE-XZOQPEGZSA-N 1 0 471.646 3.590 20 0 JHADRO CC[C@H]1CCCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CC[N@H+](C)C(C)C)C1 ZINC001306334986 1068772254 /nfs/dbraw/zinc/77/22/54/1068772254.db2.gz RPBNOBLIZUIXCO-IBGZPJMESA-N 1 0 451.619 3.642 20 0 JHADRO CC[C@@H]1CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001306342428 1068779056 /nfs/dbraw/zinc/77/90/56/1068779056.db2.gz QPYNIPBWCZGYEQ-KCZVDYSFSA-N 1 0 458.626 3.962 20 0 JHADRO CC[C@H]1CCCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCN(C)CC(F)(F)F ZINC001306355700 1068790605 /nfs/dbraw/zinc/79/06/05/1068790605.db2.gz PRZQUVCBYACUBU-NRFANRHFSA-N 1 0 493.622 3.516 20 0 JHADRO CC[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC)CC1)[NH+]1CCCC1 ZINC001306360874 1068795971 /nfs/dbraw/zinc/79/59/71/1068795971.db2.gz FXSRMHXTEIOCMA-QFIPXVFZSA-N 1 0 488.702 3.696 20 0 JHADRO CC[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001306361188 1068795987 /nfs/dbraw/zinc/79/59/87/1068795987.db2.gz HOBSUKYDOFTSGG-NQIIRXRSSA-N 1 0 459.038 3.778 20 0 JHADRO CC[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001306367734 1068803043 /nfs/dbraw/zinc/80/30/43/1068803043.db2.gz KJACCOMRJWYYLX-SFHVURJKSA-N 1 0 475.479 3.970 20 0 JHADRO CCC1CCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001306380827 1068812307 /nfs/dbraw/zinc/81/23/07/1068812307.db2.gz FQUKEIBBDAMIBN-QFIPXVFZSA-N 1 0 486.636 3.565 20 0 JHADRO CC[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1)[NH+]1CCCC1 ZINC001306387077 1068821410 /nfs/dbraw/zinc/82/14/10/1068821410.db2.gz BZVNRKFUZVCZIL-BVYCBKJFSA-N 1 0 489.064 3.740 20 0 JHADRO CC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](C)c2nc(-c3ccccc3)no2)CC[N@@H+]1CCOC ZINC001306387043 1068821420 /nfs/dbraw/zinc/82/14/20/1068821420.db2.gz BVVBYJANPLROQC-FPOVZHCZSA-N 1 0 481.645 3.976 20 0 JHADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)CCS1 ZINC001306393977 1068835790 /nfs/dbraw/zinc/83/57/90/1068835790.db2.gz UJTUNRGTLXWXCV-IRXDYDNUSA-N 1 0 471.656 3.622 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)C[C@@H](C)O1 ZINC001306395190 1068839262 /nfs/dbraw/zinc/83/92/62/1068839262.db2.gz PNQHLCJRYIBBJN-JCTONOIOSA-N 1 0 485.673 3.885 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC2(C)C)CC[N@@H+]1CCOC ZINC001306397099 1068846851 /nfs/dbraw/zinc/84/68/51/1068846851.db2.gz LNTIPPZYHWURLO-WMZOPIPTSA-N 1 0 479.467 3.639 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCN(CC)CC2)CCS1 ZINC001306404023 1068868392 /nfs/dbraw/zinc/86/83/92/1068868392.db2.gz SRSIZSJTWVEGNF-NRFANRHFSA-N 1 0 494.656 3.906 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCC[N@@H+]2CCCO)CCS1 ZINC001306405056 1068871124 /nfs/dbraw/zinc/87/11/24/1068871124.db2.gz YBGLIIBISORFNF-UXHICEINSA-N 1 0 450.052 3.777 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2Cc2nccs2)CC[N@@H+]1CCOC ZINC001306405675 1068874221 /nfs/dbraw/zinc/87/42/21/1068874221.db2.gz FWYQHUYXXVXXSK-AWEZNQCLSA-N 1 0 497.488 3.821 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](OC)C2CC2)CC[N@@H+]1CCOC ZINC001306406811 1068878734 /nfs/dbraw/zinc/87/87/34/1068878734.db2.gz PCKJSIOSFPQHIB-IAGOWNOFSA-N 1 0 498.491 3.741 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001306407408 1068881442 /nfs/dbraw/zinc/88/14/42/1068881442.db2.gz YKPAKLKVAZTTAD-AWEZNQCLSA-N 1 0 456.454 3.972 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001306407444 1068882201 /nfs/dbraw/zinc/88/22/01/1068882201.db2.gz ZFAJTJVARLNLCT-RTWAWAEBSA-N 1 0 492.462 3.680 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1N1CCOCC1 ZINC001306408567 1068885792 /nfs/dbraw/zinc/88/57/92/1068885792.db2.gz KUPPNRDZXXXLCQ-CEMLEFRQSA-N 1 0 490.096 3.517 20 0 JHADRO C[C@@H](CNC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1)[NH+]1CCCCC1 ZINC001306415056 1068902906 /nfs/dbraw/zinc/90/29/06/1068902906.db2.gz ORMOHTOWZLSRFD-KRWDZBQOSA-N 1 0 450.649 3.937 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001306416375 1068905265 /nfs/dbraw/zinc/90/52/65/1068905265.db2.gz RBHHTTYFKBZACS-IRFCIJBXSA-N 1 0 457.619 3.698 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C[N@H+](C)C(C)C)C[C@H](C)O1 ZINC001306419258 1068911132 /nfs/dbraw/zinc/91/11/32/1068911132.db2.gz CDLGVNLKWUBAQA-WMZHIEFXSA-N 1 0 451.619 3.571 20 0 JHADRO CC[C@H]1CN(c2nnc(C3CCC3)n2CCc2nc(C(F)(F)F)cs2)CC[N@@H+]1CCOC ZINC001306424422 1068918434 /nfs/dbraw/zinc/91/84/34/1068918434.db2.gz GJHGKXXRDGKCKN-INIZCTEOSA-N 1 0 472.581 3.811 20 0 JHADRO 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C[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)cc2)CC1 ZINC001310660931 1069093959 /nfs/dbraw/zinc/09/39/59/1069093959.db2.gz STGCIEBOJVGTOA-UHFFFAOYSA-N 1 0 456.497 3.743 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001306508600 1069095981 /nfs/dbraw/zinc/09/59/81/1069095981.db2.gz ZFLNEPZTCYHCKW-NRFANRHFSA-N 1 0 475.081 3.995 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001306509703 1069099469 /nfs/dbraw/zinc/09/94/69/1069099469.db2.gz ZCBMUJLTWKHVQU-TZIWHRDSSA-N 1 0 487.718 3.639 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCCC2)CC1 ZINC001306510822 1069103221 /nfs/dbraw/zinc/10/32/21/1069103221.db2.gz JVCYANFJWXGASR-UHFFFAOYSA-N 1 0 489.462 3.689 20 0 JHADRO CCNC(=O)Nc1cccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)c1C ZINC001310685704 1069110130 /nfs/dbraw/zinc/11/01/30/1069110130.db2.gz MKENROCTDYNLPY-NFBKMPQASA-N 1 0 453.587 3.795 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306514996 1069116134 /nfs/dbraw/zinc/11/61/34/1069116134.db2.gz AHVKQVWCRJDLIS-FGZHOGPDSA-N 1 0 467.662 3.593 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306515699 1069119506 /nfs/dbraw/zinc/11/95/06/1069119506.db2.gz SGVJHSVFVJCSRB-RBBKRZOGSA-N 1 0 460.667 3.527 20 0 JHADRO COc1c(NC(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)cc(Cl)cc1C(N)=O ZINC001310716445 1069131023 /nfs/dbraw/zinc/13/10/23/1069131023.db2.gz KVVHQMOXXCZGLQ-MRXNPFEDSA-N 1 0 458.868 3.891 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(C)n2C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC001306519679 1069137805 /nfs/dbraw/zinc/13/78/05/1069137805.db2.gz QNYBVICGKCXOSN-QPPBQGQZSA-N 1 0 468.646 3.565 20 0 JHADRO Cc1c(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnn1CCOc1ccc(F)cc1 ZINC001310725920 1069138307 /nfs/dbraw/zinc/13/83/07/1069138307.db2.gz MOWRXHREFIFUMG-OAQYLSRUSA-N 1 0 452.534 3.591 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001306520402 1069140582 /nfs/dbraw/zinc/14/05/82/1069140582.db2.gz YZLIJQHTJMFZQN-VSKRKVRLSA-N 1 0 490.737 3.887 20 0 JHADRO CCC[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306530383 1069169354 /nfs/dbraw/zinc/16/93/54/1069169354.db2.gz WORJQTNQWBYPDS-AMGIVPHBSA-N 1 0 485.673 3.887 20 0 JHADRO CCOC(=O)[C@@H]1CCCc2sc(NC(=O)NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)nc21 ZINC001310813539 1069174820 /nfs/dbraw/zinc/17/48/20/1069174820.db2.gz RTJDIDBVZODBPC-MAUKXSAKSA-N 1 0 457.600 3.868 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001306532889 1069175364 /nfs/dbraw/zinc/17/53/64/1069175364.db2.gz RKBSBFWTWOFXCD-DEOSSOPVSA-N 1 0 472.037 3.595 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306533956 1069176789 /nfs/dbraw/zinc/17/67/89/1069176789.db2.gz XJNRDBJCPZEUSW-NLFFAJNJSA-N 1 0 475.081 3.754 20 0 JHADRO O=C(Nc1ccc(Cl)cc1OCC(F)F)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001310824125 1069179083 /nfs/dbraw/zinc/17/90/83/1069179083.db2.gz SPOZJDWCZIYWDG-WMZOPIPTSA-N 1 0 453.917 3.988 20 0 JHADRO CCC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001306537351 1069183024 /nfs/dbraw/zinc/18/30/24/1069183024.db2.gz RISQLZQARPQJMX-LMMUWCHVSA-N 1 0 490.693 3.617 20 0 JHADRO CCC[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001306538242 1069184782 /nfs/dbraw/zinc/18/47/82/1069184782.db2.gz WKZADRDXCYSPID-ATIYNZHBSA-N 1 0 455.647 3.824 20 0 JHADRO Cc1c(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)cccc1S(=O)(=O)N(C)C ZINC001310869321 1069201228 /nfs/dbraw/zinc/20/12/28/1069201228.db2.gz ISUVSLJQMGDNJT-SXLOBPIMSA-N 1 0 458.628 3.761 20 0 JHADRO COc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1S(C)(=O)=O ZINC001310879341 1069206338 /nfs/dbraw/zinc/20/63/38/1069206338.db2.gz HFYWAWXFBKFZCC-HLAWJBBLSA-N 1 0 457.596 3.521 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001306548543 1069209156 /nfs/dbraw/zinc/20/91/56/1069209156.db2.gz LVPSQTTZWJLETJ-SFTDATJTSA-N 1 0 482.673 3.817 20 0 JHADRO CC(C)(C)OC(=O)NCC[C@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC001310886606 1069210134 /nfs/dbraw/zinc/21/01/34/1069210134.db2.gz PDXATVRUFADKJU-ROUUACIJSA-N 1 0 458.525 3.653 20 0 JHADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc(SCc2ccccc2)c(Br)c1 ZINC001310917565 1069221001 /nfs/dbraw/zinc/22/10/01/1069221001.db2.gz CRKDLJYPTUYQKQ-KRWDZBQOSA-N 1 0 450.402 3.930 20 0 JHADRO Cc1nn(C)c(NC(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1Cl ZINC001310927651 1069223485 /nfs/dbraw/zinc/22/34/85/1069223485.db2.gz OJZFYLSHMYTAFX-UHFFFAOYSA-N 1 0 458.916 3.735 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)N[C@@H](C[C@@H]3CCCO3)C(F)(F)F)cc2)C[C@H](C)O1 ZINC001310933961 1069226537 /nfs/dbraw/zinc/22/65/37/1069226537.db2.gz CRHKHPMSORRRDY-JWWGGVBKSA-N 1 0 457.537 3.937 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001306558944 1069229048 /nfs/dbraw/zinc/22/90/48/1069229048.db2.gz JSRBARVJGJYRHW-DENIHFKCSA-N 1 0 451.623 3.668 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001306567180 1069234786 /nfs/dbraw/zinc/23/47/86/1069234786.db2.gz PIZXJBQRLAVWBA-PMACEKPBSA-N 1 0 461.614 3.997 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[N@@H+]1CC ZINC001306567638 1069235231 /nfs/dbraw/zinc/23/52/31/1069235231.db2.gz MVOUJVHPOZESAR-MJGOQNOKSA-N 1 0 461.680 3.656 20 0 JHADRO O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001310981335 1069239268 /nfs/dbraw/zinc/23/92/68/1069239268.db2.gz GAPDFPJRZZYCOA-UHFFFAOYSA-N 1 0 455.506 3.989 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001306581400 1069246038 /nfs/dbraw/zinc/24/60/38/1069246038.db2.gz PNMQNRBAYMZGNU-FQEVSTJZSA-N 1 0 492.709 3.864 20 0 JHADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001306584317 1069249997 /nfs/dbraw/zinc/24/99/97/1069249997.db2.gz GQOGAAUKMUOGIT-FKBYEOEOSA-N 1 0 474.694 3.568 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001306585328 1069251323 /nfs/dbraw/zinc/25/13/23/1069251323.db2.gz MBIZSTROJVSLKZ-QOXFPCGXSA-N 1 0 488.721 3.671 20 0 JHADRO CN(C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2)C1CC[NH+](CCc2ccccn2)CC1 ZINC001311140982 1069282316 /nfs/dbraw/zinc/28/23/16/1069282316.db2.gz PMSMJEOIGMMNRA-UHFFFAOYSA-N 1 0 451.571 3.610 20 0 JHADRO CC(C)(C)OC(=O)NCC1(CCNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC001311164000 1069287148 /nfs/dbraw/zinc/28/71/48/1069287148.db2.gz RNLIVGNXRQCVCD-NRFANRHFSA-N 1 0 457.619 3.788 20 0 JHADRO Cc1c(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc(Br)cc1C(F)(F)F ZINC001311232126 1069303892 /nfs/dbraw/zinc/30/38/92/1069303892.db2.gz PQUDWKBASLAULS-CYBMUJFWSA-N 1 0 450.299 3.962 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(CC)cc3)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001306619995 1069305008 /nfs/dbraw/zinc/30/50/08/1069305008.db2.gz MRMMBXNPQJPRKK-VWLOTQADSA-N 1 0 468.690 3.786 20 0 JHADRO COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)[NH+]2CCCC2)cc1 ZINC000009053658 194512406 /nfs/dbraw/zinc/51/24/06/194512406.db2.gz PWXFLDSPCVUKEE-CPJSRVTESA-N 1 0 485.650 3.825 20 0 JHADRO c1ccc(SCc2nc3sc4c(c3c(N3CCN5CC[NH2+]C[C@@H]5C3)n2)CCCC4)cc1 ZINC001164402851 718839474 /nfs/dbraw/zinc/83/94/74/718839474.db2.gz HXIVANPOABMPSH-QGZVFWFLSA-N 1 0 451.665 3.956 20 0 JHADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)n2)CC1 ZINC001164401350 718853513 /nfs/dbraw/zinc/85/35/13/718853513.db2.gz BDIKOHHJFKURNK-BXKMTCNYSA-N 1 0 469.680 3.670 20 0 JHADRO CCOC(=O)c1cnc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164618229 719055686 /nfs/dbraw/zinc/05/56/86/719055686.db2.gz AFNDANMGQHQQGT-FUHWJXTLSA-N 1 0 450.917 3.952 20 0 JHADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164625382 719056055 /nfs/dbraw/zinc/05/60/55/719056055.db2.gz PJMYLCKKZVNORT-WMZOPIPTSA-N 1 0 450.917 3.952 20 0 JHADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625145 719089952 /nfs/dbraw/zinc/08/99/52/719089952.db2.gz GWHAYERUZSLNBK-SIKLNZKXSA-N 1 0 450.583 3.954 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](c3ccccc3)[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)nc1 ZINC001164631511 719143874 /nfs/dbraw/zinc/14/38/74/719143874.db2.gz NOVBRSNRGSYBHY-ITLAICGJSA-N 1 0 489.664 3.539 20 0 JHADRO O=S1(=O)c2ccccc2[C@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)N1Cc1ccccc1 ZINC001164650392 719322659 /nfs/dbraw/zinc/32/26/59/719322659.db2.gz DIHDLUZYVLINGS-HHHXNRCGSA-N 1 0 474.630 3.988 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2ccnc(N(C)C)n2)C3)nc1 ZINC001164665379 719357489 /nfs/dbraw/zinc/35/74/89/719357489.db2.gz VPAOUDUMWFEKOT-YIXXDRMTSA-N 1 0 479.673 3.608 20 0 JHADRO COC(=O)c1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1Cl ZINC001164682768 719658687 /nfs/dbraw/zinc/65/86/87/719658687.db2.gz SVZLLIKGHKQYNQ-SFHVURJKSA-N 1 0 485.028 3.615 20 0 JHADRO CCOC(=O)c1cc(C)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681690 719661698 /nfs/dbraw/zinc/66/16/98/719661698.db2.gz PWECGZWIRQMBTL-OAQYLSRUSA-N 1 0 478.637 3.660 20 0 JHADRO COc1cc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681890 719666027 /nfs/dbraw/zinc/66/60/27/719666027.db2.gz OAXWSGQKQMFYIL-SFHVURJKSA-N 1 0 457.018 3.837 20 0 JHADRO COC(=O)c1c(C)cc(C)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680474 719667887 /nfs/dbraw/zinc/66/78/87/719667887.db2.gz FZZSWNIXIJQISD-NRFANRHFSA-N 1 0 478.637 3.578 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4ncsc43)CC2)c2ccccc21 ZINC001164680015 719668929 /nfs/dbraw/zinc/66/89/29/719668929.db2.gz AVIYTBQJLYGGLL-INIZCTEOSA-N 1 0 485.057 3.833 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN([C@@H](F)Oc3ccc(Cl)nc3)CC2)c2ccccc21 ZINC001164680759 719669292 /nfs/dbraw/zinc/66/92/92/719669292.db2.gz HIWLLQPMVZRURZ-HOYKHHGWSA-N 1 0 475.008 3.956 20 0 JHADRO COc1ccc2nc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ncc2c1 ZINC001164681962 719670360 /nfs/dbraw/zinc/67/03/60/719670360.db2.gz OQAZCUVVKGAUQX-FQEVSTJZSA-N 1 0 473.621 3.732 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc4nc[nH]c4cc3Cl)CC2)c2ccccc21 ZINC001164685529 719671989 /nfs/dbraw/zinc/67/19/89/719671989.db2.gz VHBYCOVUVLAZCW-KRWDZBQOSA-N 1 0 467.017 3.705 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3nccnc3Cl)CC2)c2ccccc21 ZINC001164681053 719676383 /nfs/dbraw/zinc/67/63/83/719676383.db2.gz JBYUWYLGUFSONM-KRWDZBQOSA-N 1 0 477.987 3.768 20 0 JHADRO COc1ccnc(Cl)c1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685572 719680438 /nfs/dbraw/zinc/68/04/38/719680438.db2.gz LGFZAAVUNIIKSW-GOSISDBHSA-N 1 0 457.018 3.837 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cncc(N4CCCCCC4)n3)CC2)c2ccccc21 ZINC001164686829 719681034 /nfs/dbraw/zinc/68/10/34/719681034.db2.gz XEZGICAUPQTYCY-QHCPKHFHSA-N 1 0 490.696 3.950 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)CC2)c2ccccc21 ZINC001164686533 719682705 /nfs/dbraw/zinc/68/27/05/719682705.db2.gz OJMVIPNXVWSLFV-GOSISDBHSA-N 1 0 492.998 3.612 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164686056 719722190 /nfs/dbraw/zinc/72/21/90/719722190.db2.gz OSLLLSKFVIELFO-UHFFFAOYSA-N 1 0 458.340 3.662 20 0 JHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)cc(O[C@H]4CCOC4)n2)CC3)cs1 ZINC001164704465 719816773 /nfs/dbraw/zinc/81/67/73/719816773.db2.gz YBQJPDYGMZCCRH-KRWDZBQOSA-N 1 0 450.008 3.698 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CSCC3)CC2 ZINC001164709616 720100872 /nfs/dbraw/zinc/10/08/72/720100872.db2.gz BKVMZJYOMAXMFJ-GOSISDBHSA-N 1 0 460.047 3.822 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164711171 720104940 /nfs/dbraw/zinc/10/49/40/720104940.db2.gz OWYSCLXRNZMJHN-XMMPIXPASA-N 1 0 459.594 3.958 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164715469 720118262 /nfs/dbraw/zinc/11/82/62/720118262.db2.gz FZJWSOCPJYIEOP-DEOSSOPVSA-N 1 0 459.594 3.958 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)CC2 ZINC001164716925 720125352 /nfs/dbraw/zinc/12/53/52/720125352.db2.gz LMXHRDGOIDOERL-QHCPKHFHSA-N 1 0 473.625 3.507 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164711233 720132645 /nfs/dbraw/zinc/13/26/45/720132645.db2.gz GGQHVVPJQJNNNX-DEOSSOPVSA-N 1 0 459.594 3.958 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(N)c1)CC2 ZINC001164710458 720136745 /nfs/dbraw/zinc/13/67/45/720136745.db2.gz BQCDSSSJRDZBAW-GOSISDBHSA-N 1 0 451.949 3.765 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)CC2 ZINC001164712480 720137214 /nfs/dbraw/zinc/13/72/14/720137214.db2.gz MNWAYDGZPHGLKP-IBGZPJMESA-N 1 0 494.970 3.969 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)Nc1cc(C)on1)CC2 ZINC001164713914 720139111 /nfs/dbraw/zinc/13/91/11/720139111.db2.gz UELVXCHECNEDDW-NRFANRHFSA-N 1 0 476.581 3.533 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)CC2 ZINC001164713589 720140966 /nfs/dbraw/zinc/14/09/66/720140966.db2.gz SIFHQABIYVMXMP-RDGATRHJSA-N 1 0 477.653 3.856 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(N3CCC(C)CC3)nn1)CC2 ZINC001164711692 720142817 /nfs/dbraw/zinc/14/28/17/720142817.db2.gz HXKGGEMVDKLMQR-QHCPKHFHSA-N 1 0 450.631 3.615 20 0 JHADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c2c1 ZINC001164819428 720158901 /nfs/dbraw/zinc/15/89/01/720158901.db2.gz WZDOIJPFZBZONA-UUOWRZLLSA-N 1 0 458.990 3.645 20 0 JHADRO Cn1nnc2c1CCN(c1ncnc3scc(-c4ccccc4)c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164716580 720174325 /nfs/dbraw/zinc/17/43/25/720174325.db2.gz ICDRKQJSRZQXQZ-NRFANRHFSA-N 1 0 475.622 3.703 20 0 JHADRO Cn1nnc2c1CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716577 720179193 /nfs/dbraw/zinc/17/91/93/720179193.db2.gz IBDVBTRAEPTJEW-HXUWFJFHSA-N 1 0 476.959 3.778 20 0 JHADRO Cn1nnc2c1CCN(C(F)(F)c1cc3ccccc3nc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164713425 720189506 /nfs/dbraw/zinc/18/95/06/720189506.db2.gz CFPCIVUWBLREAS-FQEVSTJZSA-N 1 0 476.959 3.778 20 0 JHADRO Cn1nnc2c1CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715062 720197037 /nfs/dbraw/zinc/19/70/37/720197037.db2.gz IVVDKMUGTPMZLC-XMMPIXPASA-N 1 0 487.583 3.781 20 0 JHADRO Cn1nnc2c1CCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713415 720197418 /nfs/dbraw/zinc/19/74/18/720197418.db2.gz BTGMMJLOPCXFTI-XMMPIXPASA-N 1 0 487.583 3.781 20 0 JHADRO Cc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164714966 720202869 /nfs/dbraw/zinc/20/28/69/720202869.db2.gz HUZTZQAEXXMFKD-XMMPIXPASA-N 1 0 496.059 3.682 20 0 JHADRO CCc1ccc(Oc2nc(Cl)ncc2N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)cc1 ZINC001164720145 720205927 /nfs/dbraw/zinc/20/59/27/720205927.db2.gz WKFCOVQZTXSGHL-QFIPXVFZSA-N 1 0 498.031 3.829 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc3ccsc3c(Cl)n1)CCC2 ZINC001164811328 720215622 /nfs/dbraw/zinc/21/56/22/720215622.db2.gz GHIQNCITTQBGIK-UHFFFAOYSA-N 1 0 468.961 3.697 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(Cl)nc1Oc1ccc(F)cc1)CCC2 ZINC001164812547 720238398 /nfs/dbraw/zinc/23/83/98/720238398.db2.gz GVJFFIHOQJHLNV-UHFFFAOYSA-N 1 0 472.952 3.869 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)c3ccccc3n2)CC1 ZINC001164820098 720295602 /nfs/dbraw/zinc/29/56/02/720295602.db2.gz GSEOPQJFMGNTJZ-RTBURBONSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc3ccsc3c(Cl)n2)CC1 ZINC001164828265 720304215 /nfs/dbraw/zinc/30/42/15/720304215.db2.gz ZOCCVEFGIQJLTL-CVEARBPZSA-N 1 0 469.989 3.801 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)cc(Cc3ccccc3)n2)CC1 ZINC001164831389 720330841 /nfs/dbraw/zinc/33/08/41/720330841.db2.gz RSHDLPAYJVFMOX-VXKWHMMOSA-N 1 0 454.018 3.632 20 0 JHADRO Cc1cccc(Sc2cncc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164829495 720331816 /nfs/dbraw/zinc/33/18/16/720331816.db2.gz MUHVUQQVSYPQGE-FCHUYYIVSA-N 1 0 451.640 3.848 20 0 JHADRO Cc1cccc(Sc2cncc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164829496 720332350 /nfs/dbraw/zinc/33/23/50/720332350.db2.gz MUHVUQQVSYPQGE-FGZHOGPDSA-N 1 0 451.640 3.848 20 0 JHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828729 720338739 /nfs/dbraw/zinc/33/87/39/720338739.db2.gz POADPQAMRKOJFJ-ZPZUNKDASA-N 1 0 476.669 3.920 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CC1 ZINC001164831704 720339347 /nfs/dbraw/zinc/33/93/47/720339347.db2.gz ZSDNMRZMSNWAIO-DHIUTWEWSA-N 1 0 482.028 3.899 20 0 JHADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)o2)cc1 ZINC001164830194 720340928 /nfs/dbraw/zinc/34/09/28/720340928.db2.gz VNPBWRQYUYGNHI-RTWAWAEBSA-N 1 0 460.582 3.505 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cccc3c(Cl)ncnc32)CC1 ZINC001164829975 720341492 /nfs/dbraw/zinc/34/14/92/720341492.db2.gz URGZLTRIGKMNQB-OALUTQOASA-N 1 0 463.960 3.740 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc(Cl)c2c1 ZINC001164827984 720342252 /nfs/dbraw/zinc/34/22/52/720342252.db2.gz NPSSCHCGNFVTFJ-VQTJNVASSA-N 1 0 493.986 3.748 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)Oc2ccc(Cl)nc2Cl)CC1 ZINC001164822800 720351348 /nfs/dbraw/zinc/35/13/48/720351348.db2.gz FIXUAAJEZIPMEH-LSDHHAIUSA-N 1 0 463.356 3.725 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2ccccc2F)CC1 ZINC001164824288 720352572 /nfs/dbraw/zinc/35/25/72/720352572.db2.gz HVFGVWILSJYLNS-RBUKOAKNSA-N 1 0 473.980 3.973 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccnc(CSc3ccccc3)n2)CC1 ZINC001164821694 720352675 /nfs/dbraw/zinc/35/26/75/720352675.db2.gz BIQBBQFPQRHJMB-YADHBBJMSA-N 1 0 451.640 3.680 20 0 JHADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826668 720353981 /nfs/dbraw/zinc/35/39/81/720353981.db2.gz KRIHFIAYCRMVIE-RTBURBONSA-N 1 0 486.016 3.842 20 0 JHADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827784 720356053 /nfs/dbraw/zinc/35/60/53/720356053.db2.gz MMEVMOCFYMRAQX-WOJBJXKFSA-N 1 0 460.981 3.947 20 0 JHADRO O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164728308 720500231 /nfs/dbraw/zinc/50/02/31/720500231.db2.gz PAJRPLMBGFSVOE-LSYYVWMOSA-N 1 0 469.589 3.659 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)CC[C@@H]21 ZINC001164834878 720523002 /nfs/dbraw/zinc/52/30/02/720523002.db2.gz HTVFMUGFYHUSIQ-RDBSUJKOSA-N 1 0 481.819 3.954 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3CCN(Cc3ccccc3)C4)CC[C@@H]21 ZINC001164842932 720535192 /nfs/dbraw/zinc/53/51/92/720535192.db2.gz ZASNPHMKPHGPTI-DPZBCOQUSA-N 1 0 471.653 3.609 20 0 JHADRO CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1)OCC ZINC001164842477 720544783 /nfs/dbraw/zinc/54/47/83/720544783.db2.gz XOLBXFXFXCUAAC-SFHLNBCPSA-N 1 0 477.053 3.646 20 0 JHADRO COC(=O)c1cc2c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH]c(Cl)cc-2n1 ZINC001164833570 720574307 /nfs/dbraw/zinc/57/43/07/720574307.db2.gz AGFULHGEIPOVOW-TWOQFEAHSA-N 1 0 456.978 3.577 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(NC(=O)OC(C)(C)C)c4nc[nH]c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842751 720595432 /nfs/dbraw/zinc/59/54/32/720595432.db2.gz VKFFBJQJCBXSOX-WSTZPKSXSA-N 1 0 480.617 3.879 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)CC[C@@H]21 ZINC001164842173 720631347 /nfs/dbraw/zinc/63/13/47/720631347.db2.gz UBCCNXTXRFZBJY-SQNIBIBYSA-N 1 0 477.947 3.904 20 0 JHADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164839226 720632418 /nfs/dbraw/zinc/63/24/18/720632418.db2.gz MOESBVSYGLGVRB-DNVJHFABSA-N 1 0 459.598 3.612 20 0 JHADRO COC(=O)c1c(Cl)cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1OC ZINC001164838202 720706692 /nfs/dbraw/zinc/70/66/92/720706692.db2.gz HHNNLIFDQQDWOQ-SFHVURJKSA-N 1 0 459.974 3.790 20 0 JHADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737271 720707879 /nfs/dbraw/zinc/70/78/79/720707879.db2.gz DYONAJVIJVSIPH-KGLIPLIRSA-N 1 0 467.307 3.613 20 0 JHADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737273 720708424 /nfs/dbraw/zinc/70/84/24/720708424.db2.gz DYONAJVIJVSIPH-ZIAGYGMSSA-N 1 0 467.307 3.613 20 0 JHADRO Cc1cc(NC(=O)c2cccnc2N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)no1 ZINC001164842310 720709903 /nfs/dbraw/zinc/70/99/03/720709903.db2.gz YDRFJKXJPOQNBS-NRFANRHFSA-N 1 0 461.566 3.890 20 0 JHADRO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842573 720741265 /nfs/dbraw/zinc/74/12/65/720741265.db2.gz FVUAAIWPLGSRRX-UHFFFAOYSA-N 1 0 466.323 3.686 20 0 JHADRO FC(F)(c1nc(Cl)ncc1Cl)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164841927 720741381 /nfs/dbraw/zinc/74/13/81/720741381.db2.gz AXXFAQRDCBGNMC-UHFFFAOYSA-N 1 0 466.323 3.686 20 0 JHADRO COc1ccc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)c(Cl)n1 ZINC001164843933 720742252 /nfs/dbraw/zinc/74/22/52/720742252.db2.gz MSGRFHOZQWDJQP-UHFFFAOYSA-N 1 0 460.916 3.646 20 0 JHADRO Fc1ccc(-c2nc(Cl)cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1Cl ZINC001164749989 720800942 /nfs/dbraw/zinc/80/09/42/720800942.db2.gz UYELXLCFMUHLNU-LSDHHAIUSA-N 1 0 461.328 3.721 20 0 JHADRO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164747824 720802865 /nfs/dbraw/zinc/80/28/65/720802865.db2.gz POOVEXHWXMXLBV-HUUCEWRRSA-N 1 0 459.337 3.708 20 0 JHADRO Cc1sc2nc(CN3CCCCC3)nc(-n3nc(C(=O)N4CCC[C@H]4C)c4c3CC[NH2+]C4)c2c1C ZINC001164850555 720806207 /nfs/dbraw/zinc/80/62/07/720806207.db2.gz JIEHKVGZGOTPFZ-MRXNPFEDSA-N 1 0 493.681 3.750 20 0 JHADRO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744944 720814094 /nfs/dbraw/zinc/81/40/94/720814094.db2.gz JXSYEPQALSPZEP-RLFYNMQTSA-N 1 0 457.356 3.904 20 0 JHADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1Cl ZINC001164739158 720819343 /nfs/dbraw/zinc/81/93/43/720819343.db2.gz HIQLFCBPBDUBQU-JFIYKMOQSA-N 1 0 479.412 3.536 20 0 JHADRO Clc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741268 720825066 /nfs/dbraw/zinc/82/50/66/720825066.db2.gz MWVCGMYXEMVIKL-JTDSTZFVSA-N 1 0 458.397 3.908 20 0 JHADRO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@H]5[C@H](C[C@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c23)C1 ZINC001164744468 720827438 /nfs/dbraw/zinc/82/74/38/720827438.db2.gz ULYNEUMJNLIHGQ-XLBJILASSA-N 1 0 463.655 3.787 20 0 JHADRO O=C(c1ccccc1)n1ccc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164748340 720842975 /nfs/dbraw/zinc/84/29/75/720842975.db2.gz UHSOUMIHDUFVHM-DSNGMDLFSA-N 1 0 481.604 3.696 20 0 JHADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739412 720849068 /nfs/dbraw/zinc/84/90/68/720849068.db2.gz ADWHXJBIDGCDIJ-ABSDTBQOSA-N 1 0 463.964 3.523 20 0 JHADRO c1ncn(C[C@@H]2C[C@H]3CN(c4cc(SCc5ccccc5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748687 720853497 /nfs/dbraw/zinc/85/34/97/720853497.db2.gz LRKSJJZLHXGTRL-RJGXRXQPSA-N 1 0 461.639 3.740 20 0 JHADRO CCOC(=O)c1ccc(C)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748578 720868288 /nfs/dbraw/zinc/86/82/88/720868288.db2.gz FYDIOKVANADZSS-YIXXDRMTSA-N 1 0 464.610 3.717 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4sc(C)c(C)c43)CC[C@H]2C1 ZINC001164856565 720875548 /nfs/dbraw/zinc/87/55/48/720875548.db2.gz IGYFWPJNPLBBGO-VQTJNVASSA-N 1 0 453.612 3.544 20 0 JHADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751465 720876186 /nfs/dbraw/zinc/87/61/86/720876186.db2.gz KHLNHXOVQKRLNX-LXFBAYGMSA-N 1 0 487.604 3.567 20 0 JHADRO Clc1nnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2cnccc12 ZINC001164747103 720876225 /nfs/dbraw/zinc/87/62/25/720876225.db2.gz AAILPDNECCDUTE-CJFMBICVSA-N 1 0 465.001 3.828 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(CN4CCC(C)CC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164864410 720876440 /nfs/dbraw/zinc/87/64/40/720876440.db2.gz VRTFHRJLXHZVGQ-IFMALSPDSA-N 1 0 499.725 3.585 20 0 JHADRO COC(=O)c1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164753411 720876976 /nfs/dbraw/zinc/87/69/76/720876976.db2.gz PJOWURBQJCVPEJ-YWEHKCAJSA-N 1 0 487.604 3.567 20 0 JHADRO CCOC(=O)c1cc(C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164749880 720877874 /nfs/dbraw/zinc/87/78/74/720877874.db2.gz IBSRFWFXMNKYDC-KCWPFWIISA-N 1 0 464.610 3.717 20 0 JHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncnc4cc5c(cc42)OCCO5)C3)c1 ZINC001164747369 720878050 /nfs/dbraw/zinc/87/80/50/720878050.db2.gz BGPBDMSBWADNIU-SKCUWOTOSA-N 1 0 487.604 3.551 20 0 JHADRO COC(=O)c1cc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754485 720878570 /nfs/dbraw/zinc/87/85/70/720878570.db2.gz RWNXVQKZBNCQTB-NLFFAJNJSA-N 1 0 471.001 3.672 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@H]2C1 ZINC001164865259 720882232 /nfs/dbraw/zinc/88/22/32/720882232.db2.gz ZHDGUZOMCCPUQX-PXNSSMCTSA-N 1 0 452.933 3.515 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)CC[C@@H]2C1 ZINC001164856724 720883181 /nfs/dbraw/zinc/88/31/81/720883181.db2.gz JBMGBKFCISVNMQ-XXBNENTESA-N 1 0 457.018 3.849 20 0 JHADRO COC(=O)c1c(C)cc(C)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756001 720888191 /nfs/dbraw/zinc/88/81/91/720888191.db2.gz NZFCTLBXJAHJRD-KCWPFWIISA-N 1 0 464.610 3.635 20 0 JHADRO CC(C)(C)NC(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164754559 720890408 /nfs/dbraw/zinc/89/04/08/720890408.db2.gz JJAHJJIGCUSLPN-UFHPHHKVSA-N 1 0 477.653 3.760 20 0 JHADRO Clc1nc2ncsc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755691 720890976 /nfs/dbraw/zinc/89/09/76/720890976.db2.gz MQDAJMAMIDZODH-FDDCHVKYSA-N 1 0 471.030 3.890 20 0 JHADRO CCOc1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757149 720893242 /nfs/dbraw/zinc/89/32/42/720893242.db2.gz SYQJGAFNGROZEQ-RDPSFJRHSA-N 1 0 458.006 3.679 20 0 JHADRO COC(=O)c1cc2ccncc2nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753961 720894115 /nfs/dbraw/zinc/89/41/15/720894115.db2.gz HXXWMIVVTUTBNA-QDPGVEIFSA-N 1 0 487.604 3.567 20 0 JHADRO Cc1noc(-c2cccnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753160 720913214 /nfs/dbraw/zinc/91/32/14/720913214.db2.gz QQFGGLRFGRSHEK-BKMJKUGQSA-N 1 0 460.582 3.590 20 0 JHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc(-c4ccncc4)ncn2)C3)c1 ZINC001164753186 720913533 /nfs/dbraw/zinc/91/35/33/720913533.db2.gz QUGXMPPIZFILAW-RPLLCQBOSA-N 1 0 456.594 3.689 20 0 JHADRO FC(F)(COc1cncc(Cl)n1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751315 720914083 /nfs/dbraw/zinc/91/40/83/720914083.db2.gz LHYHRPJVVRNYIX-OFNKIYASSA-N 1 0 493.986 3.747 20 0 JHADRO c1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)nc1 ZINC001164747034 720921806 /nfs/dbraw/zinc/92/18/06/720921806.db2.gz BUOYKGDRWPBBIT-KCWPFWIISA-N 1 0 456.594 3.689 20 0 JHADRO FC(F)(Oc1cnc(Cl)cn1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754682 720939118 /nfs/dbraw/zinc/93/91/18/720939118.db2.gz XHIJMHRKKRBHHA-KNQAVFIVSA-N 1 0 479.959 3.705 20 0 JHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)[C@@H]2C ZINC001164862691 720960180 /nfs/dbraw/zinc/96/01/80/720960180.db2.gz XASOJAZNZQQFRH-WBVHZDCISA-N 1 0 458.998 3.797 20 0 JHADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3cc(-c4ccc(Cl)cc4)sc31)CC2 ZINC001164754739 720962899 /nfs/dbraw/zinc/96/28/99/720962899.db2.gz WNMCBGPZNZCYPK-UHFFFAOYSA-N 1 0 482.997 3.854 20 0 JHADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)CC2 ZINC001164753431 720966285 /nfs/dbraw/zinc/96/62/85/720966285.db2.gz FGTBDHMXTNZLPC-UHFFFAOYSA-N 1 0 468.561 3.653 20 0 JHADRO CC(C)CN1[C@@H]2CCN(c3ncccc3C[NH+]3CCCC3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164756397 720973043 /nfs/dbraw/zinc/97/30/43/720973043.db2.gz HUIWCSCGGAMVHY-PKTZIBPZSA-N 1 0 484.666 3.754 20 0 JHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)[C@H]2C ZINC001164857206 720995049 /nfs/dbraw/zinc/99/50/49/720995049.db2.gz DKALMLSPFKSDSV-HNNXBMFYSA-N 1 0 454.579 3.923 20 0 JHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)[C@H]2C ZINC001164858834 721009744 /nfs/dbraw/zinc/00/97/44/721009744.db2.gz HSNZLQUPDXNCGZ-INIZCTEOSA-N 1 0 490.580 3.779 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N(C)Cc3ccccn3)C[C@H]3OCC[C@@H]32)nc1 ZINC001164763503 721017009 /nfs/dbraw/zinc/01/70/09/721017009.db2.gz XOTUUMZNJMLQAY-MJTJJFPGSA-N 1 0 463.626 3.666 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCc4ccccn4)[C@H]3C2)nc1 ZINC001164759352 721022267 /nfs/dbraw/zinc/02/22/67/721022267.db2.gz LRQSJGNBCPPGDX-QUMGSSFMSA-N 1 0 477.653 3.961 20 0 JHADRO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164868377 721062383 /nfs/dbraw/zinc/06/23/83/721062383.db2.gz OFTGRRDMJKYIRY-XZOQPEGZSA-N 1 0 477.996 3.540 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871093 721136220 /nfs/dbraw/zinc/13/62/20/721136220.db2.gz DPJWBTTZNUZLBA-MOPGFXCFSA-N 1 0 472.927 3.612 20 0 JHADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164872248 721144116 /nfs/dbraw/zinc/14/41/16/721144116.db2.gz HDNXAGHHCIAKCN-VXKWHMMOSA-N 1 0 478.666 3.779 20 0 JHADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164872250 721145000 /nfs/dbraw/zinc/14/50/00/721145000.db2.gz HDNXAGHHCIAKCN-YADHBBJMSA-N 1 0 478.666 3.779 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@@H]3C2)cn1 ZINC001164764185 721179428 /nfs/dbraw/zinc/17/94/28/721179428.db2.gz GLBABAOPZKVVAF-RPBOFIJWSA-N 1 0 459.594 3.876 20 0 JHADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164867029 721186157 /nfs/dbraw/zinc/18/61/57/721186157.db2.gz DNJVKQYOILUSJQ-NQIIRXRSSA-N 1 0 467.957 3.806 20 0 JHADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870070 721187385 /nfs/dbraw/zinc/18/73/85/721187385.db2.gz SLCKFRCAMDWFQU-RXVVDRJESA-N 1 0 467.957 3.806 20 0 JHADRO O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]2C1 ZINC001164882339 721353359 /nfs/dbraw/zinc/35/33/59/721353359.db2.gz DPXYRJMDRJEZEC-DENIHFKCSA-N 1 0 488.966 3.634 20 0 JHADRO CCc1cc2c(nc(Cl)nc2N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC001164784287 721362731 /nfs/dbraw/zinc/36/27/31/721362731.db2.gz RGWOKYCGHOGYGP-HSZRJFAPSA-N 1 0 458.994 3.898 20 0 JHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4sc5c(c43)CCC5)C2)C1 ZINC001164780269 721365540 /nfs/dbraw/zinc/36/55/40/721365540.db2.gz FJTAZCDGRQOQGI-DEOSSOPVSA-N 1 0 453.612 3.904 20 0 JHADRO COc1cc2nc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ccc2c(OC)c1 ZINC001164780198 721373607 /nfs/dbraw/zinc/37/36/07/721373607.db2.gz FPGPOJACYITYFO-AREMUKBSSA-N 1 0 466.582 3.976 20 0 JHADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCO[C@@]3(CCC[C@H]3COCc3ccncc3)C2)c1 ZINC001164782596 721385516 /nfs/dbraw/zinc/38/55/16/721385516.db2.gz MLMUCTDSOYEYHL-OZXSUGGESA-N 1 0 452.599 3.544 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C3)O2)CC1 ZINC001164885086 721405720 /nfs/dbraw/zinc/40/57/20/721405720.db2.gz FLKMSTSOTUXTJM-GCJKJVERSA-N 1 0 465.976 3.594 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c(Cl)cccc54)C3)O2)CC1 ZINC001164886079 721405944 /nfs/dbraw/zinc/40/59/44/721405944.db2.gz HTOMEVZQOAXBOZ-ZHRRBRCNSA-N 1 0 450.414 3.702 20 0 JHADRO CSc1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1Cl ZINC001164885250 721419215 /nfs/dbraw/zinc/41/92/15/721419215.db2.gz GJDFBTACKMIBQD-OXQOHEQNSA-N 1 0 461.022 3.767 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C3)O2)CC1 ZINC001164889828 721420576 /nfs/dbraw/zinc/42/05/76/721420576.db2.gz RPEUQDQUWCKUDO-SIKLNZKXSA-N 1 0 465.976 3.594 20 0 JHADRO CSc1ccc(Oc2cc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)ncn2)cc1 ZINC001164890723 721427734 /nfs/dbraw/zinc/42/77/34/721427734.db2.gz DOZLWBZKGPRFRC-SQJMNOBHSA-N 1 0 469.655 3.756 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C3)O2)CC1 ZINC001164897219 721433848 /nfs/dbraw/zinc/43/38/48/721433848.db2.gz SSJGCEKMGWWKEH-NTKDMRAZSA-N 1 0 475.996 3.827 20 0 JHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891341 721433905 /nfs/dbraw/zinc/43/39/05/721433905.db2.gz GIMBDAKFWWYCPL-MVOZIGHISA-N 1 0 478.685 3.774 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccc(F)cc4)C3)O2)CC1 ZINC001164895449 721436549 /nfs/dbraw/zinc/43/65/49/721436549.db2.gz PDQSFHUHYCBAFW-HYBUGGRVSA-N 1 0 475.996 3.827 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(F)ccc4-c4ccc(Cl)nn4)C3)O2)CC1 ZINC001164888853 721440807 /nfs/dbraw/zinc/44/08/07/721440807.db2.gz BBHRSOYNBRQZAH-YADARESESA-N 1 0 459.997 3.702 20 0 JHADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164785971 721451446 /nfs/dbraw/zinc/45/14/46/721451446.db2.gz KOPQJGJZVYBOMS-HXUWFJFHSA-N 1 0 480.049 3.954 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CSCC3)CC2 ZINC001164783587 721452549 /nfs/dbraw/zinc/45/25/49/721452549.db2.gz CJBUZIWEQIYJHA-GOSISDBHSA-N 1 0 467.079 3.653 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)C3)O2)CC1 ZINC001164890155 721453538 /nfs/dbraw/zinc/45/35/38/721453538.db2.gz QOSVMAOQSSUYJX-DENIHFKCSA-N 1 0 454.993 3.923 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164789394 721453712 /nfs/dbraw/zinc/45/37/12/721453712.db2.gz VHHZXTUXUYKGAX-XMMPIXPASA-N 1 0 466.626 3.790 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(F)c(OC)cc31)CC2 ZINC001164790085 721462869 /nfs/dbraw/zinc/46/28/69/721462869.db2.gz ZRACPHGLCHKECZ-LJQANCHMSA-N 1 0 458.578 3.511 20 0 JHADRO CCOC(=O)c1nc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ccc1Cl ZINC001164783477 721464290 /nfs/dbraw/zinc/46/42/90/721464290.db2.gz DFVFEBGWKQHCKX-LJQANCHMSA-N 1 0 466.022 3.646 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CC2 ZINC001164787277 721467573 /nfs/dbraw/zinc/46/75/73/721467573.db2.gz DULWUSZJHPWHSN-QHCPKHFHSA-N 1 0 494.636 3.649 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164787201 721468787 /nfs/dbraw/zinc/46/87/87/721468787.db2.gz DJMGNKHBWJCIOU-QGZVFWFLSA-N 1 0 483.991 3.890 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(-c3ccncc3)nc(C)c1C)CC2 ZINC001164791751 721469408 /nfs/dbraw/zinc/46/94/08/721469408.db2.gz YLCBOGAGSVQSDI-DEOSSOPVSA-N 1 0 465.642 3.889 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(F)CC4)[C@@H]3C2)nc1 ZINC001164895009 721479291 /nfs/dbraw/zinc/47/92/91/721479291.db2.gz QJNGLAONOLLAOW-CJTFWIGWSA-N 1 0 458.622 3.678 20 0 JHADRO Fc1cccnc1OC[C@@]12COC[C@H]1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164792161 721488959 /nfs/dbraw/zinc/48/89/59/721488959.db2.gz HOLGIAOGDALJSJ-VGOFRKELSA-N 1 0 480.918 3.723 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc4ccc(Cl)cc4c(-c4ccccc4)n2)CC3)CC1 ZINC001164797808 721518424 /nfs/dbraw/zinc/51/84/24/721518424.db2.gz NYGAGVPJBLWHNK-UHFFFAOYSA-N 1 0 474.012 3.914 20 0 JHADRO O=C(c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1)N1CCCCC1 ZINC001164899757 721520408 /nfs/dbraw/zinc/52/04/08/721520408.db2.gz MINUQRPLKPBPRO-PZJWPPBQSA-N 1 0 458.965 3.842 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cnc(Cl)nc2Oc2ccccc2Cl)CC3)CC1 ZINC001164794243 721522202 /nfs/dbraw/zinc/52/22/02/721522202.db2.gz AIFOSZZMQQPPLS-UHFFFAOYSA-N 1 0 474.396 3.540 20 0 JHADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903009 721535163 /nfs/dbraw/zinc/53/51/63/721535163.db2.gz BUPHUAOHLFCKLC-AEFFLSMTSA-N 1 0 456.905 3.551 20 0 JHADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164905791 721549814 /nfs/dbraw/zinc/54/98/14/721549814.db2.gz IFJGMTMYQJBBFQ-RDJZCZTQSA-N 1 0 455.864 3.548 20 0 JHADRO COc1ccc(CN(C)c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164910356 721563813 /nfs/dbraw/zinc/56/38/13/721563813.db2.gz WJSFYRQSSOULDC-QPPBQGQZSA-N 1 0 463.557 3.603 20 0 JHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccn(C(=O)c4ccccc4)c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164800374 721573182 /nfs/dbraw/zinc/57/31/82/721573182.db2.gz FGKCJLBEMSCRIH-DGWZTRNLSA-N 1 0 467.573 3.988 20 0 JHADRO CC(C)NC(=O)C[C@H]1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)n3)CC2)Oc2ccccc21 ZINC001164799475 721593281 /nfs/dbraw/zinc/59/32/81/721593281.db2.gz MGNRINAMJDUCHE-QFIPXVFZSA-N 1 0 477.653 3.653 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@@]3(CN(c4ccsc4)C(=O)CO3)C2)nc1 ZINC001164798572 721594461 /nfs/dbraw/zinc/59/44/61/721594461.db2.gz KDXRXPJGHLQMEL-DHLKQENFSA-N 1 0 470.639 3.719 20 0 JHADRO CN(C)c1nc(-c2ccccc2)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906892 721710769 /nfs/dbraw/zinc/71/07/69/721710769.db2.gz OWTYXNKENYVNEA-XMMPIXPASA-N 1 0 465.552 3.737 20 0 JHADRO CCOC(=O)c1cc2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH]c-2n1 ZINC001164904868 721715420 /nfs/dbraw/zinc/71/54/20/721715420.db2.gz DRFBQEBHMFWYDT-HSZRJFAPSA-N 1 0 455.509 3.872 20 0 JHADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12 ZINC001164906144 721721854 /nfs/dbraw/zinc/72/18/54/721721854.db2.gz KFWDPSROWMHKBK-NRFANRHFSA-N 1 0 476.915 3.531 20 0 JHADRO COC(=O)c1cc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C ZINC001164913793 721733867 /nfs/dbraw/zinc/73/38/67/721733867.db2.gz XTXSNWQMRLFTED-NRFANRHFSA-N 1 0 450.917 3.963 20 0 JHADRO CN(C)c1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(Cl)n1 ZINC001164912110 721734820 /nfs/dbraw/zinc/73/48/20/721734820.db2.gz LOVNDPZIYYVXCK-IBGZPJMESA-N 1 0 472.918 3.874 20 0 JHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCCCn1cccn1 ZINC001165017302 721783260 /nfs/dbraw/zinc/78/32/60/721783260.db2.gz GFPRAUCMCFCPLK-FSSWDIPSSA-N 1 0 493.986 3.696 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4nc3N3CCOCC3)C[C@@H]21 ZINC001165019837 721811140 /nfs/dbraw/zinc/81/11/40/721811140.db2.gz BZUMTTBLRFRZQK-JLRUASKGSA-N 1 0 458.610 3.598 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C[C@@H]21 ZINC001165026809 721815759 /nfs/dbraw/zinc/81/57/59/721815759.db2.gz RKIWPNOYJHJBNR-NZSAHSFTSA-N 1 0 477.440 3.752 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001165026093 721816812 /nfs/dbraw/zinc/81/68/12/721816812.db2.gz PDXULXAVJBHYIG-FNHZYXHNSA-N 1 0 454.962 3.530 20 0 JHADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165028361 721822046 /nfs/dbraw/zinc/82/20/46/721822046.db2.gz VOKAKAXNNAWPNI-WBAXXEDZSA-N 1 0 454.962 3.530 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)C[C@H]21 ZINC001165023907 721827519 /nfs/dbraw/zinc/82/75/19/721827519.db2.gz IOYWAUCPVGZTMD-HUROMRQRSA-N 1 0 483.664 3.935 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)C[C@@H]21 ZINC001165023905 721827630 /nfs/dbraw/zinc/82/76/30/721827630.db2.gz IOYWAUCPVGZTMD-DURWQBQJSA-N 1 0 483.664 3.935 20 0 JHADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164938629 721931508 /nfs/dbraw/zinc/93/15/08/721931508.db2.gz BWKQIQPNDPEVQB-UHFFFAOYSA-N 1 0 486.682 3.728 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cc(N(C)C)nc(Cl)n4)CC3)C2)cc1 ZINC001164946125 721933313 /nfs/dbraw/zinc/93/33/13/721933313.db2.gz YKEULNVGEMGNPN-UHFFFAOYSA-N 1 0 465.976 3.921 20 0 JHADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955642 722019855 /nfs/dbraw/zinc/01/98/55/722019855.db2.gz LQQUXJKLCWSYJU-UHFFFAOYSA-N 1 0 458.610 3.903 20 0 JHADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955308 722019863 /nfs/dbraw/zinc/01/98/63/722019863.db2.gz FLBBIQGMYIDGHL-UHFFFAOYSA-N 1 0 465.598 3.740 20 0 JHADRO O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164960204 722035649 /nfs/dbraw/zinc/03/56/49/722035649.db2.gz UHCIAJURPHHGLO-REWPJTCUSA-N 1 0 473.955 3.584 20 0 JHADRO O=C(NC1CCCCC1)c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961180 722053012 /nfs/dbraw/zinc/05/30/12/722053012.db2.gz UJSMGGXTJKIABZ-UHFFFAOYSA-N 1 0 463.626 3.658 20 0 JHADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963965 722054725 /nfs/dbraw/zinc/05/47/25/722054725.db2.gz QBNJLIVNZNBUKZ-UHFFFAOYSA-N 1 0 458.990 3.734 20 0 JHADRO c1ccc(CN2CCc3c(ncnc3N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)C2)cc1 ZINC001164963216 722055054 /nfs/dbraw/zinc/05/50/54/722055054.db2.gz ISERXZKJLSYGFO-UHFFFAOYSA-N 1 0 484.648 3.549 20 0 JHADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964716 722056715 /nfs/dbraw/zinc/05/67/15/722056715.db2.gz XEQBUCXGUOFOEF-UHFFFAOYSA-N 1 0 458.990 3.734 20 0 JHADRO CN(C)c1ccc(-c2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164962201 722058711 /nfs/dbraw/zinc/05/87/11/722058711.db2.gz PPDJHRIXDQVFAL-UHFFFAOYSA-N 1 0 458.610 3.724 20 0 JHADRO O=C(c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2)N1CCc2ccccc21 ZINC001164960707 722059273 /nfs/dbraw/zinc/05/92/73/722059273.db2.gz INFTVUQYWZROFN-UHFFFAOYSA-N 1 0 483.616 3.799 20 0 JHADRO O=C(OCc1ccccc1)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164963366 722060362 /nfs/dbraw/zinc/06/03/62/722060362.db2.gz XMZNOYXBTKBQFS-UHFFFAOYSA-N 1 0 472.589 3.953 20 0 JHADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980441 722112954 /nfs/dbraw/zinc/11/29/54/722112954.db2.gz RETKICKQCOUNAQ-UTKZUKDTSA-N 1 0 459.928 3.950 20 0 JHADRO CCOc1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OCC ZINC001164971396 722118363 /nfs/dbraw/zinc/11/83/63/722118363.db2.gz BXEQICGCQAWMRO-NBGIEHNGSA-N 1 0 463.582 3.550 20 0 JHADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164982309 722129530 /nfs/dbraw/zinc/12/95/30/722129530.db2.gz RPINIGIGNGJZOT-PXNSSMCTSA-N 1 0 470.936 3.579 20 0 JHADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972759 722135916 /nfs/dbraw/zinc/13/59/16/722135916.db2.gz AKTUEHUDXFEOBE-HOTGVXAUSA-N 1 0 458.340 3.537 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977019 722145908 /nfs/dbraw/zinc/14/59/08/722145908.db2.gz HOAWNZITAHUMGR-ICSRJNTNSA-N 1 0 486.954 3.859 20 0 JHADRO c1csc(-c2noc(-c3ccnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)c3)n2)c1 ZINC001164985439 722149670 /nfs/dbraw/zinc/14/96/70/722149670.db2.gz ZLYIWKWXIJEINP-RTWAWAEBSA-N 1 0 474.590 3.982 20 0 JHADRO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2C)cc1 ZINC001164973889 722153595 /nfs/dbraw/zinc/15/35/95/722153595.db2.gz NLJVXSCPFPFPQF-SHQCIBLASA-N 1 0 473.621 3.815 20 0 JHADRO Clc1nnc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1N1CCCCC1 ZINC001164973083 722158933 /nfs/dbraw/zinc/15/89/33/722158933.db2.gz LAPNKMVMJWCPSO-OALUTQOASA-N 1 0 477.440 3.896 20 0 JHADRO O=S(=O)(c1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1)N1CCCCC1 ZINC001164995931 722207535 /nfs/dbraw/zinc/20/75/35/722207535.db2.gz QAKSGAMXSOAZPW-DEOSSOPVSA-N 1 0 458.603 3.640 20 0 JHADRO CCOC(=O)c1ccnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1C(=O)OCC ZINC001164996157 722213781 /nfs/dbraw/zinc/21/37/81/722213781.db2.gz MIYDMKNETGKQDY-RUZDIDTESA-N 1 0 455.530 3.819 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc(Cl)nc1Oc1cccc(F)c1)CCC2 ZINC001165003370 722257908 /nfs/dbraw/zinc/25/79/08/722257908.db2.gz ALOINJDARQKYCJ-UHFFFAOYSA-N 1 0 460.941 3.746 20 0 JHADRO COCC(=O)N1CCCc2ccc(NC(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)cc21 ZINC001311290632 1069317706 /nfs/dbraw/zinc/31/77/06/1069317706.db2.gz GJRJSAGTMKTWSB-LJQANCHMSA-N 1 0 450.583 3.959 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC001306624876 1069318579 /nfs/dbraw/zinc/31/85/79/1069318579.db2.gz MTVPQHISRMMBFO-IFMALSPDSA-N 1 0 462.038 3.811 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2nc(C)c(C)s2)CC[N@@H+]1CCOC ZINC001306625658 1069320046 /nfs/dbraw/zinc/32/00/46/1069320046.db2.gz SFCMPTAXRGXMSA-PMACEKPBSA-N 1 0 462.664 3.578 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(F)c(F)c2)CC[N@@H+]1CCOC ZINC001306626432 1069321552 /nfs/dbraw/zinc/32/15/52/1069321552.db2.gz YHKAGQAQSZRKEI-LEWJYISDSA-N 1 0 477.600 3.630 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC[N@@H+]1CCOC ZINC001306628095 1069325835 /nfs/dbraw/zinc/32/58/35/1069325835.db2.gz DEBARKCXXHYXTH-DRLORSAXSA-N 1 0 477.694 3.532 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001306628594 1069327267 /nfs/dbraw/zinc/32/72/67/1069327267.db2.gz FBJQXPLWOGEWLE-TXTKFYIRSA-N 1 0 471.694 3.902 20 0 JHADRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)c2)CC1 ZINC001311341120 1069329889 /nfs/dbraw/zinc/32/98/89/1069329889.db2.gz NUKVZJCONPOUAC-UHFFFAOYSA-N 1 0 454.537 3.519 20 0 JHADRO CCC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC001306630754 1069330453 /nfs/dbraw/zinc/33/04/53/1069330453.db2.gz QRJPJJXHYINXRO-PMACEKPBSA-N 1 0 474.675 3.539 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC001306631235 1069331682 /nfs/dbraw/zinc/33/16/82/1069331682.db2.gz SJEKKXAVXBWCMM-CQOQZXRMSA-N 1 0 471.646 3.670 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc(-c3ccc[nH]3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001306634521 1069339124 /nfs/dbraw/zinc/33/91/24/1069339124.db2.gz IPOYZPXHKVVJDF-UHFFFAOYSA-N 1 0 455.651 3.813 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CC[C@@H](c3ccc(OC)c(F)c3)C2)CC1 ZINC001311359555 1069343330 /nfs/dbraw/zinc/34/33/30/1069343330.db2.gz ZZKGRQYEFIDSPF-HSZRJFAPSA-N 1 0 454.590 3.671 20 0 JHADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)C1 ZINC001311363282 1069346239 /nfs/dbraw/zinc/34/62/39/1069346239.db2.gz RUXPFKMTUQXWHT-WAOWUJCRSA-N 1 0 455.018 3.518 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CC[C@H](c3ccc(OC)c(F)c3)C2)CC1 ZINC001311359556 1069343401 /nfs/dbraw/zinc/34/34/01/1069343401.db2.gz ZZKGRQYEFIDSPF-QHCPKHFHSA-N 1 0 454.590 3.671 20 0 JHADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC001311370204 1069347834 /nfs/dbraw/zinc/34/78/34/1069347834.db2.gz NSAQQEZYZWFCDH-PKTZIBPZSA-N 1 0 455.002 3.967 20 0 JHADRO COc1ccc(N2C[C@H](NC(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC2=O)cc1 ZINC001311369770 1069347913 /nfs/dbraw/zinc/34/79/13/1069347913.db2.gz IPAPVMUPKIMKSW-DENIHFKCSA-N 1 0 456.974 3.590 20 0 JHADRO NC(=O)C1(c2ccccc2)CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC001311371876 1069348239 /nfs/dbraw/zinc/34/82/39/1069348239.db2.gz DKUGLDWZPIZEIH-JOCHJYFZSA-N 1 0 455.002 3.706 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CC2CCOCC2)CC[N@@H+]1CCOC ZINC001306642297 1069353614 /nfs/dbraw/zinc/35/36/14/1069353614.db2.gz ICPCZXNLFVJBJR-HXUWFJFHSA-N 1 0 462.038 3.962 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)NCc3c(F)cccc3N3CCCC3)CC2)c1 ZINC001311380528 1069353933 /nfs/dbraw/zinc/35/39/33/1069353933.db2.gz JUSKZOCFXSSLAB-UHFFFAOYSA-N 1 0 453.606 3.746 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)NCc3nc(-c4ccncc4)cs3)CC2)c1 ZINC001311381287 1069354489 /nfs/dbraw/zinc/35/44/89/1069354489.db2.gz QRKSOIIESVPBKJ-UHFFFAOYSA-N 1 0 450.612 3.525 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)CC2)c1 ZINC001311381802 1069355231 /nfs/dbraw/zinc/35/52/31/1069355231.db2.gz UZHLDBRUSBQUNX-GFJKYASSSA-N 1 0 456.656 3.647 20 0 JHADRO CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001306640831 1069351607 /nfs/dbraw/zinc/35/16/07/1069351607.db2.gz BPSXGYNNBQZLFB-HXUWFJFHSA-N 1 0 488.702 3.696 20 0 JHADRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@H](c3ccccc3Cl)N3CCOCC3)C2)cc1 ZINC001311388520 1069357036 /nfs/dbraw/zinc/35/70/36/1069357036.db2.gz DNMBYFNUXGPPFS-ZJSXRUAMSA-N 1 0 457.018 3.595 20 0 JHADRO CC[C@@H](CNC(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC001311392901 1069360083 /nfs/dbraw/zinc/36/00/83/1069360083.db2.gz XEQUIJFHLSZNGD-IZZNHLLZSA-N 1 0 450.627 3.504 20 0 JHADRO CC[NH+](CC)CCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 ZINC001311413989 1069367239 /nfs/dbraw/zinc/36/72/39/1069367239.db2.gz LBCCJDQZPVCVCV-FPOVZHCZSA-N 1 0 480.625 3.958 20 0 JHADRO CC(C)c1cc(CNC(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)on1 ZINC001311421671 1069368988 /nfs/dbraw/zinc/36/89/88/1069368988.db2.gz DECATXRGCMMLGG-UHFFFAOYSA-N 1 0 453.509 3.828 20 0 JHADRO Cc1c(Cl)cccc1N1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001311424581 1069373308 /nfs/dbraw/zinc/37/33/08/1069373308.db2.gz VAVWBVKBBSHUDK-UHFFFAOYSA-N 1 0 456.034 3.692 20 0 JHADRO CC(C)(C)O[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001311424345 1069372596 /nfs/dbraw/zinc/37/25/96/1069372596.db2.gz RFPCWKWPSWVAAO-KESTWPANSA-N 1 0 456.553 3.863 20 0 JHADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001311430748 1069376279 /nfs/dbraw/zinc/37/62/79/1069376279.db2.gz RTJGNGQFMAWVHI-HNAYVOBHSA-N 1 0 451.409 3.656 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC001311430516 1069376477 /nfs/dbraw/zinc/37/64/77/1069376477.db2.gz MYYDZTGPPKRSML-OAHLLOKOSA-N 1 0 459.454 3.553 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001311430746 1069376485 /nfs/dbraw/zinc/37/64/85/1069376485.db2.gz RTJGNGQFMAWVHI-BEFAXECRSA-N 1 0 451.409 3.656 20 0 JHADRO COc1ccccc1[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)NC(=O)OC(C)(C)C ZINC001311443703 1069382478 /nfs/dbraw/zinc/38/24/78/1069382478.db2.gz CXXREMLDRRDJQQ-NRFANRHFSA-N 1 0 456.587 3.822 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001306664572 1069389317 /nfs/dbraw/zinc/38/93/17/1069389317.db2.gz JMLHIIQRPGSZDJ-XMMPIXPASA-N 1 0 495.716 3.859 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001306664571 1069389369 /nfs/dbraw/zinc/38/93/69/1069389369.db2.gz JMLHIIQRPGSZDJ-DEOSSOPVSA-N 1 0 495.716 3.859 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001306664551 1069389475 /nfs/dbraw/zinc/38/94/75/1069389475.db2.gz IRUYJIQSNUQODY-XZOQPEGZSA-N 1 0 474.694 3.869 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001306665587 1069392313 /nfs/dbraw/zinc/39/23/13/1069392313.db2.gz OCVUQUQDYIODNE-LOSJGSFVSA-N 1 0 496.700 3.868 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(OC)c1 ZINC001311469197 1069392802 /nfs/dbraw/zinc/39/28/02/1069392802.db2.gz JPXGEWWNSMEETF-IRLDBZIGSA-N 1 0 453.505 3.827 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311469669 1069393457 /nfs/dbraw/zinc/39/34/57/1069393457.db2.gz NPTDESPXCIQPBW-DNQXCXABSA-N 1 0 452.599 3.569 20 0 JHADRO O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001311480297 1069397707 /nfs/dbraw/zinc/39/77/07/1069397707.db2.gz JOEZKBIGTVNUEE-XMMPIXPASA-N 1 0 456.631 3.926 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2CCn2cc(C)cn2)CC1 ZINC001306677698 1069401674 /nfs/dbraw/zinc/40/16/74/1069401674.db2.gz AWKZHUWGWJUZQT-UHFFFAOYSA-N 1 0 450.635 3.802 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OC)CC1 ZINC001306677758 1069401694 /nfs/dbraw/zinc/40/16/94/1069401694.db2.gz CHKOIGPWWNLLMU-UHFFFAOYSA-N 1 0 451.619 3.684 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 ZINC001306678362 1069402948 /nfs/dbraw/zinc/40/29/48/1069402948.db2.gz ABDWWSXJHCCBRF-UHFFFAOYSA-N 1 0 480.657 3.938 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001306680666 1069407190 /nfs/dbraw/zinc/40/71/90/1069407190.db2.gz YCDTZADIJHZUQP-UHFFFAOYSA-N 1 0 477.650 3.610 20 0 JHADRO COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC001311498172 1069407589 /nfs/dbraw/zinc/40/75/89/1069407589.db2.gz SWJOTYKKIKNTIV-LSTHTHJFSA-N 1 0 455.521 3.944 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2snnc2C)CC1 ZINC001306680607 1069407703 /nfs/dbraw/zinc/40/77/03/1069407703.db2.gz RBXYTDDVDRCGCN-UHFFFAOYSA-N 1 0 474.704 3.790 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2cscc2C)CC1 ZINC001306680651 1069407839 /nfs/dbraw/zinc/40/78/39/1069407839.db2.gz SLEUSACMOMHRHB-UHFFFAOYSA-N 1 0 458.676 3.767 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCSC2)CC1 ZINC001306681461 1069410511 /nfs/dbraw/zinc/41/05/11/1069410511.db2.gz YWUJFIDLKJKHOF-RUZDIDTESA-N 1 0 473.687 3.770 20 0 JHADRO C[NH+]1CCN(c2cc(CNC(=O)NCC3(c4ccc(F)cc4Cl)CCCC3)ccn2)CC1 ZINC001311501867 1069411000 /nfs/dbraw/zinc/41/10/00/1069411000.db2.gz VMZUFZGPXDITCV-UHFFFAOYSA-N 1 0 459.997 3.937 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001306681581 1069411155 /nfs/dbraw/zinc/41/11/55/1069411155.db2.gz OICMRPXFTIACCY-UHFFFAOYSA-N 1 0 485.421 3.827 20 0 JHADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001311498837 1069408510 /nfs/dbraw/zinc/40/85/10/1069408510.db2.gz XCPLNNNULLQFPD-HCYSDIRSSA-N 1 0 459.631 3.996 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001306681387 1069409791 /nfs/dbraw/zinc/40/97/91/1069409791.db2.gz LKBACMZZKWDOII-PMACEKPBSA-N 1 0 476.572 3.526 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001306682435 1069413240 /nfs/dbraw/zinc/41/32/40/1069413240.db2.gz HFLLRFXSOWDKRQ-QFIPXVFZSA-N 1 0 488.036 3.650 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](COC)C1 ZINC001306682506 1069413771 /nfs/dbraw/zinc/41/37/71/1069413771.db2.gz JEKWNBMOZHXOFG-KRWDZBQOSA-N 1 0 450.425 3.912 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001306683655 1069417946 /nfs/dbraw/zinc/41/79/46/1069417946.db2.gz ZQPWHQZWIZWJKA-WZONZLPQSA-N 1 0 492.462 3.824 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306683635 1069417958 /nfs/dbraw/zinc/41/79/58/1069417958.db2.gz YSYCKZDYMNWASU-NRFANRHFSA-N 1 0 463.630 3.530 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 ZINC001306683757 1069417998 /nfs/dbraw/zinc/41/79/98/1069417998.db2.gz CKGTZMMYLCCWAK-UHFFFAOYSA-N 1 0 451.619 3.767 20 0 JHADRO C[C@H]1CN(C(C)(C)CNC(=O)N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)C[C@H](C)O1 ZINC001311510302 1069415924 /nfs/dbraw/zinc/41/59/24/1069415924.db2.gz FXZLVNHBCNCRLH-PMACEKPBSA-N 1 0 453.631 3.854 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001306686586 1069422713 /nfs/dbraw/zinc/42/27/13/1069422713.db2.gz DLVQSKPJJDLNFC-HXUWFJFHSA-N 1 0 455.582 3.815 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001306685070 1069420126 /nfs/dbraw/zinc/42/01/26/1069420126.db2.gz YZHBKJZAOLRUAP-UHFFFAOYSA-N 1 0 479.604 3.564 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2oncc2C1 ZINC001306685722 1069421379 /nfs/dbraw/zinc/42/13/79/1069421379.db2.gz JTLNQLAZEUWSQM-IBGZPJMESA-N 1 0 487.649 3.675 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001306686061 1069422061 /nfs/dbraw/zinc/42/20/61/1069422061.db2.gz QNCYLVDQKUWNKX-HSZRJFAPSA-N 1 0 474.694 3.523 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 ZINC001306689644 1069427345 /nfs/dbraw/zinc/42/73/45/1069427345.db2.gz XEMTVQBUQGHIEG-QHCPKHFHSA-N 1 0 450.635 3.651 20 0 JHADRO O=C(NCCOc1ccc(C(F)(F)F)cc1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001311530134 1069425148 /nfs/dbraw/zinc/42/51/48/1069425148.db2.gz VUDABGKQOAODNV-NRFANRHFSA-N 1 0 451.489 3.675 20 0 JHADRO CCC(CC)[C@@H](CNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1)[NH+]1CCCC1 ZINC001311533937 1069427031 /nfs/dbraw/zinc/42/70/31/1069427031.db2.gz CUYSMVMTOSEOIZ-HSZRJFAPSA-N 1 0 450.071 3.662 20 0 JHADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CCCS(=O)(=O)C1 ZINC001311539128 1069430845 /nfs/dbraw/zinc/43/08/45/1069430845.db2.gz XJADLBNIUOHVDI-NRFANRHFSA-N 1 0 455.624 3.573 20 0 JHADRO CCCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306694603 1069431482 /nfs/dbraw/zinc/43/14/82/1069431482.db2.gz JMDCHQNTFNOFDQ-SLFFLAALSA-N 1 0 453.697 3.563 20 0 JHADRO C[C@@H]1C[C@@H](CCNC(=O)NCc2ccccc2CN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC001311546752 1069433000 /nfs/dbraw/zinc/43/30/00/1069433000.db2.gz YBBIXARGWPAKDD-ISKFKSNPSA-N 1 0 450.627 3.619 20 0 JHADRO CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001306707627 1069442092 /nfs/dbraw/zinc/44/20/92/1069442092.db2.gz BPFYUTZFJCPEDU-QHCPKHFHSA-N 1 0 498.672 3.751 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)NCC(C)(C)[NH+]1CCCCC1)C(F)(F)F ZINC001311566821 1069440900 /nfs/dbraw/zinc/44/09/00/1069440900.db2.gz WGKDMQILWNITJL-FQEVSTJZSA-N 1 0 450.546 3.882 20 0 JHADRO CSc1ccccc1OC[C@@H](O)CN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001311578525 1069447389 /nfs/dbraw/zinc/44/73/89/1069447389.db2.gz ODVWBDJAKSELIY-VXKWHMMOSA-N 1 0 457.640 3.843 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C1CCOCC1)C1(CO)CCC1)c1ccccc1Cl ZINC001311570510 1069442615 /nfs/dbraw/zinc/44/26/15/1069442615.db2.gz ZEMFLDSUXGOTHH-VXKWHMMOSA-N 1 0 452.039 3.980 20 0 JHADRO CCc1ccc([C@@H](CNC(=O)N2CCCN(c3cc(OC)cc(OC)c3)CC2)[NH+](C)C)cc1 ZINC001311571269 1069442704 /nfs/dbraw/zinc/44/27/04/1069442704.db2.gz PCKRZDRDOHQHDO-RUZDIDTESA-N 1 0 454.615 3.791 20 0 JHADRO CSc1ccccc1OC[C@H](O)CN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001311578523 1069447553 /nfs/dbraw/zinc/44/75/53/1069447553.db2.gz ODVWBDJAKSELIY-FCHUYYIVSA-N 1 0 457.640 3.843 20 0 JHADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC001311573218 1069444682 /nfs/dbraw/zinc/44/46/82/1069444682.db2.gz USRNLCJFZFQGKN-NFBKMPQASA-N 1 0 455.672 3.561 20 0 JHADRO CCCN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001311584366 1069450629 /nfs/dbraw/zinc/45/06/29/1069450629.db2.gz PCLPLMCSEKZIPX-IBGZPJMESA-N 1 0 454.681 3.779 20 0 JHADRO CC(C)(C)OC(=O)NCC12CCC(CC1)N2C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001311584903 1069451126 /nfs/dbraw/zinc/45/11/26/1069451126.db2.gz UBDZWLRWDZKESA-UHFFFAOYSA-N 1 0 452.665 3.579 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001306719906 1069454052 /nfs/dbraw/zinc/45/40/52/1069454052.db2.gz DWIOADZPEZNJHS-HFZDXXHNSA-N 1 0 474.694 3.810 20 0 JHADRO CSc1ccc([C@H](CNC(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)[NH+](C)C)cc1 ZINC001311595647 1069457462 /nfs/dbraw/zinc/45/74/62/1069457462.db2.gz XGMXYIXLNUMGEH-ZEQRLZLVSA-N 1 0 456.656 3.692 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 ZINC001306721491 1069457857 /nfs/dbraw/zinc/45/78/57/1069457857.db2.gz AGBFXHTUTRBXBA-JOCHJYFZSA-N 1 0 459.683 3.782 20 0 JHADRO CC[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1ccccc1OCC(=O)N(C)C ZINC001311614109 1069466226 /nfs/dbraw/zinc/46/62/26/1069466226.db2.gz JNOGLFPNXLLDLV-XJUOHMSHSA-N 1 0 458.647 3.901 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001306723644 1069464143 /nfs/dbraw/zinc/46/41/43/1069464143.db2.gz UBXBNWOOBTWNQP-QFIPXVFZSA-N 1 0 476.629 3.773 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(OC)c1 ZINC001306724110 1069464639 /nfs/dbraw/zinc/46/46/39/1069464639.db2.gz XXPHHQNXBDNLDR-QFIPXVFZSA-N 1 0 451.619 3.978 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001306724550 1069465876 /nfs/dbraw/zinc/46/58/76/1069465876.db2.gz YUPOFDXCAZUSFU-TZIWHRDSSA-N 1 0 458.655 3.631 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 ZINC001306726097 1069467778 /nfs/dbraw/zinc/46/77/78/1069467778.db2.gz KCZIJZDCMJTAFE-MBDNFAEBSA-N 1 0 497.775 3.945 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306726456 1069469410 /nfs/dbraw/zinc/46/94/10/1069469410.db2.gz MOIWQFOFSMOSRM-DNQXCXABSA-N 1 0 488.721 3.910 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC001311619657 1069470459 /nfs/dbraw/zinc/47/04/59/1069470459.db2.gz QNYRHUJHGVHHGG-FSSWDIPSSA-N 1 0 478.609 3.532 20 0 JHADRO O=C(NCc1cc(F)ccc1Br)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001311619915 1069470492 /nfs/dbraw/zinc/47/04/92/1069470492.db2.gz JMFZWZUTQJBLCF-LJQANCHMSA-N 1 0 450.352 3.679 20 0 JHADRO C[C@@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1cccc(OCc2ccccn2)c1 ZINC001311623933 1069473852 /nfs/dbraw/zinc/47/38/52/1069473852.db2.gz WFBKJOJHUCFVFJ-HXUWFJFHSA-N 1 0 452.599 3.912 20 0 JHADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC001311626359 1069476157 /nfs/dbraw/zinc/47/61/57/1069476157.db2.gz TUTOHLCNQWYMQH-NRFANRHFSA-N 1 0 459.388 3.592 20 0 JHADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC001311625318 1069474907 /nfs/dbraw/zinc/47/49/07/1069474907.db2.gz LTTRULJPBIFHFX-IBGZPJMESA-N 1 0 459.392 3.535 20 0 JHADRO C[C@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC001311629313 1069478158 /nfs/dbraw/zinc/47/81/58/1069478158.db2.gz BENUKFKQXPSBAV-RDPSFJRHSA-N 1 0 456.656 3.648 20 0 JHADRO COc1cc(OC)c(CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(OC)c1 ZINC001311629623 1069478184 /nfs/dbraw/zinc/47/81/84/1069478184.db2.gz AAVFXLPSNCOCQL-RTBURBONSA-N 1 0 467.488 3.575 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001306730563 1069482541 /nfs/dbraw/zinc/48/25/41/1069482541.db2.gz NTKDORQBKVYGBL-LEWJYISDSA-N 1 0 488.702 3.785 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](C)[NH+](C)C)C1 ZINC001306730870 1069483545 /nfs/dbraw/zinc/48/35/45/1069483545.db2.gz HVCZLBDPLWMAJX-QHAWAJNXSA-N 1 0 479.673 3.908 20 0 JHADRO C[C@@H](CNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1)C[NH+]1CCCCC1 ZINC001311638110 1069483965 /nfs/dbraw/zinc/48/39/65/1069483965.db2.gz GKIZZGFANXMPAX-OALUTQOASA-N 1 0 451.453 3.959 20 0 JHADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC001311640491 1069485361 /nfs/dbraw/zinc/48/53/61/1069485361.db2.gz OOUGMEXXFVCCOE-PXNSSMCTSA-N 1 0 450.421 3.766 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001306731363 1069485432 /nfs/dbraw/zinc/48/54/32/1069485432.db2.gz JCBVHFHYMHZFMU-IPVFLDMMSA-N 1 0 499.729 3.607 20 0 JHADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC001311647009 1069487769 /nfs/dbraw/zinc/48/77/69/1069487769.db2.gz ZRXBCCFSPMXTOG-BVAGGSTKSA-N 1 0 456.590 3.856 20 0 JHADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001311646558 1069487810 /nfs/dbraw/zinc/48/78/10/1069487810.db2.gz WDQBVEQFMIPSGU-ATIYNZHBSA-N 1 0 458.647 3.982 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCCN(CC)C(=O)C1 ZINC001306731982 1069487896 /nfs/dbraw/zinc/48/78/96/1069487896.db2.gz UDWFESVQFDTHOJ-DEOSSOPVSA-N 1 0 466.674 3.777 20 0 JHADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001311646560 1069487872 /nfs/dbraw/zinc/48/78/72/1069487872.db2.gz WDQBVEQFMIPSGU-GJZUVCINSA-N 1 0 458.647 3.982 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CC[NH+]2CCCCC2)C1 ZINC001306732750 1069490679 /nfs/dbraw/zinc/49/06/79/1069490679.db2.gz ILWIUXBLACCFAM-PZJWPPBQSA-N 1 0 487.718 3.641 20 0 JHADRO C[C@@H]1CN(Cc2cccc(CNC(=O)N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664095 1069493371 /nfs/dbraw/zinc/49/33/71/1069493371.db2.gz IAECMVVCDNITDB-DHIUTWEWSA-N 1 0 450.627 3.713 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[NH+](C)C)C1 ZINC001306734536 1069497002 /nfs/dbraw/zinc/49/70/02/1069497002.db2.gz DBSYYJIZXZLSNK-SJORKVTESA-N 1 0 465.017 3.820 20 0 JHADRO COc1ccc(C)cc1C1(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC001311694082 1069507502 /nfs/dbraw/zinc/50/75/02/1069507502.db2.gz HFSYYCCLJKTYFY-UHFFFAOYSA-N 1 0 452.599 3.663 20 0 JHADRO O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001311695879 1069507972 /nfs/dbraw/zinc/50/79/72/1069507972.db2.gz GMKNMFINCDMCIU-MOPGFXCFSA-N 1 0 457.562 3.633 20 0 JHADRO O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001311695882 1069508024 /nfs/dbraw/zinc/50/80/24/1069508024.db2.gz GMKNMFINCDMCIU-RTBURBONSA-N 1 0 457.562 3.633 20 0 JHADRO CC(C)C1CCC([NH+]2CCN(C(=O)NCc3ccc(Cn4ccccc4=O)cc3)CC2)CC1 ZINC001311703932 1069511114 /nfs/dbraw/zinc/51/11/14/1069511114.db2.gz JYKVCJMSSBERRP-UHFFFAOYSA-N 1 0 450.627 3.939 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306740192 1069512856 /nfs/dbraw/zinc/51/28/56/1069512856.db2.gz ITFUJUZUWYPSKS-PKTZIBPZSA-N 1 0 481.689 3.902 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001306740328 1069513432 /nfs/dbraw/zinc/51/34/32/1069513432.db2.gz KUDYCMKEKRRKFW-HSZRJFAPSA-N 1 0 481.689 3.903 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001306740878 1069514602 /nfs/dbraw/zinc/51/46/02/1069514602.db2.gz WLCOPPWJKJWDGO-XUZZJYLKSA-N 1 0 493.631 3.915 20 0 JHADRO COc1cccc([C@H](O)C2CCN(C(=O)NCC(C)(C)[N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC001311720106 1069518937 /nfs/dbraw/zinc/51/89/37/1069518937.db2.gz MPGKIYUKJYZIAJ-RUZDIDTESA-N 1 0 451.611 3.987 20 0 JHADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NCc1ccncc1OC[C@H]1CCOC1 ZINC001311728834 1069524609 /nfs/dbraw/zinc/52/46/09/1069524609.db2.gz XEMYTXLYUDKVLJ-QHCPKHFHSA-N 1 0 452.599 3.872 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(CC)n2CC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001306743951 1069523583 /nfs/dbraw/zinc/52/35/83/1069523583.db2.gz STVQGDCBXLXUDF-UHFFFAOYSA-N 1 0 466.674 3.810 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001306744014 1069523631 /nfs/dbraw/zinc/52/36/31/1069523631.db2.gz IBCLNBPNYIWFIK-UHFFFAOYSA-N 1 0 475.641 3.583 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001306746048 1069529955 /nfs/dbraw/zinc/52/99/55/1069529955.db2.gz WNTRCDADVYURPG-VWLOTQADSA-N 1 0 496.700 3.743 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001306746250 1069530638 /nfs/dbraw/zinc/53/06/38/1069530638.db2.gz ZXUOGIHPPLZEPG-OAQYLSRUSA-N 1 0 481.670 3.837 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001306746496 1069531580 /nfs/dbraw/zinc/53/15/80/1069531580.db2.gz PABIFPDULNMBCU-GMAHTHKFSA-N 1 0 474.694 3.569 20 0 JHADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NC1CN(C(=O)OCc2ccccc2)C1 ZINC001311763909 1069537694 /nfs/dbraw/zinc/53/76/94/1069537694.db2.gz CETROZJDQXRXNK-UHFFFAOYSA-N 1 0 450.583 3.883 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)cc1OC ZINC001306748309 1069537931 /nfs/dbraw/zinc/53/79/31/1069537931.db2.gz FGSYGDFRRMVUDQ-HHHXNRCGSA-N 1 0 498.672 3.531 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001311760437 1069535867 /nfs/dbraw/zinc/53/58/67/1069535867.db2.gz COFSTDVUBQVWGK-BWKNWUBXSA-N 1 0 454.590 3.505 20 0 JHADRO C[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC001311761470 1069536223 /nfs/dbraw/zinc/53/62/23/1069536223.db2.gz MXWAHLMLPFQWMC-AWEZNQCLSA-N 1 0 453.921 3.649 20 0 JHADRO 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CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)NC[C@H]3SCCc4ccccc43)CC2)cc1 ZINC001312124836 1069733700 /nfs/dbraw/zinc/73/37/00/1069733700.db2.gz XGBAOVKOOSSFGC-XMMPIXPASA-N 1 0 452.624 3.939 20 0 JHADRO CCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001307028237 1069734525 /nfs/dbraw/zinc/73/45/25/1069734525.db2.gz RLDPCRANUVIMAF-GOSISDBHSA-N 1 0 478.435 3.578 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CC1 ZINC001307028997 1069735870 /nfs/dbraw/zinc/73/58/70/1069735870.db2.gz GDGJRMLXBOJHPK-OAQYLSRUSA-N 1 0 482.673 3.799 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC001312129185 1069736223 /nfs/dbraw/zinc/73/62/23/1069736223.db2.gz BMKPRQPDZGZSCO-QFBILLFUSA-N 1 0 458.404 3.828 20 0 JHADRO Cc1ccc([C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001312133346 1069739229 /nfs/dbraw/zinc/73/92/29/1069739229.db2.gz UBDFMWNGBCALBL-OTTNMNEJSA-N 1 0 455.624 3.755 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H](CC)c3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001307031121 1069740832 /nfs/dbraw/zinc/74/08/32/1069740832.db2.gz CTYVQQSLJIGPNQ-DHIUTWEWSA-N 1 0 473.687 3.565 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCc2cnccn2)C1 ZINC001307031717 1069742473 /nfs/dbraw/zinc/74/24/73/1069742473.db2.gz NQGGGAPPQRDZRR-KRWDZBQOSA-N 1 0 457.985 3.938 20 0 JHADRO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC001312153423 1069751835 /nfs/dbraw/zinc/75/18/35/1069751835.db2.gz LDHHWGUICWFDGD-VXKWHMMOSA-N 1 0 450.627 3.848 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@H](C)C(=O)NC)C1 ZINC001307033878 1069749045 /nfs/dbraw/zinc/74/90/45/1069749045.db2.gz NLFPJIGNELMIAI-FHWLQOOXSA-N 1 0 472.703 3.682 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC[C@H]2C(C)C)C1 ZINC001307034233 1069750535 /nfs/dbraw/zinc/75/05/35/1069750535.db2.gz OGAJRXPYEDQBKO-REWPJTCUSA-N 1 0 488.702 3.552 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@H](C)CC2)C1 ZINC001307034266 1069750579 /nfs/dbraw/zinc/75/05/79/1069750579.db2.gz OPLZHWXDIJCTDH-VQTJNVASSA-N 1 0 459.660 3.707 20 0 JHADRO O=C(NCc1csc(CNC(=O)c2ccccc2)n1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001312154964 1069754144 /nfs/dbraw/zinc/75/41/44/1069754144.db2.gz RXSALRAIVLLRCP-UHFFFAOYSA-N 1 0 455.628 3.669 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc[nH]3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC001307035847 1069754397 /nfs/dbraw/zinc/75/43/97/1069754397.db2.gz WFTJCRCBGWZGCU-UHFFFAOYSA-N 1 0 471.650 3.700 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001307037330 1069758207 /nfs/dbraw/zinc/75/82/07/1069758207.db2.gz BDMDQOXQMJIUSH-IAGOWNOFSA-N 1 0 498.981 3.835 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccn3C)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC001307035898 1069755135 /nfs/dbraw/zinc/75/51/35/1069755135.db2.gz XITWCNQUWULFAN-VXKWHMMOSA-N 1 0 477.657 3.671 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](CC)O[C@@H](C)C2)C1 ZINC001307035938 1069755205 /nfs/dbraw/zinc/75/52/05/1069755205.db2.gz VCEXMLNNQVNQDZ-JENIJYKNSA-N 1 0 479.467 3.782 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)Cc2nccs2)C1 ZINC001307037117 1069758304 /nfs/dbraw/zinc/75/83/04/1069758304.db2.gz SIQNICYVSLCABC-GOSISDBHSA-N 1 0 488.061 3.686 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001307036386 1069756280 /nfs/dbraw/zinc/75/62/80/1069756280.db2.gz XYJMZHWFOQHGKA-GHTZIAJQSA-N 1 0 480.078 3.734 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001307036418 1069756827 /nfs/dbraw/zinc/75/68/27/1069756827.db2.gz YOQCABMXTKRETG-HSZRJFAPSA-N 1 0 487.714 3.988 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3F)nnc2N2CCN(C(=O)N(CC)CC)CC2)CC1 ZINC001307037629 1069758867 /nfs/dbraw/zinc/75/88/67/1069758867.db2.gz DGAGJTNPOXBDJF-UHFFFAOYSA-N 1 0 485.652 3.790 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001307039185 1069763536 /nfs/dbraw/zinc/76/35/36/1069763536.db2.gz SFCHODHMOSYEMZ-GGPKGHCWSA-N 1 0 482.094 3.512 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCC[NH+]2CCCC2)cc1 ZINC001314193266 1069760200 /nfs/dbraw/zinc/76/02/00/1069760200.db2.gz ZNNXWJVEFMPUNR-PCCBWWKXSA-N 1 0 457.619 3.916 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[NH+]2CCCC2)cc1 ZINC001314193264 1069760217 /nfs/dbraw/zinc/76/02/17/1069760217.db2.gz ZNNXWJVEFMPUNR-HBMCJLEFSA-N 1 0 457.619 3.916 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCSC(CC)(CC)C2)C1 ZINC001307038262 1069760756 /nfs/dbraw/zinc/76/07/56/1069760756.db2.gz ZTQQVUQHAWCVOB-IBGZPJMESA-N 1 0 471.675 3.769 20 0 JHADRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)CC1 ZINC001312168223 1069761861 /nfs/dbraw/zinc/76/18/61/1069761861.db2.gz TWVPZCBZDPXHDY-NRFANRHFSA-N 1 0 457.623 3.855 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001307038637 1069762338 /nfs/dbraw/zinc/76/23/38/1069762338.db2.gz IWWIBQMVXDZARA-QHCPKHFHSA-N 1 0 468.646 3.667 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cnn(CC)c2)C1 ZINC001307039292 1069763830 /nfs/dbraw/zinc/76/38/30/1069763830.db2.gz ULCLEOCHXRGHRM-GOSISDBHSA-N 1 0 457.573 3.732 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3nn(CC)c(=O)c4ccccc43)nnc2N(CC)C(C)C)C1 ZINC001307041580 1069769319 /nfs/dbraw/zinc/76/93/19/1069769319.db2.gz GHFJSUUCRWUFPK-LJQANCHMSA-N 1 0 451.619 3.642 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@H](CNC(C)=O)C2)C1 ZINC001307039696 1069765159 /nfs/dbraw/zinc/76/51/59/1069765159.db2.gz ZIZJBQGLFYYMBO-VXKWHMMOSA-N 1 0 473.065 3.607 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cn3ccc4ccccc43)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001307040396 1069766941 /nfs/dbraw/zinc/76/69/41/1069766941.db2.gz ACCAPGRZFLYTJO-UHFFFAOYSA-N 1 0 479.673 3.754 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(c4ccnn4C)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001314195030 1069767273 /nfs/dbraw/zinc/76/72/73/1069767273.db2.gz VDDOGJYEZOWXRT-PMACEKPBSA-N 1 0 481.645 3.884 20 0 JHADRO Cc1ccc(C[C@@H](CO)CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1Br ZINC001312182640 1069769624 /nfs/dbraw/zinc/76/96/24/1069769624.db2.gz TUUBWMGZCHBRGB-GOSISDBHSA-N 1 0 452.437 3.615 20 0 JHADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001312182609 1069769870 /nfs/dbraw/zinc/76/98/70/1069769870.db2.gz SDUCLIDDLPWYQV-GOSISDBHSA-N 1 0 458.569 3.616 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001307041811 1069770018 /nfs/dbraw/zinc/77/00/18/1069770018.db2.gz MMOYSSRXIQQWPN-QHCPKHFHSA-N 1 0 496.700 3.981 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(F)(F)C2)C1 ZINC001307043581 1069774437 /nfs/dbraw/zinc/77/44/37/1069774437.db2.gz RGODAUTVAGBLLR-RTBURBONSA-N 1 0 482.620 3.970 20 0 JHADRO C[N@H+](CCNC(=O)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1)Cc1ccc(F)cc1 ZINC001312188885 1069771773 /nfs/dbraw/zinc/77/17/73/1069771773.db2.gz WCQJTZBIAKHTGA-OAQYLSRUSA-N 1 0 458.553 3.525 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(CC(C)C)C(C)C)C1 ZINC001307042596 1069772218 /nfs/dbraw/zinc/77/22/18/1069772218.db2.gz KERNETYHQLCUIZ-HXUWFJFHSA-N 1 0 465.646 3.795 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2cc(F)ccc2F)C1 ZINC001307042819 1069772722 /nfs/dbraw/zinc/77/27/22/1069772722.db2.gz VHYSWQSNFMEYFN-QZTJIDSGSA-N 1 0 460.573 3.608 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3cnn(CC)c3)C2)CC1 ZINC001307043136 1069773753 /nfs/dbraw/zinc/77/37/53/1069773753.db2.gz HINBJQWMSOMATG-JOCHJYFZSA-N 1 0 457.667 3.783 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCC[C@H](OC)C2)C1 ZINC001307043819 1069775938 /nfs/dbraw/zinc/77/59/38/1069775938.db2.gz BPYIXTUHTAKMJI-RXVVDRJESA-N 1 0 492.462 3.967 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001307044784 1069779742 /nfs/dbraw/zinc/77/97/42/1069779742.db2.gz BQSXMSIHGXKZIR-APYJYERMSA-N 1 0 459.660 3.625 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CCOc3ccccc3)CC2)C1 ZINC001307044545 1069778234 /nfs/dbraw/zinc/77/82/34/1069778234.db2.gz QLTROUFLTRVNLS-HSZRJFAPSA-N 1 0 468.690 3.800 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1COC2(CCCCCC2)O1 ZINC001312202300 1069778246 /nfs/dbraw/zinc/77/82/46/1069778246.db2.gz FBNUGWKKUCRFAX-XMMPIXPASA-N 1 0 459.631 3.823 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001307044587 1069778274 /nfs/dbraw/zinc/77/82/74/1069778274.db2.gz RNDPXSMUHXZEST-JOCHJYFZSA-N 1 0 490.693 3.645 20 0 JHADRO CC(C)(C)OC(=O)C1(CNC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC001312203994 1069778749 /nfs/dbraw/zinc/77/87/49/1069778749.db2.gz MYWBWXQJNQCBLH-UHFFFAOYSA-N 1 0 459.631 3.869 20 0 JHADRO COc1ccc2c(c1)OC(C)(C)CN(C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C2 ZINC001312205332 1069780621 /nfs/dbraw/zinc/78/06/21/1069780621.db2.gz LEFWELNMMKYILH-UHFFFAOYSA-N 1 0 453.583 3.535 20 0 JHADRO CN(C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001312205746 1069781341 /nfs/dbraw/zinc/78/13/41/1069781341.db2.gz MXGHIRWUGFZPDV-ZCYQVOJMSA-N 1 0 455.574 3.844 20 0 JHADRO CN(C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001312205745 1069781385 /nfs/dbraw/zinc/78/13/85/1069781385.db2.gz MXGHIRWUGFZPDV-UKILVPOCSA-N 1 0 455.574 3.844 20 0 JHADRO C[C@@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H](c1ccccc1)[NH+](C)C ZINC001312207091 1069781979 /nfs/dbraw/zinc/78/19/79/1069781979.db2.gz CVZBSUVPMXZDJP-PXAZEXFGSA-N 1 0 454.884 3.892 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N[C@@H](C)CC)CC1 ZINC001307046704 1069786015 /nfs/dbraw/zinc/78/60/15/1069786015.db2.gz ZSASTDDJASPQQP-KRWDZBQOSA-N 1 0 462.042 3.609 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001307046645 1069786071 /nfs/dbraw/zinc/78/60/71/1069786071.db2.gz YCMMNAZCTFFTHP-QGZVFWFLSA-N 1 0 454.953 3.728 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(F)(F)C3)n2C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC001314199034 1069786697 /nfs/dbraw/zinc/78/66/97/1069786697.db2.gz RADFVFWYFHTEFI-UXHICEINSA-N 1 0 492.615 3.688 20 0 JHADRO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001312216049 1069787138 /nfs/dbraw/zinc/78/71/38/1069787138.db2.gz BSQSZVADRQWLMH-FQUZAXHOSA-N 1 0 454.590 3.550 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccccc3OCC)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001307046929 1069787385 /nfs/dbraw/zinc/78/73/85/1069787385.db2.gz TZXUUPOSQBQKRD-IRLDBZIGSA-N 1 0 471.646 3.585 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2C[C@H](C)O[C@H](COC)C2)C1 ZINC001307047698 1069790593 /nfs/dbraw/zinc/79/05/93/1069790593.db2.gz YPYBSOHSRGGXKT-FKBYEOEOSA-N 1 0 473.687 3.851 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001307047341 1069788997 /nfs/dbraw/zinc/78/89/97/1069788997.db2.gz YPUJTHZGKCVNCL-RTBURBONSA-N 1 0 498.569 3.801 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001307047338 1069789163 /nfs/dbraw/zinc/78/91/63/1069789163.db2.gz YPUJTHZGKCVNCL-MOPGFXCFSA-N 1 0 498.569 3.801 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001307048798 1069794691 /nfs/dbraw/zinc/79/46/91/1069794691.db2.gz YYTUWPIHLCJMRH-FQRUVTKNSA-N 1 0 455.647 3.739 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](COC(C)C)C2)C1 ZINC001307047772 1069791291 /nfs/dbraw/zinc/79/12/91/1069791291.db2.gz ZQSUNDBRYIBEAY-SSGKUCQKSA-N 1 0 477.694 3.559 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001314200528 1069792652 /nfs/dbraw/zinc/79/26/52/1069792652.db2.gz UQHBTKOYSPBCMK-YKSBVNFPSA-N 1 0 498.672 3.606 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCOC2)CC1 ZINC001307048213 1069793439 /nfs/dbraw/zinc/79/34/39/1069793439.db2.gz AEPCGHCUVINBTI-KRWDZBQOSA-N 1 0 479.467 3.783 20 0 JHADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC001312230201 1069795303 /nfs/dbraw/zinc/79/53/03/1069795303.db2.gz YZALFGHCCMZLRB-IBGZPJMESA-N 1 0 450.555 3.685 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H](OC)C2CC2)CC1 ZINC001307049016 1069795943 /nfs/dbraw/zinc/79/59/43/1069795943.db2.gz GQPKJRDNZMEKNN-HXUWFJFHSA-N 1 0 479.467 3.782 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[C@H](NC(C)=O)C3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001314202377 1069801708 /nfs/dbraw/zinc/80/17/08/1069801708.db2.gz PXLHWWOSYFKSCU-GMAHTHKFSA-N 1 0 498.672 3.654 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001307051444 1069804577 /nfs/dbraw/zinc/80/45/77/1069804577.db2.gz NSSSSXOILFUKAL-KRWDZBQOSA-N 1 0 466.552 3.735 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C)c(C)c3)n2C[C@](C)(O)C2CC2)CC1 ZINC001307051155 1069802925 /nfs/dbraw/zinc/80/29/25/1069802925.db2.gz JYVLMVCPLUCMIN-SANMLTNESA-N 1 0 455.647 3.946 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OCC(C)C)CC1 ZINC001307051608 1069804102 /nfs/dbraw/zinc/80/41/02/1069804102.db2.gz KJZPLXQFCPITMG-JOCHJYFZSA-N 1 0 468.646 3.623 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 ZINC001307051673 1069804939 /nfs/dbraw/zinc/80/49/39/1069804939.db2.gz RRARDHKXXQLRMN-WOJBJXKFSA-N 1 0 459.610 3.979 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2CCC(=O)N2CCCCC2)CC1 ZINC001307051869 1069805637 /nfs/dbraw/zinc/80/56/37/1069805637.db2.gz USLFEQKKJTYGMN-UHFFFAOYSA-N 1 0 486.636 3.709 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc[nH]3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 ZINC001307052047 1069806369 /nfs/dbraw/zinc/80/63/69/1069806369.db2.gz QXYYNMPQBXCPJC-UHFFFAOYSA-N 1 0 459.639 3.841 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[NH+]2CCCC2)cc1 ZINC001314203247 1069806825 /nfs/dbraw/zinc/80/68/25/1069806825.db2.gz OHOHADCPFKXDAO-REWPJTCUSA-N 1 0 457.619 3.774 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001307052415 1069808355 /nfs/dbraw/zinc/80/83/55/1069808355.db2.gz ABYLZVYCQMFLAQ-QFIPXVFZSA-N 1 0 456.610 3.768 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCOC1 ZINC001307052712 1069809250 /nfs/dbraw/zinc/80/92/50/1069809250.db2.gz DCRKBNCUQQSQCD-IFMALSPDSA-N 1 0 489.064 3.599 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001307052918 1069810200 /nfs/dbraw/zinc/81/02/00/1069810200.db2.gz ABIWTPMWYYRRFL-CTNGQTDRSA-N 1 0 485.629 3.616 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001307052893 1069810558 /nfs/dbraw/zinc/81/05/58/1069810558.db2.gz ITHVHZCCTWYBCX-MSOLQXFVSA-N 1 0 462.639 3.718 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1F ZINC001307053037 1069811450 /nfs/dbraw/zinc/81/14/50/1069811450.db2.gz FRMGDHOKIRICBQ-HXUWFJFHSA-N 1 0 465.577 3.965 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001307053274 1069811662 /nfs/dbraw/zinc/81/16/62/1069811662.db2.gz CGPFEFNSPMJMPE-NRFANRHFSA-N 1 0 485.629 3.616 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3cc(C)ccc3C)n2Cc2cc(C)nn2C)CC1 ZINC001307053465 1069812464 /nfs/dbraw/zinc/81/24/64/1069812464.db2.gz PBEKNFSOFYJVAE-UHFFFAOYSA-N 1 0 465.646 3.875 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](COC)C1 ZINC001307053944 1069814182 /nfs/dbraw/zinc/81/41/82/1069814182.db2.gz GTSFITDHGRHJIB-PZJWPPBQSA-N 1 0 479.572 3.663 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2CCOc2ccc(F)c(Cl)c2)CC1 ZINC001307054565 1069816434 /nfs/dbraw/zinc/81/64/34/1069816434.db2.gz ZKCRAHYQZDBRED-UHFFFAOYSA-N 1 0 493.027 3.583 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001307054660 1069817177 /nfs/dbraw/zinc/81/71/77/1069817177.db2.gz KSNNGWLPIUIWHD-AZUAARDMSA-N 1 0 489.462 3.674 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)NC)CC1 ZINC001307055248 1069821635 /nfs/dbraw/zinc/82/16/35/1069821635.db2.gz OLYJYPZITSUUKB-QHCPKHFHSA-N 1 0 452.647 3.734 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](COC)C1 ZINC001307055443 1069821756 /nfs/dbraw/zinc/82/17/56/1069821756.db2.gz PWCSWCIFLCISBR-MJGOQNOKSA-N 1 0 479.467 3.783 20 0 JHADRO O=C(NCCc1csc(-c2ccccc2)n1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001312264065 1069821733 /nfs/dbraw/zinc/82/17/33/1069821733.db2.gz BWXKVTNUULSMPS-GMAHTHKFSA-N 1 0 450.608 3.535 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001307055486 1069822498 /nfs/dbraw/zinc/82/24/98/1069822498.db2.gz OZKFCMFAWAYTGT-RTBURBONSA-N 1 0 489.462 3.592 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)NC(C)C ZINC001307056435 1069827378 /nfs/dbraw/zinc/82/73/78/1069827378.db2.gz SVIYASMKFHZUJY-GOSISDBHSA-N 1 0 465.017 3.963 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001307056534 1069828888 /nfs/dbraw/zinc/82/88/88/1069828888.db2.gz AUAZOCHTMVAHSP-XMMPIXPASA-N 1 0 497.688 3.833 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001307056579 1069828185 /nfs/dbraw/zinc/82/81/85/1069828185.db2.gz BRLXBHFUZRMALB-HSZRJFAPSA-N 1 0 482.673 3.830 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(CC(C)C)n3CC[N@H+](C)C3CCCCC3)CC2)n1 ZINC001314209752 1069829206 /nfs/dbraw/zinc/82/92/06/1069829206.db2.gz ZFQNMRKTSSELCC-UHFFFAOYSA-N 1 0 469.678 3.861 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001307056888 1069829839 /nfs/dbraw/zinc/82/98/39/1069829839.db2.gz CSJWTVNWMUIHPD-TZIWHRDSSA-N 1 0 489.690 3.613 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C)C1 ZINC001307056680 1069829897 /nfs/dbraw/zinc/82/98/97/1069829897.db2.gz WDRHNBVTDOSYHK-WBVHZDCISA-N 1 0 451.413 3.525 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCCO3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001307056951 1069830849 /nfs/dbraw/zinc/83/08/49/1069830849.db2.gz UADSHCSYOKMMJD-LJQANCHMSA-N 1 0 460.589 3.715 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001307058280 1069837807 /nfs/dbraw/zinc/83/78/07/1069837807.db2.gz ZFIVAFAKEJWFPC-SVFBPWRDSA-N 1 0 457.619 3.840 20 0 JHADRO COc1ccccc1N1CC[C@H](NC(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)C1 ZINC001312280730 1069834506 /nfs/dbraw/zinc/83/45/06/1069834506.db2.gz WBMIPCALVRXFPO-RBUKOAKNSA-N 1 0 450.505 3.895 20 0 JHADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCC(c2cccc(Br)c2)CC1 ZINC001312281621 1069835483 /nfs/dbraw/zinc/83/54/83/1069835483.db2.gz WYKROXRDFPOJJY-LEWJYISDSA-N 1 0 450.421 3.716 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC001307058301 1069838426 /nfs/dbraw/zinc/83/84/26/1069838426.db2.gz YJOAVGZCRDLKAD-SFHVURJKSA-N 1 0 479.572 3.751 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001307057875 1069836339 /nfs/dbraw/zinc/83/63/39/1069836339.db2.gz GKLKBWLKMJSISQ-FXAWDEMLSA-N 1 0 499.651 3.971 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001307057919 1069836912 /nfs/dbraw/zinc/83/69/12/1069836912.db2.gz GSJCKEDPOYRAAB-GRMGDBHTSA-N 1 0 480.682 3.902 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001307058827 1069842466 /nfs/dbraw/zinc/84/24/66/1069842466.db2.gz QLGFZGCTNWVKLY-WSTZPKSXSA-N 1 0 495.640 3.920 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(F)F)CC1 ZINC001307059296 1069844507 /nfs/dbraw/zinc/84/45/07/1069844507.db2.gz RKRILZZKDGXKQR-JOCHJYFZSA-N 1 0 460.617 3.829 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001307059487 1069845978 /nfs/dbraw/zinc/84/59/78/1069845978.db2.gz XGBRNTWLYYLRKC-YPAWHYETSA-N 1 0 490.693 3.882 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001307060010 1069846438 /nfs/dbraw/zinc/84/64/38/1069846438.db2.gz ZAABNXSJSVOUIT-FGZHOGPDSA-N 1 0 461.676 3.825 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001307060014 1069846494 /nfs/dbraw/zinc/84/64/94/1069846494.db2.gz ZAABNXSJSVOUIT-YADHBBJMSA-N 1 0 461.676 3.825 20 0 JHADRO CCCN1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCC[N@@H+]2CC)CC1=O ZINC001307061971 1069856809 /nfs/dbraw/zinc/85/68/09/1069856809.db2.gz RZTLBEWUWKWLLN-PKTZIBPZSA-N 1 0 482.673 3.968 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CC[C@H]1CCOC1 ZINC001314219421 1069862176 /nfs/dbraw/zinc/86/21/76/1069862176.db2.gz YQBZENIGZXOYCE-HBMCJLEFSA-N 1 0 457.619 3.601 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001314218621 1069859697 /nfs/dbraw/zinc/85/96/97/1069859697.db2.gz VGCBOCPLAGHLDH-OALUTQOASA-N 1 0 457.619 3.742 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001307063233 1069861802 /nfs/dbraw/zinc/86/18/02/1069861802.db2.gz OBDITBBKAUUPLA-RBUKOAKNSA-N 1 0 472.659 3.560 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001307063262 1069861972 /nfs/dbraw/zinc/86/19/72/1069861972.db2.gz OUUOKXGGLPGXPM-GGAORHGYSA-N 1 0 481.689 3.983 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCO[C@@H](C)C1 ZINC001307064630 1069867530 /nfs/dbraw/zinc/86/75/30/1069867530.db2.gz DJIMNWYVJAFCIE-KJJMTIBFSA-N 1 0 490.693 3.929 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H](C)OC ZINC001314221521 1069872356 /nfs/dbraw/zinc/87/23/56/1069872356.db2.gz ZUCOLVYXJGEOJQ-FQEVSTJZSA-N 1 0 457.619 3.745 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@@H](C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314222157 1069875712 /nfs/dbraw/zinc/87/57/12/1069875712.db2.gz HOBPRWJOHOEKGY-NJYVYQBISA-N 1 0 457.619 3.601 20 0 JHADRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001312340524 1069874074 /nfs/dbraw/zinc/87/40/74/1069874074.db2.gz ITVQBIGJYBONDV-NAVOZUGXSA-N 1 0 469.651 3.839 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[C@](C)(OC)C2)n1CC[N@H+]1CC=CCC1 ZINC001314222127 1069874705 /nfs/dbraw/zinc/87/47/05/1069874705.db2.gz JTEIFLVEMVKGQQ-VWLOTQADSA-N 1 0 455.603 3.523 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)[C@@H]2C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001314222605 1069877729 /nfs/dbraw/zinc/87/77/29/1069877729.db2.gz MHYNNTFVPCLJTJ-SFTDATJTSA-N 1 0 471.646 3.726 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[C@@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314222729 1069878217 /nfs/dbraw/zinc/87/82/17/1069878217.db2.gz QIXPWLOPBWFUJS-NTKDMRAZSA-N 1 0 459.660 3.929 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](COC)C1 ZINC001307067971 1069879093 /nfs/dbraw/zinc/87/90/93/1069879093.db2.gz MYFRUBTXXPSLEI-UNMCSNQZSA-N 1 0 478.037 3.627 20 0 JHADRO Cc1ccc(-c2nc3ccccc3c(N[C@@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)n2)s1 ZINC001307071951 1069886010 /nfs/dbraw/zinc/88/60/10/1069886010.db2.gz ZTSXLASUGQSQEF-QFIPXVFZSA-N 1 0 459.619 3.790 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001307070258 1069886109 /nfs/dbraw/zinc/88/61/09/1069886109.db2.gz ZYMMWCKIMBIKGW-HXUWFJFHSA-N 1 0 498.569 3.945 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccsc3)n2CC[N@H+](C)Cc2ccccc2)CC1=O ZINC001307069742 1069882926 /nfs/dbraw/zinc/88/29/26/1069882926.db2.gz SEAMBJPGZABNRY-UHFFFAOYSA-N 1 0 466.655 3.511 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H](CC)OC ZINC001314224235 1069883797 /nfs/dbraw/zinc/88/37/97/1069883797.db2.gz NWKQTUIMOQUORL-HXUWFJFHSA-N 1 0 459.635 3.991 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001307070163 1069884547 /nfs/dbraw/zinc/88/45/47/1069884547.db2.gz YHNYTUBXRNMQRQ-LGVFNWMJSA-N 1 0 471.646 3.991 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nnc1C(C)(C)C ZINC001307070209 1069885053 /nfs/dbraw/zinc/88/50/53/1069885053.db2.gz ZBVPCWSFPMIPLO-ICSRJNTNSA-N 1 0 471.646 3.911 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCc1csc(C)n1 ZINC001314225625 1069891169 /nfs/dbraw/zinc/89/11/69/1069891169.db2.gz NJQRLDHQLBECDP-SFHVURJKSA-N 1 0 470.643 3.794 20 0 JHADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001312371373 1069893430 /nfs/dbraw/zinc/89/34/30/1069893430.db2.gz YBDPSCQXAOSNKT-FGZHOGPDSA-N 1 0 461.532 3.660 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)C[C@@]2(C)C1 ZINC001312370907 1069893581 /nfs/dbraw/zinc/89/35/81/1069893581.db2.gz XXNVCKCZPGHRGS-PLQXJYEYSA-N 1 0 457.619 3.587 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001314226498 1069895857 /nfs/dbraw/zinc/89/58/57/1069895857.db2.gz VHPIWSDKBOXAFS-QHCPKHFHSA-N 1 0 471.646 3.993 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@H](OC)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314226967 1069899954 /nfs/dbraw/zinc/89/99/54/1069899954.db2.gz XCCWNQPWEKONEL-ISJBWFOZSA-N 1 0 471.646 3.991 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCc1nc(C)no1 ZINC001314227307 1069901958 /nfs/dbraw/zinc/90/19/58/1069901958.db2.gz MIQVPFIYBCNZPC-UHFFFAOYSA-N 1 0 497.644 3.891 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001314228055 1069904880 /nfs/dbraw/zinc/90/48/80/1069904880.db2.gz ULONEQNWVUHYQR-NRFANRHFSA-N 1 0 498.672 3.577 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCOC[C@@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001314228931 1069909306 /nfs/dbraw/zinc/90/93/06/1069909306.db2.gz NPFJCJBHHXKHMT-NRFANRHFSA-N 1 0 457.619 3.603 20 0 JHADRO Cc1cccc2c1OC[C@H](NC(=O)NCCc1ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc1)C2 ZINC001312406307 1069914025 /nfs/dbraw/zinc/91/40/25/1069914025.db2.gz VYSXTNJFHXWRQH-ZFGGDYGUSA-N 1 0 451.611 3.807 20 0 JHADRO CCOc1ncccc1Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001314232640 1069923006 /nfs/dbraw/zinc/92/30/06/1069923006.db2.gz IYYQFVIJLKRWIF-UHFFFAOYSA-N 1 0 450.587 3.538 20 0 JHADRO COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC001312424823 1069927436 /nfs/dbraw/zinc/92/74/36/1069927436.db2.gz ZJLLOFPKKIGDPH-UIOOFZCWSA-N 1 0 450.627 3.961 20 0 JHADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001312425093 1069928316 /nfs/dbraw/zinc/92/83/16/1069928316.db2.gz GQAXLLIAHKZBBP-GJZGRUSLSA-N 1 0 450.299 3.725 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)[NH+](C)C)C12CCC2 ZINC001314246588 1069963883 /nfs/dbraw/zinc/96/38/83/1069963883.db2.gz TXYUMVMXTBUTEJ-VOQZNFBZSA-N 1 0 457.619 3.696 20 0 JHADRO 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O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001312514827 1069982768 /nfs/dbraw/zinc/98/27/68/1069982768.db2.gz ASTVXIOCHXQRMI-PKOBYXMFSA-N 1 0 452.521 3.907 20 0 JHADRO CCOC1CC(O)(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001314254744 1069989143 /nfs/dbraw/zinc/98/91/43/1069989143.db2.gz RKARULHKNMNVHW-ABOIVYGLSA-N 1 0 485.673 3.743 20 0 JHADRO COc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)cc1 ZINC001307448057 1069989509 /nfs/dbraw/zinc/98/95/09/1069989509.db2.gz MCDVHOILXJCWOU-AOMKIAJQSA-N 1 0 450.501 3.739 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1(C)C ZINC001314256333 1069992129 /nfs/dbraw/zinc/99/21/29/1069992129.db2.gz ODWDDGQEKOPFBZ-NKKJXINNSA-N 1 0 486.680 3.674 20 0 JHADRO CN(C[C@](C)(O)C[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)C(=O)OC(C)(C)C ZINC001307454155 1069993987 /nfs/dbraw/zinc/99/39/87/1069993987.db2.gz KRENNXCELLWRQH-XXBNENTESA-N 1 0 451.995 3.706 20 0 JHADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001307455917 1069995453 /nfs/dbraw/zinc/99/54/53/1069995453.db2.gz UKRPEQJTGVQONR-UHFFFAOYSA-N 1 0 452.546 3.877 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cnccn3)n2Cc2cccc(C[N@H+](C)CC)c2)C1(C)C ZINC001314260502 1070001729 /nfs/dbraw/zinc/00/17/29/1070001729.db2.gz ZLRIODSDQVEAQG-DHIUTWEWSA-N 1 0 463.630 3.875 20 0 JHADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)CC2CC2)ccc1Cl ZINC001307475178 1070006336 /nfs/dbraw/zinc/00/63/36/1070006336.db2.gz QXONOQKTNXFNTN-UHFFFAOYSA-N 1 0 453.967 3.580 20 0 JHADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001307479360 1070008123 /nfs/dbraw/zinc/00/81/23/1070008123.db2.gz OVPIYZAJMIZRBV-QZTJIDSGSA-N 1 0 457.537 3.865 20 0 JHADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001312551421 1070008132 /nfs/dbraw/zinc/00/81/32/1070008132.db2.gz SFHZOBCAOIETFD-UHFFFAOYSA-N 1 0 450.505 3.791 20 0 JHADRO 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CCO[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001314274303 1070031014 /nfs/dbraw/zinc/03/10/14/1070031014.db2.gz HEDSFTGOODWVCA-DNQXCXABSA-N 1 0 465.646 3.756 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001314278621 1070039603 /nfs/dbraw/zinc/03/96/03/1070039603.db2.gz YMTJPXSBMFDOEE-QFIPXVFZSA-N 1 0 473.637 3.903 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001314281168 1070045627 /nfs/dbraw/zinc/04/56/27/1070045627.db2.gz FFEXLFTYTMLKAU-PCCBWWKXSA-N 1 0 475.609 3.501 20 0 JHADRO COc1ccc(CN2CCN(C(=O)NC[C@]3(C)CC[N@H+](Cc4ccccc4)C3)CC2)cc1F ZINC001312615917 1070045848 /nfs/dbraw/zinc/04/58/48/1070045848.db2.gz SKDPEFRZKRFJSU-SANMLTNESA-N 1 0 454.590 3.574 20 0 JHADRO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC001307551137 1070048468 /nfs/dbraw/zinc/04/84/68/1070048468.db2.gz DRCYJTDWOFCUBH-WZONZLPQSA-N 1 0 454.633 3.922 20 0 JHADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccc(Br)cc2)CC1 ZINC001312627050 1070050341 /nfs/dbraw/zinc/05/03/41/1070050341.db2.gz IMWRCUUAYKUUGY-FQEVSTJZSA-N 1 0 457.416 3.803 20 0 JHADRO C[C@]12CN(C(=O)NCCCCn3cc(Br)cn3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001312628727 1070052072 /nfs/dbraw/zinc/05/20/72/1070052072.db2.gz QPLBEAHFOLGIJY-KNQAVFIVSA-N 1 0 460.420 3.589 20 0 JHADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC001312630212 1070052815 /nfs/dbraw/zinc/05/28/15/1070052815.db2.gz ZDQVNZAQWDQVRC-AZUAARDMSA-N 1 0 458.404 3.998 20 0 JHADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC001312630683 1070053487 /nfs/dbraw/zinc/05/34/87/1070053487.db2.gz WVDYKECKFLIXEE-HOTGVXAUSA-N 1 0 455.384 3.738 20 0 JHADRO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001307573730 1070059839 /nfs/dbraw/zinc/05/98/39/1070059839.db2.gz LYDXNWMOEWQUQF-KYHPRHEASA-N 1 0 452.521 3.716 20 0 JHADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@H]2CCCC[C@@H]12 ZINC001307572659 1070059262 /nfs/dbraw/zinc/05/92/62/1070059262.db2.gz BBTDCDOTEDNRFC-CJBVTVNNSA-N 1 0 456.052 3.671 20 0 JHADRO CC(C)Oc1ccc(-c2cccc([C@@H](C)[N@H+](C)CCNS(=O)(=O)c3cnn(C)c3)c2)cc1 ZINC001307584007 1070063535 /nfs/dbraw/zinc/06/35/35/1070063535.db2.gz OWLSSMYUGONOIY-LJQANCHMSA-N 1 0 456.612 3.846 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC001307585250 1070064424 /nfs/dbraw/zinc/06/44/24/1070064424.db2.gz KFEZWBLNOJCODT-REWPJTCUSA-N 1 0 452.599 3.963 20 0 JHADRO CCCCC[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001307580703 1070062870 /nfs/dbraw/zinc/06/28/70/1070062870.db2.gz FUVXBFGQAPPXFC-QHCPKHFHSA-N 1 0 457.640 3.717 20 0 JHADRO C[C@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC001312661896 1070069537 /nfs/dbraw/zinc/06/95/37/1070069537.db2.gz UBTPMNZOJUBUKZ-YWZLYKJASA-N 1 0 452.368 3.784 20 0 JHADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH2+][C@@]2(CO)CCc3ccccc32)cc1 ZINC001307593232 1070069921 /nfs/dbraw/zinc/06/99/21/1070069921.db2.gz XIJUBJILZFIOCN-HHHXNRCGSA-N 1 0 459.546 3.700 20 0 JHADRO C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001307599462 1070074013 /nfs/dbraw/zinc/07/40/13/1070074013.db2.gz MKDVYPDYOHGOET-QGZVFWFLSA-N 1 0 453.002 3.510 20 0 JHADRO CCOCc1ccccc1Cn1c([C@H](C)CC)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001314294393 1070077602 /nfs/dbraw/zinc/07/76/02/1070077602.db2.gz BFHMIGAJXVGQLN-UFPGJGBJSA-N 1 0 496.700 3.755 20 0 JHADRO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC001307614277 1070082104 /nfs/dbraw/zinc/08/21/04/1070082104.db2.gz DIWQLCULNYUWOD-DEOSSOPVSA-N 1 0 457.596 3.549 20 0 JHADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001312702200 1070086277 /nfs/dbraw/zinc/08/62/77/1070086277.db2.gz UURODKZWTIXDPQ-UGKGYDQZSA-N 1 0 451.640 3.905 20 0 JHADRO CCOCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@@H]1CCOC[C@H]1C ZINC001314304521 1070090481 /nfs/dbraw/zinc/09/04/81/1070090481.db2.gz YTNYRBFVTRGELB-CJTFWIGWSA-N 1 0 455.647 3.977 20 0 JHADRO CCOCc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314304816 1070090931 /nfs/dbraw/zinc/09/09/31/1070090931.db2.gz VHVCROFOBTVQMP-IFMALSPDSA-N 1 0 490.718 3.506 20 0 JHADRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](CN2CCOCC2)c2ccc(C)cc2)cc1 ZINC001307641952 1070097247 /nfs/dbraw/zinc/09/72/47/1070097247.db2.gz ZXSGMKWRNSFFPW-FTJBHMTQSA-N 1 0 451.611 3.720 20 0 JHADRO O=C(NC/C=C\c1ccc(Br)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001312753677 1070104464 /nfs/dbraw/zinc/10/44/64/1070104464.db2.gz AMDAJTKUTZASPU-JXIMZPAUSA-N 1 0 458.400 3.645 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC001307656316 1070106354 /nfs/dbraw/zinc/10/63/54/1070106354.db2.gz DEXAZSLZQJYXOJ-QZTJIDSGSA-N 1 0 452.990 3.605 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)CN1CCc2c(Br)ccc(Cl)c2C1)c1ccccc1 ZINC001307656970 1070106371 /nfs/dbraw/zinc/10/63/71/1070106371.db2.gz XUMYVKVVSAENTO-FQEVSTJZSA-N 1 0 450.808 3.880 20 0 JHADRO C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1=O ZINC001312757658 1070106871 /nfs/dbraw/zinc/10/68/71/1070106871.db2.gz QKLFDLSZQWKUHS-WZONZLPQSA-N 1 0 458.553 3.790 20 0 JHADRO CCOCc1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314323979 1070109597 /nfs/dbraw/zinc/10/95/97/1070109597.db2.gz UHMRFMIEHBILOO-NNXSRULWSA-N 1 0 471.646 3.669 20 0 JHADRO COc1ccc(C[C@](C)(CO)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001312768509 1070112854 /nfs/dbraw/zinc/11/28/54/1070112854.db2.gz PXJKTLKDCGVYSH-SGLZHPSQSA-N 1 0 451.611 3.874 20 0 JHADRO C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307671515 1070115549 /nfs/dbraw/zinc/11/55/49/1070115549.db2.gz XJTZWTSZMMMZHP-RZQQEMMASA-N 1 0 452.521 3.535 20 0 JHADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 ZINC001307671734 1070115589 /nfs/dbraw/zinc/11/55/89/1070115589.db2.gz GMVVCMOSTOSMME-HSZRJFAPSA-N 1 0 452.555 3.957 20 0 JHADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 ZINC001307682139 1070122847 /nfs/dbraw/zinc/12/28/47/1070122847.db2.gz HBKINUXSEIJKCY-FYYLOGMGSA-N 1 0 459.594 3.907 20 0 JHADRO COc1ccc([C@@H](C)NC(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)c(C)c1OC ZINC001312792665 1070123358 /nfs/dbraw/zinc/12/33/58/1070123358.db2.gz GGOWZANFBXMIEW-HXUWFJFHSA-N 1 0 452.599 3.727 20 0 JHADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCC1(c2ccccc2Br)CCC1 ZINC001312799512 1070129099 /nfs/dbraw/zinc/12/90/99/1070129099.db2.gz CNHSDJNAXDOMTM-UHFFFAOYSA-N 1 0 450.421 3.625 20 0 JHADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC001307691557 1070129098 /nfs/dbraw/zinc/12/90/98/1070129098.db2.gz GQFQKLPJUQFETB-HNNXBMFYSA-N 1 0 452.315 3.721 20 0 JHADRO CCOCc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001314332002 1070125405 /nfs/dbraw/zinc/12/54/05/1070125405.db2.gz OVXNXNILBMYQBQ-UHFFFAOYSA-N 1 0 466.671 3.817 20 0 JHADRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)NCc2ccccc2COc2ccccc2)C1 ZINC001307693283 1070130213 /nfs/dbraw/zinc/13/02/13/1070130213.db2.gz CRSSSCZBZATLJU-UNMCSNQZSA-N 1 0 453.583 3.728 20 0 JHADRO CCOCc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001314333462 1070127948 /nfs/dbraw/zinc/12/79/48/1070127948.db2.gz CTKNLOJUBNJFOP-TZIWHRDSSA-N 1 0 478.682 3.819 20 0 JHADRO CC(C)(C)OC(=O)CN1CC[C@H]([NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)C1=O ZINC001307695784 1070132713 /nfs/dbraw/zinc/13/27/13/1070132713.db2.gz PONWHOANQAADFP-SFHVURJKSA-N 1 0 456.505 3.739 20 0 JHADRO CCOCc1nnc(N2CCC(c3cccc(OC)c3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314337320 1070132667 /nfs/dbraw/zinc/13/26/67/1070132667.db2.gz ITECHXBTBKTXRR-SFTDATJTSA-N 1 0 471.646 3.707 20 0 JHADRO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC001307705071 1070136037 /nfs/dbraw/zinc/13/60/37/1070136037.db2.gz ILLNJPMJKKXEMQ-GMAHTHKFSA-N 1 0 452.378 3.952 20 0 JHADRO CCOCc1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001314339682 1070136467 /nfs/dbraw/zinc/13/64/67/1070136467.db2.gz PJSOCBPKYFOOQB-NRFANRHFSA-N 1 0 455.647 3.811 20 0 JHADRO CN(CCCOc1ccc(F)cc1)C(=O)C[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001307705152 1070136797 /nfs/dbraw/zinc/13/67/97/1070136797.db2.gz GBWZINZJNPMPLD-NQIIRXRSSA-N 1 0 451.583 3.726 20 0 JHADRO CC(C)(C)CCOc1cnccc1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001312814537 1070138232 /nfs/dbraw/zinc/13/82/32/1070138232.db2.gz SVRBPZZODVWAQW-DHIUTWEWSA-N 1 0 454.615 3.579 20 0 JHADRO CCOCc1nnc(N2CCC(c3ccc(OC)cc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314340712 1070139384 /nfs/dbraw/zinc/13/93/84/1070139384.db2.gz SNDVNPDFLOOCNA-XMMPIXPASA-N 1 0 459.660 3.645 20 0 JHADRO Cc1occc1C(=O)NC1CCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001312820855 1070142097 /nfs/dbraw/zinc/14/20/97/1070142097.db2.gz GGGUSBXIJMNZAE-JOCHJYFZSA-N 1 0 452.599 3.794 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCc1ccc(OC)c(F)c1 ZINC001314342532 1070144209 /nfs/dbraw/zinc/14/42/09/1070144209.db2.gz HLZNTBAXMBRRIA-BGYRXZFFSA-N 1 0 489.636 3.531 20 0 JHADRO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC001307720359 1070145264 /nfs/dbraw/zinc/14/52/64/1070145264.db2.gz VCNDASSCICZEGI-UZLBHIALSA-N 1 0 459.384 3.973 20 0 JHADRO CCOCc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001314343566 1070146713 /nfs/dbraw/zinc/14/67/13/1070146713.db2.gz GTGWTFDYTBHBOP-QFIPXVFZSA-N 1 0 499.660 3.572 20 0 JHADRO CCOCc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314344985 1070149893 /nfs/dbraw/zinc/14/98/93/1070149893.db2.gz DKIUJOMQUKEGLQ-PMACEKPBSA-N 1 0 478.682 3.676 20 0 JHADRO NC(=O)C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1 ZINC001312840572 1070149954 /nfs/dbraw/zinc/14/99/54/1070149954.db2.gz VGWUWQOJXGBKCD-CCDWMCETSA-N 1 0 460.553 3.710 20 0 JHADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001312841319 1070150436 /nfs/dbraw/zinc/15/04/36/1070150436.db2.gz OJVYMUBBVMPUQY-YTFSRNRJSA-N 1 0 458.647 3.838 20 0 JHADRO CCOCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001314346130 1070151682 /nfs/dbraw/zinc/15/16/82/1070151682.db2.gz GNWVZLURIILOKQ-UHFFFAOYSA-N 1 0 458.554 3.793 20 0 JHADRO C[C@@H]1CN(c2cccc(C[N@H+](C)C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)S(=O)(=O)C1 ZINC001307728703 1070153040 /nfs/dbraw/zinc/15/30/40/1070153040.db2.gz RWZFPFGNQMWSCT-UYAOXDASSA-N 1 0 451.633 3.551 20 0 JHADRO O=C(C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1)NCc1cnn(-c2ccccc2)c1 ZINC001307729310 1070153139 /nfs/dbraw/zinc/15/31/39/1070153139.db2.gz JVZJNYAPDDYRMX-UHFFFAOYSA-N 1 0 458.484 3.803 20 0 JHADRO CC(C)[C@H](CNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1)[NH+]1CCCC1 ZINC001312854345 1070156997 /nfs/dbraw/zinc/15/69/97/1070156997.db2.gz GYDXMIDFDLQLCI-NRFANRHFSA-N 1 0 451.453 3.833 20 0 JHADRO CCOCc1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001314349417 1070163637 /nfs/dbraw/zinc/16/36/37/1070163637.db2.gz NCESLQZRKGCPGE-CPJSRVTESA-N 1 0 459.610 3.706 20 0 JHADRO CCOCc1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001314349418 1070163652 /nfs/dbraw/zinc/16/36/52/1070163652.db2.gz NCESLQZRKGCPGE-NBGIEHNGSA-N 1 0 459.610 3.706 20 0 JHADRO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001307747358 1070163780 /nfs/dbraw/zinc/16/37/80/1070163780.db2.gz YAHZUBXIUWYZKU-HNNXBMFYSA-N 1 0 453.848 3.815 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC001312884386 1070166326 /nfs/dbraw/zinc/16/63/26/1070166326.db2.gz GAVGGTCDUQOAKF-PZUNEJSGSA-N 1 0 453.627 3.854 20 0 JHADRO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC001307751421 1070166589 /nfs/dbraw/zinc/16/65/89/1070166589.db2.gz HLHPBEXIJMHWON-CYGODWOOSA-N 1 0 451.633 3.613 20 0 JHADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC001307768643 1070176048 /nfs/dbraw/zinc/17/60/48/1070176048.db2.gz SYOIMMXMNYHERG-RWMBFGLXSA-N 1 0 452.304 3.513 20 0 JHADRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C[C@@H]1OCc1ccccc1 ZINC001307777052 1070179670 /nfs/dbraw/zinc/17/96/70/1070179670.db2.gz DIXAKBYYEAYVOS-MOPGFXCFSA-N 1 0 452.523 3.595 20 0 JHADRO CCOCc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001314358821 1070181482 /nfs/dbraw/zinc/18/14/82/1070181482.db2.gz OFQAVHPEVXELLZ-KRWDZBQOSA-N 1 0 489.546 3.707 20 0 JHADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CC(=O)NCCCN1CCCCCC1=O ZINC001307801086 1070188057 /nfs/dbraw/zinc/18/80/57/1070188057.db2.gz VIFNDQPUQMVAHR-NRFANRHFSA-N 1 0 450.421 3.571 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314363817 1070190213 /nfs/dbraw/zinc/19/02/13/1070190213.db2.gz HMKUGLOTXWLTFM-OALUTQOASA-N 1 0 478.663 3.673 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314363816 1070190418 /nfs/dbraw/zinc/19/04/18/1070190418.db2.gz HMKUGLOTXWLTFM-MOPGFXCFSA-N 1 0 478.663 3.673 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CC1(SC)CCOCC1 ZINC001314363926 1070191137 /nfs/dbraw/zinc/19/11/37/1070191137.db2.gz FFNQXOSJIMXIEU-LEWJYISDSA-N 1 0 465.708 3.818 20 0 JHADRO O=C1[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2)CCCN1c1ccc(OC(F)F)cc1 ZINC001307806714 1070192230 /nfs/dbraw/zinc/19/22/30/1070192230.db2.gz DYGWAAJSEJLLAL-QZTJIDSGSA-N 1 0 455.299 3.869 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314365351 1070195167 /nfs/dbraw/zinc/19/51/67/1070195167.db2.gz KEFQJFPWUFNRKV-VIZSFHNOSA-N 1 0 459.610 3.900 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC[C@H](OC)C(F)(F)F ZINC001314365960 1070196682 /nfs/dbraw/zinc/19/66/82/1070196682.db2.gz NIWYCIVCJMIBIU-MOPGFXCFSA-N 1 0 461.573 3.730 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC001307821240 1070200238 /nfs/dbraw/zinc/20/02/38/1070200238.db2.gz VSKBWSLAJQVJTC-QPPBQGQZSA-N 1 0 457.615 3.750 20 0 JHADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)NCCC[N@@H+](CC)C2CCCCC2)CC1 ZINC001312964304 1070202031 /nfs/dbraw/zinc/20/20/31/1070202031.db2.gz PEEDPTZJQDTPTO-UHFFFAOYSA-N 1 0 457.663 3.559 20 0 JHADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC001307827558 1070202594 /nfs/dbraw/zinc/20/25/94/1070202594.db2.gz RZQKLXADMHETKQ-LJQANCHMSA-N 1 0 459.612 3.776 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCCN1CCCCCC1=O ZINC001314368986 1070204788 /nfs/dbraw/zinc/20/47/88/1070204788.db2.gz YKAPDUYPIAWISQ-DHIUTWEWSA-N 1 0 474.694 3.698 20 0 JHADRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc1OC ZINC001307836928 1070205777 /nfs/dbraw/zinc/20/57/77/1070205777.db2.gz NENPSHDGFMTXQW-DZFGPLHGSA-N 1 0 479.543 3.809 20 0 JHADRO CCOCc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001314374203 1070212695 /nfs/dbraw/zinc/21/26/95/1070212695.db2.gz AUMVDLOCXHCTIC-OAQYLSRUSA-N 1 0 486.636 3.571 20 0 JHADRO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 ZINC001312994408 1070216153 /nfs/dbraw/zinc/21/61/53/1070216153.db2.gz ULHUSFMQJDEPSS-FPOVZHCZSA-N 1 0 480.625 3.911 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC001307863616 1070216369 /nfs/dbraw/zinc/21/63/69/1070216369.db2.gz XQFMPXNKCAMDRN-HZPDHXFCSA-N 1 0 473.355 3.655 20 0 JHADRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc(S(=O)(=O)N(C)C)cc1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307866109 1070217328 /nfs/dbraw/zinc/21/73/28/1070217328.db2.gz VSUORLWQOIRTQT-GOSISDBHSA-N 1 0 451.633 3.548 20 0 JHADRO CCOCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001314377563 1070219908 /nfs/dbraw/zinc/21/99/08/1070219908.db2.gz FCSBPGMYPYZILC-HXUWFJFHSA-N 1 0 478.682 3.772 20 0 JHADRO CC(C)(C)OC(=O)[C@@H]1C[N@@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)C[C@H]1c1ccccc1 ZINC001307877400 1070219967 /nfs/dbraw/zinc/21/99/67/1070219967.db2.gz LBQACARRKDYYDS-LMMUWCHVSA-N 1 0 460.615 3.804 20 0 JHADRO CCOCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCN(CC)C(=O)OC(C)(C)C ZINC001314378688 1070221895 /nfs/dbraw/zinc/22/18/95/1070221895.db2.gz OLDZJTDALQKEAX-UHFFFAOYSA-N 1 0 464.655 3.526 20 0 JHADRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[NH2+]C3(c4ccc(C(F)(F)F)cc4)CC3)CC2)C1 ZINC001307888536 1070226934 /nfs/dbraw/zinc/22/69/34/1070226934.db2.gz XVZCCHVSWHFIGJ-KRWDZBQOSA-N 1 0 451.533 3.781 20 0 JHADRO CCC[C@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[N@@H+]1CCOC ZINC001313024736 1070224643 /nfs/dbraw/zinc/22/46/43/1070224643.db2.gz RNHMNOJLCHPLQL-FQEVSTJZSA-N 1 0 452.437 3.914 20 0 JHADRO Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cn1 ZINC001313033875 1070228525 /nfs/dbraw/zinc/22/85/25/1070228525.db2.gz QBRXXGPPVQGPDE-PZJWPPBQSA-N 1 0 451.537 3.924 20 0 JHADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)[C@@H]2CCCC[C@@H]12 ZINC001307911334 1070236602 /nfs/dbraw/zinc/23/66/02/1070236602.db2.gz ZNRNYEIYABFMCS-UWHLTILDSA-N 1 0 450.620 3.846 20 0 JHADRO CCOC(=O)c1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)on1 ZINC001307918453 1070240387 /nfs/dbraw/zinc/24/03/87/1070240387.db2.gz GAYNDLDLBXFLPL-FPOVZHCZSA-N 1 0 459.543 3.743 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CC(=O)Nc2ncccc2C)cc1F ZINC001307921664 1070243390 /nfs/dbraw/zinc/24/33/90/1070243390.db2.gz NQIHJFNQBZBFCC-ICSRJNTNSA-N 1 0 472.561 3.859 20 0 JHADRO O=C(C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)Nc1ccccc1C(F)(F)F ZINC001307928143 1070246294 /nfs/dbraw/zinc/24/62/94/1070246294.db2.gz GHPADACKCHOVRR-LJQANCHMSA-N 1 0 457.290 3.916 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1Cc1cc(OC)c(OC)c(OC)c1 ZINC001314391700 1070246571 /nfs/dbraw/zinc/24/65/71/1070246571.db2.gz YIJVIKUDCVVPAL-UHFFFAOYSA-N 1 0 487.645 3.589 20 0 JHADRO C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001313085179 1070244783 /nfs/dbraw/zinc/24/47/83/1070244783.db2.gz NCDNSTFPQSWINU-QFIPXVFZSA-N 1 0 459.594 3.680 20 0 JHADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)ccc1C ZINC001307948319 1070254966 /nfs/dbraw/zinc/25/49/66/1070254966.db2.gz SQQRIKKZTQTVSR-GOSISDBHSA-N 1 0 459.612 3.640 20 0 JHADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)ccc1C ZINC001307948320 1070254990 /nfs/dbraw/zinc/25/49/90/1070254990.db2.gz SQQRIKKZTQTVSR-SFHVURJKSA-N 1 0 459.612 3.640 20 0 JHADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC(=O)NCCc3ccc(C(C)(C)C)cc3)C2)ccn1 ZINC001307955094 1070257235 /nfs/dbraw/zinc/25/72/35/1070257235.db2.gz QXAUEWPNEVVUGM-VWLOTQADSA-N 1 0 452.643 3.643 20 0 JHADRO CCOCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1Cc1cc(Cl)ccc1OC ZINC001314399033 1070259387 /nfs/dbraw/zinc/25/93/87/1070259387.db2.gz RJVOVONHRMCTOC-PMACEKPBSA-N 1 0 491.080 3.520 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 ZINC001314399636 1070260186 /nfs/dbraw/zinc/26/01/86/1070260186.db2.gz XSSQLNYFPFUTEL-UHFFFAOYSA-N 1 0 466.634 3.515 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1 ZINC001313132111 1070262281 /nfs/dbraw/zinc/26/22/81/1070262281.db2.gz DGBYKYYMKOEURM-FXVJXKIMSA-N 1 0 477.580 3.705 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001314401313 1070262721 /nfs/dbraw/zinc/26/27/21/1070262721.db2.gz SRPXDKSSIQNIFT-RTBURBONSA-N 1 0 466.399 3.962 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)N2CCCC[C@H]2C[C@H](C)O)cc1 ZINC001313133551 1070263680 /nfs/dbraw/zinc/26/36/80/1070263680.db2.gz SRZZMSJEQLPYBX-IDCRYQTOSA-N 1 0 451.611 3.998 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@H](CO)c2ccc(F)cc2)cc1 ZINC001313134175 1070263705 /nfs/dbraw/zinc/26/37/05/1070263705.db2.gz ZFSOXZKTYZSKBA-DURWQBQJSA-N 1 0 477.580 3.878 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)N(CCCO)Cc2ccccn2)cc1 ZINC001313133901 1070263731 /nfs/dbraw/zinc/26/37/31/1070263731.db2.gz VPMUVAXKJZDUGX-RRPNLBNLSA-N 1 0 474.605 3.652 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001313135088 1070264375 /nfs/dbraw/zinc/26/43/75/1070264375.db2.gz CMLAKQJKNFAAGZ-IYCJUYGXSA-N 1 0 456.631 3.843 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001313135957 1070264897 /nfs/dbraw/zinc/26/48/97/1070264897.db2.gz IZIVYGHRTOTVAW-MZEQIWSPSA-N 1 0 456.631 3.940 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314404276 1070267061 /nfs/dbraw/zinc/26/70/61/1070267061.db2.gz QKYUJWLSYUVESG-PZJWPPBQSA-N 1 0 459.978 3.942 20 0 JHADRO COc1ccc(N=c2scc(CN3CC[N@H+](C)[C@H](CO)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001307986344 1070271045 /nfs/dbraw/zinc/27/10/45/1070271045.db2.gz DYKFOVVOOPPJRA-UGKGYDQZSA-N 1 0 452.624 3.508 20 0 JHADRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001307993899 1070273321 /nfs/dbraw/zinc/27/33/21/1070273321.db2.gz WCDZEZGBRQJYBE-OFNKIYASSA-N 1 0 466.925 3.751 20 0 JHADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)cc1OC ZINC001308000325 1070275257 /nfs/dbraw/zinc/27/52/57/1070275257.db2.gz QEPJCHAEVQEPHC-VQTJNVASSA-N 1 0 450.938 3.873 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001314410312 1070276240 /nfs/dbraw/zinc/27/62/40/1070276240.db2.gz YJNFAJKPTHVPJD-DENIHFKCSA-N 1 0 478.037 3.547 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c2ccccc2)cc1 ZINC001308008192 1070277620 /nfs/dbraw/zinc/27/76/20/1070277620.db2.gz ZTTSOTYGJJAMEQ-ZCYQVOJMSA-N 1 0 458.624 3.675 20 0 JHADRO Cc1ccc(CN2CCO[C@@H](CNC(=O)NCCc3sccc3Br)C2)cc1 ZINC001313170310 1070278750 /nfs/dbraw/zinc/27/87/50/1070278750.db2.gz XRKKFGVYYGQQJU-KRWDZBQOSA-N 1 0 452.418 3.562 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@H]1c1ccc(F)cc1F ZINC001313170841 1070279900 /nfs/dbraw/zinc/27/99/00/1070279900.db2.gz KEKSXRUSLVVZJR-ACIOBRDBSA-N 1 0 471.548 3.918 20 0 JHADRO COc1ccc([C@@H]2CN([C@H](C)c3nnnn3-c3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308013973 1070279872 /nfs/dbraw/zinc/27/98/72/1070279872.db2.gz GZTJLKNMJNIURB-VOQZNFBZSA-N 1 0 464.570 3.725 20 0 JHADRO Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)NC4CCC(C)([NH+](C)C)CC4)CC3)n2)cc1 ZINC001313180333 1070284250 /nfs/dbraw/zinc/28/42/50/1070284250.db2.gz PMPNQKHTEPNZQA-PEJQNEDZSA-N 1 0 454.619 3.696 20 0 JHADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001308027960 1070284461 /nfs/dbraw/zinc/28/44/61/1070284461.db2.gz MPMUTRCPBIAMFU-QZTJIDSGSA-N 1 0 459.534 3.595 20 0 JHADRO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001308028008 1070285471 /nfs/dbraw/zinc/28/54/71/1070285471.db2.gz NQPSCAVQAHTQTB-BKMJKUGQSA-N 1 0 450.627 3.837 20 0 JHADRO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001313177909 1070282908 /nfs/dbraw/zinc/28/29/08/1070282908.db2.gz BHHVCRCQTBRVEK-KKYITRMCSA-N 1 0 455.624 3.684 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001314420768 1070292022 /nfs/dbraw/zinc/29/20/22/1070292022.db2.gz WOOBIBWYJDUGOK-PZJWPPBQSA-N 1 0 489.064 3.599 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001314421561 1070294070 /nfs/dbraw/zinc/29/40/70/1070294070.db2.gz VCSLFCRGHNTAGW-SLFFLAALSA-N 1 0 477.053 3.746 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001314421836 1070294843 /nfs/dbraw/zinc/29/48/43/1070294843.db2.gz QPVYQIXNPVWFNT-RDPSFJRHSA-N 1 0 464.614 3.905 20 0 JHADRO C[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1cccc(OC(F)(F)F)c1 ZINC001308055751 1070295808 /nfs/dbraw/zinc/29/58/08/1070295808.db2.gz FXWNAEJTEDMZTR-NSHDSACASA-N 1 0 450.866 3.931 20 0 JHADRO C[C@@H](NC(=O)NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001313217836 1070296139 /nfs/dbraw/zinc/29/61/39/1070296139.db2.gz DMTWRVWCRAAHHB-VLIAUNLRSA-N 1 0 452.933 3.844 20 0 JHADRO C[C@@H](NC(=O)NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC001313217831 1070296311 /nfs/dbraw/zinc/29/63/11/1070296311.db2.gz DMTWRVWCRAAHHB-JLTOFOAXSA-N 1 0 452.933 3.844 20 0 JHADRO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC001308062904 1070298358 /nfs/dbraw/zinc/29/83/58/1070298358.db2.gz XXTYPIPKRYUZCG-UEVCKROQSA-N 1 0 458.002 3.946 20 0 JHADRO CSc1ccc(OC[C@@H](O)C[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)cc1 ZINC001308065533 1070299656 /nfs/dbraw/zinc/29/96/56/1070299656.db2.gz IVSVWIXDIXPFQJ-SFHVURJKSA-N 1 0 458.559 3.687 20 0 JHADRO C[C@H]1CN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCOCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001313263850 1070309525 /nfs/dbraw/zinc/30/95/25/1070309525.db2.gz ZTVMZXRRDYZINJ-UNMCSNQZSA-N 1 0 459.631 3.677 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCCCC2)C1 ZINC001314429441 1070310720 /nfs/dbraw/zinc/31/07/20/1070310720.db2.gz LIXCIJXJOWKIAL-JOCHJYFZSA-N 1 0 468.646 3.886 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@H](C[NH+]2CCC(c3nccc(C)n3)CC2)c2ccccc2)cc1 ZINC001308105688 1070312727 /nfs/dbraw/zinc/31/27/27/1070312727.db2.gz DPZDUEIOCLIJTQ-XMMPIXPASA-N 1 0 450.608 3.993 20 0 JHADRO CC[C@@H]([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1cc(F)ccc1OC ZINC001308089783 1070308808 /nfs/dbraw/zinc/30/88/08/1070308808.db2.gz IWVBDGLZNVPGJY-GOSISDBHSA-N 1 0 455.361 3.926 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001314431426 1070314811 /nfs/dbraw/zinc/31/48/11/1070314811.db2.gz VXERUWKJTFHGJC-MBDNFAEBSA-N 1 0 490.693 3.644 20 0 JHADRO COc1cc(CN(C)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1OCc1ccccc1 ZINC001313289330 1070317449 /nfs/dbraw/zinc/31/74/49/1070317449.db2.gz QIIITERZBPFWED-YADHBBJMSA-N 1 0 455.624 3.995 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001314436542 1070323761 /nfs/dbraw/zinc/32/37/61/1070323761.db2.gz RZUZSIODDGWKGP-HOCLYGCPSA-N 1 0 468.465 3.972 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)C1 ZINC001314435752 1070322663 /nfs/dbraw/zinc/32/26/63/1070322663.db2.gz FLLJNNQMEIZFEP-FGZHOGPDSA-N 1 0 492.709 3.986 20 0 JHADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1)c1ccc(OC(F)(F)F)cc1 ZINC001308125518 1070322527 /nfs/dbraw/zinc/32/25/27/1070322527.db2.gz VQYIXYROOVZBCT-CVEARBPZSA-N 1 0 459.509 3.999 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+]([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)C[C@@H]2C1 ZINC001308128729 1070324416 /nfs/dbraw/zinc/32/44/16/1070324416.db2.gz RCNJNVAPQHMRGU-UWVAXJGDSA-N 1 0 465.541 3.972 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCSCC2)C1 ZINC001314438806 1070326231 /nfs/dbraw/zinc/32/62/31/1070326231.db2.gz WKTCSLGTXWPQLE-QGZVFWFLSA-N 1 0 480.476 3.619 20 0 JHADRO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)[C@H]1C ZINC001308156420 1070330650 /nfs/dbraw/zinc/33/06/50/1070330650.db2.gz OFLXUDREOQKDSV-FLFXDLLNSA-N 1 0 458.599 3.641 20 0 JHADRO COc1ccc(CC[NH2+]Cc2ccc(Br)cc2SCCS(C)(=O)=O)cc1 ZINC001308182539 1070338409 /nfs/dbraw/zinc/33/84/09/1070338409.db2.gz YSUSODZSGJASOL-UHFFFAOYSA-N 1 0 458.443 3.927 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]CC(=O)NCc3ccc(F)cc3C(F)(F)F)CCC[C@@H]12 ZINC001308178634 1070337231 /nfs/dbraw/zinc/33/72/31/1070337231.db2.gz WLGBSXHKQUWXCA-UTKZUKDTSA-N 1 0 459.484 3.982 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@H](NC(=O)NCC[NH+]1CCCCC1)c1ccccc1O2 ZINC001313385771 1070343522 /nfs/dbraw/zinc/34/35/22/1070343522.db2.gz WPLZAUQSMXOKFA-CJFMBICVSA-N 1 0 458.603 3.675 20 0 JHADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCSC2(CC(C(=O)OC)C2)C1 ZINC001313385779 1070343595 /nfs/dbraw/zinc/34/35/95/1070343595.db2.gz JGGRXQWNFAFXPN-SSGNBPMWSA-N 1 0 459.656 3.757 20 0 JHADRO C[NH+]1CCN(C[C@@H](NCc2ccc(F)cc2I)c2ccccc2)CC1 ZINC001308243607 1070344650 /nfs/dbraw/zinc/34/46/50/1070344650.db2.gz ALYZATNBGVTVIV-HXUWFJFHSA-N 1 0 453.343 3.509 20 0 JHADRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC001308255844 1070346872 /nfs/dbraw/zinc/34/68/72/1070346872.db2.gz VIGHTAYKARJBQJ-AWEZNQCLSA-N 1 0 456.274 3.964 20 0 JHADRO CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]CC1(CCO)CCCC1 ZINC001308288097 1070352276 /nfs/dbraw/zinc/35/22/76/1070352276.db2.gz NMJMBJDKCPTRER-UHFFFAOYSA-N 1 0 450.464 3.618 20 0 JHADRO O=S(=O)(c1ccc(OCC[NH2+]C2CCN(CCc3ccccc3)CC2)cc1)C(F)(F)F ZINC001308334151 1070358620 /nfs/dbraw/zinc/35/86/20/1070358620.db2.gz UOPIQIPWJOGEHW-UHFFFAOYSA-N 1 0 456.530 3.656 20 0 JHADRO Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)N(C)C ZINC001308372750 1070363360 /nfs/dbraw/zinc/36/33/60/1070363360.db2.gz BKCNQYLXZWUTIG-QTEQDKRBSA-N 1 0 456.635 3.940 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001313446655 1070363666 /nfs/dbraw/zinc/36/36/66/1070363666.db2.gz DPHKTOOWNAOCFN-FQEVSTJZSA-N 1 0 490.599 3.726 20 0 JHADRO COc1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc(Br)c1OC(F)F ZINC001308384196 1070365227 /nfs/dbraw/zinc/36/52/27/1070365227.db2.gz FOZCTGZIWXRXGF-SUMWQHHRSA-N 1 0 450.320 3.716 20 0 JHADRO COc1cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)ccc1OCc1ccc(Br)cc1 ZINC001308386299 1070365978 /nfs/dbraw/zinc/36/59/78/1070365978.db2.gz YGWGRWWKUJARMB-MOPGFXCFSA-N 1 0 450.373 3.771 20 0 JHADRO O=C([C@@H](C[NH2+]Cc1ccc(-c2ccncc2)cc1F)Cc1cccc(F)c1)N1CCOCC1 ZINC001308394339 1070368016 /nfs/dbraw/zinc/36/80/16/1070368016.db2.gz LQDZZRUOEUKLLZ-HSZRJFAPSA-N 1 0 451.517 3.834 20 0 JHADRO CCOCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001314462154 1070369896 /nfs/dbraw/zinc/36/98/96/1070369896.db2.gz XFMONIANQATPCX-VSKRKVRLSA-N 1 0 490.693 3.788 20 0 JHADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cnc3c(C)cc(Br)cn23)s1 ZINC001308399013 1070369233 /nfs/dbraw/zinc/36/92/33/1070369233.db2.gz GVYHJUQZNIDTHH-NEPJUHHUSA-N 1 0 451.394 3.572 20 0 JHADRO COc1cc(C[NH2+]Cc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)c(SC)cc1OC ZINC001308404843 1070370917 /nfs/dbraw/zinc/37/09/17/1070370917.db2.gz HBTGTCBDHVJJQY-DEOSSOPVSA-N 1 0 455.580 3.940 20 0 JHADRO CCOc1c(OC)cc(C[NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)cc1OC ZINC001308405036 1070371141 /nfs/dbraw/zinc/37/11/41/1070371141.db2.gz LKZOCPLDFNYEKZ-VWLOTQADSA-N 1 0 453.539 3.617 20 0 JHADRO CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC001308403043 1070371313 /nfs/dbraw/zinc/37/13/13/1070371313.db2.gz ITRDANLUQSYMNG-SFHVURJKSA-N 1 0 451.995 3.560 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001313448895 1070372519 /nfs/dbraw/zinc/37/25/19/1070372519.db2.gz DGYYRAIYXZUBRZ-QFIPXVFZSA-N 1 0 461.614 3.906 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](CC)C1 ZINC001313448921 1070372678 /nfs/dbraw/zinc/37/26/78/1070372678.db2.gz PYXYGMFOSXEUMX-RXVVDRJESA-N 1 0 459.038 3.972 20 0 JHADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)o2)C1 ZINC001308417964 1070373111 /nfs/dbraw/zinc/37/31/11/1070373111.db2.gz TZVBQMBCLCZZMF-JLAWEPINSA-N 1 0 454.633 3.531 20 0 JHADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)o2)C1 ZINC001308417967 1070373129 /nfs/dbraw/zinc/37/31/29/1070373129.db2.gz TZVBQMBCLCZZMF-XBMUEBEBSA-N 1 0 454.633 3.531 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313449158 1070373999 /nfs/dbraw/zinc/37/39/99/1070373999.db2.gz VPVDVNCMHAVEHC-ZCNNSNEGSA-N 1 0 488.608 3.709 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313449939 1070376142 /nfs/dbraw/zinc/37/61/42/1070376142.db2.gz ZVUUQGMPTBHQPK-AEFFLSMTSA-N 1 0 485.986 3.941 20 0 JHADRO CCOCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001314466043 1070376732 /nfs/dbraw/zinc/37/67/32/1070376732.db2.gz HHFLNLIUQWWXJM-INIZCTEOSA-N 1 0 450.425 3.971 20 0 JHADRO CNC(=O)[C@@H](C[NH2+]Cc1nc(C)c(Br)s1)Cc1ccc(C(F)(F)F)cc1 ZINC001308454558 1070377271 /nfs/dbraw/zinc/37/72/71/1070377271.db2.gz ICVRLCBCUHVBAW-GFCCVEGCSA-N 1 0 450.324 3.927 20 0 JHADRO FC1(F)Oc2ccc(CC[NH2+]Cc3ccc(OCCN4CCOCC4)c(Cl)c3)cc2O1 ZINC001308451868 1070377374 /nfs/dbraw/zinc/37/73/74/1070377374.db2.gz QCVYTVOWOVKQOG-UHFFFAOYSA-N 1 0 454.901 3.705 20 0 JHADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC001308477124 1070379581 /nfs/dbraw/zinc/37/95/81/1070379581.db2.gz FGAUBXXAMQCMSQ-UHFFFAOYSA-N 1 0 459.310 3.904 20 0 JHADRO CCOCCN(C)c1nnc(-c2c[nH]c3ccccc32)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314469117 1070379767 /nfs/dbraw/zinc/37/97/67/1070379767.db2.gz 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CCOCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C(F)(F)F)C[C@H]1CC ZINC001314495190 1070412816 /nfs/dbraw/zinc/41/28/16/1070412816.db2.gz DFLRVTPBTPZELV-HXUWFJFHSA-N 1 0 491.562 3.683 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001313461115 1070414271 /nfs/dbraw/zinc/41/42/71/1070414271.db2.gz URTBFIQXJHIBIG-HBMCJLEFSA-N 1 0 486.636 3.784 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCSC2)C[C@@H]1CC ZINC001314496920 1070419826 /nfs/dbraw/zinc/41/98/26/1070419826.db2.gz NVZFGQSSRONVGD-CTNGQTDRSA-N 1 0 459.660 3.644 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCC(OC)CC2)C[C@H]1CC ZINC001314497707 1070421405 /nfs/dbraw/zinc/42/14/05/1070421405.db2.gz FGVSQQVWFPQOPG-KRLBEQFCSA-N 1 0 463.667 3.662 20 0 JHADRO CN(C)[C@@H](C[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC001308702792 1070421824 /nfs/dbraw/zinc/42/18/24/1070421824.db2.gz FXBMJVCVBQCZJP-FQEVSTJZSA-N 1 0 458.569 3.887 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)OCC)c2ccccc2c1=O ZINC001313462399 1070417915 /nfs/dbraw/zinc/41/79/15/1070417915.db2.gz VWYJSTIUHYAOHN-UHFFFAOYSA-N 1 0 495.672 3.801 20 0 JHADRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC001308717690 1070424324 /nfs/dbraw/zinc/42/43/24/1070424324.db2.gz JYHZKPBAVYNUSN-AWEZNQCLSA-N 1 0 450.461 3.878 20 0 JHADRO COCO[C@@H](C)c1cc(F)c(CN2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Br ZINC001308718619 1070425014 /nfs/dbraw/zinc/42/50/14/1070425014.db2.gz CLRZGQIGOVVHMB-DLBZAZTESA-N 1 0 459.400 3.814 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CCCC3)n2CC2(C(=O)N(C)C)CCCC2)C[C@@H]1CC ZINC001314500151 1070429747 /nfs/dbraw/zinc/42/97/47/1070429747.db2.gz SYCNVWBWFVUIBX-QFIPXVFZSA-N 1 0 474.694 3.521 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CCC3)n2Cc2cccc(C(F)(F)F)n2)C[C@@H]1CC ZINC001314500429 1070431580 /nfs/dbraw/zinc/43/15/80/1070431580.db2.gz UVIJCHNNVRIUSD-IBGZPJMESA-N 1 0 466.552 3.945 20 0 JHADRO 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CCOCCOc1cc(C)ccc1Cn1c(N2CC[NH+](CC3CC3)CC2)nnc1C(C)(C)C ZINC001314502312 1070437503 /nfs/dbraw/zinc/43/75/03/1070437503.db2.gz YJDHZDNOTCGZDL-UHFFFAOYSA-N 1 0 455.647 3.880 20 0 JHADRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001308812005 1070442171 /nfs/dbraw/zinc/44/21/71/1070442171.db2.gz SETXNUSKFQPDQI-UHFFFAOYSA-N 1 0 459.612 3.568 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2cc(C3CN(C(=O)OC(C)(C)C)C3)no2)C1 ZINC001308820341 1070442582 /nfs/dbraw/zinc/44/25/82/1070442582.db2.gz JWBKFNUACOCRBO-NVXWUHKLSA-N 1 0 450.580 3.792 20 0 JHADRO CCOC(=O)c1[nH]c(C)c(C[N@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)OC)C2)c1C ZINC001308828416 1070444193 /nfs/dbraw/zinc/44/41/93/1070444193.db2.gz QKQGHWIHORMVSY-RBUKOAKNSA-N 1 0 463.372 3.959 20 0 JHADRO CNC(=O)[C@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)Cc1ccc(C(F)(F)F)cc1 ZINC001308850007 1070448498 /nfs/dbraw/zinc/44/84/98/1070448498.db2.gz ZAWHKPPVODANJP-HFCFLWKCSA-N 1 0 457.537 3.893 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC001313467912 1070446084 /nfs/dbraw/zinc/44/60/84/1070446084.db2.gz GWTXTHDPQRACLO-OAQYLSRUSA-N 1 0 456.635 3.964 20 0 JHADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)cnn1C ZINC001308842176 1070446796 /nfs/dbraw/zinc/44/67/96/1070446796.db2.gz ANQGRHDJABZFEE-BKMJKUGQSA-N 1 0 455.647 3.666 20 0 JHADRO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC001308848995 1070448348 /nfs/dbraw/zinc/44/83/48/1070448348.db2.gz KVSWFJFLSKPKFN-VQTJNVASSA-N 1 0 454.571 3.975 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C[C@@H]1c1ccccc1 ZINC001308868605 1070451664 /nfs/dbraw/zinc/45/16/64/1070451664.db2.gz QALIUCAIBFPFKU-DOIPELPJSA-N 1 0 451.633 3.577 20 0 JHADRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc(OCC(N)=O)cc2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC001308872840 1070452195 /nfs/dbraw/zinc/45/21/95/1070452195.db2.gz BWRFNTHOICBCJO-SFHVURJKSA-N 1 0 452.576 3.515 20 0 JHADRO 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C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)c3ncccc3Br)cc2)C1 ZINC001309063068 1070516427 /nfs/dbraw/zinc/51/64/27/1070516427.db2.gz FGCDQZJMFJAAID-IYBDPMFKSA-N 1 0 452.418 3.801 20 0 JHADRO CCCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001313496776 1070517525 /nfs/dbraw/zinc/51/75/25/1070517525.db2.gz MQGQGDUVWFNJSD-UHFFFAOYSA-N 1 0 466.674 3.682 20 0 JHADRO CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314528512 1070520925 /nfs/dbraw/zinc/52/09/25/1070520925.db2.gz MHBFCTDKEOOSRY-GOSISDBHSA-N 1 0 498.093 3.817 20 0 JHADRO CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001309083338 1070528666 /nfs/dbraw/zinc/52/86/66/1070528666.db2.gz MWNAAJDZGHYXKJ-UHFFFAOYSA-N 1 0 450.476 3.809 20 0 JHADRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cc(F)ccc1OCCOC ZINC001309087475 1070531341 /nfs/dbraw/zinc/53/13/41/1070531341.db2.gz KEGXXOFDOUJDDP-GHTZIAJQSA-N 1 0 450.576 3.697 20 0 JHADRO 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Cc1ccc(NC(=O)Nc2cccc3c2CCN(S(=O)(=O)CCC[NH+]2CCCC2)C3)cc1 ZINC001309152392 1070570990 /nfs/dbraw/zinc/57/09/90/1070570990.db2.gz DYPDTCIXTIDNIL-UHFFFAOYSA-N 1 0 456.612 3.813 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2C[C@@H]2CC[N@H+](CCC)C2)cc1OC ZINC001313513721 1070569422 /nfs/dbraw/zinc/56/94/22/1070569422.db2.gz OBCHXILEIBHAAM-VQTJNVASSA-N 1 0 457.619 3.700 20 0 JHADRO CC[S@](=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314565191 1070569617 /nfs/dbraw/zinc/56/96/17/1070569617.db2.gz ZWFUKPKFXVDJKD-KTBRYMIGSA-N 1 0 455.628 3.716 20 0 JHADRO CC[S@@](=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001314565354 1070570212 /nfs/dbraw/zinc/57/02/12/1070570212.db2.gz QDTRGZIUQBHFEG-BJLXPSRBSA-N 1 0 494.503 3.787 20 0 JHADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cnc1C(F)F ZINC001309155683 1070573673 /nfs/dbraw/zinc/57/36/73/1070573673.db2.gz DBCFMCSGDLSAHU-MRXNPFEDSA-N 1 0 459.559 3.519 20 0 JHADRO CCCOc1cccc(CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001313515216 1070573112 /nfs/dbraw/zinc/57/31/12/1070573112.db2.gz IBLNIJPTCQICJO-DEOSSOPVSA-N 1 0 496.700 3.641 20 0 JHADRO CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3cccnc3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001314581844 1070594091 /nfs/dbraw/zinc/59/40/91/1070594091.db2.gz ISAROSLLIGSKPB-IRXDYDNUSA-N 1 0 456.620 3.658 20 0 JHADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)C1 ZINC001309182362 1070589698 /nfs/dbraw/zinc/58/96/98/1070589698.db2.gz MWXLCZKMGRKGPU-CQSZACIVSA-N 1 0 450.523 3.671 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001313523870 1070594694 /nfs/dbraw/zinc/59/46/94/1070594694.db2.gz BXRJUDSUSSUYFO-JOCHJYFZSA-N 1 0 472.703 3.877 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001313522229 1070591391 /nfs/dbraw/zinc/59/13/91/1070591391.db2.gz GKAJGERCCPYSIH-CQOQZXRMSA-N 1 0 470.662 3.549 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[NH+]2CCCC2)CC1 ZINC001313522629 1070592415 /nfs/dbraw/zinc/59/24/15/1070592415.db2.gz WOJPVDDXIZUMBE-QFIPXVFZSA-N 1 0 489.686 3.620 20 0 JHADRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001309192622 1070595698 /nfs/dbraw/zinc/59/56/98/1070595698.db2.gz FMHXSPRXLYKRCW-SFHVURJKSA-N 1 0 451.633 3.531 20 0 JHADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@H](C)CC2(C)OCCO2)cc1 ZINC001309214467 1070613783 /nfs/dbraw/zinc/61/37/83/1070613783.db2.gz IKDOLLOJXVXUGQ-IEZKXTBUSA-N 1 0 472.651 3.672 20 0 JHADRO Cc1nccn1CCCCNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309218081 1070616688 /nfs/dbraw/zinc/61/66/88/1070616688.db2.gz IEFZFYHKOPASHF-LOSJGSFVSA-N 1 0 470.614 3.698 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314590119 1070617775 /nfs/dbraw/zinc/61/77/75/1070617775.db2.gz WOAHCIIXUNCTSU-WOJBJXKFSA-N 1 0 462.708 3.747 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001314593796 1070629571 /nfs/dbraw/zinc/62/95/71/1070629571.db2.gz GZBMAJFDNCQKLI-VLCRHTCISA-N 1 0 491.775 3.770 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001314593764 1070629607 /nfs/dbraw/zinc/62/96/07/1070629607.db2.gz ZOZRLZBULLUXIN-RBUKOAKNSA-N 1 0 457.648 3.522 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccn3C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001314601435 1070653016 /nfs/dbraw/zinc/65/30/16/1070653016.db2.gz UGASLVZCTBWQGY-PCCBWWKXSA-N 1 0 460.692 3.895 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(CC(C)C)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001314603712 1070658508 /nfs/dbraw/zinc/65/85/08/1070658508.db2.gz MLYUBJLHYCSXGF-VXKWHMMOSA-N 1 0 450.741 3.862 20 0 JHADRO CCSCC[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314605634 1070662592 /nfs/dbraw/zinc/66/25/92/1070662592.db2.gz BQHKAESUJRRHMZ-IIBYNOLFSA-N 1 0 482.492 3.742 20 0 JHADRO CCSCC[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314605633 1070662776 /nfs/dbraw/zinc/66/27/76/1070662776.db2.gz BQHKAESUJRRHMZ-IERDGZPVSA-N 1 0 482.492 3.742 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313549166 1070664260 /nfs/dbraw/zinc/66/42/60/1070664260.db2.gz PFHISUNAUNWTJU-WOJBJXKFSA-N 1 0 464.655 3.696 20 0 JHADRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c1 ZINC001309280764 1070665989 /nfs/dbraw/zinc/66/59/89/1070665989.db2.gz WGKQGLPBRNJQJY-UHFFFAOYSA-N 1 0 455.624 3.622 20 0 JHADRO CCSCC[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001314610208 1070672985 /nfs/dbraw/zinc/67/29/85/1070672985.db2.gz PEOQJTJKSHSXNV-MOPGFXCFSA-N 1 0 480.748 3.559 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CCCC3)C2)c1 ZINC001313572317 1070686805 /nfs/dbraw/zinc/68/68/05/1070686805.db2.gz LDJHOFUHKPUNEN-FQEVSTJZSA-N 1 0 488.702 3.549 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CCCC3)C2)c1 ZINC001313572318 1070686838 /nfs/dbraw/zinc/68/68/38/1070686838.db2.gz LDJHOFUHKPUNEN-HXUWFJFHSA-N 1 0 488.702 3.549 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)c1 ZINC001313573198 1070687691 /nfs/dbraw/zinc/68/76/91/1070687691.db2.gz CXRHGHYBSVNUCC-KNQAVFIVSA-N 1 0 496.681 3.631 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C(C)C)C2)c1 ZINC001313575831 1070691243 /nfs/dbraw/zinc/69/12/43/1070691243.db2.gz SQLFIGWMAUUBKI-QFIPXVFZSA-N 1 0 496.681 3.631 20 0 JHADRO CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313580852 1070700381 /nfs/dbraw/zinc/70/03/81/1070700381.db2.gz YJBZFZBDHSEDQU-PKOBYXMFSA-N 1 0 498.093 3.673 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN([C@@H](C)c3nc(C)no3)CC2)c1 ZINC001313575855 1070691832 /nfs/dbraw/zinc/69/18/32/1070691832.db2.gz ULFWYZIZIVWAKW-FQEVSTJZSA-N 1 0 494.688 3.941 20 0 JHADRO CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313580848 1070700456 /nfs/dbraw/zinc/70/04/56/1070700456.db2.gz YJBZFZBDHSEDQU-HKUYNNGSSA-N 1 0 498.093 3.673 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(N3C[C@@H](C)OC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001313576241 1070692739 /nfs/dbraw/zinc/69/27/39/1070692739.db2.gz XDFAPWPYMURQMF-JIPXPUAJSA-N 1 0 485.673 3.822 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](C(C)C)C2)c1 ZINC001313576623 1070693283 /nfs/dbraw/zinc/69/32/83/1070693283.db2.gz YMQDXKFPQQTBRB-HSZRJFAPSA-N 1 0 452.647 3.773 20 0 JHADRO CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1([NH+](C)C)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313579548 1070699161 /nfs/dbraw/zinc/69/91/61/1070699161.db2.gz MBVRAUNMHONJQU-HKUYNNGSSA-N 1 0 496.077 3.569 20 0 JHADRO CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+]2CCCC2)CCOCC1)C(C)C ZINC001313581464 1070701511 /nfs/dbraw/zinc/70/15/11/1070701511.db2.gz BDVCYCGRCUXACS-UHFFFAOYSA-N 1 0 465.440 3.915 20 0 JHADRO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC001313581711 1070701827 /nfs/dbraw/zinc/70/18/27/1070701827.db2.gz JGKPFBKZWJDUPM-LJQANCHMSA-N 1 0 488.702 3.695 20 0 JHADRO CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001313586973 1070711951 /nfs/dbraw/zinc/71/19/51/1070711951.db2.gz ZFMRLKAQLKZCOZ-KNQAVFIVSA-N 1 0 475.703 3.986 20 0 JHADRO CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC001313583684 1070706775 /nfs/dbraw/zinc/70/67/75/1070706775.db2.gz IQPGDFMERNIERI-QZTJIDSGSA-N 1 0 457.619 3.839 20 0 JHADRO CN(C)C(=O)C1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)CCCC1 ZINC001314625550 1070713495 /nfs/dbraw/zinc/71/34/95/1070713495.db2.gz HPBRKTRJNIGLOL-NHCUHLMSSA-N 1 0 488.721 3.766 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001313587677 1070714275 /nfs/dbraw/zinc/71/42/75/1070714275.db2.gz LJGOUUFEPIKIII-NQIIRXRSSA-N 1 0 480.078 3.732 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1[N@H+](C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313588232 1070715428 /nfs/dbraw/zinc/71/54/28/1070715428.db2.gz RWEGGQAPRQWHRA-PXNSSMCTSA-N 1 0 498.068 3.871 20 0 JHADRO C[C@@H]1C[NH+](CCOc2ccc(CCNS(=O)(=O)Cc3ccc(F)cc3F)cc2)C[C@H]1C ZINC001309355694 1070718447 /nfs/dbraw/zinc/71/84/47/1070718447.db2.gz JCJCCLWIMXJAKE-QZTJIDSGSA-N 1 0 452.567 3.594 20 0 JHADRO C[C@@H]1C[NH+](CCOc2ccc(CCNS(=O)(=O)c3cc(Cl)ccc3F)cc2)C[C@H]1C ZINC001309355994 1070718517 /nfs/dbraw/zinc/71/85/17/1070718517.db2.gz LHJXQBHZJIHUNZ-IAGOWNOFSA-N 1 0 454.995 3.967 20 0 JHADRO C[C@@H]1C[NH+](CCOc2ccc(CCNS(=O)(=O)c3cccc4scnc43)cc2)C[C@H]1C ZINC001309356715 1070719534 /nfs/dbraw/zinc/71/95/34/1070719534.db2.gz OMMKDDIGRBOGGN-QZTJIDSGSA-N 1 0 459.637 3.784 20 0 JHADRO CCN(c1nnc(-c2ccccc2Cl)n1CC[C@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313592704 1070719923 /nfs/dbraw/zinc/71/99/23/1070719923.db2.gz UNGNOEYCQLWCGD-RBUKOAKNSA-N 1 0 480.078 3.876 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314627465 1070720530 /nfs/dbraw/zinc/72/05/30/1070720530.db2.gz ARJIPGOWYDDIMK-WOJBJXKFSA-N 1 0 476.666 3.697 20 0 JHADRO CCN(c1nnc(C2CCCC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001313599526 1070723981 /nfs/dbraw/zinc/72/39/81/1070723981.db2.gz LTKRMYJWFRIVFB-REWPJTCUSA-N 1 0 473.687 3.860 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(C2CCCC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001314630341 1070730361 /nfs/dbraw/zinc/73/03/61/1070730361.db2.gz XQWWSYHSQIKDGZ-YADHBBJMSA-N 1 0 474.694 3.662 20 0 JHADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)CC1 ZINC001309364343 1070726264 /nfs/dbraw/zinc/72/62/64/1070726264.db2.gz DRSNQUCASYOXOK-UHFFFAOYSA-N 1 0 454.851 3.826 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(CC2CCCC2)nnc1N(C)CC1CCCCC1 ZINC001314629141 1070726744 /nfs/dbraw/zinc/72/67/44/1070726744.db2.gz NHZPFCOGKRKOKB-QHCPKHFHSA-N 1 0 458.695 3.970 20 0 JHADRO CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H](C)[NH+]1CCCCC1)C(C)C ZINC001313604024 1070727621 /nfs/dbraw/zinc/72/76/21/1070727621.db2.gz ICORHSJPVSIZJC-NRFANRHFSA-N 1 0 454.667 3.951 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(Cc2c(F)cccc2F)nnc1N1CCCCCCC1 ZINC001314629649 1070728156 /nfs/dbraw/zinc/72/81/56/1070728156.db2.gz RABXHDIYJQESGX-QHCPKHFHSA-N 1 0 488.627 3.860 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCC1 ZINC001314630049 1070729168 /nfs/dbraw/zinc/72/91/68/1070729168.db2.gz VQINUZFPLREPFW-FQEVSTJZSA-N 1 0 463.001 3.669 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc(CCOc3ccccc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001314631207 1070732274 /nfs/dbraw/zinc/73/22/74/1070732274.db2.gz QQZHUZMIYFMCNI-UHFFFAOYSA-N 1 0 496.700 3.859 20 0 JHADRO CN(C)C(=O)CCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001314631649 1070733519 /nfs/dbraw/zinc/73/35/19/1070733519.db2.gz HYFKZDIAXIDJPO-SFHVURJKSA-N 1 0 489.462 3.641 20 0 JHADRO COC(=O)[C@H]1CCCCCN1S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309389173 1070740137 /nfs/dbraw/zinc/74/01/37/1070740137.db2.gz AKDXRNLNQSWNRZ-RBZQAINGSA-N 1 0 474.598 3.541 20 0 JHADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCCCC(=O)OC(C)C)cc1 ZINC001309382928 1070736531 /nfs/dbraw/zinc/73/65/31/1070736531.db2.gz KTDYWZYXQMYNLK-BJKOFHAPSA-N 1 0 458.624 3.614 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001309402383 1070748798 /nfs/dbraw/zinc/74/87/98/1070748798.db2.gz GYZOGARJAGKHFP-NHCUHLMSSA-N 1 0 451.633 3.533 20 0 JHADRO C[C@@H](CCNS(=O)(=O)c1cc(Br)cc(Br)c1)[NH+]1CCCCC1 ZINC001309393452 1070742294 /nfs/dbraw/zinc/74/22/94/1070742294.db2.gz IEZFSDRNDZOWNE-LBPRGKRZSA-N 1 0 454.228 3.754 20 0 JHADRO C[C@H](CCNS(=O)(=O)c1ccc(Br)cc1Br)[NH+]1CCCCC1 ZINC001309394415 1070743486 /nfs/dbraw/zinc/74/34/86/1070743486.db2.gz XZLWORCIQVKKQM-GFCCVEGCSA-N 1 0 454.228 3.754 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314647692 1070750574 /nfs/dbraw/zinc/75/05/74/1070750574.db2.gz BVLXNYGYRUYQFN-TZIWHRDSSA-N 1 0 483.592 3.819 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1cccc(F)c1 ZINC001314648725 1070753108 /nfs/dbraw/zinc/75/31/08/1070753108.db2.gz ODSVITPSGNYRGS-JTHBVZDNSA-N 1 0 493.631 3.913 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314648749 1070753148 /nfs/dbraw/zinc/75/31/48/1070753148.db2.gz OUWHZDIAAGMVFP-MRXNPFEDSA-N 1 0 468.549 3.542 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001314649849 1070757539 /nfs/dbraw/zinc/75/75/39/1070757539.db2.gz DYWRTXFGOLQGGJ-CEMLEFRQSA-N 1 0 490.693 3.644 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(N)=O)CC1)c1ccsc1 ZINC001314653656 1070766431 /nfs/dbraw/zinc/76/64/31/1070766431.db2.gz DGWHGVBKLYDMLH-NRFANRHFSA-N 1 0 488.608 3.603 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001313629139 1070760017 /nfs/dbraw/zinc/76/00/17/1070760017.db2.gz UTFMLVXROGRQDP-OAQYLSRUSA-N 1 0 457.619 3.555 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](c1ccco1)[NH+](C)C ZINC001313630062 1070761022 /nfs/dbraw/zinc/76/10/22/1070761022.db2.gz KPUDGRGSYNKYOK-HXUWFJFHSA-N 1 0 463.586 3.570 20 0 JHADRO Cn1cc(Br)cc1-c1nnc(N2CCOC(C)(C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001314651918 1070762041 /nfs/dbraw/zinc/76/20/41/1070762041.db2.gz CKNDISAUAASKRH-UHFFFAOYSA-N 1 0 465.440 3.536 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCCCC2)CCSC1 ZINC001314651992 1070762530 /nfs/dbraw/zinc/76/25/30/1070762530.db2.gz DAYICNNPEVOMQB-LJQANCHMSA-N 1 0 453.454 3.853 20 0 JHADRO C[NH+](C)[C@H](Cn1c(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)nnc1C(C)(C)C)C1CC1 ZINC001314652519 1070763537 /nfs/dbraw/zinc/76/35/37/1070763537.db2.gz IMTFNRHGXKSNPS-OAQYLSRUSA-N 1 0 473.065 3.922 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccc3F)nnc2N2CCC[C@H](OC(C)(C)C)C2)CCOCC1 ZINC001314653026 1070764804 /nfs/dbraw/zinc/76/48/04/1070764804.db2.gz JWZBHWBYVJAKFH-IBGZPJMESA-N 1 0 459.610 3.979 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCOCC2)CCCCC1 ZINC001314653401 1070765966 /nfs/dbraw/zinc/76/59/66/1070765966.db2.gz NVQZOZPPZXOJRB-UHFFFAOYSA-N 1 0 466.399 3.948 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1([NH+](C)C)CCCC1 ZINC001313634238 1070766253 /nfs/dbraw/zinc/76/62/53/1070766253.db2.gz HOLAYVUESCXVAB-XMMPIXPASA-N 1 0 479.673 3.882 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001313634809 1070768139 /nfs/dbraw/zinc/76/81/39/1070768139.db2.gz BKNQNZBFAZGUHV-VXKWHMMOSA-N 1 0 496.681 3.747 20 0 JHADRO Cn1cc(Nc2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)cn1 ZINC001314654476 1070768849 /nfs/dbraw/zinc/76/88/49/1070768849.db2.gz SFLOYUUOOHBSJA-SLYNCCJLSA-N 1 0 498.607 3.968 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001313635341 1070769710 /nfs/dbraw/zinc/76/97/10/1070769710.db2.gz MRWJMDKGGNCVDN-FUCNBRFFSA-N 1 0 496.700 3.779 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccco1 ZINC001314654797 1070770175 /nfs/dbraw/zinc/77/01/75/1070770175.db2.gz HXKJPPOQHDOCEO-FGZHOGPDSA-N 1 0 493.656 3.539 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC001314654870 1070770903 /nfs/dbraw/zinc/77/09/03/1070770903.db2.gz ILAQRHSRIRMKCE-XZOQPEGZSA-N 1 0 460.711 3.678 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1cccs1 ZINC001314655782 1070773356 /nfs/dbraw/zinc/77/33/56/1070773356.db2.gz NEPQUHWWUVIGNQ-HXUWFJFHSA-N 1 0 497.669 3.685 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC001314656506 1070774936 /nfs/dbraw/zinc/77/49/36/1070774936.db2.gz ZDKVOFPYOBTFBD-UGKGYDQZSA-N 1 0 494.640 3.752 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3ccsc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001314657461 1070776902 /nfs/dbraw/zinc/77/69/02/1070776902.db2.gz CQLVJVIFENZKQA-LJQANCHMSA-N 1 0 474.675 3.908 20 0 JHADRO C[NH+](C)C1(Cn2c(COc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)CCOCC1 ZINC001314657390 1070776911 /nfs/dbraw/zinc/77/69/11/1070776911.db2.gz BEBGCLKGIDVHQN-UHFFFAOYSA-N 1 0 485.526 3.886 20 0 JHADRO C[NH+](C)C1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCSCC2)CCOCC1 ZINC001314657760 1070777174 /nfs/dbraw/zinc/77/71/74/1070777174.db2.gz FFUTXXWXBYMAOP-UHFFFAOYSA-N 1 0 468.092 3.888 20 0 JHADRO C[NH+](C)C1(Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCCC1 ZINC001314657834 1070777300 /nfs/dbraw/zinc/77/73/00/1070777300.db2.gz HMRZXFPTLQQWHI-UHFFFAOYSA-N 1 0 481.689 3.568 20 0 JHADRO C[NH+](C)C1(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCCCC1 ZINC001314657778 1070777327 /nfs/dbraw/zinc/77/73/27/1070777327.db2.gz FWJQYHRFQRIGLY-QHCPKHFHSA-N 1 0 466.674 3.810 20 0 JHADRO O=C(N[C@H]1CC[C@@H](CS(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1)OCc1ccccc1 ZINC001309448225 1070777389 /nfs/dbraw/zinc/77/73/89/1070777389.db2.gz KJEHPWHEAAMFOJ-GPXNEJASSA-N 1 0 477.671 3.798 20 0 JHADRO C[NH+](C)C1(Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCCC1 ZINC001314658322 1070779035 /nfs/dbraw/zinc/77/90/35/1070779035.db2.gz XZGHGYZTYKGMKK-UHFFFAOYSA-N 1 0 459.683 3.515 20 0 JHADRO C[NH+](C)C1(Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)CCOCC1 ZINC001314658355 1070779473 /nfs/dbraw/zinc/77/94/73/1070779473.db2.gz ZUEHMSHOYAAJCI-UHFFFAOYSA-N 1 0 452.441 3.611 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001313639073 1070781109 /nfs/dbraw/zinc/78/11/09/1070781109.db2.gz XFEYCXLZWGNHCK-QHCPKHFHSA-N 1 0 488.721 3.912 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(c2nnc(C3CC3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001313639973 1070783565 /nfs/dbraw/zinc/78/35/65/1070783565.db2.gz NIBUQQAJPHUCMF-UHFFFAOYSA-N 1 0 476.735 3.848 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc([C@H]2CCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001313637612 1070776549 /nfs/dbraw/zinc/77/65/49/1070776549.db2.gz KVJPHDFAGDWOEK-GOTSBHOMSA-N 1 0 455.647 3.772 20 0 JHADRO CN(C[C@H]1CCCO1)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)C[NH+](C)C ZINC001314662470 1070789474 /nfs/dbraw/zinc/78/94/74/1070789474.db2.gz FBJFGARJIMMITD-CQSZACIVSA-N 1 0 456.454 3.972 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 ZINC001314663387 1070791694 /nfs/dbraw/zinc/79/16/94/1070791694.db2.gz TZJSIGJLFLKXFF-OAQYLSRUSA-N 1 0 477.613 3.561 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2ccc(C)o2)n1CC1([NH+](C)C)CCOCC1 ZINC001313640554 1070785742 /nfs/dbraw/zinc/78/57/42/1070785742.db2.gz NZCOVGITWLEYHE-QFIPXVFZSA-N 1 0 467.614 3.826 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2cccnc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001313643147 1070792314 /nfs/dbraw/zinc/79/23/14/1070792314.db2.gz CPCQOYVWTFOQPL-UHFFFAOYSA-N 1 0 467.662 3.689 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cnccn2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001313641715 1070787914 /nfs/dbraw/zinc/78/79/14/1070787914.db2.gz YXFSUHZVYFDFRW-GOTSBHOMSA-N 1 0 477.638 3.968 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1CC(C)(C)C[NH+](C)C ZINC001314664854 1070795405 /nfs/dbraw/zinc/79/54/05/1070795405.db2.gz DNXLVPIIQXZWHK-UHFFFAOYSA-N 1 0 468.621 3.585 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(Cc2cccnc2)n1CC(C)(C)C[NH+](C)C ZINC001314665478 1070797274 /nfs/dbraw/zinc/79/72/74/1070797274.db2.gz HULMYVOFIHMECP-UHFFFAOYSA-N 1 0 467.565 3.963 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001314667494 1070801484 /nfs/dbraw/zinc/80/14/84/1070801484.db2.gz MRNRTCIFIWGIHF-XMMPIXPASA-N 1 0 488.558 3.980 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(COc2ccccc2F)n1CC(C)(C)C[NH+](C)C ZINC001314666811 1070800139 /nfs/dbraw/zinc/80/01/39/1070800139.db2.gz XQZAJHGNQPWQLA-UHFFFAOYSA-N 1 0 497.541 3.973 20 0 JHADRO CN(C[C@H]1CC=CCC1)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC(C)(C)C[NH+](C)C ZINC001314668146 1070802977 /nfs/dbraw/zinc/80/29/77/1070802977.db2.gz ORVDOIHRPDIIDP-IBGZPJMESA-N 1 0 463.630 3.572 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CCC3)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001314668203 1070803848 /nfs/dbraw/zinc/80/38/48/1070803848.db2.gz AMRDGVRIZBJEJY-QFIPXVFZSA-N 1 0 498.672 3.980 20 0 JHADRO CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001314668536 1070804692 /nfs/dbraw/zinc/80/46/92/1070804692.db2.gz JQKYOYMGKCEEKX-WXFUMESZSA-N 1 0 485.673 3.801 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001314668612 1070805091 /nfs/dbraw/zinc/80/50/91/1070805091.db2.gz SXHAPPJRDVTQRZ-FQEVSTJZSA-N 1 0 483.661 3.550 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CC3)n2Cc2ccccc2OCC[NH+](C)C)C1 ZINC001314668890 1070805956 /nfs/dbraw/zinc/80/59/56/1070805956.db2.gz SEWGXIGUNVGUSD-OAQYLSRUSA-N 1 0 484.645 3.590 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001314668875 1070806212 /nfs/dbraw/zinc/80/62/12/1070806212.db2.gz RRLVTSFKUOCMTP-XZOQPEGZSA-N 1 0 471.646 3.760 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001314670000 1070809401 /nfs/dbraw/zinc/80/94/01/1070809401.db2.gz MKDCZAIBPUUZIT-FQEVSTJZSA-N 1 0 493.071 3.875 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001314669124 1070806753 /nfs/dbraw/zinc/80/67/53/1070806753.db2.gz WRTGIOQMJAEHDH-NRFANRHFSA-N 1 0 470.568 3.734 20 0 JHADRO CN(CC1CC(F)C1)c1nnc(-c2ccc(Br)s2)n1CCOCC[NH+](C)C ZINC001314670688 1070811757 /nfs/dbraw/zinc/81/17/57/1070811757.db2.gz LJRHQBWUYGSNAF-UHFFFAOYSA-N 1 0 460.417 3.532 20 0 JHADRO CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCC[NH+](C)C)[C@H]1CCc2ccccc21 ZINC001314670548 1070811868 /nfs/dbraw/zinc/81/18/68/1070811868.db2.gz CCDNCPFHAPNEPO-XPWALMASSA-N 1 0 455.647 3.899 20 0 JHADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313648617 1070817909 /nfs/dbraw/zinc/81/79/09/1070817909.db2.gz SFOGOEQDZLEPGV-XMMPIXPASA-N 1 0 495.716 3.508 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001314671783 1070816331 /nfs/dbraw/zinc/81/63/31/1070816331.db2.gz WERGWVBRFCFDQC-OAHLLOKOSA-N 1 0 480.432 3.934 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c([C@H]3CCOC3)nnc2N2CC[C@H](C(C)(C)C)C2)cc1 ZINC001314672092 1070816940 /nfs/dbraw/zinc/81/69/40/1070816940.db2.gz POMRNYSMUWNXIA-VXKWHMMOSA-N 1 0 455.647 3.838 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CCc1cccc(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC001314676384 1070821729 /nfs/dbraw/zinc/82/17/29/1070821729.db2.gz FORJNRHPXUIXBZ-UHFFFAOYSA-N 1 0 453.610 3.755 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CCc1cccc(F)c1F)C1CC[NH+](CCn2cccn2)CC1 ZINC001314677137 1070823645 /nfs/dbraw/zinc/82/36/45/1070823645.db2.gz QPOYKMLVDGQVFW-UHFFFAOYSA-N 1 0 471.600 3.894 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CC[NH+]1CCCCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001314677401 1070824301 /nfs/dbraw/zinc/82/43/01/1070824301.db2.gz SNWJKMWYYXGOKN-UHFFFAOYSA-N 1 0 452.647 3.803 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001313651141 1070825454 /nfs/dbraw/zinc/82/54/54/1070825454.db2.gz CMQMYVMSROTHAV-UWJYYQICSA-N 1 0 499.566 3.512 20 0 JHADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@H]2CC(C)C)cc1 ZINC001309522516 1070826177 /nfs/dbraw/zinc/82/61/77/1070826177.db2.gz PKQPHTAJKRYBPV-XMMPIXPASA-N 1 0 457.640 3.999 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001313653377 1070832859 /nfs/dbraw/zinc/83/28/59/1070832859.db2.gz BYXTWQTVWOXRMR-QFIPXVFZSA-N 1 0 469.678 3.896 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001313655308 1070843635 /nfs/dbraw/zinc/84/36/35/1070843635.db2.gz UBNYPKPMPWENPM-UHFFFAOYSA-N 1 0 471.650 3.552 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001313655455 1070844521 /nfs/dbraw/zinc/84/45/21/1070844521.db2.gz NTGZZSKRMWMLHL-VWLOTQADSA-N 1 0 495.716 3.912 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1CC1(O)CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314694053 1070854761 /nfs/dbraw/zinc/85/47/61/1070854761.db2.gz LFTGELOGDTUYDT-JOCHJYFZSA-N 1 0 455.647 3.509 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001313656007 1070848039 /nfs/dbraw/zinc/84/80/39/1070848039.db2.gz CMZGLUQAQBWAEY-MRXNPFEDSA-N 1 0 489.466 3.884 20 0 JHADRO CN(c1nnc([C@H]2CCCCO2)n1CC[NH+]1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314690962 1070850378 /nfs/dbraw/zinc/85/03/78/1070850378.db2.gz ANKCBRZSENXXGO-OAQYLSRUSA-N 1 0 476.666 3.841 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001313657352 1070855497 /nfs/dbraw/zinc/85/54/97/1070855497.db2.gz QFFRGAUUTOSYLT-ROUUACIJSA-N 1 0 468.577 3.951 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1CC1([S@](C)=O)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314692363 1070853159 /nfs/dbraw/zinc/85/31/59/1070853159.db2.gz AGICNOHSHFAFAA-KTBRYMIGSA-N 1 0 457.688 3.879 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001313657103 1070853685 /nfs/dbraw/zinc/85/36/85/1070853685.db2.gz JFBPTZTZUZITTN-GHTZIAJQSA-N 1 0 461.676 3.596 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001313657053 1070853973 /nfs/dbraw/zinc/85/39/73/1070853973.db2.gz IGYLAEDZHQYAII-LHSJRXKWSA-N 1 0 497.869 3.793 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1C[C@H]1CCC[N@@H+]1CCCO)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314694720 1070856423 /nfs/dbraw/zinc/85/64/23/1070856423.db2.gz RJKVMQGQYSWGIT-OAQYLSRUSA-N 1 0 492.709 3.549 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001313659728 1070863494 /nfs/dbraw/zinc/86/34/94/1070863494.db2.gz LCRJUOXEUOJQEU-FGZHOGPDSA-N 1 0 477.657 3.660 20 0 JHADRO Cc1cccc(S(=O)(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c1F ZINC001309560081 1070856905 /nfs/dbraw/zinc/85/69/05/1070856905.db2.gz BONANKZNWSZGNW-UHFFFAOYSA-N 1 0 451.995 3.763 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001313657805 1070857228 /nfs/dbraw/zinc/85/72/28/1070857228.db2.gz VEVHAYNBYVXXJO-BVFVYWQFSA-N 1 0 499.635 3.773 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(Cn2cccn2)CC1 ZINC001313658482 1070859734 /nfs/dbraw/zinc/85/97/34/1070859734.db2.gz ZEWRADAQWSVANB-KRWDZBQOSA-N 1 0 489.466 3.879 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001313658672 1070860078 /nfs/dbraw/zinc/86/00/78/1070860078.db2.gz SVMJUERQTSTGFN-HZPDHXFCSA-N 1 0 493.479 3.932 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001313660232 1070865151 /nfs/dbraw/zinc/86/51/51/1070865151.db2.gz OYOOKZXHJHDWOH-FXAWDEMLSA-N 1 0 456.616 3.718 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313660258 1070865179 /nfs/dbraw/zinc/86/51/79/1070865179.db2.gz PFMBUUYONPSQMF-CLCXKQKWSA-N 1 0 469.508 3.560 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001313660422 1070865568 /nfs/dbraw/zinc/86/55/68/1070865568.db2.gz PYHQCBLOMFUPPG-HNNXBMFYSA-N 1 0 481.519 3.752 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001313660448 1070866080 /nfs/dbraw/zinc/86/60/80/1070866080.db2.gz QMGHNJFJRANMOD-PZJWPPBQSA-N 1 0 481.645 3.810 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313660580 1070866263 /nfs/dbraw/zinc/86/62/63/1070866263.db2.gz SYYFUMNNOXOGBM-AABGKKOBSA-N 1 0 473.666 3.753 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOCC2(CCC2)C1 ZINC001313660861 1070866901 /nfs/dbraw/zinc/86/69/01/1070866901.db2.gz UAYRVFKVNPJMDQ-LJQANCHMSA-N 1 0 457.619 3.700 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313661730 1070869100 /nfs/dbraw/zinc/86/91/00/1070869100.db2.gz YQEPSUMBZXFKTB-JXXFODFXSA-N 1 0 485.551 3.849 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001314708052 1070880665 /nfs/dbraw/zinc/88/06/65/1070880665.db2.gz FHMLSHYJYZJEOR-DBXWQHBBSA-N 1 0 474.675 3.625 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCCc2c1cnn2C)c1ccccc1 ZINC001313663801 1070874439 /nfs/dbraw/zinc/87/44/39/1070874439.db2.gz IACZHYYUWIJIFI-VWNXMTODSA-N 1 0 492.672 3.747 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1)c1ccccc1 ZINC001313665777 1070880950 /nfs/dbraw/zinc/88/09/50/1070880950.db2.gz UJMGCEVEQCZJMO-VWNXMTODSA-N 1 0 454.663 3.643 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1)c1ccccc1 ZINC001313665179 1070879172 /nfs/dbraw/zinc/87/91/72/1070879172.db2.gz PKGMLDKOPUQPDF-XMMPIXPASA-N 1 0 464.614 3.970 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001313665439 1070879860 /nfs/dbraw/zinc/87/98/60/1070879860.db2.gz CHGBDZAVNHMWKQ-PXNSSMCTSA-N 1 0 474.606 3.761 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2OC)CC1 ZINC001313665841 1070881778 /nfs/dbraw/zinc/88/17/78/1070881778.db2.gz SDSCTXIEVCFBOA-QPPBQGQZSA-N 1 0 470.662 3.581 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2cnn(C)c2)CC1)c1ccsc1 ZINC001313666165 1070883265 /nfs/dbraw/zinc/88/32/65/1070883265.db2.gz UMJJXTUEGYRBLD-JOCHJYFZSA-N 1 0 498.701 3.678 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(F)(F)C1 ZINC001313667855 1070890317 /nfs/dbraw/zinc/89/03/17/1070890317.db2.gz LXKXDDKTZLBGPD-ZACQAIPSSA-N 1 0 456.582 3.625 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314709209 1070884442 /nfs/dbraw/zinc/88/44/42/1070884442.db2.gz WWIIYDFLMVQNGB-QFIPXVFZSA-N 1 0 493.681 3.996 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CCc2ccccc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001313667820 1070890397 /nfs/dbraw/zinc/89/03/97/1070890397.db2.gz NGBUABXWFWJXOO-FQEVSTJZSA-N 1 0 466.596 3.868 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC001313667135 1070885779 /nfs/dbraw/zinc/88/57/79/1070885779.db2.gz JBUNRXXUFCZFSD-LJQANCHMSA-N 1 0 471.650 3.830 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001313666871 1070886172 /nfs/dbraw/zinc/88/61/72/1070886172.db2.gz VJFOTFVVUMKQES-YLJYHZDGSA-N 1 0 461.680 3.650 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1)c1ccco1 ZINC001313666884 1070886898 /nfs/dbraw/zinc/88/68/98/1070886898.db2.gz YJDXQMXZBXGQNH-QFIPXVFZSA-N 1 0 480.613 3.746 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc([C@H]2CCOC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314710060 1070887080 /nfs/dbraw/zinc/88/70/80/1070887080.db2.gz PCNNAKOMVRFDRL-LPHOPBHVSA-N 1 0 489.045 3.875 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001313667811 1070890112 /nfs/dbraw/zinc/89/01/12/1070890112.db2.gz NDJFYULZUQYNJK-YADHBBJMSA-N 1 0 466.634 3.637 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1c(F)cccc1Cl ZINC001313667780 1070890130 /nfs/dbraw/zinc/89/01/30/1070890130.db2.gz MOLPUTMGIQNVCE-MRXNPFEDSA-N 1 0 450.990 3.560 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001313667097 1070888285 /nfs/dbraw/zinc/88/82/85/1070888285.db2.gz IRNFYQXFCDOZOR-APWZRJJASA-N 1 0 486.107 3.577 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001313667282 1070888757 /nfs/dbraw/zinc/88/87/57/1070888757.db2.gz KNKVQVJNQINKST-HYBUGGRVSA-N 1 0 464.662 3.843 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001313667417 1070889022 /nfs/dbraw/zinc/88/90/22/1070889022.db2.gz XYBJBSHRBIQDGH-NJYVYQBISA-N 1 0 460.692 3.847 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001313668042 1070890861 /nfs/dbraw/zinc/89/08/61/1070890861.db2.gz NWHFVYMPVPDMFX-BKMJKUGQSA-N 1 0 465.646 3.622 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001313668158 1070891286 /nfs/dbraw/zinc/89/12/86/1070891286.db2.gz NLMRRYRZGPVBDS-FPOVZHCZSA-N 1 0 459.610 3.858 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001313668615 1070891927 /nfs/dbraw/zinc/89/19/27/1070891927.db2.gz RXGPUVRJLHIZFD-ANULTFPQSA-N 1 0 476.666 3.696 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001313668745 1070893644 /nfs/dbraw/zinc/89/36/44/1070893644.db2.gz QVTUATQDVVXIOH-BGWNEDDSSA-N 1 0 488.721 3.908 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(Cc2ccncc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314712365 1070896537 /nfs/dbraw/zinc/89/65/37/1070896537.db2.gz SHCGGLRMJLMKQQ-UHFFFAOYSA-N 1 0 497.594 3.739 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001313670117 1070897025 /nfs/dbraw/zinc/89/70/25/1070897025.db2.gz ZFKJLEPOACQCMP-QPPBQGQZSA-N 1 0 481.645 3.516 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1)c1ccccc1 ZINC001313670667 1070897388 /nfs/dbraw/zinc/89/73/88/1070897388.db2.gz BFTWDSAYAITDLQ-DENIHFKCSA-N 1 0 451.619 3.765 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1c(F)cccc1Cl ZINC001313667779 1070890478 /nfs/dbraw/zinc/89/04/78/1070890478.db2.gz MOLPUTMGIQNVCE-INIZCTEOSA-N 1 0 450.990 3.560 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCCN(C(C)=O)CC1)c1ccsc1 ZINC001313674069 1070910495 /nfs/dbraw/zinc/91/04/95/1070910495.db2.gz MLINXUIQWQTSEI-QFIPXVFZSA-N 1 0 467.643 3.543 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(CC(=O)NC)CC1)c1ccsc1 ZINC001313671617 1070900786 /nfs/dbraw/zinc/90/07/86/1070900786.db2.gz AUHDKLCCEJFSDL-JOCHJYFZSA-N 1 0 483.686 3.781 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CC1COC(C)(C)OC1)c1ccco1 ZINC001313672197 1070902194 /nfs/dbraw/zinc/90/21/94/1070902194.db2.gz FGCISYRFOGGCAZ-NRFANRHFSA-N 1 0 468.602 3.852 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(F)(F)CC1)c1ccsc1 ZINC001313672393 1070903385 /nfs/dbraw/zinc/90/33/85/1070903385.db2.gz NFQCZGCUIMMITO-SJORKVTESA-N 1 0 452.575 3.609 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H](COC)O[C@@H](C)C1)c1ccsc1 ZINC001313672671 1070904708 /nfs/dbraw/zinc/90/47/08/1070904708.db2.gz AFJPFXVJUXJDIC-OYNPSCLESA-N 1 0 463.648 3.514 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)OC)c1ccco1 ZINC001313673165 1070906379 /nfs/dbraw/zinc/90/63/79/1070906379.db2.gz JSSDUIYQNIMLIE-MRXNPFEDSA-N 1 0 451.369 3.720 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001314717144 1070908151 /nfs/dbraw/zinc/90/81/51/1070908151.db2.gz TZUCUISXCCVAJL-UHFFFAOYSA-N 1 0 473.565 3.612 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOCC1)c1ccccc1 ZINC001313673681 1070908460 /nfs/dbraw/zinc/90/84/60/1070908460.db2.gz GBDBCMKZUXQBOH-ZRBLBEILSA-N 1 0 498.672 3.969 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCN(CC(F)(F)C(F)F)CC1)c1ccsc1 ZINC001313673803 1070908629 /nfs/dbraw/zinc/90/86/29/1070908629.db2.gz LMFFIUUHKCLNGG-QGZVFWFLSA-N 1 0 462.561 3.754 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC001313673687 1070908692 /nfs/dbraw/zinc/90/86/92/1070908692.db2.gz KUYWTBAQSOGFNC-QUCCMNQESA-N 1 0 471.005 3.976 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314717555 1070908965 /nfs/dbraw/zinc/90/89/65/1070908965.db2.gz OQHSAEWOOHBZKR-UHFFFAOYSA-N 1 0 450.509 3.546 20 0 JHADRO CN(CC(F)(F)F)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCCS1 ZINC001314718492 1070910940 /nfs/dbraw/zinc/91/09/40/1070910940.db2.gz VSJSRIGEUZHXQG-FQEVSTJZSA-N 1 0 482.620 3.927 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(C)C)C1)c1ccsc1 ZINC001313674311 1070911396 /nfs/dbraw/zinc/91/13/96/1070911396.db2.gz UQCJGLBFUZJYRK-RTWAWAEBSA-N 1 0 457.648 3.684 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCOCC1)c1ccco1 ZINC001313674527 1070912759 /nfs/dbraw/zinc/91/27/59/1070912759.db2.gz OKBBGCWRZNWVRU-SFHVURJKSA-N 1 0 477.407 3.939 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCCCC1 ZINC001314722027 1070919636 /nfs/dbraw/zinc/91/96/36/1070919636.db2.gz DQAHZSUXMGXLQF-SFHVURJKSA-N 1 0 464.536 3.547 20 0 JHADRO CN(CC(F)(F)F)c1nnc(COc2ccc(Cl)cc2)n1CCCC[NH+]1CCOCC1 ZINC001314721603 1070918566 /nfs/dbraw/zinc/91/85/66/1070918566.db2.gz MBLZEBUBALIIGV-UHFFFAOYSA-N 1 0 461.916 3.621 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1)c1ccccc1 ZINC001313675895 1070918761 /nfs/dbraw/zinc/91/87/61/1070918761.db2.gz VXSXZKIAGIUHKX-RTWAWAEBSA-N 1 0 453.591 3.754 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)F)CC1)c1ccsc1 ZINC001313677132 1070924625 /nfs/dbraw/zinc/92/46/25/1070924625.db2.gz ICBZJTKIPFDGBJ-QUCCMNQESA-N 1 0 482.645 3.704 20 0 JHADRO CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313683337 1070944114 /nfs/dbraw/zinc/94/41/14/1070944114.db2.gz ATBLYNDNOMGFOJ-BGYRXZFFSA-N 1 0 490.718 3.798 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)NC)C1)c1ccco1 ZINC001313681752 1070941160 /nfs/dbraw/zinc/94/11/60/1070941160.db2.gz ZAIYWVIYVGACGB-DHIUTWEWSA-N 1 0 478.641 3.816 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCC1 ZINC001314728770 1070941972 /nfs/dbraw/zinc/94/19/72/1070941972.db2.gz BQABYFMBRNGHRN-MRXNPFEDSA-N 1 0 481.464 3.564 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314729391 1070943974 /nfs/dbraw/zinc/94/39/74/1070943974.db2.gz KADAAHGLEYICDV-SJLPKXTDSA-N 1 0 498.491 3.827 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2cccc(N(C)C)c2)cc1 ZINC001309748996 1070952531 /nfs/dbraw/zinc/95/25/31/1070952531.db2.gz CUGPBFXZBAZELC-IZZNHLLZSA-N 1 0 465.619 3.708 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001313691473 1070951508 /nfs/dbraw/zinc/95/15/08/1070951508.db2.gz NEEZPSBKJWDUIJ-BCQCSXDESA-N 1 0 485.673 3.885 20 0 JHADRO CN(Cc1ccc(F)c(F)c1)c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCCCC1 ZINC001314733280 1070954821 /nfs/dbraw/zinc/95/48/21/1070954821.db2.gz OSNNYXCWHORCOB-UHFFFAOYSA-N 1 0 469.540 3.716 20 0 JHADRO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001309755220 1070955252 /nfs/dbraw/zinc/95/52/52/1070955252.db2.gz WVVCIEMUONVRKZ-IRLDBZIGSA-N 1 0 457.640 3.605 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCSC)CC1 ZINC001313694054 1070955892 /nfs/dbraw/zinc/95/58/92/1070955892.db2.gz CTRAWNGEEFGQDM-UHFFFAOYSA-N 1 0 455.632 3.658 20 0 JHADRO CN(Cc1ccc(F)cc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314734776 1070958003 /nfs/dbraw/zinc/95/80/03/1070958003.db2.gz JNJFDJJBHWLSQU-HXUWFJFHSA-N 1 0 460.573 3.549 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001313694745 1070958152 /nfs/dbraw/zinc/95/81/52/1070958152.db2.gz KDQCIQOKXOURDY-UHFFFAOYSA-N 1 0 484.595 3.513 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001313695195 1070959542 /nfs/dbraw/zinc/95/95/42/1070959542.db2.gz OTLBSQHIQHJREA-HXUWFJFHSA-N 1 0 459.038 3.824 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001313695650 1070960705 /nfs/dbraw/zinc/96/07/05/1070960705.db2.gz DBKLIMZNVYOPSP-OAQYLSRUSA-N 1 0 489.064 3.832 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001313695688 1070960812 /nfs/dbraw/zinc/96/08/12/1070960812.db2.gz AOIDJHNOTMLDHR-XMMPIXPASA-N 1 0 496.700 3.641 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 ZINC001313696091 1070961842 /nfs/dbraw/zinc/96/18/42/1070961842.db2.gz TUGXFBJOBPBERL-NRFANRHFSA-N 1 0 468.646 3.738 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314736502 1070963181 /nfs/dbraw/zinc/96/31/81/1070963181.db2.gz DGTKHWDQPGFTRG-JMAYBRJHSA-N 1 0 487.714 3.911 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@@H]2COCCO2)CC1 ZINC001313696753 1070963970 /nfs/dbraw/zinc/96/39/70/1070963970.db2.gz HXARKFLPAFUWIG-HSZRJFAPSA-N 1 0 471.646 3.590 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cc(F)cc(F)c2)CC1 ZINC001313697453 1070966922 /nfs/dbraw/zinc/96/69/22/1070966922.db2.gz PKSJZHZZPKWRQL-UHFFFAOYSA-N 1 0 471.600 3.971 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001313697599 1070967087 /nfs/dbraw/zinc/96/70/87/1070967087.db2.gz RLJCVWUOAGOXRJ-HSZRJFAPSA-N 1 0 484.689 3.505 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)OC)CC1 ZINC001313697742 1070967714 /nfs/dbraw/zinc/96/77/14/1070967714.db2.gz SPRPWQFTSYSZQQ-KRWDZBQOSA-N 1 0 480.451 3.965 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@](C)(O)CC)CC1 ZINC001313698317 1070970281 /nfs/dbraw/zinc/97/02/81/1070970281.db2.gz XRUSQHGVTNRHFK-VWLOTQADSA-N 1 0 451.619 3.807 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314737870 1070968242 /nfs/dbraw/zinc/96/82/42/1070968242.db2.gz RMVBBPDJTVYTBO-YTTGMZPUSA-N 1 0 454.644 3.769 20 0 JHADRO CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001313697953 1070969021 /nfs/dbraw/zinc/96/90/21/1070969021.db2.gz WHDTVCBCTJEVME-XPWALMASSA-N 1 0 498.672 3.510 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001313698113 1070969526 /nfs/dbraw/zinc/96/95/26/1070969526.db2.gz SGIWGCVPHCQHSP-UHFFFAOYSA-N 1 0 492.672 3.951 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001313698558 1070970889 /nfs/dbraw/zinc/97/08/89/1070970889.db2.gz HOPLCJRGLLWPIM-IRLDBZIGSA-N 1 0 487.092 3.949 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC=CCO2)CC1 ZINC001313698851 1070970951 /nfs/dbraw/zinc/97/09/51/1070970951.db2.gz CVMSAQHJMMAWBU-DEOSSOPVSA-N 1 0 494.684 3.578 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC2(C)C)CC1 ZINC001313699181 1070973327 /nfs/dbraw/zinc/97/33/27/1070973327.db2.gz IWXSPIXGLJCMND-SFHVURJKSA-N 1 0 459.038 3.635 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001313699526 1070973944 /nfs/dbraw/zinc/97/39/44/1070973944.db2.gz LQUHJERSMRCXPV-IFMALSPDSA-N 1 0 452.647 3.680 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(N3CCC[C@@H]3c3nncn3C)nnc2C(C)(C)C)cc1 ZINC001313699720 1070975425 /nfs/dbraw/zinc/97/54/25/1070975425.db2.gz ICLSECIRWDVXRT-OAQYLSRUSA-N 1 0 450.635 3.936 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)NC(C)C)C1 ZINC001313701225 1070979619 /nfs/dbraw/zinc/97/96/19/1070979619.db2.gz CTFJAEMOXQQHTM-KRWDZBQOSA-N 1 0 465.017 3.820 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)c(OC)c2)CC1 ZINC001313701813 1070981444 /nfs/dbraw/zinc/98/14/44/1070981444.db2.gz YVWFMHYXCYNMTH-URXFXBBRSA-N 1 0 471.646 3.678 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001313701484 1070979983 /nfs/dbraw/zinc/97/99/83/1070979983.db2.gz GXGVNMRRQJXHBN-LJQANCHMSA-N 1 0 480.078 3.591 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(OC)CCOC2)C1 ZINC001313701683 1070980586 /nfs/dbraw/zinc/98/05/86/1070980586.db2.gz JGWXPVLXBPOIOU-HXOBKFHXSA-N 1 0 466.001 3.711 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[C@H](C)C2)c1 ZINC001313700191 1070976827 /nfs/dbraw/zinc/97/68/27/1070976827.db2.gz PUYRKAAKNIXPHS-BGYRXZFFSA-N 1 0 461.614 3.908 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(F)F)C2)c1 ZINC001313700399 1070977439 /nfs/dbraw/zinc/97/74/39/1070977439.db2.gz SWSKXPTXLZCEML-FQEVSTJZSA-N 1 0 462.589 3.788 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001313700374 1070977466 /nfs/dbraw/zinc/97/74/66/1070977466.db2.gz WNMWHWWBKOFPED-ZEQKJWHPSA-N 1 0 496.700 3.695 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C3CC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)c1 ZINC001313700671 1070978012 /nfs/dbraw/zinc/97/80/12/1070978012.db2.gz XFRVEKPQRQYVDH-UHFFFAOYSA-N 1 0 468.646 3.960 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)C[C@H](C)C2)c1 ZINC001313700741 1070978081 /nfs/dbraw/zinc/97/80/81/1070978081.db2.gz ZIKSKBJCDQHXGC-SFTDATJTSA-N 1 0 452.647 3.887 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC3(CNC(=O)C3)CC2)c1 ZINC001313701974 1070982042 /nfs/dbraw/zinc/98/20/42/1070982042.db2.gz DGQDTYXIACSQAJ-UHFFFAOYSA-N 1 0 466.674 3.863 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cc(C)nn2C)C1 ZINC001313702300 1070983487 /nfs/dbraw/zinc/98/34/87/1070983487.db2.gz OBZWPOYYVUEBAX-GOSISDBHSA-N 1 0 473.572 3.805 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccc(C)cc2)C1 ZINC001313702566 1070984757 /nfs/dbraw/zinc/98/47/57/1070984757.db2.gz PMXGHXBHHWCTLO-FQEVSTJZSA-N 1 0 496.059 3.900 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C2CC(C(C)(C)C)C2)CC1 ZINC001313702673 1070985472 /nfs/dbraw/zinc/98/54/72/1070985472.db2.gz DKXLLUPFQLXCMB-UHFFFAOYSA-N 1 0 467.662 3.636 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2cnn(C)c2)C1 ZINC001313703577 1070987505 /nfs/dbraw/zinc/98/75/05/1070987505.db2.gz ZABCSUZEXDEAGH-LJQANCHMSA-N 1 0 457.026 3.528 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(Cl)c2C)CC1 ZINC001313703938 1070988609 /nfs/dbraw/zinc/98/86/09/1070988609.db2.gz JWWIRALURXFTRL-QFIPXVFZSA-N 1 0 489.064 3.520 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001313703898 1070988662 /nfs/dbraw/zinc/98/86/62/1070988662.db2.gz JKAGRYRFMWSWSB-FGZHOGPDSA-N 1 0 488.721 3.766 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001313704043 1070989346 /nfs/dbraw/zinc/98/93/46/1070989346.db2.gz SWSRXQGHPUHABY-FQEVSTJZSA-N 1 0 464.614 3.828 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCS[C@H](C)[C@@H]2C)cc1 ZINC001313703933 1070989380 /nfs/dbraw/zinc/98/93/80/1070989380.db2.gz IKSHHDKNYRRAGI-RBUKOAKNSA-N 1 0 458.676 3.637 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)S[C@H](C)C2)c1 ZINC001313704096 1070989857 /nfs/dbraw/zinc/98/98/57/1070989857.db2.gz UPITVMNVRAGVKG-WOJBJXKFSA-N 1 0 470.687 3.621 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313704615 1070991075 /nfs/dbraw/zinc/99/10/75/1070991075.db2.gz KZWJMQKLKVFXTE-RUZDIDTESA-N 1 0 482.673 3.762 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313704868 1070991919 /nfs/dbraw/zinc/99/19/19/1070991919.db2.gz NXLBUEXRMWJQNI-DEOSSOPVSA-N 1 0 495.716 3.678 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001313705474 1070993756 /nfs/dbraw/zinc/99/37/56/1070993756.db2.gz URHTVDXFYJNCDL-FQEVSTJZSA-N 1 0 452.647 3.568 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2CCOCC2)C1 ZINC001313707395 1070998217 /nfs/dbraw/zinc/99/82/17/1070998217.db2.gz MMANNFUWEAGEEL-GOSISDBHSA-N 1 0 479.467 3.641 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)c(OC)c2)C1 ZINC001313706832 1070996815 /nfs/dbraw/zinc/99/68/15/1070996815.db2.gz GGOBWWYKXQYGNU-FQEVSTJZSA-N 1 0 450.587 3.574 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)cc2F)C1 ZINC001313708257 1070999638 /nfs/dbraw/zinc/99/96/38/1070999638.db2.gz RUGNRYUMIXMVNQ-IBGZPJMESA-N 1 0 465.577 3.589 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C)no2)C1 ZINC001313708349 1071000110 /nfs/dbraw/zinc/00/01/10/1071000110.db2.gz UOZNOEBLSWYXJE-HNNXBMFYSA-N 1 0 462.396 3.549 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(C)COC2)C1 ZINC001313709093 1071001007 /nfs/dbraw/zinc/00/10/07/1071001007.db2.gz GDEAAXMHIZAXKL-UXHICEINSA-N 1 0 476.666 3.555 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCCn2cc(Br)cn2)C1 ZINC001313709060 1071001104 /nfs/dbraw/zinc/00/11/04/1071001104.db2.gz CADJAWDUGLTCFU-UYAOXDASSA-N 1 0 494.482 3.737 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)cc2Cl)C1 ZINC001313709367 1071002125 /nfs/dbraw/zinc/00/21/25/1071002125.db2.gz LKKRIPCWPPJTLT-SFHVURJKSA-N 1 0 477.028 3.604 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313709346 1071002204 /nfs/dbraw/zinc/00/22/04/1071002204.db2.gz KZZDTSZMYSNFJE-UHFFFAOYSA-N 1 0 496.578 3.773 20 0 JHADRO C[N@@H+](Cc1ccccc1)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2COCCO2)CC1 ZINC001314750601 1071002318 /nfs/dbraw/zinc/00/23/18/1071002318.db2.gz UZZUBJYURPLHKO-HSZRJFAPSA-N 1 0 455.647 3.631 20 0 JHADRO CN(Cc1ccccc1Cl)c1nnc(-c2ccccn2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314750802 1071002898 /nfs/dbraw/zinc/00/28/98/1071002898.db2.gz WZKGWODBPWAJRF-HXUWFJFHSA-N 1 0 455.006 3.867 20 0 JHADRO CN(Cc1ccccc1Cl)c1nnc(Cc2cccnc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314752089 1071004831 /nfs/dbraw/zinc/00/48/31/1071004831.db2.gz JRXRETCCPCPTIX-QHCPKHFHSA-N 1 0 457.047 3.991 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001313712645 1071009103 /nfs/dbraw/zinc/00/91/03/1071009103.db2.gz QXVPREUAQNWFQY-ROUUACIJSA-N 1 0 458.676 3.530 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 ZINC001313710660 1071005303 /nfs/dbraw/zinc/00/53/03/1071005303.db2.gz BKBRIBMSRYYWQL-QFQXNSOFSA-N 1 0 466.630 3.550 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001313711462 1071006276 /nfs/dbraw/zinc/00/62/76/1071006276.db2.gz DKCMSBJIXZELRJ-AREMUKBSSA-N 1 0 452.647 3.691 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCS(=O)CC1 ZINC001313711671 1071006941 /nfs/dbraw/zinc/00/69/41/1071006941.db2.gz OZCBTKJCACNWBY-IBGZPJMESA-N 1 0 482.094 3.989 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001313711800 1071007117 /nfs/dbraw/zinc/00/71/17/1071007117.db2.gz HGBQGILOWYSBPB-KRWDZBQOSA-N 1 0 462.023 3.760 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](OC)C1 ZINC001313712237 1071007875 /nfs/dbraw/zinc/00/78/75/1071007875.db2.gz LRZAIJSLASXELI-QGZVFWFLSA-N 1 0 466.424 3.673 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001313712298 1071008589 /nfs/dbraw/zinc/00/85/89/1071008589.db2.gz NLGVULSIQBBMLR-HSZRJFAPSA-N 1 0 489.462 3.607 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C)C1 ZINC001313712655 1071008801 /nfs/dbraw/zinc/00/88/01/1071008801.db2.gz VCCYJELGMUQMOS-SFHVURJKSA-N 1 0 461.680 3.515 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313713380 1071010433 /nfs/dbraw/zinc/01/04/33/1071010433.db2.gz ZNHBXOAZKQJQJK-HXUWFJFHSA-N 1 0 488.652 3.984 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313713945 1071011065 /nfs/dbraw/zinc/01/10/65/1071011065.db2.gz FRCSOMHTGGHOAH-UHFFFAOYSA-N 1 0 477.657 3.920 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001313714207 1071011796 /nfs/dbraw/zinc/01/17/96/1071011796.db2.gz HSNZMIGKCMWAEP-UHFFFAOYSA-N 1 0 467.662 3.737 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001313714633 1071012636 /nfs/dbraw/zinc/01/26/36/1071012636.db2.gz ZZFWYJUHGFLCRW-MQFAKOPTSA-N 1 0 463.667 3.723 20 0 JHADRO COC(=O)c1cccc(S(=O)(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC001309908416 1071013028 /nfs/dbraw/zinc/01/30/28/1071013028.db2.gz IBLJHTGMUNXSMT-AZGAKELHSA-N 1 0 464.587 3.810 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001313715202 1071013417 /nfs/dbraw/zinc/01/34/17/1071013417.db2.gz HDBDRCHXQIVEOF-UHFFFAOYSA-N 1 0 496.704 3.981 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001313719880 1071020486 /nfs/dbraw/zinc/02/04/86/1071020486.db2.gz XUDBQETXRZKTHU-GSPCLOLRSA-N 1 0 477.694 3.560 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001313715961 1071015623 /nfs/dbraw/zinc/01/56/23/1071015623.db2.gz MHBUVDMSQKQQQQ-MRXNPFEDSA-N 1 0 483.444 3.563 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001313715954 1071015681 /nfs/dbraw/zinc/01/56/81/1071015681.db2.gz MDBTYMWTQGVDNS-FQEVSTJZSA-N 1 0 456.664 3.613 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001313716360 1071015803 /nfs/dbraw/zinc/01/58/03/1071015803.db2.gz QPEXEKCDCWKKEM-SANMLTNESA-N 1 0 467.662 3.890 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001313716585 1071015915 /nfs/dbraw/zinc/01/59/15/1071015915.db2.gz TUYKGSKIPIIRDX-HXUWFJFHSA-N 1 0 468.581 3.545 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC001313716606 1071016418 /nfs/dbraw/zinc/01/64/18/1071016418.db2.gz LEMZZETUOLSQNX-UHFFFAOYSA-N 1 0 471.650 3.831 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[NH+]1CCOCC1 ZINC001314761305 1071018082 /nfs/dbraw/zinc/01/80/82/1071018082.db2.gz UAVLBXALHDPQNI-UHFFFAOYSA-N 1 0 465.646 3.725 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001313718007 1071018050 /nfs/dbraw/zinc/01/80/50/1071018050.db2.gz IGZIHNXBFIOMSY-SFHVURJKSA-N 1 0 496.487 3.932 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001313718025 1071018357 /nfs/dbraw/zinc/01/83/57/1071018357.db2.gz IIZSAWGWTZQTDS-OAQYLSRUSA-N 1 0 474.053 3.695 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2ccccn2)n1CCC[NH+]1CCCCC1 ZINC001314762265 1071019464 /nfs/dbraw/zinc/01/94/64/1071019464.db2.gz KDYJDFWARWGHFV-UHFFFAOYSA-N 1 0 462.524 3.605 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001313720155 1071021305 /nfs/dbraw/zinc/02/13/05/1071021305.db2.gz VAAZCBRPIWBAAX-QHCPKHFHSA-N 1 0 474.694 3.727 20 0 JHADRO CCOC(=O)c1ccc(F)c(S(=O)(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC001309936763 1071021993 /nfs/dbraw/zinc/02/19/93/1071021993.db2.gz WSQDCMOCBFEYCK-UHFFFAOYSA-N 1 0 456.539 3.660 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001313721090 1071022424 /nfs/dbraw/zinc/02/24/24/1071022424.db2.gz DQGRRZYJYMZQMI-KOSHJBKYSA-N 1 0 479.044 3.769 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001313722387 1071026281 /nfs/dbraw/zinc/02/62/81/1071026281.db2.gz YHHJCQSPRYWXHN-HXUWFJFHSA-N 1 0 498.672 3.674 20 0 JHADRO CN(Cc1cnccn1)c1nnc(-c2cccc(OC(F)F)c2)n1CC1([NH+](C)C)CCCC1 ZINC001314763493 1071022727 /nfs/dbraw/zinc/02/27/27/1071022727.db2.gz GRQVNDRUHUBBPW-UHFFFAOYSA-N 1 0 457.529 3.847 20 0 JHADRO CN(Cc1cnn(Cc2ccccc2)c1)c1nnc(C(C)(C)C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314763699 1071023086 /nfs/dbraw/zinc/02/30/86/1071023086.db2.gz ZVMJMJXGIWULNK-VWLOTQADSA-N 1 0 467.687 3.894 20 0 JHADRO CN(Cc1cnccn1)c1nnc(-c2ccc(Br)s2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314764195 1071024357 /nfs/dbraw/zinc/02/43/57/1071024357.db2.gz SVZUHLCGNSCVDG-IBGZPJMESA-N 1 0 494.488 3.633 20 0 JHADRO O=S(=O)(Cc1ncsc1Br)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001309943882 1071024556 /nfs/dbraw/zinc/02/45/56/1071024556.db2.gz WUNYGWPIOXFEEP-IXDOHACOSA-N 1 0 470.458 3.626 20 0 JHADRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001309944152 1071024610 /nfs/dbraw/zinc/02/46/10/1071024610.db2.gz WYULWLYQGLSDGC-FYYLOGMGSA-N 1 0 459.587 3.961 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313721500 1071024672 /nfs/dbraw/zinc/02/46/72/1071024672.db2.gz DXLKQONRMJDKNA-YADHBBJMSA-N 1 0 454.663 3.972 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC=C(Br)C1 ZINC001313722231 1071026209 /nfs/dbraw/zinc/02/62/09/1071026209.db2.gz SFNXTQVMIJHCQI-OAHLLOKOSA-N 1 0 462.392 3.893 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001313723722 1071029205 /nfs/dbraw/zinc/02/92/05/1071029205.db2.gz MHANNAFGWDYDCO-BRWVUGGUSA-N 1 0 465.440 3.629 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 ZINC001313724059 1071030093 /nfs/dbraw/zinc/03/00/93/1071030093.db2.gz OVYLMOYPGWXYIP-AUSIDOKSSA-N 1 0 482.673 3.947 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001313722495 1071026885 /nfs/dbraw/zinc/02/68/85/1071026885.db2.gz CTPGODLYYGLIQS-IAGOWNOFSA-N 1 0 489.466 3.884 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313724561 1071031081 /nfs/dbraw/zinc/03/10/81/1071031081.db2.gz XLOOAHAYIUXJLX-UXHICEINSA-N 1 0 471.650 3.824 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCC1 ZINC001313725241 1071031977 /nfs/dbraw/zinc/03/19/77/1071031977.db2.gz HQDOFYHFUFRELZ-TZIWHRDSSA-N 1 0 478.682 3.943 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC001313725294 1071032040 /nfs/dbraw/zinc/03/20/40/1071032040.db2.gz ILTZUUALWQASPQ-UEVCKROQSA-N 1 0 457.619 3.837 20 0 JHADRO CCC(CC)[C@H](CNC(=O)Nc1ccc(I)cc1C)[NH+]1CCOCC1 ZINC001309978042 1071036332 /nfs/dbraw/zinc/03/63/32/1071036332.db2.gz NBOUATBDXLXKRQ-SFHVURJKSA-N 1 0 459.372 3.858 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC001309975272 1071034613 /nfs/dbraw/zinc/03/46/13/1071034613.db2.gz KEKAKYWICUTNSU-DVECYGJZSA-N 1 0 450.583 3.580 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001313726799 1071035680 /nfs/dbraw/zinc/03/56/80/1071035680.db2.gz GTESYOGXLOCPAX-LJQANCHMSA-N 1 0 475.609 3.848 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001313724983 1071031490 /nfs/dbraw/zinc/03/14/90/1071031490.db2.gz CVNGKDGTBZCAES-YADHBBJMSA-N 1 0 482.673 3.610 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001309980359 1071037358 /nfs/dbraw/zinc/03/73/58/1071037358.db2.gz JIOAVUJYGOEIJN-CVDCTZTESA-N 1 0 456.612 3.503 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313728170 1071038725 /nfs/dbraw/zinc/03/87/25/1071038725.db2.gz QJZKSRHPYCBDGH-OAQYLSRUSA-N 1 0 479.673 3.775 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001313728770 1071040780 /nfs/dbraw/zinc/04/07/80/1071040780.db2.gz VRUAAPKLTQYHGD-YADHBBJMSA-N 1 0 455.647 3.761 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc([C@H]2CCCO2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314773092 1071041048 /nfs/dbraw/zinc/04/10/48/1071041048.db2.gz NHFHCHGNHRNBBS-QZTJIDSGSA-N 1 0 450.031 3.663 20 0 JHADRO CN(Cc1nccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314773393 1071042039 /nfs/dbraw/zinc/04/20/39/1071042039.db2.gz ZBSWAIMVJRRSTI-UHFFFAOYSA-N 1 0 488.683 3.706 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001313731020 1071046000 /nfs/dbraw/zinc/04/60/00/1071046000.db2.gz DJSUINAGFLGYOE-RDJZCZTQSA-N 1 0 451.040 3.845 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001314777033 1071049485 /nfs/dbraw/zinc/04/94/85/1071049485.db2.gz IOBWIUSECXKOBV-UHFFFAOYSA-N 1 0 472.588 3.517 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001313732865 1071050609 /nfs/dbraw/zinc/05/06/09/1071050609.db2.gz IKUUMBHOKXUOCW-HSZRJFAPSA-N 1 0 452.578 3.863 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(CN2CCCC2=O)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001313732930 1071051140 /nfs/dbraw/zinc/05/11/40/1071051140.db2.gz KUBHYHVVIAYTDJ-GOSISDBHSA-N 1 0 495.093 3.643 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001313733652 1071052528 /nfs/dbraw/zinc/05/25/28/1071052528.db2.gz HTHVORWFNIXKLW-GGAORHGYSA-N 1 0 459.610 3.695 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001313733654 1071052626 /nfs/dbraw/zinc/05/26/26/1071052626.db2.gz HTHVORWFNIXKLW-JTHBVZDNSA-N 1 0 459.610 3.695 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+](C)C1CCCCC1 ZINC001314780183 1071055091 /nfs/dbraw/zinc/05/50/91/1071055091.db2.gz BWTVTUZAGYRLAE-UHFFFAOYSA-N 1 0 461.561 3.671 20 0 JHADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc(CC(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313738688 1071063144 /nfs/dbraw/zinc/06/31/44/1071063144.db2.gz MNTNHDMWPHPIKA-UHFFFAOYSA-N 1 0 470.662 3.648 20 0 JHADRO CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001310015584 1071059974 /nfs/dbraw/zinc/05/99/74/1071059974.db2.gz SKXZVGJBJSPWAQ-JOCHJYFZSA-N 1 0 458.628 3.749 20 0 JHADRO CN(C[C@H]1CC=CCC1)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314790598 1071068462 /nfs/dbraw/zinc/06/84/62/1071068462.db2.gz PLHAUOHNKWLROE-PMACEKPBSA-N 1 0 459.585 3.786 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C[NH+](C)C ZINC001313744622 1071072334 /nfs/dbraw/zinc/07/23/34/1071072334.db2.gz DLTGCKKERQNQCO-UHFFFAOYSA-N 1 0 453.566 3.679 20 0 JHADRO CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001313749404 1071080088 /nfs/dbraw/zinc/08/00/88/1071080088.db2.gz GUVBHDWOAMUDBS-RTWAWAEBSA-N 1 0 468.627 3.629 20 0 JHADRO CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001313750180 1071080809 /nfs/dbraw/zinc/08/08/09/1071080809.db2.gz ZWEJOVIGFZUJLI-HXUWFJFHSA-N 1 0 456.591 3.588 20 0 JHADRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC001310045386 1071081655 /nfs/dbraw/zinc/08/16/55/1071081655.db2.gz FOAYCWHONPJTMY-QGZVFWFLSA-N 1 0 458.404 3.601 20 0 JHADRO Cc1cc(NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)ccc1N1CC[NH+](C)CC1 ZINC001310059650 1071090734 /nfs/dbraw/zinc/09/07/34/1071090734.db2.gz KEJUDBNMMCHQJP-FQEVSTJZSA-N 1 0 455.990 3.717 20 0 JHADRO CN(C[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314805258 1071091073 /nfs/dbraw/zinc/09/10/73/1071091073.db2.gz SLGMMMUYIJEULH-HSZRJFAPSA-N 1 0 497.688 3.833 20 0 JHADRO Cc1cc(NC(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)ccc1N1CC[NH+](C)CC1 ZINC001310060284 1071090643 /nfs/dbraw/zinc/09/06/43/1071090643.db2.gz QUQNRQLFYHPYGQ-FGZHOGPDSA-N 1 0 457.619 3.753 20 0 JHADRO 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ZINC001310276141 1071259555 /nfs/dbraw/zinc/25/95/55/1071259555.db2.gz RNHPAVMKSPGCPC-HSZRJFAPSA-N 1 0 451.571 3.905 20 0 JHADRO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 ZINC001310276829 1071260845 /nfs/dbraw/zinc/26/08/45/1071260845.db2.gz TUVUVWSCTDBQBM-GOSISDBHSA-N 1 0 458.525 3.862 20 0 JHADRO C[N@H+](CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001314864415 1071263206 /nfs/dbraw/zinc/26/32/06/1071263206.db2.gz BZPDFXHQVRNCNL-UHFFFAOYSA-N 1 0 484.664 3.977 20 0 JHADRO C[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCC(N2CCCNC2=O)CC1)C1CCCCC1 ZINC001314864601 1071263749 /nfs/dbraw/zinc/26/37/49/1071263749.db2.gz SLILKTCPHWIAKT-UHFFFAOYSA-N 1 0 459.683 3.515 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccncc2)nnc1N1CCOC2(CCCC2)C1)CCC(F)(F)F ZINC001313817303 1071265036 /nfs/dbraw/zinc/26/50/36/1071265036.db2.gz RBWTYYAOWKDVCZ-UHFFFAOYSA-N 1 0 466.552 3.688 20 0 JHADRO CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1)CCC(F)(F)F ZINC001313817599 1071266049 /nfs/dbraw/zinc/26/60/49/1071266049.db2.gz KHOAVVDAXOTTSG-SFHVURJKSA-N 1 0 472.600 3.732 20 0 JHADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc([C@H](C)N4CCOCC4)cc3)CC2)cc1 ZINC001310280438 1071263350 /nfs/dbraw/zinc/26/33/50/1071263350.db2.gz IKWQHTVYGZHJHV-NRFANRHFSA-N 1 0 452.599 3.828 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)C(C)C ZINC001313818537 1071269049 /nfs/dbraw/zinc/26/90/49/1071269049.db2.gz KNMJJLGUQJARBO-DEOSSOPVSA-N 1 0 464.662 3.957 20 0 JHADRO C[N@H+](CCn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC001314866118 1071269549 /nfs/dbraw/zinc/26/95/49/1071269549.db2.gz RJWKHVLLQWHLRX-IBGZPJMESA-N 1 0 485.526 3.684 20 0 JHADRO CC[N@H+](CCn1c(CC2CCCC2)nnc1N1CCN(Cc2csc(C)n2)CC1)C(C)C ZINC001313818802 1071270107 /nfs/dbraw/zinc/27/01/07/1071270107.db2.gz BAECAGAKAMHVAK-UHFFFAOYSA-N 1 0 459.708 3.828 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1)C(C)C ZINC001313818913 1071270328 /nfs/dbraw/zinc/27/03/28/1071270328.db2.gz STEPXTLMGZWENQ-HXUWFJFHSA-N 1 0 456.038 3.980 20 0 JHADRO CCN(CCn1c(CCc2ccccc2)nnc1N1CC[N@H+](CC)[C@H](C)C1)C(=O)OC(C)(C)C ZINC001313819038 1071270989 /nfs/dbraw/zinc/27/09/89/1071270989.db2.gz GGUHWXDXZSARAH-OAQYLSRUSA-N 1 0 470.662 3.851 20 0 JHADRO CC[N@H+](CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)C(C)C ZINC001313819587 1071274396 /nfs/dbraw/zinc/27/43/96/1071274396.db2.gz MYYOPEJXIALBDU-WXVAWEFUSA-N 1 0 485.673 3.577 20 0 JHADRO C[NH+](C)CCCOc1ccc(NC(=O)N(CCO)Cc2cc(Br)cs2)cc1 ZINC001310288566 1071272567 /nfs/dbraw/zinc/27/25/67/1071272567.db2.gz UOMDYIDFFHFIEJ-UHFFFAOYSA-N 1 0 456.406 3.868 20 0 JHADRO CC[N@H+](CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1)C(C)C ZINC001313819250 1071273073 /nfs/dbraw/zinc/27/30/73/1071273073.db2.gz KDGDUFGUGKSSNF-QFIPXVFZSA-N 1 0 455.647 3.761 20 0 JHADRO CC[N@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1nncn1C)C(C)C ZINC001313820946 1071279571 /nfs/dbraw/zinc/27/95/71/1071279571.db2.gz YGSAGCSTXAXXRV-FQEVSTJZSA-N 1 0 473.025 3.711 20 0 JHADRO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001310292327 1071275603 /nfs/dbraw/zinc/27/56/03/1071275603.db2.gz RKESYHPQPKJSDQ-ICSRJNTNSA-N 1 0 456.612 3.502 20 0 JHADRO CN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)C(=O)OC(C)(C)C ZINC001314868059 1071275994 /nfs/dbraw/zinc/27/59/94/1071275994.db2.gz WLVMBTFBZFSBDQ-PWRODBHTSA-N 1 0 490.693 3.738 20 0 JHADRO CN(CCn1cccn1)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314868526 1071277424 /nfs/dbraw/zinc/27/74/24/1071277424.db2.gz PVEYVCFCNTYYTI-UHFFFAOYSA-N 1 0 489.466 3.501 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)C(C)C ZINC001313821436 1071282471 /nfs/dbraw/zinc/28/24/71/1071282471.db2.gz XAZLVCXWOCLTFT-CJFMBICVSA-N 1 0 459.610 3.513 20 0 JHADRO CC[N@H+](CCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C ZINC001313821772 1071283878 /nfs/dbraw/zinc/28/38/78/1071283878.db2.gz GLHBLVGKTHTRMQ-DEOSSOPVSA-N 1 0 459.660 3.605 20 0 JHADRO CC[N@H+](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1nccs1)C1CC1 ZINC001313821969 1071284737 /nfs/dbraw/zinc/28/47/37/1071284737.db2.gz JRXFUZJONSSMEM-CALCHBBNSA-N 1 0 475.663 3.626 20 0 JHADRO C[N@@H+]1CCN(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)CCC1(C)C ZINC001310301826 1071285226 /nfs/dbraw/zinc/28/52/26/1071285226.db2.gz UWGGJDJMFISKKD-UHFFFAOYSA-N 1 0 451.539 3.887 20 0 JHADRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001313824945 1071292273 /nfs/dbraw/zinc/29/22/73/1071292273.db2.gz OJJWBUJMWRJOPI-UHFFFAOYSA-N 1 0 487.695 3.790 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)C(C)C ZINC001313825639 1071294389 /nfs/dbraw/zinc/29/43/89/1071294389.db2.gz GADFJZZFDFYTDD-MDNUFGMLSA-N 1 0 471.694 3.730 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1)C(C)C ZINC001313827253 1071298384 /nfs/dbraw/zinc/29/83/84/1071298384.db2.gz VRDHBAXXXGMWFH-FYYLOGMGSA-N 1 0 476.710 3.622 20 0 JHADRO O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001310318862 1071301299 /nfs/dbraw/zinc/30/12/99/1071301299.db2.gz QHRAGLUZALQFEL-UXHICEINSA-N 1 0 451.493 3.781 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)CCO2)cn1 ZINC001313833074 1071307455 /nfs/dbraw/zinc/30/74/55/1071307455.db2.gz QAPVGALWWZAEGC-OALUTQOASA-N 1 0 457.648 3.734 20 0 JHADRO CN(CCOc1ccccc1Cl)c1nnc(-c2cnn(C)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314882697 1071309081 /nfs/dbraw/zinc/30/90/81/1071309081.db2.gz SVWMTMZTEYQLDS-UHFFFAOYSA-N 1 0 472.037 3.969 20 0 JHADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)CC1 ZINC001310323301 1071306718 /nfs/dbraw/zinc/30/67/18/1071306718.db2.gz YZBMNTFTCIOXNE-UHFFFAOYSA-N 1 0 456.612 3.503 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2([NH+](C)C)CCC2)cn1 ZINC001313834085 1071310332 /nfs/dbraw/zinc/31/03/32/1071310332.db2.gz BOVIHBAXNDZEIH-GOSISDBHSA-N 1 0 455.582 3.894 20 0 JHADRO CN(CCS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001314885980 1071314704 /nfs/dbraw/zinc/31/47/04/1071314704.db2.gz JVYXQLWWQLZJNL-OAQYLSRUSA-N 1 0 480.078 3.876 20 0 JHADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)c1 ZINC001310331829 1071313742 /nfs/dbraw/zinc/31/37/42/1071313742.db2.gz ROZCNQOKOKBREO-UHFFFAOYSA-N 1 0 450.580 3.676 20 0 JHADRO CN(CCOCC1CC1)c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCSCC1 ZINC001314886338 1071315340 /nfs/dbraw/zinc/31/53/40/1071315340.db2.gz XLTITXZFBRAIRK-UHFFFAOYSA-N 1 0 498.466 3.758 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(Cc4ccccc4F)n3CC[NH+](C(C)C)C(C)C)CCO2)cn1 ZINC001313837863 1071320719 /nfs/dbraw/zinc/32/07/19/1071320719.db2.gz WHZYKJJXOIDWSY-DEOSSOPVSA-N 1 0 483.636 3.921 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc(Cc4csc(C)n4)n3CC[NH+](C(C)C)C(C)C)CCO2)cn1 ZINC001313837928 1071320846 /nfs/dbraw/zinc/32/08/46/1071320846.db2.gz YLDYBHLERUXZQG-JOCHJYFZSA-N 1 0 486.690 3.547 20 0 JHADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(C(C)(C)C)n1CCC(=O)NC1CCCCC1 ZINC001314893862 1071325358 /nfs/dbraw/zinc/32/53/58/1071325358.db2.gz YOZRRSFRWSMULK-GBXCKJPGSA-N 1 0 498.720 3.667 20 0 JHADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)[C@@H]1c1cccs1 ZINC001310343559 1071326382 /nfs/dbraw/zinc/32/63/82/1071326382.db2.gz ZQSFIRCSCHUMKO-FZKQIMNGSA-N 1 0 457.021 3.978 20 0 JHADRO CCn1cc(CN(C)c2nnc(-c3ccccc3Cl)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cn1 ZINC001313838409 1071321286 /nfs/dbraw/zinc/32/12/86/1071321286.db2.gz ANYTZLYXTWCIFD-QFIPXVFZSA-N 1 0 472.037 3.808 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)cn1 ZINC001313838171 1071321309 /nfs/dbraw/zinc/32/13/09/1071321309.db2.gz MDAKPAZUWXEGHN-PKTZIBPZSA-N 1 0 467.618 3.684 20 0 JHADRO CCn1cc(CN(C)c2nnc(-c3ccc(OC)c(Br)c3)n2CC[N@H+](C)C(C)C)cn1 ZINC001313839137 1071322960 /nfs/dbraw/zinc/32/29/60/1071322960.db2.gz OKFRNFCBJSLGJU-UHFFFAOYSA-N 1 0 490.450 3.909 20 0 JHADRO COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC001310341110 1071324038 /nfs/dbraw/zinc/32/40/38/1071324038.db2.gz VATJHKPGAHLILJ-QGZVFWFLSA-N 1 0 454.637 3.548 20 0 JHADRO CCn1cc(CN(C)c2nnc(Cc3csc(C)n3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC001313843802 1071332015 /nfs/dbraw/zinc/33/20/15/1071332015.db2.gz RFYDQXUUSSZUHZ-OALUTQOASA-N 1 0 470.691 3.855 20 0 JHADRO CCn1cc(Cn2c(-c3cccc(OC)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cn1 ZINC001313843310 1071331138 /nfs/dbraw/zinc/33/11/38/1071331138.db2.gz QIGPDYQNPVILQT-UHFFFAOYSA-N 1 0 451.619 3.777 20 0 JHADRO COc1ccccc1[C@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)NC(=O)OC(C)(C)C ZINC001310346281 1071328353 /nfs/dbraw/zinc/32/83/53/1071328353.db2.gz JZDPSGKKGNCOSA-IBGZPJMESA-N 1 0 452.515 3.663 20 0 JHADRO CCn1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001313842271 1071328272 /nfs/dbraw/zinc/32/82/72/1071328272.db2.gz BDPORFUHGGXOGB-UHFFFAOYSA-N 1 0 478.464 3.954 20 0 JHADRO 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CCn1cccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1=O ZINC001313851999 1071349842 /nfs/dbraw/zinc/34/98/42/1071349842.db2.gz QJULTGSDEXGRLO-UHFFFAOYSA-N 1 0 480.632 3.795 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314914686 1071355733 /nfs/dbraw/zinc/35/57/33/1071355733.db2.gz SLLJADGYLYYRIM-LJQANCHMSA-N 1 0 471.650 3.652 20 0 JHADRO CN(C[C@@H]1CC=CCC1)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314922937 1071365999 /nfs/dbraw/zinc/36/59/99/1071365999.db2.gz MPHPIVKMHAYYSE-OPAMFIHVSA-N 1 0 478.410 3.706 20 0 JHADRO CN(Cc1cc(Br)cs1)c1nnc(-c2ccccc2F)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314922430 1071366043 /nfs/dbraw/zinc/36/60/43/1071366043.db2.gz DLCMKKRJSXAINQ-HXUWFJFHSA-N 1 0 480.407 3.611 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CCCOCCOC)C[C@H]1C ZINC001313859618 1071365418 /nfs/dbraw/zinc/36/54/18/1071365418.db2.gz HHPWMCWFEPBFAT-MOPGFXCFSA-N 1 0 494.478 3.988 20 0 JHADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001314922402 1071365634 /nfs/dbraw/zinc/36/56/34/1071365634.db2.gz CZOORFCLEPQZFK-HYBUGGRVSA-N 1 0 495.590 3.857 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC2CC2)C[C@H]1C ZINC001313860035 1071366743 /nfs/dbraw/zinc/36/67/43/1071366743.db2.gz IONRTSGHYGLDBL-FGTMMUONSA-N 1 0 475.037 3.517 20 0 JHADRO CN(Cc1cscn1)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314924635 1071367491 /nfs/dbraw/zinc/36/74/91/1071367491.db2.gz VMMCZWDNLLRTEG-IBGZPJMESA-N 1 0 497.850 3.521 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNC(=O)C(C)C)C[C@H]1C ZINC001313860485 1071369588 /nfs/dbraw/zinc/36/95/88/1071369588.db2.gz LGMVDOFOFJNRKO-QZTJIDSGSA-N 1 0 478.588 3.628 20 0 JHADRO CN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[N@H+](C)C2CCCCC2)CC1=O ZINC001314927014 1071369851 /nfs/dbraw/zinc/36/98/51/1071369851.db2.gz TZQYCTJHRKTYND-UHFFFAOYSA-N 1 0 489.462 3.641 20 0 JHADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC001310409200 1071373075 /nfs/dbraw/zinc/37/30/75/1071373075.db2.gz ZAOHLEDWMDPBEX-UXHICEINSA-N 1 0 450.649 3.883 20 0 JHADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC001310409202 1071373845 /nfs/dbraw/zinc/37/38/45/1071373845.db2.gz ZAOHLEDWMDPBEX-VQTJNVASSA-N 1 0 450.649 3.883 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(C)nc4ccccc43)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001313861552 1071373926 /nfs/dbraw/zinc/37/39/26/1071373926.db2.gz NQZLWFIZNWSCIJ-VQTJNVASSA-N 1 0 477.657 3.883 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(Cl)c2C)C[C@@H]1C ZINC001313861539 1071374318 /nfs/dbraw/zinc/37/43/18/1071374318.db2.gz NNQQPZPCCUKTMH-JENIJYKNSA-N 1 0 450.027 3.931 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3ccc4oc(N(C)C)nc4c3)CC2)c1 ZINC001310411234 1071375145 /nfs/dbraw/zinc/37/51/45/1071375145.db2.gz ZJHKGMSXKBKUPN-UHFFFAOYSA-N 1 0 450.587 3.926 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCSC)C[C@H]1C ZINC001313861883 1071375245 /nfs/dbraw/zinc/37/52/45/1071375245.db2.gz RLSQBJNPJGYGJO-MSOLQXFVSA-N 1 0 479.094 3.924 20 0 JHADRO C[N@@H+]1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](C(F)F)C2)CC1(C)C ZINC001314932057 1071377714 /nfs/dbraw/zinc/37/77/14/1071377714.db2.gz YADHIQMGSWNWON-KRWDZBQOSA-N 1 0 482.570 3.655 20 0 JHADRO COC(=O)[C@@H](CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)Cc1cccc(F)c1 ZINC001310422558 1071381562 /nfs/dbraw/zinc/38/15/62/1071381562.db2.gz BQDXBCOWAOCTDT-HXUWFJFHSA-N 1 0 457.546 3.844 20 0 JHADRO O=C(CCCNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1Cc2ccccc2C1 ZINC001310422952 1071381912 /nfs/dbraw/zinc/38/19/12/1071381912.db2.gz GWQXFMXCFXESBY-UHFFFAOYSA-N 1 0 450.583 3.995 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2ccnc2C)C[C@@H]1C ZINC001313863676 1071382095 /nfs/dbraw/zinc/38/20/95/1071382095.db2.gz WJWFYYOWEQSYGP-SFTDATJTSA-N 1 0 478.645 3.661 20 0 JHADRO CSC1(CNC(=O)Nc2cc(I)ccc2Cl)CC[NH+](C)CC1 ZINC001310422920 1071382222 /nfs/dbraw/zinc/38/22/22/1071382222.db2.gz RPNASTKMTSFEMF-UHFFFAOYSA-N 1 0 453.777 3.894 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2Cc2ncccc2C)C[C@H]1C ZINC001313863817 1071383283 /nfs/dbraw/zinc/38/32/83/1071383283.db2.gz TVOAFKRHCOCRJY-SJORKVTESA-N 1 0 472.435 3.717 20 0 JHADRO C[N@@H+]1CCN(CCn2c(CC(C)(C)C)nnc2N2CCC(CO)(Cc3ccccc3)CC2)CC1(C)C ZINC001314932064 1071378397 /nfs/dbraw/zinc/37/83/97/1071378397.db2.gz YNRNENYKAJUYIY-UHFFFAOYSA-N 1 0 496.744 3.714 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCn2nc(C)cc2C)C[C@H]1C ZINC001313863182 1071380335 /nfs/dbraw/zinc/38/03/35/1071380335.db2.gz VAKSANJHKUPTIL-RTWAWAEBSA-N 1 0 481.645 3.785 20 0 JHADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC001310424621 1071383685 /nfs/dbraw/zinc/38/36/85/1071383685.db2.gz XNGPJCUDYBKXEL-RBBKRZOGSA-N 1 0 459.612 3.969 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccn2)C[C@H]1C ZINC001313863884 1071384040 /nfs/dbraw/zinc/38/40/40/1071384040.db2.gz UONPSQFOAFAGPQ-HZPDHXFCSA-N 1 0 458.408 3.592 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H](OC)C(F)(F)F)C[C@H]1C ZINC001313863964 1071384059 /nfs/dbraw/zinc/38/40/59/1071384059.db2.gz FFZDFMWUFMXKBL-YCPHGPKFSA-N 1 0 460.932 3.880 20 0 JHADRO CN(c1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC001310426485 1071384335 /nfs/dbraw/zinc/38/43/35/1071384335.db2.gz NAWQVFPCHMZBMV-UHFFFAOYSA-N 1 0 450.992 3.522 20 0 JHADRO COC(=O)CCc1csc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC001310426584 1071385075 /nfs/dbraw/zinc/38/50/75/1071385075.db2.gz MBFIQRFNUQEBEB-OAHLLOKOSA-N 1 0 456.490 3.664 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313864715 1071388532 /nfs/dbraw/zinc/38/85/32/1071388532.db2.gz GTMVVDPPIXDNBI-KZNAEPCWSA-N 1 0 486.617 3.506 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001314936934 1071386810 /nfs/dbraw/zinc/38/68/10/1071386810.db2.gz NRJGAFNYXLXRDC-IBGZPJMESA-N 1 0 488.080 3.714 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CCC(C)C)c2ccccc2c1=O ZINC001313864628 1071387546 /nfs/dbraw/zinc/38/75/46/1071387546.db2.gz MKBHHTQZJOSPOJ-OALUTQOASA-N 1 0 451.619 3.640 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)Nc1cccn(CC(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 ZINC001310434031 1071388255 /nfs/dbraw/zinc/38/82/55/1071388255.db2.gz SSAFPYQLXSRSHX-OAHLLOKOSA-N 1 0 450.383 3.854 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nc(C)c(C)s2)C[C@H]1C ZINC001313865831 1071394258 /nfs/dbraw/zinc/39/42/58/1071394258.db2.gz YHOCHHGORWTULS-NXMSCROESA-N 1 0 476.691 3.554 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3COc4ccccc4O3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313865506 1071392862 /nfs/dbraw/zinc/39/28/62/1071392862.db2.gz DWDCDUAARJWEGW-ZQIUZPCESA-N 1 0 486.361 3.697 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313865744 1071393118 /nfs/dbraw/zinc/39/31/18/1071393118.db2.gz XICKWROYDRJMBC-HSALFYBXSA-N 1 0 486.636 3.735 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314941541 1071393933 /nfs/dbraw/zinc/39/39/33/1071393933.db2.gz KCPNHBYDWSLHLS-RBBKRZOGSA-N 1 0 484.664 3.871 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313864805 1071389416 /nfs/dbraw/zinc/38/94/16/1071389416.db2.gz NFULPGVEDTUJSV-UXHICEINSA-N 1 0 471.650 3.872 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccccc2F)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001314939106 1071389945 /nfs/dbraw/zinc/38/99/45/1071389945.db2.gz HHCVURKHBXNPHH-UHFFFAOYSA-N 1 0 456.610 3.559 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CCn2cc(Cl)cn2)C[C@H]1C ZINC001313866250 1071394894 /nfs/dbraw/zinc/39/48/94/1071394894.db2.gz FQLWBZJHFFNPNS-WOJBJXKFSA-N 1 0 456.038 3.922 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001313865963 1071395005 /nfs/dbraw/zinc/39/50/05/1071395005.db2.gz JDOCDJPYFINBQP-JEZSTIGHSA-N 1 0 468.429 3.711 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313866595 1071396607 /nfs/dbraw/zinc/39/66/07/1071396607.db2.gz KEMCXEFEPAURHS-LEWJYISDSA-N 1 0 498.672 3.674 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001313867156 1071399131 /nfs/dbraw/zinc/39/91/31/1071399131.db2.gz MCMTVCJIXNQABT-HOTGVXAUSA-N 1 0 471.524 3.808 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313868560 1071405563 /nfs/dbraw/zinc/40/55/63/1071405563.db2.gz BVIIBRAUSJRIKJ-OALUTQOASA-N 1 0 457.623 3.564 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCOC2)C[C@@H]1C ZINC001313867630 1071400911 /nfs/dbraw/zinc/40/09/11/1071400911.db2.gz MSCCYATYUCSXDD-UFYCRDLUSA-N 1 0 457.619 3.696 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001313867750 1071401670 /nfs/dbraw/zinc/40/16/70/1071401670.db2.gz AOTCCQMXNBYDTK-SJORKVTESA-N 1 0 475.439 3.632 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314946601 1071405707 /nfs/dbraw/zinc/40/57/07/1071405707.db2.gz UIELTTKVTPGZPE-QAPCUYQASA-N 1 0 491.061 3.790 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314948362 1071410989 /nfs/dbraw/zinc/41/09/89/1071410989.db2.gz NGDSZDXIEUOVRX-UZUQRXQVSA-N 1 0 491.665 3.984 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2C[C@@H]2C)C[C@H]1C ZINC001313868685 1071406321 /nfs/dbraw/zinc/40/63/21/1071406321.db2.gz NAIXIAAWWBYISG-JTJHWIPRSA-N 1 0 460.667 3.968 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313871419 1071416887 /nfs/dbraw/zinc/41/68/87/1071416887.db2.gz YZBRHFQWECMXKS-RTBURBONSA-N 1 0 481.645 3.794 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001313870116 1071412620 /nfs/dbraw/zinc/41/26/20/1071412620.db2.gz FQOAJASBDZBDMJ-VAMGGRTRSA-N 1 0 471.650 3.905 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCSCCCO)C[C@H]1C ZINC001313871673 1071417369 /nfs/dbraw/zinc/41/73/69/1071417369.db2.gz GYDXCBMWUFPLDT-MSOLQXFVSA-N 1 0 452.068 3.557 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2cccc(C(OC)OC)c2)C[C@@H]1C ZINC001313872603 1071419862 /nfs/dbraw/zinc/41/98/62/1071419862.db2.gz JKZIPXOWNXKTDY-OALUTQOASA-N 1 0 452.603 3.542 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2cc(OC)ccc2OC(F)F)C[C@H]1C ZINC001313872242 1071420092 /nfs/dbraw/zinc/42/00/92/1071420092.db2.gz IXZZMCTWFZSNBQ-MSOLQXFVSA-N 1 0 486.567 3.841 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[NH+]1CCC(C)CC1 ZINC001314952053 1071421791 /nfs/dbraw/zinc/42/17/91/1071421791.db2.gz SPUBOQFPTWXRKY-RBBKRZOGSA-N 1 0 470.662 3.585 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2)c1ccccc1 ZINC001310482169 1071424569 /nfs/dbraw/zinc/42/45/69/1071424569.db2.gz MINOKSCGMYYOOJ-SIKLNZKXSA-N 1 0 453.587 3.888 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001313873241 1071424677 /nfs/dbraw/zinc/42/46/77/1071424677.db2.gz KJQIYGAOJNCWBS-QZTJIDSGSA-N 1 0 456.541 3.833 20 0 JHADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc(F)cc1OCC(F)F ZINC001310484525 1071425234 /nfs/dbraw/zinc/42/52/34/1071425234.db2.gz AWUOBUMYXDLUHZ-UHFFFAOYSA-N 1 0 450.505 3.751 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@@H+]1CCC[C@@H]1C ZINC001314953669 1071425989 /nfs/dbraw/zinc/42/59/89/1071425989.db2.gz XVXZKOIFWJKKKD-CABCVRRESA-N 1 0 497.869 3.664 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001314953682 1071426074 /nfs/dbraw/zinc/42/60/74/1071426074.db2.gz YCUQYWWRZCIXGX-FUHWJXTLSA-N 1 0 491.478 3.566 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2Cc2ccnc(C(F)(F)F)c2)C[C@@H]1C ZINC001313873759 1071426436 /nfs/dbraw/zinc/42/64/36/1071426436.db2.gz MCXKUQPTBRWOKW-IRXDYDNUSA-N 1 0 459.520 3.645 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc3cccnc32)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314955163 1071429331 /nfs/dbraw/zinc/42/93/31/1071429331.db2.gz ZBRNYMCXTNSPOE-XXBNENTESA-N 1 0 477.657 3.822 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001314959077 1071431970 /nfs/dbraw/zinc/43/19/70/1071431970.db2.gz UNMAKGSPCIIIAP-RXVVDRJESA-N 1 0 485.032 3.771 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2Cc2ccccc2)CC1 ZINC001313875047 1071432010 /nfs/dbraw/zinc/43/20/10/1071432010.db2.gz FJVYNOCUNBIFQK-HSZRJFAPSA-N 1 0 452.647 3.750 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CCc2csc(C)n2)C[C@H]1C ZINC001313875256 1071432714 /nfs/dbraw/zinc/43/27/14/1071432714.db2.gz PTOPMDVXUMGJHH-QZTJIDSGSA-N 1 0 454.644 3.804 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001313876559 1071438418 /nfs/dbraw/zinc/43/84/18/1071438418.db2.gz LSOGDCUWONLZHJ-RZUBCFFCSA-N 1 0 489.636 3.919 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001313876673 1071439170 /nfs/dbraw/zinc/43/91/70/1071439170.db2.gz VKOYANVHZYLSJZ-QZTJIDSGSA-N 1 0 453.591 3.610 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2ccc(F)cc2)C[C@@H]1C ZINC001313876872 1071439280 /nfs/dbraw/zinc/43/92/80/1071439280.db2.gz SNYWXXIKQQRFHA-UFYCRDLUSA-N 1 0 452.578 3.789 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3sc(N4CCOCC4)nc3C)nnc2N(C)CC(C)C)CC1 ZINC001313875625 1071435243 /nfs/dbraw/zinc/43/52/43/1071435243.db2.gz BULFXIKWXADSCT-UHFFFAOYSA-N 1 0 475.707 3.761 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001313877858 1071443050 /nfs/dbraw/zinc/44/30/50/1071443050.db2.gz YXIPSOHKRGGTIP-NRFANRHFSA-N 1 0 490.599 3.773 20 0 JHADRO CCN1C[C@H](CN(C)c2nnc(-c3cccn3C)n2C[C@@H](C)[NH+](CC)CC)Oc2ccccc21 ZINC001313878225 1071443824 /nfs/dbraw/zinc/44/38/24/1071443824.db2.gz WSFZMGMPDCFCOX-RTWAWAEBSA-N 1 0 465.646 3.738 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3cccc(Cl)c3)C2)CC1 ZINC001313878162 1071443969 /nfs/dbraw/zinc/44/39/69/1071443969.db2.gz VVQBKCSBABMSGZ-QFIPXVFZSA-N 1 0 489.064 3.770 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCc2ccc(OC)cc2OC)C[C@@H]1C ZINC001313878833 1071446024 /nfs/dbraw/zinc/44/60/24/1071446024.db2.gz ZAFVVLMYBMGSGO-OALUTQOASA-N 1 0 450.587 3.519 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2sccc2C)C[C@@H]1C ZINC001313879104 1071446947 /nfs/dbraw/zinc/44/69/47/1071446947.db2.gz XTNJAQMOZHJGFD-DLBZAZTESA-N 1 0 458.657 3.607 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001313879027 1071447029 /nfs/dbraw/zinc/44/70/29/1071447029.db2.gz XYUSSVVRFOSSGY-GJZGRUSLSA-N 1 0 465.549 3.706 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CC1 ZINC001313879636 1071450636 /nfs/dbraw/zinc/45/06/36/1071450636.db2.gz ILMXVYDSTGSMPL-AUSIDOKSSA-N 1 0 468.646 3.514 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001313880865 1071453121 /nfs/dbraw/zinc/45/31/21/1071453121.db2.gz BFHGLTWBLLGJDO-SFHVURJKSA-N 1 0 464.536 3.511 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001314971739 1071459477 /nfs/dbraw/zinc/45/94/77/1071459477.db2.gz PFVQHTVIAYBBIA-AJTFRIOCSA-N 1 0 466.674 3.538 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313882750 1071459827 /nfs/dbraw/zinc/45/98/27/1071459827.db2.gz GYZUMZLFHGGTOJ-IXDOHACOSA-N 1 0 468.524 3.541 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C)(C)CC2)C1 ZINC001313884409 1071463523 /nfs/dbraw/zinc/46/35/23/1071463523.db2.gz PBVQLCNETUAECS-IBGZPJMESA-N 1 0 459.038 3.830 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@H](C(=O)OC)C2)C1 ZINC001313882997 1071460745 /nfs/dbraw/zinc/46/07/45/1071460745.db2.gz CIVRKPYLSXRJRD-QYZOEREBSA-N 1 0 476.021 3.803 20 0 JHADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314973081 1071461412 /nfs/dbraw/zinc/46/14/12/1071461412.db2.gz LHEAQDLDSFIVEX-CJAUYULYSA-N 1 0 456.610 3.557 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCC(C)(C)C2)C1 ZINC001313883646 1071462124 /nfs/dbraw/zinc/46/21/24/1071462124.db2.gz IYLMPVAFUIZZCL-LJQANCHMSA-N 1 0 459.038 3.830 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2occc2C)C[C@@H]1C ZINC001313884529 1071464301 /nfs/dbraw/zinc/46/43/01/1071464301.db2.gz MHEPIUSPHPLXRI-ZGXWSNOMSA-N 1 0 472.634 3.917 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@H](COC)O[C@@H](C)C2)C1 ZINC001313884728 1071465127 /nfs/dbraw/zinc/46/51/27/1071465127.db2.gz SCGNSSOPVGXRCT-ZVVDCOBXSA-N 1 0 478.037 3.653 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCC[C@H](COC)C2)C1 ZINC001313885254 1071466586 /nfs/dbraw/zinc/46/65/86/1071466586.db2.gz BFARFJINQXGUTB-MSOLQXFVSA-N 1 0 492.462 3.921 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC001313886315 1071470012 /nfs/dbraw/zinc/47/00/12/1071470012.db2.gz RNOOWJIJUJNDCE-LEWJYISDSA-N 1 0 498.672 3.576 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2Cc2ncnn2C(C)(C)C)C[C@@H]1C ZINC001313886343 1071470732 /nfs/dbraw/zinc/47/07/32/1071470732.db2.gz SBKJBKLZCAURPO-RBUKOAKNSA-N 1 0 498.701 3.893 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3F)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001313886763 1071470765 /nfs/dbraw/zinc/47/07/65/1071470765.db2.gz QSGXWXVQDACLKW-HNNXBMFYSA-N 1 0 453.484 3.774 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCCN(C(C)=O)CC2)C1 ZINC001313886556 1071470838 /nfs/dbraw/zinc/47/08/38/1071470838.db2.gz OULUFRODOCUEJQ-HSZRJFAPSA-N 1 0 482.673 3.770 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001313886839 1071471569 /nfs/dbraw/zinc/47/15/69/1071471569.db2.gz BMEDDCAZEABWCM-MSOLQXFVSA-N 1 0 492.462 3.921 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3OC)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C1 ZINC001313886999 1071472276 /nfs/dbraw/zinc/47/22/76/1071472276.db2.gz SAQSARJGORNXME-SBUREZEXSA-N 1 0 481.563 3.825 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC001313887113 1071472456 /nfs/dbraw/zinc/47/24/56/1071472456.db2.gz SYGRSQLKZDDTQL-IGGJEDBVSA-N 1 0 481.563 3.988 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@H](CC(N)=O)C2)C1 ZINC001313887950 1071473245 /nfs/dbraw/zinc/47/32/45/1071473245.db2.gz DYPWLRXUBUUUMH-HZPDHXFCSA-N 1 0 465.429 3.686 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313887847 1071474205 /nfs/dbraw/zinc/47/42/05/1071474205.db2.gz LILUYRNWXHSCQC-TZIWHRDSSA-N 1 0 489.064 3.968 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001314978307 1071475746 /nfs/dbraw/zinc/47/57/46/1071475746.db2.gz AQNZNMOHXFFOKJ-SXSPYAJSSA-N 1 0 482.673 3.675 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)C1 ZINC001313889577 1071480678 /nfs/dbraw/zinc/48/06/78/1071480678.db2.gz IILGHWJDEPBPAW-GOTSBHOMSA-N 1 0 496.700 3.947 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CC[C@H](C)[C@@H](OC)C2)C1 ZINC001313888286 1071476909 /nfs/dbraw/zinc/47/69/09/1071476909.db2.gz BGADJLGBXCRASE-ZJOUEHCJSA-N 1 0 459.660 3.782 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCSC2)C[C@@H]1C ZINC001313888684 1071478222 /nfs/dbraw/zinc/47/82/22/1071478222.db2.gz XHRGLYPGZKVZPO-SFYKDHMMSA-N 1 0 461.701 3.666 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC[C@@H](CCOC)C2)C1 ZINC001313889726 1071481569 /nfs/dbraw/zinc/48/15/69/1071481569.db2.gz UOBYWHNTEAUINA-SFTDATJTSA-N 1 0 490.693 3.597 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC[N@H+](CC)C2)CC1=O ZINC001313890156 1071482263 /nfs/dbraw/zinc/48/22/63/1071482263.db2.gz MMXNASLDPOAUKP-HXUWFJFHSA-N 1 0 452.647 3.643 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001313890992 1071483738 /nfs/dbraw/zinc/48/37/38/1071483738.db2.gz RQQUHNIHKFRGGB-VIZSFHNOSA-N 1 0 455.647 3.704 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001313890998 1071483753 /nfs/dbraw/zinc/48/37/53/1071483753.db2.gz RVJFYIQKQFSEEH-LJQANCHMSA-N 1 0 464.630 3.608 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)C1 ZINC001313891190 1071484578 /nfs/dbraw/zinc/48/45/78/1071484578.db2.gz UJAUGJDXDNEPPW-GOTSBHOMSA-N 1 0 496.700 3.947 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H](C(F)F)C2)C1 ZINC001313891146 1071484723 /nfs/dbraw/zinc/48/47/23/1071484723.db2.gz SWDJQWBZUGQKPI-ZSYWTGECSA-N 1 0 482.620 3.872 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H](C)C(=O)NC ZINC001313892261 1071486907 /nfs/dbraw/zinc/48/69/07/1071486907.db2.gz CZIMUSCPRPNSKP-IRFCIJBXSA-N 1 0 491.080 3.991 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC001313892128 1071486353 /nfs/dbraw/zinc/48/63/53/1071486353.db2.gz KGFFPGBXYJIBCS-KRWDZBQOSA-N 1 0 460.529 3.861 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C)[C@@H](OC)C2)C1 ZINC001313893891 1071491837 /nfs/dbraw/zinc/49/18/37/1071491837.db2.gz QBEOZINQHOFRJW-KJJMTIBFSA-N 1 0 490.693 3.596 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001313893594 1071490945 /nfs/dbraw/zinc/49/09/45/1071490945.db2.gz OSUPDEJPTUXGPC-JYRKZWEQSA-N 1 0 463.648 3.514 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(OC)cc2OC)C1 ZINC001313894055 1071492555 /nfs/dbraw/zinc/49/25/55/1071492555.db2.gz FYFFFFLIAKLTNU-IBGZPJMESA-N 1 0 455.628 3.926 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CCCCO)C1CC1 ZINC001313894969 1071495720 /nfs/dbraw/zinc/49/57/20/1071495720.db2.gz XYXZVUABOZHSKY-FQEVSTJZSA-N 1 0 462.436 3.933 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001313895281 1071496331 /nfs/dbraw/zinc/49/63/31/1071496331.db2.gz ZMUGBGVCEHTOQS-BAGYTPMASA-N 1 0 488.702 3.695 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313895293 1071496394 /nfs/dbraw/zinc/49/63/94/1071496394.db2.gz ZPIBMGUXVPLBMR-ADYITMSISA-N 1 0 488.652 3.587 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCC[C@@H](COC)C2)C1 ZINC001313895553 1071497252 /nfs/dbraw/zinc/49/72/52/1071497252.db2.gz AAYNZIYDHOBIFK-BDTNDASRSA-N 1 0 490.693 3.945 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001313895850 1071497954 /nfs/dbraw/zinc/49/79/54/1071497954.db2.gz KWCJSYWYBRVCRW-WHUARKNTSA-N 1 0 473.046 3.852 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(N3CCN(Cc4cc(C)ccc4OC)CC3)nnc2C(C)(C)C)C1 ZINC001313896044 1071498616 /nfs/dbraw/zinc/49/86/16/1071498616.db2.gz CIFWTOQTPZDRBW-OAQYLSRUSA-N 1 0 454.663 3.557 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC001314987313 1071498919 /nfs/dbraw/zinc/49/89/19/1071498919.db2.gz XQCPUTGFFVHLRG-QWFCFKBJSA-N 1 0 458.676 3.683 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001313896635 1071500147 /nfs/dbraw/zinc/50/01/47/1071500147.db2.gz PGTHEENDGWAIFO-PZJWPPBQSA-N 1 0 457.619 3.698 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313897556 1071502738 /nfs/dbraw/zinc/50/27/38/1071502738.db2.gz YMCDRBJOODAYDF-OALUTQOASA-N 1 0 458.607 3.824 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313897558 1071502784 /nfs/dbraw/zinc/50/27/84/1071502784.db2.gz YMCDRBJOODAYDF-RTBURBONSA-N 1 0 458.607 3.824 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001313897987 1071504350 /nfs/dbraw/zinc/50/43/50/1071504350.db2.gz ZOHZNNJHQACLTL-PKOBYXMFSA-N 1 0 451.537 3.998 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001314992394 1071508631 /nfs/dbraw/zinc/50/86/31/1071508631.db2.gz WVKLUFVSVOIPOH-QFIPXVFZSA-N 1 0 487.092 3.997 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC001313899105 1071507334 /nfs/dbraw/zinc/50/73/34/1071507334.db2.gz GIYSYSZNOXIPNI-RTBURBONSA-N 1 0 479.572 3.903 20 0 JHADRO CCn1nc(-c2nnc(N(C)[C@H](C)CCSC)n2C[C@H]2CCC[N@@H+]2CC)c2ccccc2c1=O ZINC001313900325 1071509634 /nfs/dbraw/zinc/50/96/34/1071509634.db2.gz ANZLFJOWWYSYJY-RTBURBONSA-N 1 0 483.686 3.737 20 0 JHADRO CCn1nc(-c2nnc(N(C)[C@@H](C)CCSC)n2C[C@@H]2CCC[N@@H+]2CC)c2ccccc2c1=O ZINC001313900320 1071509654 /nfs/dbraw/zinc/50/96/54/1071509654.db2.gz ANZLFJOWWYSYJY-OALUTQOASA-N 1 0 483.686 3.737 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001314993146 1071509884 /nfs/dbraw/zinc/50/98/84/1071509884.db2.gz FVPRPTUPXIDBRR-DHIUTWEWSA-N 1 0 482.673 3.557 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313900785 1071510177 /nfs/dbraw/zinc/51/01/77/1071510177.db2.gz PHCCMJTVXTUJPN-JTHBVZDNSA-N 1 0 487.092 3.995 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001314994688 1071511575 /nfs/dbraw/zinc/51/15/75/1071511575.db2.gz NVASDWWNFBZTMQ-UXHICEINSA-N 1 0 482.673 3.600 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313901991 1071512408 /nfs/dbraw/zinc/51/24/08/1071512408.db2.gz VOJOZLSHPUNNCK-FPOVZHCZSA-N 1 0 494.606 3.629 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 ZINC001313902582 1071513312 /nfs/dbraw/zinc/51/33/12/1071513312.db2.gz GQRTUOBXIVEQSD-UNMCSNQZSA-N 1 0 451.619 3.830 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)C[C@@H]1CCCOC1 ZINC001313902343 1071513596 /nfs/dbraw/zinc/51/35/96/1071513596.db2.gz GFKYCAJGGRWZSV-PMACEKPBSA-N 1 0 459.660 3.926 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001313904746 1071519989 /nfs/dbraw/zinc/51/99/89/1071519989.db2.gz LMSYIUIWYAWKBN-NJDAHSKKSA-N 1 0 451.656 3.660 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001313903649 1071516095 /nfs/dbraw/zinc/51/60/95/1071516095.db2.gz DATYICUAYYESBR-SFHLNBCPSA-N 1 0 459.660 3.705 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313903880 1071516807 /nfs/dbraw/zinc/51/68/07/1071516807.db2.gz FKKSNTUAKQIXLB-UGKGYDQZSA-N 1 0 486.636 3.784 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001313904211 1071517293 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/nfs/dbraw/zinc/61/08/41/1071610841.db2.gz MBBWRLTXJKZHRV-JTHBVZDNSA-N 1 0 498.672 3.782 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCOC)C[C@H]1C ZINC001313937381 1071610947 /nfs/dbraw/zinc/61/09/47/1071610947.db2.gz LWBHQMKKXUMBOE-NHCUHLMSSA-N 1 0 478.682 3.740 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCOc2ncccc2F)C[C@@H]1C ZINC001313943236 1071622008 /nfs/dbraw/zinc/62/20/08/1071622008.db2.gz QMIBEMIPRWCOJC-FQEVSTJZSA-N 1 0 468.577 3.617 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313941958 1071618960 /nfs/dbraw/zinc/61/89/60/1071618960.db2.gz FRIPOHLGZCCAQJ-NHCUHLMSSA-N 1 0 486.661 3.918 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001313942644 1071620783 /nfs/dbraw/zinc/62/07/83/1071620783.db2.gz JOABDOGGDOEKID-JTHBVZDNSA-N 1 0 498.716 3.688 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC001313942592 1071620837 /nfs/dbraw/zinc/62/08/37/1071620837.db2.gz KSDDBHXEDHLDDF-FQEVSTJZSA-N 1 0 466.655 3.774 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(OCC(C)C)c2)C[C@@H]1C ZINC001313943638 1071623844 /nfs/dbraw/zinc/62/38/44/1071623844.db2.gz UHFRNFJTQZJWSY-SSPYTLHUSA-N 1 0 471.646 3.616 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccccc4C)n3CC(C)(C)CCOC)C2)CC1 ZINC001313944908 1071625599 /nfs/dbraw/zinc/62/55/99/1071625599.db2.gz IUMJRXDBLDCRAS-JOCHJYFZSA-N 1 0 454.663 3.532 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C)cc3SC)C2)CC1 ZINC001313946711 1071629960 /nfs/dbraw/zinc/62/99/60/1071629960.db2.gz FCXNSAVMTRNQPD-QFIPXVFZSA-N 1 0 456.704 3.771 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313947303 1071630920 /nfs/dbraw/zinc/63/09/20/1071630920.db2.gz VTZRGVSPCOEVFS-HXUWFJFHSA-N 1 0 486.661 3.713 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3CCC=C(C)C)C2)CC1 ZINC001313947566 1071632229 /nfs/dbraw/zinc/63/22/29/1071632229.db2.gz BFZXCRZHOGMWPF-FQEVSTJZSA-N 1 0 458.601 3.720 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(F)(F)Br)C[C@@H]1C ZINC001313947518 1071632292 /nfs/dbraw/zinc/63/22/92/1071632292.db2.gz HVTFILUGUPQJNF-RRFJBIMHSA-N 1 0 464.399 3.715 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001313950666 1071639369 /nfs/dbraw/zinc/63/93/69/1071639369.db2.gz BUFKIKOQXBYWTB-XXBNENTESA-N 1 0 490.643 3.705 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cc(F)ccc3SC)C2)CC1 ZINC001313949499 1071636477 /nfs/dbraw/zinc/63/64/77/1071636477.db2.gz YUCSKCPQDGWXJE-OAQYLSRUSA-N 1 0 474.694 3.992 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3)nnc2N(C)Cc2scnc2C)CC1 ZINC001313949794 1071637046 /nfs/dbraw/zinc/63/70/46/1071637046.db2.gz JYPYDEYLILPALK-LJQANCHMSA-N 1 0 453.660 3.620 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCCCCC2)C[C@H]1C ZINC001313950438 1071638257 /nfs/dbraw/zinc/63/82/57/1071638257.db2.gz VXGSSGJUTKRRSG-RTWAWAEBSA-N 1 0 490.693 3.966 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(COc4cccc(C)c4)n3CCSC(F)(F)F)C2)CC1 ZINC001313950574 1071638775 /nfs/dbraw/zinc/63/87/75/1071638775.db2.gz WAOMNBIBKAMPSD-IBGZPJMESA-N 1 0 498.619 3.635 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313950821 1071640030 /nfs/dbraw/zinc/64/00/30/1071640030.db2.gz XOVSPTZGVUGRPD-OAHLLOKOSA-N 1 0 496.559 3.920 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313952313 1071645081 /nfs/dbraw/zinc/64/50/81/1071645081.db2.gz DOWVYCPWPDTMIR-KRWDZBQOSA-N 1 0 475.563 3.601 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)c2nccs2)C[C@@H]1C ZINC001313951131 1071640541 /nfs/dbraw/zinc/64/05/41/1071640541.db2.gz ZSSSYCFASAMUTR-CADBVGFASA-N 1 0 489.690 3.839 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001313951279 1071641239 /nfs/dbraw/zinc/64/12/39/1071641239.db2.gz SMSRYCFDNIEOCA-JOCHJYFZSA-N 1 0 488.124 3.651 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001313952333 1071645216 /nfs/dbraw/zinc/64/52/16/1071645216.db2.gz ZCTKYJFILHNHTA-ACRUOGEOSA-N 1 0 491.080 3.570 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C2CC2)CC1 ZINC001313951719 1071643070 /nfs/dbraw/zinc/64/30/70/1071643070.db2.gz VMBGLQDNCNFZJF-RBUKOAKNSA-N 1 0 461.054 3.944 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001313951663 1071643100 /nfs/dbraw/zinc/64/31/00/1071643100.db2.gz ATYMSHGLTRXPFH-VXKWHMMOSA-N 1 0 458.695 3.628 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001313952582 1071646486 /nfs/dbraw/zinc/64/64/86/1071646486.db2.gz GPLDUGCHIFYMEC-HXUWFJFHSA-N 1 0 470.065 3.847 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001313952999 1071647014 /nfs/dbraw/zinc/64/70/14/1071647014.db2.gz CYGOPYPOPJMKBG-FQEVSTJZSA-N 1 0 461.054 3.631 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)C2CCC2)CC1 ZINC001313953365 1071648276 /nfs/dbraw/zinc/64/82/76/1071648276.db2.gz YCMASCWHJWKJGA-IBGZPJMESA-N 1 0 461.054 3.773 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)Cc2cccs2)CC1 ZINC001313954272 1071651260 /nfs/dbraw/zinc/65/12/60/1071651260.db2.gz MSQINPCKBNMJFO-HXUWFJFHSA-N 1 0 468.671 3.925 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCN(c3cccs3)CC2)CC1 ZINC001313954370 1071651322 /nfs/dbraw/zinc/65/13/22/1071651322.db2.gz PGJGFYFGGRDUHD-UHFFFAOYSA-N 1 0 473.735 3.673 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001313954216 1071650696 /nfs/dbraw/zinc/65/06/96/1071650696.db2.gz OUIJUAAUVZZJHZ-QHCPKHFHSA-N 1 0 453.679 3.554 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cccc(F)c2)CC1 ZINC001313955780 1071656778 /nfs/dbraw/zinc/65/67/78/1071656778.db2.gz IKVMXAXOKVDOBN-LJQANCHMSA-N 1 0 485.677 3.683 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001313954723 1071652493 /nfs/dbraw/zinc/65/24/93/1071652493.db2.gz PECOEJLSHWZRMC-SFTDATJTSA-N 1 0 475.081 3.877 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001313955006 1071653673 /nfs/dbraw/zinc/65/36/73/1071653673.db2.gz DEMAGBCUGPLEJF-NOZRDPDXSA-N 1 0 498.716 3.690 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313955161 1071654151 /nfs/dbraw/zinc/65/41/51/1071654151.db2.gz FVZVQVHKUGHKKN-BJKOFHAPSA-N 1 0 498.716 3.751 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001313955924 1071656618 /nfs/dbraw/zinc/65/66/18/1071656618.db2.gz WEKCRGUPQIFGNV-FPOVZHCZSA-N 1 0 494.606 3.711 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001313956617 1071657955 /nfs/dbraw/zinc/65/79/55/1071657955.db2.gz ZBHYDXPASZRLNP-OAQYLSRUSA-N 1 0 477.657 3.567 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccn3C)nnc2N(C)CCc2ccc(Cl)cc2)CC1 ZINC001313958027 1071662509 /nfs/dbraw/zinc/66/25/09/1071662509.db2.gz NLPGZPSUHZLBFL-UHFFFAOYSA-N 1 0 470.065 3.644 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(C)n3)nnc2N2CCSC(CC)(CC)C2)CC1 ZINC001313956697 1071658159 /nfs/dbraw/zinc/65/81/59/1071658159.db2.gz JEBMGLJGBOMOBE-UHFFFAOYSA-N 1 0 471.719 3.788 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313957247 1071659500 /nfs/dbraw/zinc/65/95/00/1071659500.db2.gz PYRZAQPIAZCPJO-FGZHOGPDSA-N 1 0 490.643 3.921 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC001313957373 1071660107 /nfs/dbraw/zinc/66/01/07/1071660107.db2.gz UIIJKXLSCJYDIV-XMMPIXPASA-N 1 0 468.690 3.862 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313957648 1071661198 /nfs/dbraw/zinc/66/11/98/1071661198.db2.gz REIHMPNYTFTFHA-GOSISDBHSA-N 1 0 467.008 3.641 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313958232 1071663517 /nfs/dbraw/zinc/66/35/17/1071663517.db2.gz QTZGZHMTQFKHSK-FQEVSTJZSA-N 1 0 460.070 3.894 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001313958836 1071665177 /nfs/dbraw/zinc/66/51/77/1071665177.db2.gz YGUMXVDQCFRRPF-WIOPSUGQSA-N 1 0 498.716 3.609 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001313958838 1071665220 /nfs/dbraw/zinc/66/52/20/1071665220.db2.gz YIHQRABJXGPRMC-LEWJYISDSA-N 1 0 467.687 3.796 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001313959824 1071668041 /nfs/dbraw/zinc/66/80/41/1071668041.db2.gz BICOWXJVGCTRMU-UHFFFAOYSA-N 1 0 491.109 3.519 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3C)nnc2N(C)Cc2ccsc2)CC1 ZINC001313959849 1071668107 /nfs/dbraw/zinc/66/81/07/1071668107.db2.gz BOAOLADPBMJVQB-UHFFFAOYSA-N 1 0 452.672 3.903 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313960657 1071670532 /nfs/dbraw/zinc/67/05/32/1071670532.db2.gz MZLNGBGBADWYIN-SFTDATJTSA-N 1 0 488.652 3.589 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@H]3OCC[C@H]3COC)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001313960665 1071670543 /nfs/dbraw/zinc/67/05/43/1071670543.db2.gz NHSAYOGLWOZLNT-UPVQGACJSA-N 1 0 488.721 3.602 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313961029 1071671624 /nfs/dbraw/zinc/67/16/24/1071671624.db2.gz PDLRVDFHCFTUJB-JOCHJYFZSA-N 1 0 484.689 3.766 20 0 JHADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001313961938 1071673490 /nfs/dbraw/zinc/67/34/90/1071673490.db2.gz XBIVUHSFCGMPDY-UHFFFAOYSA-N 1 0 470.637 3.668 20 0 JHADRO CCn1nc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001313964197 1071680085 /nfs/dbraw/zinc/68/00/85/1071680085.db2.gz XYZFQKTXZUNCQZ-SFHVURJKSA-N 1 0 463.630 3.808 20 0 JHADRO CCn1nc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCOCCC(C)C)c2ccccc2c1=O ZINC001313967659 1071689734 /nfs/dbraw/zinc/68/97/34/1071689734.db2.gz QJMFUZOOTLSDJQ-UHFFFAOYSA-N 1 0 495.672 3.658 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001313998905 1071735619 /nfs/dbraw/zinc/73/56/19/1071735619.db2.gz DZTHJQKQCJJJGH-UHFFFAOYSA-N 1 0 499.704 3.728 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001314008724 1071745175 /nfs/dbraw/zinc/74/51/75/1071745175.db2.gz OOERZTVNOZKTAR-LJQANCHMSA-N 1 0 490.624 3.955 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001314012571 1071748329 /nfs/dbraw/zinc/74/83/29/1071748329.db2.gz KPQJCNAKFDTJJL-YADHBBJMSA-N 1 0 490.693 3.884 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001314014666 1071754512 /nfs/dbraw/zinc/75/45/12/1071754512.db2.gz SHRAKOVYQDETTO-NHCUHLMSSA-N 1 0 498.672 3.890 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001314016118 1071758636 /nfs/dbraw/zinc/75/86/36/1071758636.db2.gz JAPUMJUCVGOOKS-UHFFFAOYSA-N 1 0 486.661 3.810 20 0 JHADRO CCOC(=O)N1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001314017598 1071763686 /nfs/dbraw/zinc/76/36/86/1071763686.db2.gz RVIWYATVJYVFIM-NRFANRHFSA-N 1 0 454.619 3.583 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001314018389 1071765127 /nfs/dbraw/zinc/76/51/27/1071765127.db2.gz MNCTVSABZUNIEW-NRFANRHFSA-N 1 0 483.661 3.586 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001314019592 1071768889 /nfs/dbraw/zinc/76/88/89/1071768889.db2.gz YGHSPFSHOUUQHH-UHFFFAOYSA-N 1 0 482.673 3.996 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001314019802 1071769491 /nfs/dbraw/zinc/76/94/91/1071769491.db2.gz MCXIGUBBFZYVSI-IBGZPJMESA-N 1 0 476.025 3.537 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(C3CCC3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001314019817 1071769513 /nfs/dbraw/zinc/76/95/13/1071769513.db2.gz GYDCFGWBKSXWAV-HXUWFJFHSA-N 1 0 454.619 3.735 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001314022700 1071776262 /nfs/dbraw/zinc/77/62/62/1071776262.db2.gz OBVFVXCFPXQLCY-HXUWFJFHSA-N 1 0 474.675 3.864 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314022446 1071776377 /nfs/dbraw/zinc/77/63/77/1071776377.db2.gz LXFRMSLJMTVFOG-PKTZIBPZSA-N 1 0 482.673 3.852 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001314023070 1071777557 /nfs/dbraw/zinc/77/75/57/1071777557.db2.gz HXPYIEMMGVBKPZ-QHCPKHFHSA-N 1 0 498.672 3.874 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001314023426 1071779151 /nfs/dbraw/zinc/77/91/51/1071779151.db2.gz FPMDEIYUXBZWIJ-HSZRJFAPSA-N 1 0 498.672 3.818 20 0 JHADRO 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CCc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCCC[NH+]2CCCCC2)cc1 ZINC001305938204 1068243964 /nfs/dbraw/zinc/24/39/64/1068243964.db2.gz VWDKYPPVPIOVGT-QHCPKHFHSA-N 1 0 473.687 3.787 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001305939823 1068247624 /nfs/dbraw/zinc/24/76/24/1068247624.db2.gz UBEOPJUMDFWXSC-VWLOTQADSA-N 1 0 473.687 3.641 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(c4cccnn4)CC3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001305945925 1068260205 /nfs/dbraw/zinc/26/02/05/1068260205.db2.gz YNXVQTHWNZUMTG-UHFFFAOYSA-N 1 0 462.646 3.743 20 0 JHADRO CCc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC001305946252 1068261268 /nfs/dbraw/zinc/26/12/68/1068261268.db2.gz QZRSOBKMFCSTJC-RUZDIDTESA-N 1 0 496.700 3.703 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CC(F)(F)Br)cc1 ZINC001305947296 1068263835 /nfs/dbraw/zinc/26/38/35/1068263835.db2.gz CHCIOJVHHZWTIZ-GOSISDBHSA-N 1 0 484.389 3.796 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(Cc4cc(C)no4)CC3)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001305948801 1068270457 /nfs/dbraw/zinc/27/04/57/1068270457.db2.gz XXORXWQZBHJSIQ-OAQYLSRUSA-N 1 0 465.646 3.856 20 0 JHADRO CCc1ccc(-c2nnc(N3CCNC(=O)[C@@H]3CC)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001305948939 1068271078 /nfs/dbraw/zinc/27/10/78/1068271078.db2.gz DYTYWWQUBMLFAZ-GOTSBHOMSA-N 1 0 452.647 3.733 20 0 JHADRO CCc1ccc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[C@H](C)[NH+]3CCCCC3)CCO2)cc1 ZINC001305953246 1068278791 /nfs/dbraw/zinc/27/87/91/1068278791.db2.gz GLLXCDJYYYXWLG-XUZZJYLKSA-N 1 0 482.673 3.821 20 0 JHADRO CCc1ccccc1NC(=O)CN(C)c1nnc(C)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001305972576 1068307801 /nfs/dbraw/zinc/30/78/01/1068307801.db2.gz WMDRZJGKLOAWSA-UHFFFAOYSA-N 1 0 468.646 3.647 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001305979125 1068321060 /nfs/dbraw/zinc/32/10/60/1068321060.db2.gz LAQWGGBOUJDNAF-QHCPKHFHSA-N 1 0 482.673 3.502 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCC(C)(COC)CC2)n1CC[NH+]1CCSCC1 ZINC001305981199 1068325018 /nfs/dbraw/zinc/32/50/18/1068325018.db2.gz KZXNCDSKBIFUSA-UHFFFAOYSA-N 1 0 473.687 3.721 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H]2C)n1CCCN1CC[NH+](CC)CC1 ZINC001305982735 1068328801 /nfs/dbraw/zinc/32/88/01/1068328801.db2.gz UXXGZQWSSZTPLH-YADHBBJMSA-N 1 0 454.663 3.682 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@H](COC)O[C@@H](C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305983795 1068331065 /nfs/dbraw/zinc/33/10/65/1068331065.db2.gz QNSSJWWQGVQMOI-FJIJXJHWSA-N 1 0 485.673 3.780 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305984677 1068332511 /nfs/dbraw/zinc/33/25/11/1068332511.db2.gz HGXCGRJKXBGDJY-DEOSSOPVSA-N 1 0 482.673 3.599 20 0 JHADRO CCc1noc(C)c1Cn1c(COc2ccccc2CC)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001305984669 1068332666 /nfs/dbraw/zinc/33/26/66/1068332666.db2.gz AADAIESKTNYOEY-SFHVURJKSA-N 1 0 452.603 3.857 20 0 JHADRO CCc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CCNC(=O)C(C)(C)C ZINC001305984953 1068333844 /nfs/dbraw/zinc/33/38/44/1068333844.db2.gz UNWBRCYLMGATDW-VQTJNVASSA-N 1 0 470.662 3.501 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CCC[NH+]1CCCCC1 ZINC001305985912 1068336704 /nfs/dbraw/zinc/33/67/04/1068336704.db2.gz RGGUXPYOFFZKEP-UHFFFAOYSA-N 1 0 496.700 3.990 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305988497 1068345476 /nfs/dbraw/zinc/34/54/76/1068345476.db2.gz AXTGOWYAHXPJAT-SFTDATJTSA-N 1 0 487.714 3.985 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1C[C@@H]1CCCSC1 ZINC001305989723 1068348689 /nfs/dbraw/zinc/34/86/89/1068348689.db2.gz RXNYSSXNJDVFBM-RTWAWAEBSA-N 1 0 473.687 3.720 20 0 JHADRO CCc1cnc(CCn2c(CC(C)C)nnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)s1 ZINC001305991907 1068352996 /nfs/dbraw/zinc/35/29/96/1068352996.db2.gz GXPCWGDKUUJZBP-YADARESESA-N 1 0 484.718 3.991 20 0 JHADRO CCc1cnc(CCn2c(Cc3csc(C)n3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001305992981 1068354114 /nfs/dbraw/zinc/35/41/14/1068354114.db2.gz RUIUSAUBNMKMFC-UHFFFAOYSA-N 1 0 459.689 3.816 20 0 JHADRO CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)s1 ZINC001306002386 1068376122 /nfs/dbraw/zinc/37/61/22/1068376122.db2.gz LCIYOVCBHNBMSI-WMZOPIPTSA-N 1 0 456.664 3.935 20 0 JHADRO CCc1nc(C)c(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)o1 ZINC001306008614 1068389081 /nfs/dbraw/zinc/38/90/81/1068389081.db2.gz OMLZWYHZVOUPKZ-UHFFFAOYSA-N 1 0 468.602 3.790 20 0 JHADRO CCc1nc(C)c(Cn2c(COc3ccc(F)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)o1 ZINC001306013216 1068395969 /nfs/dbraw/zinc/39/59/69/1068395969.db2.gz AVSFHXGAUDGJJZ-UHFFFAOYSA-N 1 0 456.566 3.870 20 0 JHADRO CCc1nc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)C[NH+]2CCOCC2)cs1 ZINC001306029338 1068427698 /nfs/dbraw/zinc/42/76/98/1068427698.db2.gz MPDYKUZPZPGDLA-MRXNPFEDSA-N 1 0 476.050 3.617 20 0 JHADRO CCc1nc(CN(C)c2nnc([C@@H]3CCOC3)n2Cc2cccc(C[N@@H+](C)CC)c2)cs1 ZINC001306031379 1068432116 /nfs/dbraw/zinc/43/21/16/1068432116.db2.gz FIHWQGOQWKRXPO-HXUWFJFHSA-N 1 0 454.644 3.937 20 0 JHADRO CCc1nc(CN2CCN(c3nnc(CC)n3C[C@H](C)[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC001306041522 1068456639 /nfs/dbraw/zinc/45/66/39/1068456639.db2.gz SGBSHKAUCLTAHX-FQEVSTJZSA-N 1 0 467.687 3.702 20 0 JHADRO CCc1nn(C)c(CC)c1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001306048126 1068472766 /nfs/dbraw/zinc/47/27/66/1068472766.db2.gz YLJWBMUIJZWZQG-UHFFFAOYSA-N 1 0 467.637 3.835 20 0 JHADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(C(C)C)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001306048552 1068474630 /nfs/dbraw/zinc/47/46/30/1068474630.db2.gz TYEHTPFSOLYWDY-HXUWFJFHSA-N 1 0 491.128 3.938 20 0 JHADRO CCc1nnc(Cn2c(-c3ccc(Br)s3)nnc2N2CC[NH+](C(C)C)CC2)s1 ZINC001306054211 1068491571 /nfs/dbraw/zinc/49/15/71/1068491571.db2.gz QNNBHRPWDCOTSH-UHFFFAOYSA-N 1 0 482.477 3.762 20 0 JHADRO CCc1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001306060801 1068499453 /nfs/dbraw/zinc/49/94/53/1068499453.db2.gz DHKPRARVWYWKFB-GOSISDBHSA-N 1 0 469.584 3.901 20 0 JHADRO CCc1nnc(Cn2c(CSc3ccc(C)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)s1 ZINC001306061569 1068501064 /nfs/dbraw/zinc/50/10/64/1068501064.db2.gz TYNDRUJINSLMOL-QGZVFWFLSA-N 1 0 457.673 3.871 20 0 JHADRO CCc1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001306063299 1068502519 /nfs/dbraw/zinc/50/25/19/1068502519.db2.gz IOVPWNMXNHIBFC-PXNSSMCTSA-N 1 0 488.683 3.584 20 0 JHADRO CCc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001306063300 1068502663 /nfs/dbraw/zinc/50/26/63/1068502663.db2.gz IOVPWNMXNHIBFC-XLIONFOSSA-N 1 0 488.683 3.584 20 0 JHADRO CCc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001306063442 1068502673 /nfs/dbraw/zinc/50/26/73/1068502673.db2.gz BCPSIMYHTRVVAZ-XLIONFOSSA-N 1 0 481.458 3.776 20 0 JHADRO CCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001306070994 1068505658 /nfs/dbraw/zinc/50/56/58/1068505658.db2.gz OEUUQSASURVSDM-CTNGQTDRSA-N 1 0 456.635 3.712 20 0 JHADRO CCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001306071704 1068506461 /nfs/dbraw/zinc/50/64/61/1068506461.db2.gz XMANQJOYLYGTFF-FQEVSTJZSA-N 1 0 474.531 3.936 20 0 JHADRO CCc1nnc(N(C)Cc2cccc(Br)c2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001306079741 1068510213 /nfs/dbraw/zinc/51/02/13/1068510213.db2.gz VPMGZVKRIVSRAP-UHFFFAOYSA-N 1 0 463.468 3.657 20 0 JHADRO CCc1nnc(N(C)Cc2ccccc2Br)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001306080614 1068510932 /nfs/dbraw/zinc/51/09/32/1068510932.db2.gz OEACBBABLXSAPM-UHFFFAOYSA-N 1 0 498.473 3.825 20 0 JHADRO CCc1nnc(N(CC)Cc2ccc(F)cc2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001306096314 1068516357 /nfs/dbraw/zinc/51/63/57/1068516357.db2.gz IFTKHUQCTOWGBR-UHFFFAOYSA-N 1 0 451.594 3.591 20 0 JHADRO CCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001306092728 1068516429 /nfs/dbraw/zinc/51/64/29/1068516429.db2.gz OUZIWYOPOWXTOS-GBXCKJPGSA-N 1 0 480.661 3.714 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001306119180 1068527200 /nfs/dbraw/zinc/52/72/00/1068527200.db2.gz VWUCFPIGNDKGGL-HSZRJFAPSA-N 1 0 470.637 3.948 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001306119376 1068527440 /nfs/dbraw/zinc/52/74/40/1068527440.db2.gz CHGWISWZQIMMSA-UHFFFAOYSA-N 1 0 472.653 3.940 20 0 JHADRO CCc1nnc(N2CCC(c3nccs3)CC2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001306128994 1068533364 /nfs/dbraw/zinc/53/33/64/1068533364.db2.gz APLBEPSENYKCFP-UHFFFAOYSA-N 1 0 454.644 3.864 20 0 JHADRO CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306134533 1068537498 /nfs/dbraw/zinc/53/74/98/1068537498.db2.gz OTJOWQGPXJQNFF-NHCUHLMSSA-N 1 0 458.695 3.874 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001306143262 1068545518 /nfs/dbraw/zinc/54/55/18/1068545518.db2.gz GJVUZWQJYPRVPW-HXUWFJFHSA-N 1 0 459.683 3.706 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001306143597 1068546095 /nfs/dbraw/zinc/54/60/95/1068546095.db2.gz GVPVNOQWOHJHEW-FQEVSTJZSA-N 1 0 460.598 3.776 20 0 JHADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001306144373 1068546894 /nfs/dbraw/zinc/54/68/94/1068546894.db2.gz QCUZGRNEOUVBGF-QFIPXVFZSA-N 1 0 468.646 3.978 20 0 JHADRO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@H+](C)C1CCCC1 ZINC001306157754 1068555854 /nfs/dbraw/zinc/55/58/54/1068555854.db2.gz QVYPACHWVPLEJC-KRWDZBQOSA-N 1 0 460.026 3.618 20 0 JHADRO CCc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001306162569 1068558004 /nfs/dbraw/zinc/55/80/04/1068558004.db2.gz UZASQEGIESSVRM-DYXWJJEUSA-N 1 0 460.667 3.987 20 0 JHADRO CCc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001306165332 1068560658 /nfs/dbraw/zinc/56/06/58/1068560658.db2.gz PLXYDRKODZDEMQ-FYYLOGMGSA-N 1 0 452.647 3.607 20 0 JHADRO CCc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001306166511 1068562712 /nfs/dbraw/zinc/56/27/12/1068562712.db2.gz WWRFLVWYTLISQB-IRLDBZIGSA-N 1 0 454.663 3.740 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001306179323 1068569053 /nfs/dbraw/zinc/56/90/53/1068569053.db2.gz JQERCYMNNGXBNU-NRFANRHFSA-N 1 0 461.054 3.823 20 0 JHADRO CCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCc1c(OC)cc(OC)cc1OC ZINC001306180103 1068571294 /nfs/dbraw/zinc/57/12/94/1068571294.db2.gz GGWRICGEKPRFPE-UHFFFAOYSA-N 1 0 457.619 3.564 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001306184349 1068574934 /nfs/dbraw/zinc/57/49/34/1068574934.db2.gz AVBZDWAUTDHKPC-FQEVSTJZSA-N 1 0 458.676 3.683 20 0 JHADRO CCc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001306186324 1068577617 /nfs/dbraw/zinc/57/76/17/1068577617.db2.gz SKNYXRQCOVGYRW-JOCHJYFZSA-N 1 0 466.674 3.980 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001306187179 1068578348 /nfs/dbraw/zinc/57/83/48/1068578348.db2.gz BTHUGADWWOSPQG-NRFANRHFSA-N 1 0 468.646 3.810 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC001306191698 1068583035 /nfs/dbraw/zinc/58/30/35/1068583035.db2.gz PVZZLQBJTBBXNB-MRXNPFEDSA-N 1 0 454.571 3.808 20 0 JHADRO CCc1nnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001306207396 1068598462 /nfs/dbraw/zinc/59/84/62/1068598462.db2.gz KVSGEQWWKAFNSA-UHFFFAOYSA-N 1 0 465.646 3.658 20 0 JHADRO CCc1nnc(N2CCN(CCOC(C)C)CC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001306208691 1068599797 /nfs/dbraw/zinc/59/97/97/1068599797.db2.gz FHJZVCWXAOXCAL-VWLOTQADSA-N 1 0 468.690 3.690 20 0 JHADRO CCc1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001306208668 1068599942 /nfs/dbraw/zinc/59/99/42/1068599942.db2.gz DXBJDLPSDCOCKT-OAQYLSRUSA-N 1 0 450.587 3.623 20 0 JHADRO CCc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001306210035 1068600693 /nfs/dbraw/zinc/60/06/93/1068600693.db2.gz QOSXYCZRJDPXJJ-JOCHJYFZSA-N 1 0 460.617 3.920 20 0 JHADRO CCc1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001306221952 1068609542 /nfs/dbraw/zinc/60/95/42/1068609542.db2.gz YYFSQCPGTPKQCA-LAUBAEHRSA-N 1 0 466.001 3.712 20 0 JHADRO CCc1nnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001306229369 1068615077 /nfs/dbraw/zinc/61/50/77/1068615077.db2.gz HNLXUTRJQUTMPA-ILWGZMRPSA-N 1 0 468.646 3.664 20 0 JHADRO CCc1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)CC2)n1 ZINC001306230453 1068616370 /nfs/dbraw/zinc/61/63/70/1068616370.db2.gz QTFIZCWREMQYFT-ROUUACIJSA-N 1 0 472.663 3.595 20 0 JHADRO CCc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001306230737 1068616950 /nfs/dbraw/zinc/61/69/50/1068616950.db2.gz SXPHZVHGKFMHHC-XZOQPEGZSA-N 1 0 498.672 3.569 20 0 JHADRO CCc1nsc(N2CCCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](C)[NH+](CC)CC)CC2)n1 ZINC001306239262 1068634711 /nfs/dbraw/zinc/63/47/11/1068634711.db2.gz DFBOXFGIJWMWBR-LJQANCHMSA-N 1 0 483.690 3.509 20 0 JHADRO CCc1nsc(N2CCCN(c3nnc(-c4cccc(C)n4)n3CC[N@@H+](CC)C(C)C)CC2)n1 ZINC001306240134 1068638192 /nfs/dbraw/zinc/63/81/92/1068638192.db2.gz XMQBTFJUBYLEGH-UHFFFAOYSA-N 1 0 483.690 3.509 20 0 JHADRO CCc1nsc(N2CCN(c3nnc([C@H](C)CC)n3C[C@H](c3ccc(F)cc3)[NH+](C)C)CC2)n1 ZINC001306240275 1068638707 /nfs/dbraw/zinc/63/87/07/1068638707.db2.gz MSFDYTBTQCHWHH-YLJYHZDGSA-N 1 0 486.665 3.974 20 0 JHADRO CCc1nsc(N2CCN(c3nnc(CC(C)C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)n1 ZINC001306240842 1068641883 /nfs/dbraw/zinc/64/18/83/1068641883.db2.gz WHZSDUVJFBLRHI-NRFANRHFSA-N 1 0 482.702 3.828 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001306244272 1068648027 /nfs/dbraw/zinc/64/80/27/1068648027.db2.gz ASLUOEKMIKCECO-NQIIRXRSSA-N 1 0 490.599 3.916 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)[NH+]1CCCCC1 ZINC001306245586 1068652230 /nfs/dbraw/zinc/65/22/30/1068652230.db2.gz QIKIQIAGXPQBLY-LJQANCHMSA-N 1 0 475.037 3.586 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306246594 1068654040 /nfs/dbraw/zinc/65/40/40/1068654040.db2.gz VBGYCWNXYGYEBF-OXQOHEQNSA-N 1 0 477.028 3.963 20 0 JHADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccccc2Br)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001306247870 1068657132 /nfs/dbraw/zinc/65/71/32/1068657132.db2.gz AYVIACKAXSFPRA-XLIONFOSSA-N 1 0 489.462 3.543 20 0 JHADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001306248756 1068658980 /nfs/dbraw/zinc/65/89/80/1068658980.db2.gz ICWYSDRXJSCCSX-RTBURBONSA-N 1 0 459.019 3.678 20 0 JHADRO 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CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001306319367 1068745574 /nfs/dbraw/zinc/74/55/74/1068745574.db2.gz KSVMTFCCMADZCC-RTWAWAEBSA-N 1 0 469.678 3.679 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001306319790 1068747308 /nfs/dbraw/zinc/74/73/08/1068747308.db2.gz WUVBPNLEFTUNTJ-YADHBBJMSA-N 1 0 489.686 3.618 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Br)s2)nnc1N(C)CC(=O)NC(C)C ZINC001306320820 1068749705 /nfs/dbraw/zinc/74/97/05/1068749705.db2.gz XMQKFSPWOHYEAT-MRXNPFEDSA-N 1 0 497.507 3.994 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001306321756 1068752393 /nfs/dbraw/zinc/75/23/93/1068752393.db2.gz BOQOYGIBOXJWIU-FPOVZHCZSA-N 1 0 490.718 3.976 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306322563 1068753615 /nfs/dbraw/zinc/75/36/15/1068753615.db2.gz GQOGIHRNFQSRNS-PKTZIBPZSA-N 1 0 497.688 3.974 20 0 JHADRO 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/nfs/dbraw/zinc/21/65/11/1069216511.db2.gz YDHRZMVYYQJRDX-NZSAHSFTSA-N 1 0 456.612 3.843 20 0 JHADRO CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001306552436 1069217943 /nfs/dbraw/zinc/21/79/43/1069217943.db2.gz YCMXRTIWDCYUDB-VQTJNVASSA-N 1 0 467.662 3.512 20 0 JHADRO CCC[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@H]1CC ZINC001306552611 1069218364 /nfs/dbraw/zinc/21/83/64/1069218364.db2.gz XPTOACKSEVJCAT-NOTUOJBMSA-N 1 0 468.690 3.819 20 0 JHADRO O=C(NCc1ccnc(N2CCOCC2)c1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001310919389 1069221357 /nfs/dbraw/zinc/22/13/57/1069221357.db2.gz HPWKTWCZZBIFBJ-UHFFFAOYSA-N 1 0 455.628 3.818 20 0 JHADRO CC(C)CN1C[C@H]2CN(C(=O)Nc3ccc(SCC[NH+]4CCCCC4)cc3)CCN2C1=O ZINC001310920565 1069221918 /nfs/dbraw/zinc/22/19/18/1069221918.db2.gz MGPVHGKMEJEMDR-OAQYLSRUSA-N 1 0 459.660 3.874 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001306556840 1069225684 /nfs/dbraw/zinc/22/56/84/1069225684.db2.gz AGFACWBSWKPFHV-AOMKIAJQSA-N 1 0 464.452 3.955 20 0 JHADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ccc(I)cc2F)cc1 ZINC001310977418 1069238047 /nfs/dbraw/zinc/23/80/47/1069238047.db2.gz ANALAFCPRMCTRJ-QGZVFWFLSA-N 1 0 457.287 3.863 20 0 JHADRO O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001310978772 1069238689 /nfs/dbraw/zinc/23/86/89/1069238689.db2.gz ZFAQECCQHSNPQX-DLBZAZTESA-N 1 0 457.987 3.863 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001306572369 1069239622 /nfs/dbraw/zinc/23/96/22/1069239622.db2.gz BVUMTSBQEPDRNW-LAUBAEHRSA-N 1 0 465.631 3.910 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001306572814 1069240033 /nfs/dbraw/zinc/24/00/33/1069240033.db2.gz UIGHNAOEAPRYCE-PMACEKPBSA-N 1 0 475.707 3.983 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1(O)CCCC1 ZINC001306580878 1069245466 /nfs/dbraw/zinc/24/54/66/1069245466.db2.gz NLELUBBJUJUUPC-JOCHJYFZSA-N 1 0 454.663 3.573 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001306582586 1069246647 /nfs/dbraw/zinc/24/66/47/1069246647.db2.gz WQYNMESDKJKZFK-LEWJYISDSA-N 1 0 454.667 3.809 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001306584315 1069249881 /nfs/dbraw/zinc/24/98/81/1069249881.db2.gz GQOGAAUKMUOGIT-BHDDXSALSA-N 1 0 474.694 3.568 20 0 JHADRO CCC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)OC ZINC001306591028 1069260076 /nfs/dbraw/zinc/26/00/76/1069260076.db2.gz VEJGDJVBPDMWAH-REWPJTCUSA-N 1 0 457.667 3.975 20 0 JHADRO CCC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)OC ZINC001306593210 1069263332 /nfs/dbraw/zinc/26/33/32/1069263332.db2.gz OPHWMCXJMSHIQN-ACRUOGEOSA-N 1 0 476.666 3.840 20 0 JHADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1nnc(-c2cccc(C(F)(F)F)c2)s1 ZINC001311089454 1069270007 /nfs/dbraw/zinc/27/00/07/1069270007.db2.gz KKGVWRTZCUPFJL-UHFFFAOYSA-N 1 0 455.506 3.990 20 0 JHADRO COc1cccc(OC(F)(F)F)c1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001311116095 1069277262 /nfs/dbraw/zinc/27/72/62/1069277262.db2.gz HPANOJGYPNGBKF-KRWDZBQOSA-N 1 0 453.461 3.872 20 0 JHADRO CCCc1nc(C)c(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)o1 ZINC001306609325 1069285424 /nfs/dbraw/zinc/28/54/24/1069285424.db2.gz NQYRCNRBNSAWCD-FQEVSTJZSA-N 1 0 493.656 3.814 20 0 JHADRO CN(C[C@H]1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1)C(=O)OC(C)(C)C ZINC001311164135 1069287072 /nfs/dbraw/zinc/28/70/72/1069287072.db2.gz UVJZDJNKOPKOBN-KNQAVFIVSA-N 1 0 457.619 3.692 20 0 JHADRO CCOc1c(OC)cc(CNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1OC ZINC001311163974 1069287274 /nfs/dbraw/zinc/28/72/74/1069287274.db2.gz QVMCKCVYQYOREY-NRFANRHFSA-N 1 0 454.571 3.709 20 0 JHADRO C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CN1C(=O)OC(C)(C)C ZINC001311164831 1069287751 /nfs/dbraw/zinc/28/77/51/1069287751.db2.gz ZKYHCRDEVQGCIJ-UZKOGDIHSA-N 1 0 457.619 3.881 20 0 JHADRO CCC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cn3ccc(C)cc3n2)CC[N@@H+]1CCOC ZINC001306616650 1069297635 /nfs/dbraw/zinc/29/76/35/1069297635.db2.gz HJNJROSSRSEIMU-NRFANRHFSA-N 1 0 453.635 3.517 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)[C@@H](C)CC)CCO1 ZINC001306616483 1069298301 /nfs/dbraw/zinc/29/83/01/1069298301.db2.gz HBFYNRHOHPRRTR-DOTOQJQBSA-N 1 0 453.429 3.771 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)OC)CC[N@@H+]1CCOC ZINC001306616569 1069298936 /nfs/dbraw/zinc/29/89/36/1069298936.db2.gz IDKZXJMOKWEKMR-WMZOPIPTSA-N 1 0 498.441 3.819 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cc(C)no2)CC[N@@H+]1CCOC ZINC001306618169 1069301136 /nfs/dbraw/zinc/30/11/36/1069301136.db2.gz CXPSQWDOBGJWKJ-FQEVSTJZSA-N 1 0 458.994 3.880 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCCCC2)CCO1 ZINC001306618468 1069301609 /nfs/dbraw/zinc/30/16/09/1069301609.db2.gz SHGLSHVFCXMRHF-IBGZPJMESA-N 1 0 479.467 3.927 20 0 JHADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2)[NH+](C)C ZINC001311244467 1069306644 /nfs/dbraw/zinc/30/66/44/1069306644.db2.gz ZFAWQBCSDXFPKD-UWJYYQICSA-N 1 0 456.591 3.755 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cc(C)no2)CC[N@@H+]1CCOC ZINC001306621290 1069309540 /nfs/dbraw/zinc/30/95/40/1069309540.db2.gz ABCVTWGJPQRZQA-IBGZPJMESA-N 1 0 489.020 3.889 20 0 JHADRO OCCOCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010436464 555709922 /nfs/dbraw/zinc/70/99/22/555709922.db2.gz NOZYNZVQLOMLGT-UHFFFAOYSA-N 1 0 459.178 3.889 20 0 JHADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccccc3S(=O)(=O)C3CC3)CC2)cc1 ZINC001311257856 1069309876 /nfs/dbraw/zinc/30/98/76/1069309876.db2.gz LOXFVBGSUKHIMZ-UHFFFAOYSA-N 1 0 457.596 3.665 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cccc3c(Cl)ncnc31)C2 ZINC001164617215 719010679 /nfs/dbraw/zinc/01/06/79/719010679.db2.gz NDQXPITUDBAAFS-JTSKRJEESA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164620802 719017224 /nfs/dbraw/zinc/01/72/24/719017224.db2.gz ZMMDEKYODVNVLV-KVPLUYHFSA-N 1 0 483.682 3.532 20 0 JHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(OC)c2)c1 ZINC001164620386 719020050 /nfs/dbraw/zinc/02/00/50/719020050.db2.gz YTGOODWWAAACBS-JVPBZIDWSA-N 1 0 451.901 3.685 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC2)CC1 ZINC001164617548 719032831 /nfs/dbraw/zinc/03/28/31/719032831.db2.gz LUTQHJPQPFANDQ-UHFFFAOYSA-N 1 0 463.022 3.605 20 0 JHADRO C[C@@H]1CN(C)[C@@H](C)CN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001164643614 719228579 /nfs/dbraw/zinc/22/85/79/719228579.db2.gz ZPIZVBDQRPLMTG-ZWKOTPCHSA-N 1 0 455.002 3.926 20 0 JHADRO Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@@H]3O2)n1 ZINC001164649028 719301925 /nfs/dbraw/zinc/30/19/25/719301925.db2.gz GMXWAZJFJXUQQA-WBAXXEDZSA-N 1 0 451.905 3.705 20 0 JHADRO CCc1cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)nc(N2CCOCC2)[nH+]1 ZINC001164659843 719351591 /nfs/dbraw/zinc/35/15/91/719351591.db2.gz SGGBMDBOVVOXRS-UHFFFAOYSA-N 1 0 487.652 3.570 20 0 JHADRO Fc1ccc(CN2CCOCC23CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)cc1 ZINC001164673945 719519848 /nfs/dbraw/zinc/51/98/48/719519848.db2.gz UPXGQJALOOMGKP-UHFFFAOYSA-N 1 0 454.590 3.567 20 0 JHADRO Cc1nc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164680699 719655600 /nfs/dbraw/zinc/65/56/00/719655600.db2.gz HXBIWDQEOFHOIJ-IBGZPJMESA-N 1 0 456.034 3.840 20 0 JHADRO CCOC(=O)c1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C ZINC001164681661 719656043 /nfs/dbraw/zinc/65/60/43/719656043.db2.gz PQNDLNCPGKHUFU-OAQYLSRUSA-N 1 0 478.637 3.660 20 0 JHADRO COc1cc(Cl)cnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680200 719659565 /nfs/dbraw/zinc/65/95/65/719659565.db2.gz DCMCFONSMLMVCW-SFHVURJKSA-N 1 0 457.018 3.837 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3c[nH]c4ncnc(Cl)c34)CC2)c2ccccc21 ZINC001164683989 719659744 /nfs/dbraw/zinc/65/97/44/719659744.db2.gz VVZSRWXOCRBYNV-QGZVFWFLSA-N 1 0 467.017 3.656 20 0 JHADRO COc1cccc2c1ncnc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681406 719661127 /nfs/dbraw/zinc/66/11/27/719661127.db2.gz NUHXUOBSFNANQU-FQEVSTJZSA-N 1 0 473.621 3.732 20 0 JHADRO Cn1ccc2c1nc(Cl)nc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680734 719665166 /nfs/dbraw/zinc/66/51/66/719665166.db2.gz IHSCCJAKZDBDFN-SFHVURJKSA-N 1 0 481.044 3.715 20 0 JHADRO Cc1nc(C)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)n1 ZINC001164681476 719666154 /nfs/dbraw/zinc/66/61/54/719666154.db2.gz LJVUZXPSMIXCPR-IBGZPJMESA-N 1 0 456.034 3.840 20 0 JHADRO COc1cc(Cl)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681908 719666862 /nfs/dbraw/zinc/66/68/62/719666862.db2.gz ODLBPQZNIXXVBB-SFHVURJKSA-N 1 0 457.018 3.837 20 0 JHADRO 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C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(C4CC4)nc4[nH]ccc43)CC2)c2ccccc21 ZINC001164687222 719681808 /nfs/dbraw/zinc/68/18/08/719681808.db2.gz REJJWPJUGSBYTF-FQEVSTJZSA-N 1 0 472.637 3.929 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@H]3C)nc1 ZINC001164681975 719692807 /nfs/dbraw/zinc/69/28/07/719692807.db2.gz AXLRICMETZCFRI-REWPJTCUSA-N 1 0 466.630 3.543 20 0 JHADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164686753 719728205 /nfs/dbraw/zinc/72/82/05/719728205.db2.gz RBKAVNDGOAKRSO-UHFFFAOYSA-N 1 0 488.991 3.899 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)CC2 ZINC001164690433 719757928 /nfs/dbraw/zinc/75/79/28/719757928.db2.gz CBGGFPUMZPVMRW-UHFFFAOYSA-N 1 0 463.960 3.831 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccccc3OC)nnc1Cl)CC2 ZINC001164690726 719758568 /nfs/dbraw/zinc/75/85/68/719758568.db2.gz HNJFKYWFFNNKLW-UHFFFAOYSA-N 1 0 479.959 3.531 20 0 JHADRO 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Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4[nH]cc(Cl)c43)C2)C1 ZINC001164777449 721333534 /nfs/dbraw/zinc/33/35/34/721333534.db2.gz NMEJMURFEVBGIL-OAQYLSRUSA-N 1 0 465.385 3.989 20 0 JHADRO COC(=O)c1ccc2ccnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164779729 721345971 /nfs/dbraw/zinc/34/59/71/721345971.db2.gz VAFLWXSOGFEKHD-AREMUKBSSA-N 1 0 464.566 3.745 20 0 JHADRO O=C(c1ccccc1)N1CCO[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001164882520 721348677 /nfs/dbraw/zinc/34/86/77/721348677.db2.gz FSQVXIVGDUHODL-BDYUSTAISA-N 1 0 468.601 3.617 20 0 JHADRO CCOc1ccc2ncnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164779249 721353490 /nfs/dbraw/zinc/35/34/90/721353490.db2.gz RSIDAZJENAGCCR-VWLOTQADSA-N 1 0 451.571 3.752 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c(Cl)cccc54)C3)O2)CC1 ZINC001164886074 721405983 /nfs/dbraw/zinc/40/59/83/721405983.db2.gz HTOMEVZQOAXBOZ-KSFYIVLOSA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C3)O2)CC1 ZINC001164885088 721406576 /nfs/dbraw/zinc/40/65/76/721406576.db2.gz FLKMSTSOTUXTJM-PGRDOPGGSA-N 1 0 465.976 3.594 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890108 721407892 /nfs/dbraw/zinc/40/78/92/721407892.db2.gz SCSCVXDDHNTMEG-SVEHJYQDSA-N 1 0 484.648 3.971 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164885194 721410486 /nfs/dbraw/zinc/41/04/86/721410486.db2.gz GEKWBRHZCLCWPO-HTAPYJJXSA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164885200 721410532 /nfs/dbraw/zinc/41/05/32/721410532.db2.gz GEKWBRHZCLCWPO-VGSWGCGISA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C3)O2)CC1 ZINC001164889833 721420538 /nfs/dbraw/zinc/42/05/38/721420538.db2.gz RPEUQDQUWCKUDO-UGKGYDQZSA-N 1 0 465.976 3.594 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5c(-c6ccccc6)nsc54)C3)O2)CC1 ZINC001164893830 721436217 /nfs/dbraw/zinc/43/62/17/721436217.db2.gz KUXAGWRJWRYRRC-NBGIEHNGSA-N 1 0 464.639 3.519 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cccc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164898252 721438029 /nfs/dbraw/zinc/43/80/29/721438029.db2.gz VNGSFJOFGHYMIF-HTAPYJJXSA-N 1 0 465.976 3.594 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(F)ccc4-c4ccc(Cl)nn4)C3)O2)CC1 ZINC001164888843 721440543 /nfs/dbraw/zinc/44/05/43/721440543.db2.gz BBHRSOYNBRQZAH-DVECYGJZSA-N 1 0 459.997 3.702 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccc(Cl)nn5)ccc4F)C3)O2)CC1 ZINC001164894955 721441540 /nfs/dbraw/zinc/44/15/40/721441540.db2.gz NUBTZUGEUBKYBC-YADARESESA-N 1 0 459.997 3.702 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4)C3)O2)CC1 ZINC001164892781 721450058 /nfs/dbraw/zinc/45/00/58/721450058.db2.gz YELPCTQBWCVHQX-GBXCKJPGSA-N 1 0 458.006 3.688 20 0 JHADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)cc1 ZINC001164889063 721450781 /nfs/dbraw/zinc/45/07/81/721450781.db2.gz NHCZHQABFWAFFO-OFVILXPXSA-N 1 0 488.032 3.696 20 0 JHADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164885900 721451258 /nfs/dbraw/zinc/45/12/58/721451258.db2.gz FVLOARNZNVUPCK-SQJMNOBHSA-N 1 0 488.032 3.696 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4c(Cl)ccc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164892093 721451889 /nfs/dbraw/zinc/45/18/89/721451889.db2.gz WZPONYLKFIXCSB-OPAMFIHVSA-N 1 0 450.414 3.702 20 0 JHADRO CCOC(=O)c1cc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ncc1Cl ZINC001164785117 721452077 /nfs/dbraw/zinc/45/20/77/721452077.db2.gz GNQAATKLTNLDBJ-LJQANCHMSA-N 1 0 466.022 3.646 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4c(Cl)nnc(Cl)c4N4CCCCC4)C3)O2)CC1 ZINC001164889896 721453747 /nfs/dbraw/zinc/45/37/47/721453747.db2.gz PRDAUUZFEJANTL-MBSDFSHPSA-N 1 0 483.488 3.539 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3ccc(C(=O)OC)cc31)CC2 ZINC001164784447 721457695 /nfs/dbraw/zinc/45/76/95/721457695.db2.gz IBBBUVLGAXHAPZ-QHCPKHFHSA-N 1 0 467.610 3.755 20 0 JHADRO CCOC(=O)c1cc2cccnc2nc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164788673 721459559 /nfs/dbraw/zinc/45/95/59/721459559.db2.gz VMBPZGSHOCSUGQ-QFIPXVFZSA-N 1 0 482.625 3.540 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3cc(OC)c(OC)cc31)CC2 ZINC001164782694 721459822 /nfs/dbraw/zinc/45/98/22/721459822.db2.gz AUEZPADYRSVMEQ-OAQYLSRUSA-N 1 0 484.641 3.689 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)CC2 ZINC001164782770 721461439 /nfs/dbraw/zinc/46/14/39/721461439.db2.gz BQWVPIZHDOYTRR-FQEVSTJZSA-N 1 0 493.092 3.997 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cc(OC)c(OC)cc3n1)CC2 ZINC001164783690 721462266 /nfs/dbraw/zinc/46/22/66/721462266.db2.gz FIIAJPPBBSLRTM-QFIPXVFZSA-N 1 0 469.626 3.986 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(-c3ccc(N(C)C)cc3)n1)CC2 ZINC001164783612 721463969 /nfs/dbraw/zinc/46/39/69/721463969.db2.gz DTQLXDINHQSRBS-VWLOTQADSA-N 1 0 479.669 3.944 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(-c3ccccn3)nc(C)c1C)CC2 ZINC001164787953 721469379 /nfs/dbraw/zinc/46/93/79/721469379.db2.gz GOVVZAZNDGZERM-QHCPKHFHSA-N 1 0 465.642 3.889 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164787141 721473951 /nfs/dbraw/zinc/47/39/51/721473951.db2.gz CPEYCMYVMIHPQC-SFHVURJKSA-N 1 0 474.696 3.664 20 0 JHADRO Fc1cccnc1OC[C@]12COC[C@H]1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164792166 721486106 /nfs/dbraw/zinc/48/61/06/721486106.db2.gz HPRGHVTVTMPPDB-AMGIVPHBSA-N 1 0 460.553 3.706 20 0 JHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)CC[N@@H+]3C2)c1 ZINC001164908102 721529671 /nfs/dbraw/zinc/52/96/71/721529671.db2.gz ORWNGLDDXZHQKP-ISKFKSNPSA-N 1 0 459.569 3.516 20 0 JHADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164910892 721530853 /nfs/dbraw/zinc/53/08/53/721530853.db2.gz USHSCOPZLXXXRD-ZBFHGGJFSA-N 1 0 455.864 3.548 20 0 JHADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164909797 721542468 /nfs/dbraw/zinc/54/24/68/721542468.db2.gz RWRJUAXTQXXUID-VQIMIIECSA-N 1 0 459.884 3.937 20 0 JHADRO O=C(NC1CCCC1)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164908231 721555788 /nfs/dbraw/zinc/55/57/88/721555788.db2.gz QANWEMPSGQOMHB-FPOVZHCZSA-N 1 0 458.965 3.888 20 0 JHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3nc2N2CCCCC2)[C@H]2CCCO[C@H]12 ZINC001164804664 721575655 /nfs/dbraw/zinc/57/56/55/721575655.db2.gz LQNPUQKHVROALL-GVAUOCQISA-N 1 0 458.610 3.883 20 0 JHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164803975 721577175 /nfs/dbraw/zinc/57/71/75/721577175.db2.gz KFPONGYOTBYMEO-UBFVSLLYSA-N 1 0 452.562 3.955 20 0 JHADRO CCOC(=O)c1cc2cccnc2nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905517 721702950 /nfs/dbraw/zinc/70/29/50/721702950.db2.gz HBKMXJZZESCUJN-DEOSSOPVSA-N 1 0 467.520 3.939 20 0 JHADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905998 721717842 /nfs/dbraw/zinc/71/78/42/721717842.db2.gz JEVYNOXHBLMONA-XMMPIXPASA-N 1 0 473.568 3.691 20 0 JHADRO COC(=O)c1nc(Cl)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164912794 721737374 /nfs/dbraw/zinc/73/73/74/721737374.db2.gz QFUAHQMSYWEGIA-LJQANCHMSA-N 1 0 472.323 3.703 20 0 JHADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c12 ZINC001165010793 721745258 /nfs/dbraw/zinc/74/52/58/721745258.db2.gz PHQSSIPJNNGEPZ-UHFFFAOYSA-N 1 0 460.626 3.619 20 0 JHADRO O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001165021164 721773491 /nfs/dbraw/zinc/77/34/91/721773491.db2.gz ZVUZDSZBBJOCBK-LPHOPBHVSA-N 1 0 462.928 3.991 20 0 JHADRO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019595 721804323 /nfs/dbraw/zinc/80/43/23/721804323.db2.gz DGINAXDWFOQWFK-RYQLBKOJSA-N 1 0 450.965 3.873 20 0 JHADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027619 721819326 /nfs/dbraw/zinc/81/93/26/721819326.db2.gz VIUXUMXRIDQEEG-NOXFTYBFSA-N 1 0 479.625 3.985 20 0 JHADRO Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC1 ZINC001164918693 721822074 /nfs/dbraw/zinc/82/20/74/721822074.db2.gz HDGVHVZJZAVCTN-UHFFFAOYSA-N 1 0 462.976 3.603 20 0 JHADRO COC(=O)c1nc(Cl)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165019105 721830917 /nfs/dbraw/zinc/83/09/17/721830917.db2.gz AXMFDAPGKFGJQX-CWRNSKLLSA-N 1 0 450.370 3.702 20 0 JHADRO COC(=O)c1nc(Cl)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)n1 ZINC001165019110 721831082 /nfs/dbraw/zinc/83/10/82/721831082.db2.gz AXMFDAPGKFGJQX-NUEKZKHPSA-N 1 0 450.370 3.702 20 0 JHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3ccccc3nc2N2CCOCC2)CC1 ZINC001165022521 721840870 /nfs/dbraw/zinc/84/08/70/721840870.db2.gz UPRDTKDOOJKRMQ-UHFFFAOYSA-N 1 0 477.609 3.584 20 0 JHADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c1ccn2COCC[Si](C)(C)C ZINC001164926260 721871636 /nfs/dbraw/zinc/87/16/36/721871636.db2.gz QZLOMVHFKCEHKB-OALUTQOASA-N 1 0 465.118 3.612 20 0 JHADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164943948 721933682 /nfs/dbraw/zinc/93/36/82/721933682.db2.gz QAXRLAAVJBEQHL-GOSISDBHSA-N 1 0 458.990 3.586 20 0 JHADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001165046418 721966270 /nfs/dbraw/zinc/96/62/70/721966270.db2.gz LPAAEIXXIRZXDE-FQEVSTJZSA-N 1 0 453.612 3.822 20 0 JHADRO O=C(c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)c1)N1CCCCC1 ZINC001164963272 722060405 /nfs/dbraw/zinc/06/04/05/722060405.db2.gz UZZKWKHIMVRIKM-UHFFFAOYSA-N 1 0 484.044 3.875 20 0 JHADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164979847 722124647 /nfs/dbraw/zinc/12/46/47/722124647.db2.gz QMEACMGEJUHGJZ-RCZVLFRGSA-N 1 0 472.568 3.741 20 0 JHADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978402 722127112 /nfs/dbraw/zinc/12/71/12/722127112.db2.gz ONMRPXOCXNMTOS-GHTZIAJQSA-N 1 0 458.990 3.813 20 0 JHADRO FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983076 722127863 /nfs/dbraw/zinc/12/78/63/722127863.db2.gz XYPDXPWYAKDTHV-YLJYHZDGSA-N 1 0 459.928 3.950 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164982662 722137070 /nfs/dbraw/zinc/13/70/70/722137070.db2.gz RWLRJZZFGINIAE-XLIONFOSSA-N 1 0 480.943 3.579 20 0 JHADRO COC(=O)c1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2C)cc1 ZINC001164983837 722137323 /nfs/dbraw/zinc/13/73/23/722137323.db2.gz VNWZQXIDDQGTCV-AZGAKELHSA-N 1 0 472.589 3.966 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOC)CC[N@@H+]1CCOC ZINC001306621509 1069310333 /nfs/dbraw/zinc/31/03/33/1069310333.db2.gz XYKBLVGTRJLIEH-UYAOXDASSA-N 1 0 461.676 3.715 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(F)c(F)c2)CC[N@@H+]1CCOC ZINC001306623628 1069315379 /nfs/dbraw/zinc/31/53/79/1069315379.db2.gz FLOBGBSEAWUGOS-DENIHFKCSA-N 1 0 463.573 3.783 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(SC)CC[NH+](C)CC2)CCO1 ZINC001306623716 1069316295 /nfs/dbraw/zinc/31/62/95/1069316295.db2.gz VCWJWZJCWIWSQA-FQEVSTJZSA-N 1 0 489.686 3.795 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2nc(C)c(C)s2)CC[N@@H+]1CCOC ZINC001306624180 1069317187 /nfs/dbraw/zinc/31/71/87/1069317187.db2.gz MFIYSYDQFJQPEA-FQEVSTJZSA-N 1 0 469.659 3.707 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001306625346 1069319609 /nfs/dbraw/zinc/31/96/09/1069319609.db2.gz WKTYTZLUYCJMIM-NRFANRHFSA-N 1 0 495.672 3.706 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(C)C)CC[N@@H+]1CCOC ZINC001306625838 1069319895 /nfs/dbraw/zinc/31/98/95/1069319895.db2.gz UKDCJBWJFBMBSG-JOCHJYFZSA-N 1 0 492.709 3.986 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC[N@@H+]1CCOC ZINC001306628099 1069325936 /nfs/dbraw/zinc/32/59/36/1069325936.db2.gz DEBARKCXXHYXTH-UFPGJGBJSA-N 1 0 477.694 3.532 20 0 JHADRO CCN(C(=O)Nc1nc2cc(S(=O)(=O)CC)ccc2o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311328537 1069325974 /nfs/dbraw/zinc/32/59/74/1069325974.db2.gz LIQJERNBCXAXCC-SFHVURJKSA-N 1 0 456.568 3.750 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(F)c2)CC[N@@H+]1CCOC ZINC001306630075 1069329302 /nfs/dbraw/zinc/32/93/02/1069329302.db2.gz TVTLKBJZUNIARE-QFIPXVFZSA-N 1 0 472.634 3.758 20 0 JHADRO O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC001311342536 1069329953 /nfs/dbraw/zinc/32/99/53/1069329953.db2.gz DSOTZFREQOGBSY-SFHVURJKSA-N 1 0 455.430 3.906 20 0 JHADRO COc1ccc([C@H](CNC(=O)N2CCCN(c3ccccc3OC)CC2)[NH+]2CCCC2)cc1 ZINC001311342768 1069330387 /nfs/dbraw/zinc/33/03/87/1069330387.db2.gz BBRKWXVRSGCBCA-DEOSSOPVSA-N 1 0 452.599 3.763 20 0 JHADRO C[NH+](C)C1(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)CCCCC1 ZINC001311343987 1069331501 /nfs/dbraw/zinc/33/15/01/1069331501.db2.gz GVSHLJYFAIORGH-CVEARBPZSA-N 1 0 450.546 3.738 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001306631234 1069331793 /nfs/dbraw/zinc/33/17/93/1069331793.db2.gz SJEKKXAVXBWCMM-AOHZBQACSA-N 1 0 471.646 3.670 20 0 JHADRO COc1ccc([C@H](CNC(=O)N2CCN(c3ccc(C)c(C)c3)C[C@H]2C)[NH+](C)C)cc1OC ZINC001311346634 1069333351 /nfs/dbraw/zinc/33/33/51/1069333351.db2.gz AJSSYAXLBZEEEA-OFNKIYASSA-N 1 0 454.615 3.844 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@H](OC)C(C)(C)C)CCO1 ZINC001306632365 1069333636 /nfs/dbraw/zinc/33/36/36/1069333636.db2.gz XZYJQUYPDDUXEV-RPBOFIJWSA-N 1 0 498.716 3.709 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@@H+]2CC)CCO1 ZINC001306633934 1069338431 /nfs/dbraw/zinc/33/84/31/1069338431.db2.gz DDJBKLIJNUQJQF-WOZUAGRISA-N 1 0 476.666 3.538 20 0 JHADRO COc1ccccc1C[C@@](C)(CO)NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001311358748 1069342678 /nfs/dbraw/zinc/34/26/78/1069342678.db2.gz MXQKNRLQOAMRQA-ISCCLHIJSA-N 1 0 453.627 3.966 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(c4ccccc4F)C3=O)cc2)C1 ZINC001311360455 1069343833 /nfs/dbraw/zinc/34/38/33/1069343833.db2.gz PONDHHLPNDBJQT-YYDVJCTNSA-N 1 0 452.574 3.908 20 0 JHADRO CCOC(=O)c1sc(CC2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)nc1C ZINC001311368713 1069347217 /nfs/dbraw/zinc/34/72/17/1069347217.db2.gz QGHCVTAYIVXBKY-UHFFFAOYSA-N 1 0 450.649 3.902 20 0 JHADRO COc1ccc(N2C[C@@H](NC(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC2=O)cc1 ZINC001311369772 1069347864 /nfs/dbraw/zinc/34/78/64/1069347864.db2.gz IPAPVMUPKIMKSW-SIKLNZKXSA-N 1 0 456.974 3.590 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccs1 ZINC001311374609 1069349807 /nfs/dbraw/zinc/34/98/07/1069349807.db2.gz NGKFPESLQNSGDV-IFMALSPDSA-N 1 0 457.621 3.843 20 0 JHADRO CCCCCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@H+](C)C1)C(C)C ZINC001306641658 1069352510 /nfs/dbraw/zinc/35/25/10/1069352510.db2.gz BLNNHYDCRZTSHB-LVXARBLLSA-N 1 0 492.709 3.864 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N3C[C@@H](C)O[C@@H](CC(F)(F)F)C3)CC2)c1 ZINC001311381741 1069354694 /nfs/dbraw/zinc/35/46/94/1069354694.db2.gz UCWHUKAMDVJSMN-CTNGQTDRSA-N 1 0 456.553 3.649 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCn2cc(Cl)cn2)CC[N@@H+]1CCOC ZINC001306647411 1069359360 /nfs/dbraw/zinc/35/93/60/1069359360.db2.gz OZKNLFZWPNRDKV-OAQYLSRUSA-N 1 0 472.037 3.741 20 0 JHADRO CC[C@H](CNC(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC001311392899 1069359592 /nfs/dbraw/zinc/35/95/92/1069359592.db2.gz XEQUIJFHLSZNGD-FTJBHMTQSA-N 1 0 450.627 3.504 20 0 JHADRO CCOC(=O)c1csc(CC2CCN(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)n1 ZINC001311402698 1069362655 /nfs/dbraw/zinc/36/26/55/1069362655.db2.gz DQEHGSWGOHYGQU-ROUUACIJSA-N 1 0 450.649 3.652 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001306652780 1069364556 /nfs/dbraw/zinc/36/45/56/1069364556.db2.gz YIDQIQFGJHWIJC-LJQANCHMSA-N 1 0 461.054 3.630 20 0 JHADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C)CN1CCOCC1)[NH+](C)C ZINC001311408475 1069366737 /nfs/dbraw/zinc/36/67/37/1069366737.db2.gz UHWXGQSGMLEQPI-UWJYYQICSA-N 1 0 459.462 3.812 20 0 JHADRO CCCCCn1c(COc2ccccc2CC)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001306657029 1069369935 /nfs/dbraw/zinc/36/99/35/1069369935.db2.gz XFIQSKNPRXHPPB-DHLKQENFSA-N 1 0 496.700 3.989 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCCCCC2)CC1 ZINC001306659116 1069375450 /nfs/dbraw/zinc/37/54/50/1069375450.db2.gz CIUYEZJDKWQGSO-HSZRJFAPSA-N 1 0 474.694 3.571 20 0 JHADRO CN(CCc1cccc(Br)c1)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001311424018 1069371873 /nfs/dbraw/zinc/37/18/73/1069371873.db2.gz SBCBDABWMUBEFL-UHFFFAOYSA-N 1 0 459.432 3.845 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCCCCC2)CC1 ZINC001306659366 1069376561 /nfs/dbraw/zinc/37/65/61/1069376561.db2.gz JNYXNRLDZCXLDK-HSZRJFAPSA-N 1 0 474.694 3.919 20 0 JHADRO Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)NCC3([NH+](C)C)CCCCCC3)CC2)c(C)c1 ZINC001311434852 1069378284 /nfs/dbraw/zinc/37/82/84/1069378284.db2.gz FGGLVLDMMNWJRA-QFIPXVFZSA-N 1 0 458.647 3.579 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001306660238 1069379325 /nfs/dbraw/zinc/37/93/25/1069379325.db2.gz WFFYKUXCOWWKTL-VXKWHMMOSA-N 1 0 460.667 3.527 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001311447765 1069383294 /nfs/dbraw/zinc/38/32/94/1069383294.db2.gz LCIDPDPEOPFBMB-CIAFKFPVSA-N 1 0 460.594 3.845 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCCC2)CC1 ZINC001306662561 1069383943 /nfs/dbraw/zinc/38/39/43/1069383943.db2.gz UREZGCYRBIYOCI-UHFFFAOYSA-N 1 0 468.646 3.524 20 0 JHADRO CCCN(CC(C)(C)O)C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001311451008 1069384777 /nfs/dbraw/zinc/38/47/77/1069384777.db2.gz BPCDJDAUQNQLGY-UHFFFAOYSA-N 1 0 458.569 3.800 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001306663862 1069386736 /nfs/dbraw/zinc/38/67/36/1069386736.db2.gz MQKYAMUIUHRYCC-JOCHJYFZSA-N 1 0 467.662 3.608 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[NH+]2CCCCCC2)CC1 ZINC001306664515 1069389454 /nfs/dbraw/zinc/38/94/54/1069389454.db2.gz RKFUYEQSPBQRFK-UHFFFAOYSA-N 1 0 455.651 3.624 20 0 JHADRO CCCCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001306666793 1069394965 /nfs/dbraw/zinc/39/49/65/1069394965.db2.gz CUVUEUCARKIHED-SFHVURJKSA-N 1 0 463.468 3.970 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C)cc1N1CCOCC1)c1cccc(OC)c1 ZINC001311468101 1069391870 /nfs/dbraw/zinc/39/18/70/1069391870.db2.gz GNZZVNKVEYOSGX-RUZDIDTESA-N 1 0 454.615 3.723 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001306665585 1069392067 /nfs/dbraw/zinc/39/20/67/1069392067.db2.gz OCVUQUQDYIODNE-DQEYMECFSA-N 1 0 496.700 3.868 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001306666055 1069393204 /nfs/dbraw/zinc/39/32/04/1069393204.db2.gz VFMPTGHOENXUQZ-JTHBVZDNSA-N 1 0 474.694 3.725 20 0 JHADRO CCCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC[NH+]1CCCCC1 ZINC001306666816 1069395249 /nfs/dbraw/zinc/39/52/49/1069395249.db2.gz DIJALOAPKJWQIN-UHFFFAOYSA-N 1 0 461.680 3.659 20 0 JHADRO CCCCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001306674577 1069399033 /nfs/dbraw/zinc/39/90/33/1069399033.db2.gz DWCDQPSQNXVKHY-UHFFFAOYSA-N 1 0 484.693 3.578 20 0 JHADRO CCCCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001306677083 1069400872 /nfs/dbraw/zinc/40/08/72/1069400872.db2.gz QWMWEDHBISCVRU-LJQANCHMSA-N 1 0 466.655 3.953 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)c2)CC1 ZINC001306678407 1069402962 /nfs/dbraw/zinc/40/29/62/1069402962.db2.gz AZOYVOOYWNUDIO-DEOSSOPVSA-N 1 0 487.714 3.680 20 0 JHADRO COC(=O)c1cccc2c1OCCN(C(=O)NCc1ccc(C[N@@H+]3CCCC[C@@H]3C)cc1)C2 ZINC001311495944 1069405809 /nfs/dbraw/zinc/40/58/09/1069405809.db2.gz USXAIXNTVXLTRF-IBGZPJMESA-N 1 0 451.567 3.952 20 0 JHADRO CN(C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001311496411 1069406332 /nfs/dbraw/zinc/40/63/32/1069406332.db2.gz MYVGHIAOKJREBF-DQEYMECFSA-N 1 0 450.627 3.822 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@H]1CC ZINC001306681401 1069410623 /nfs/dbraw/zinc/41/06/23/1069410623.db2.gz LUMXYGRVFAMFLP-AZUAARDMSA-N 1 0 475.707 3.903 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001306681822 1069411815 /nfs/dbraw/zinc/41/18/15/1069411815.db2.gz VEDRNJDSPPKDTF-OALUTQOASA-N 1 0 475.707 3.903 20 0 JHADRO CN(Cc1ccccc1OCc1ccccc1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001311504217 1069412340 /nfs/dbraw/zinc/41/23/40/1069412340.db2.gz RIDQTEUHCYCOCI-UHFFFAOYSA-N 1 0 459.594 3.754 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N(CCO)[C@H]3CCCc4ccccc43)cc2)C[C@@H](C)O1 ZINC001311499178 1069408611 /nfs/dbraw/zinc/40/86/11/1069408611.db2.gz XZHHMXFUXDGCLA-YPCDYVTLSA-N 1 0 451.611 3.877 20 0 JHADRO COC[C@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1cccc(Br)c1 ZINC001311500778 1069409710 /nfs/dbraw/zinc/40/97/10/1069409710.db2.gz ZNQFZEGPNCEBGO-FQEVSTJZSA-N 1 0 450.377 3.576 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001306683393 1069416589 /nfs/dbraw/zinc/41/65/89/1069416589.db2.gz XKXLBGBAEKNXKJ-FQEVSTJZSA-N 1 0 497.463 3.532 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001306682269 1069413214 /nfs/dbraw/zinc/41/32/14/1069413214.db2.gz FMJPRAWKJZDMPL-IBGZPJMESA-N 1 0 459.982 3.600 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 ZINC001306682399 1069413230 /nfs/dbraw/zinc/41/32/30/1069413230.db2.gz GANYQAFJFIIEPY-QFIPXVFZSA-N 1 0 455.582 3.610 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001306682561 1069414044 /nfs/dbraw/zinc/41/40/44/1069414044.db2.gz IIAUBXZSSNPNNY-GOSISDBHSA-N 1 0 468.568 3.758 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001306682805 1069415150 /nfs/dbraw/zinc/41/51/50/1069415150.db2.gz LHJHCQGAQFSUKD-CPJSRVTESA-N 1 0 454.619 3.780 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)C1 ZINC001306683812 1069418700 /nfs/dbraw/zinc/41/87/00/1069418700.db2.gz AZQMZXZREMDMHL-LJQANCHMSA-N 1 0 451.619 3.814 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC001306684236 1069419491 /nfs/dbraw/zinc/41/94/91/1069419491.db2.gz IWXQGUDJFYRDJI-HXUWFJFHSA-N 1 0 455.632 3.723 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC001306685216 1069420651 /nfs/dbraw/zinc/42/06/51/1069420651.db2.gz YBPGVJZOVNCFOJ-FQEVSTJZSA-N 1 0 467.593 3.962 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)[C@H]1CCSC1 ZINC001306685189 1069420851 /nfs/dbraw/zinc/42/08/51/1069420851.db2.gz XOMACPTZLWDCRH-IBGZPJMESA-N 1 0 483.686 3.910 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001306686086 1069421917 /nfs/dbraw/zinc/42/19/17/1069421917.db2.gz ABCFAEIYCTZOOA-UHFFFAOYSA-N 1 0 482.673 3.655 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001306689458 1069426754 /nfs/dbraw/zinc/42/67/54/1069426754.db2.gz VYLVWXRXUULUMK-WCYRKSIYSA-N 1 0 485.673 3.979 20 0 JHADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCC2(c3ccc(Br)cc3Cl)CC2)C[C@H](C)O1 ZINC001311535661 1069428323 /nfs/dbraw/zinc/42/83/23/1069428323.db2.gz SKDBOODKCHALHH-GASCZTMLSA-N 1 0 458.828 3.933 20 0 JHADRO CCCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306691905 1069429158 /nfs/dbraw/zinc/42/91/58/1069429158.db2.gz PFVXNQDSIYHQOP-WOJBJXKFSA-N 1 0 475.707 3.985 20 0 JHADRO CC1CC[NH+](CCCNC(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001311552207 1069435603 /nfs/dbraw/zinc/43/56/03/1069435603.db2.gz VPUNOWVKUMDYTB-RBBKRZOGSA-N 1 0 462.610 3.950 20 0 JHADRO CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001306703483 1069439525 /nfs/dbraw/zinc/43/95/25/1069439525.db2.gz RVKDREAHBMUEGL-MRXNPFEDSA-N 1 0 466.399 3.805 20 0 JHADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC001311569516 1069442185 /nfs/dbraw/zinc/44/21/85/1069442185.db2.gz GAZMFLBFWSAESU-GOTSBHOMSA-N 1 0 455.672 3.515 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)c1cccc(F)c1 ZINC001311568898 1069442201 /nfs/dbraw/zinc/44/22/01/1069442201.db2.gz HVJOGYGYVQTJOQ-HSZRJFAPSA-N 1 0 456.562 3.776 20 0 JHADRO CCn1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c(=O)c2cc(Cl)ccc21 ZINC001306706638 1069441328 /nfs/dbraw/zinc/44/13/28/1069441328.db2.gz OIORBXULFSBAEA-UHFFFAOYSA-N 1 0 453.974 3.853 20 0 JHADRO CC1CC[NH+]([C@@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)c2cccs2)CC1 ZINC001311575806 1069445837 /nfs/dbraw/zinc/44/58/37/1069445837.db2.gz YLYPPBCRJDXBGT-YADHBBJMSA-N 1 0 454.640 3.964 20 0 JHADRO CCc1ccc([C@H](CNC(=O)N2CCCN(c3cc(OC)cc(OC)c3)CC2)[NH+](C)C)cc1 ZINC001311571273 1069443418 /nfs/dbraw/zinc/44/34/18/1069443418.db2.gz PCKRZDRDOHQHDO-VWLOTQADSA-N 1 0 454.615 3.791 20 0 JHADRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001311588879 1069453113 /nfs/dbraw/zinc/45/31/13/1069453113.db2.gz GSLPPWGZDLJZFS-UHFFFAOYSA-N 1 0 453.631 3.582 20 0 JHADRO CCO[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001311595295 1069456743 /nfs/dbraw/zinc/45/67/43/1069456743.db2.gz QKJICCWKRABNJH-DHIUTWEWSA-N 1 0 474.646 3.744 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccccc2CC1 ZINC001306721289 1069457461 /nfs/dbraw/zinc/45/74/61/1069457461.db2.gz WDCPZHRATQZJHH-QHCPKHFHSA-N 1 0 452.647 3.676 20 0 JHADRO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001311595945 1069457489 /nfs/dbraw/zinc/45/74/89/1069457489.db2.gz YWVHZMOGQJUMDU-JYFHCDHNSA-N 1 0 450.627 3.674 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001306721559 1069457901 /nfs/dbraw/zinc/45/79/01/1069457901.db2.gz BMVBOZQBWMZDBZ-PZJWPPBQSA-N 1 0 458.630 3.702 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)NCCC)C1 ZINC001306722844 1069461739 /nfs/dbraw/zinc/46/17/39/1069461739.db2.gz LRNZVOUXYKSFNN-SFTDATJTSA-N 1 0 455.651 3.670 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001306722211 1069458911 /nfs/dbraw/zinc/45/89/11/1069458911.db2.gz IPVOHHYMVYFTSP-JOCHJYFZSA-N 1 0 456.635 3.854 20 0 JHADRO CC[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC001311608804 1069460796 /nfs/dbraw/zinc/46/07/96/1069460796.db2.gz WWORHOODPZPGCR-JTHBVZDNSA-N 1 0 456.631 3.512 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)C)CC1 ZINC001306723126 1069462386 /nfs/dbraw/zinc/46/23/86/1069462386.db2.gz QALMHNYOFYLEPU-OAQYLSRUSA-N 1 0 483.661 3.974 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H](C)CC(N)=O ZINC001306723201 1069462975 /nfs/dbraw/zinc/46/29/75/1069462975.db2.gz OVRCJFMRTCVPLO-CTNGQTDRSA-N 1 0 463.630 3.848 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(C)(OC)C1 ZINC001306723845 1069464769 /nfs/dbraw/zinc/46/47/69/1069464769.db2.gz VOCOCAMMGMIYFF-HXUWFJFHSA-N 1 0 457.619 3.842 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306724383 1069465222 /nfs/dbraw/zinc/46/52/22/1069465222.db2.gz YPZUYLJTIOUCPQ-OAQYLSRUSA-N 1 0 455.651 3.623 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC001311619658 1069470622 /nfs/dbraw/zinc/47/06/22/1069470622.db2.gz QNYRHUJHGVHHGG-VSKRKVRLSA-N 1 0 478.609 3.532 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001306727397 1069472186 /nfs/dbraw/zinc/47/21/86/1069472186.db2.gz RCVMIFQWLGSLJV-DHIUTWEWSA-N 1 0 474.694 3.869 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O ZINC001306727579 1069472710 /nfs/dbraw/zinc/47/27/10/1069472710.db2.gz FCYCZAIKHANPRI-NXLVEIQXSA-N 1 0 462.683 3.551 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001306727963 1069473785 /nfs/dbraw/zinc/47/37/85/1069473785.db2.gz SJUWDMRTNDTGSR-RPWUZVMVSA-N 1 0 481.689 3.660 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001306728114 1069474413 /nfs/dbraw/zinc/47/44/13/1069474413.db2.gz SRXLZQNUXJHAEG-QHCPKHFHSA-N 1 0 496.704 3.549 20 0 JHADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC001311626362 1069476153 /nfs/dbraw/zinc/47/61/53/1069476153.db2.gz TUTOHLCNQWYMQH-OAQYLSRUSA-N 1 0 459.388 3.592 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccn3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306730090 1069478691 /nfs/dbraw/zinc/47/86/91/1069478691.db2.gz GRGOVKNQWZSBLR-LEWJYISDSA-N 1 0 499.729 3.689 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccccn3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306730094 1069480197 /nfs/dbraw/zinc/48/01/97/1069480197.db2.gz GRGOVKNQWZSBLR-RTWAWAEBSA-N 1 0 499.729 3.689 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001311633733 1069480465 /nfs/dbraw/zinc/48/04/65/1069480465.db2.gz OGAIEEAKUQZYGH-DHIUTWEWSA-N 1 0 473.662 3.724 20 0 JHADRO CCCOc1ccccc1Oc1ncccc1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC001311629252 1069477706 /nfs/dbraw/zinc/47/77/06/1069477706.db2.gz WAJGOMPHCMNYIV-LJQANCHMSA-N 1 0 456.587 3.649 20 0 JHADRO C[C@@H](CNC(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)C[NH+]1CCCCC1 ZINC001311638870 1069484401 /nfs/dbraw/zinc/48/44/01/1069484401.db2.gz REWQGMGTUCGSDD-PXNSSMCTSA-N 1 0 454.537 3.618 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001306731206 1069485035 /nfs/dbraw/zinc/48/50/35/1069485035.db2.gz DQNCBZRNNOOLMV-PZUNEJSGSA-N 1 0 495.716 3.906 20 0 JHADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC001311640490 1069485392 /nfs/dbraw/zinc/48/53/92/1069485392.db2.gz OOUGMEXXFVCCOE-FXAWDEMLSA-N 1 0 450.421 3.766 20 0 JHADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001311654295 1069490235 /nfs/dbraw/zinc/49/02/35/1069490235.db2.gz IYEDPTFSYUZLHR-ZRCAFCQKSA-N 1 0 456.425 3.643 20 0 JHADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001311654293 1069490282 /nfs/dbraw/zinc/49/02/82/1069490282.db2.gz IYEDPTFSYUZLHR-PAXLWEDBSA-N 1 0 456.425 3.643 20 0 JHADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC001311646991 1069487880 /nfs/dbraw/zinc/48/78/80/1069487880.db2.gz ZHICHEJNCQNAJB-YADHBBJMSA-N 1 0 452.599 3.825 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC001311664986 1069493994 /nfs/dbraw/zinc/49/39/94/1069493994.db2.gz OUQQHWDMGGDVQB-RDPSFJRHSA-N 1 0 457.578 3.901 20 0 JHADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001311670749 1069497418 /nfs/dbraw/zinc/49/74/18/1069497418.db2.gz GZSGPUKPKQLXMQ-ARXXEPJESA-N 1 0 468.564 3.599 20 0 JHADRO Cc1ccc(NC(=O)COc2ccc(CCNC(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)cc2)cc1 ZINC001311690835 1069505295 /nfs/dbraw/zinc/50/52/95/1069505295.db2.gz IYCJAHMNNGAVJR-QFIPXVFZSA-N 1 0 452.599 3.727 20 0 JHADRO C[N@H+](CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1)Cc1ccccc1 ZINC001311686145 1069503500 /nfs/dbraw/zinc/50/35/00/1069503500.db2.gz WIFCTECGAWRANN-JOCHJYFZSA-N 1 0 453.587 3.517 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001306736911 1069503753 /nfs/dbraw/zinc/50/37/53/1069503753.db2.gz VJLDQNYCJXFRII-QPPBQGQZSA-N 1 0 481.689 3.983 20 0 JHADRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001311698886 1069509113 /nfs/dbraw/zinc/50/91/13/1069509113.db2.gz ZBVARRMEGZGEKD-UHFFFAOYSA-N 1 0 450.023 3.675 20 0 JHADRO O=C(NC[C@@]1(N2CCOCC2)CCSC1)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC001311699487 1069509550 /nfs/dbraw/zinc/50/95/50/1069509550.db2.gz IQXCGWZURRLCIA-NRFANRHFSA-N 1 0 457.562 3.835 20 0 JHADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001311705042 1069511333 /nfs/dbraw/zinc/51/13/33/1069511333.db2.gz CNIQSVJOGAYCSD-RZUBCFFCSA-N 1 0 476.042 3.714 20 0 JHADRO COc1ccc(Cl)cc1CN1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001311703012 1069511346 /nfs/dbraw/zinc/51/13/46/1069511346.db2.gz CMVBTZASJQZDSW-RTBURBONSA-N 1 0 451.055 3.932 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306740796 1069514720 /nfs/dbraw/zinc/51/47/20/1069514720.db2.gz VNAYIGNERBLVMJ-BHDDXSALSA-N 1 0 469.678 3.537 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCOCC2(CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718831 1069517790 /nfs/dbraw/zinc/51/77/90/1069517790.db2.gz KXMVVBDIAURMFJ-FQEVSTJZSA-N 1 0 457.537 3.927 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001311719702 1069518421 /nfs/dbraw/zinc/51/84/21/1069518421.db2.gz YKHRJSXERDEHOQ-BDTNDASRSA-N 1 0 476.543 3.999 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](CN2CCCC2=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001311719621 1069518485 /nfs/dbraw/zinc/51/84/85/1069518485.db2.gz WQBXNKVNDJBJLN-YLJYHZDGSA-N 1 0 454.537 3.742 20 0 JHADRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NCC(C)(C)[N@@H+]3CCc4ccccc4C3)ccc2NC1=O ZINC001311719875 1069518866 /nfs/dbraw/zinc/51/88/66/1069518866.db2.gz DQNBQVGXRABFLC-VGSWGCGISA-N 1 0 450.583 3.993 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001306743458 1069522309 /nfs/dbraw/zinc/52/23/09/1069522309.db2.gz JEDFECRWGFUISS-ZEQRLZLVSA-N 1 0 481.689 3.517 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306743654 1069522781 /nfs/dbraw/zinc/52/27/81/1069522781.db2.gz BONJSVCQAQLFAZ-FQEVSTJZSA-N 1 0 470.637 3.949 20 0 JHADRO C[NH+](C)CCOc1ccccc1CNC(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC001311728082 1069524059 /nfs/dbraw/zinc/52/40/59/1069524059.db2.gz SIXRALGJPCJCPK-UHFFFAOYSA-N 1 0 454.493 3.698 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001306745549 1069528652 /nfs/dbraw/zinc/52/86/52/1069528652.db2.gz RAVPRIIIOJZHLV-JOCHJYFZSA-N 1 0 469.678 3.537 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)NCc3ccccc3Br)CC2)cc1 ZINC001311734098 1069526511 /nfs/dbraw/zinc/52/65/11/1069526511.db2.gz DPRHAHYXJQSJQK-UHFFFAOYSA-N 1 0 459.388 3.871 20 0 JHADRO COc1ccc(C2=NO[C@@H](CNC(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC001311745589 1069531164 /nfs/dbraw/zinc/53/11/64/1069531164.db2.gz CWDXXTSJULGEPC-PZJWPPBQSA-N 1 0 454.546 3.539 20 0 JHADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC001311750575 1069532630 /nfs/dbraw/zinc/53/26/30/1069532630.db2.gz ZQAKWAQGLVVQOW-VQTJNVASSA-N 1 0 454.537 3.531 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001306746824 1069532949 /nfs/dbraw/zinc/53/29/49/1069532949.db2.gz STYWYEIRQPKSIH-FAHANXHHSA-N 1 0 495.716 3.907 20 0 JHADRO C[C@H]1Cc2ccccc2N1CCNC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001311773921 1069540931 /nfs/dbraw/zinc/54/09/31/1069540931.db2.gz UWHOROBINMUVEV-FQEVSTJZSA-N 1 0 456.034 3.603 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001311804965 1069552753 /nfs/dbraw/zinc/55/27/53/1069552753.db2.gz MRHBHSZHKUHODH-QUCCMNQESA-N 1 0 454.537 3.537 20 0 JHADRO CC[C@H](NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001311809563 1069554324 /nfs/dbraw/zinc/55/43/24/1069554324.db2.gz LKVOVEVWXWHREB-SONWIMMPSA-N 1 0 454.615 3.704 20 0 JHADRO CCCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001306760561 1069560376 /nfs/dbraw/zinc/56/03/76/1069560376.db2.gz FEUUTXKIVACOIJ-IAGOWNOFSA-N 1 0 467.456 3.782 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NC[C@@H](OC)c2cccc(OC)c2)CC1 ZINC001311821249 1069561068 /nfs/dbraw/zinc/56/10/68/1069561068.db2.gz BSACZESGKFRMJU-HOYKHHGWSA-N 1 0 458.578 3.724 20 0 JHADRO C[C@H](NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311821333 1069561156 /nfs/dbraw/zinc/56/11/56/1069561156.db2.gz DDQSYTKXZLELBC-BULFRSBZSA-N 1 0 474.621 3.648 20 0 JHADRO CCCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001306765328 1069566906 /nfs/dbraw/zinc/56/69/06/1069566906.db2.gz AYDHSJXPVFABHJ-UHFFFAOYSA-N 1 0 469.659 3.584 20 0 JHADRO CCCN(CC[NH+]1CCCCC1)C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 ZINC001311835715 1069570726 /nfs/dbraw/zinc/57/07/26/1069570726.db2.gz VHMRKZFYRDAVRK-UHFFFAOYSA-N 1 0 458.628 3.895 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)Nc2ccccc2)C1 ZINC001306780602 1069577598 /nfs/dbraw/zinc/57/75/98/1069577598.db2.gz DEJPHUHUJVAEPT-IRLDBZIGSA-N 1 0 454.619 3.717 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)c2ccccc2)C1 ZINC001306781194 1069579008 /nfs/dbraw/zinc/57/90/08/1069579008.db2.gz HSDLPFVFOCXURU-XJUOHMSHSA-N 1 0 473.687 3.542 20 0 JHADRO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001306781065 1069578411 /nfs/dbraw/zinc/57/84/11/1069578411.db2.gz KZVFGWRKHOXEMN-FQEVSTJZSA-N 1 0 475.707 3.903 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001306780877 1069578453 /nfs/dbraw/zinc/57/84/53/1069578453.db2.gz GBWWUHCBOHKGHV-LEWJYISDSA-N 1 0 478.682 3.597 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccn(C)n2)C1 ZINC001306783568 1069582885 /nfs/dbraw/zinc/58/28/85/1069582885.db2.gz ZWOACMCDNRPVIB-YADHBBJMSA-N 1 0 465.646 3.985 20 0 JHADRO CC(C)(C)OC(=O)N(CCNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC001311857168 1069582928 /nfs/dbraw/zinc/58/29/28/1069582928.db2.gz DHAAEINLSNRSHQ-MDNUFGMLSA-N 1 0 456.631 3.986 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)no2)C1 ZINC001306781425 1069579315 /nfs/dbraw/zinc/57/93/15/1069579315.db2.gz UIARZOWUVOPUSH-INIZCTEOSA-N 1 0 476.423 3.559 20 0 JHADRO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1 ZINC001311852121 1069580323 /nfs/dbraw/zinc/58/03/23/1069580323.db2.gz UHBZVECISFAWAX-NLFFAJNJSA-N 1 0 452.599 3.864 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3)n2CC(F)(F)C2(OC)CCOCC2)C1 ZINC001306782190 1069580421 /nfs/dbraw/zinc/58/04/21/1069580421.db2.gz CJNMQJMWZNACQK-FQEVSTJZSA-N 1 0 477.600 3.944 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001306783807 1069583602 /nfs/dbraw/zinc/58/36/02/1069583602.db2.gz PIBLTIPMGHZZTA-QHAWAJNXSA-N 1 0 478.682 3.849 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2(O)CCC2)C1 ZINC001306784102 1069584069 /nfs/dbraw/zinc/58/40/69/1069584069.db2.gz OLDOSNXCHZRLQL-OAQYLSRUSA-N 1 0 468.646 3.620 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(N(C)C)nc2)C1 ZINC001306784524 1069585186 /nfs/dbraw/zinc/58/51/86/1069585186.db2.gz LWBRCQUMXBVOME-NRFANRHFSA-N 1 0 463.630 3.631 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(F)(F)F)cc2)C1 ZINC001306786680 1069589960 /nfs/dbraw/zinc/58/99/60/1069589960.db2.gz YMMPKZONHSZUGM-GOSISDBHSA-N 1 0 461.536 3.914 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccnc(SC)c2)C1 ZINC001306786679 1069589991 /nfs/dbraw/zinc/58/99/91/1069589991.db2.gz YKYGTWXHMWHNDZ-HXUWFJFHSA-N 1 0 451.644 3.982 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001306786817 1069590568 /nfs/dbraw/zinc/59/05/68/1069590568.db2.gz XXHIYFZZMVEMSR-HXUWFJFHSA-N 1 0 487.714 3.988 20 0 JHADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC001311879530 1069593311 /nfs/dbraw/zinc/59/33/11/1069593311.db2.gz AZWHHRWAQDVFRH-RPWUZVMVSA-N 1 0 456.631 3.738 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C12CCC2 ZINC001311880316 1069593987 /nfs/dbraw/zinc/59/39/87/1069593987.db2.gz IQSXYAROTLKVSS-YADHBBJMSA-N 1 0 456.631 3.782 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(NC(=O)OC)c2)C1 ZINC001306789416 1069595296 /nfs/dbraw/zinc/59/52/96/1069595296.db2.gz PIPQBDUAJNWTOA-QFIPXVFZSA-N 1 0 494.644 3.534 20 0 JHADRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@H]3CCN(c4ccc(Br)cc4)C3)C2)cc1 ZINC001311883807 1069595661 /nfs/dbraw/zinc/59/56/61/1069595661.db2.gz GDIWZUJUCMYQGX-SFTDATJTSA-N 1 0 457.416 3.910 20 0 JHADRO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001311885974 1069596834 /nfs/dbraw/zinc/59/68/34/1069596834.db2.gz DHLURXBBQWCNQK-ZEQRLZLVSA-N 1 0 453.631 3.752 20 0 JHADRO CCCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001306791716 1069598058 /nfs/dbraw/zinc/59/80/58/1069598058.db2.gz TTWMWYCEJMXMPD-SFHVURJKSA-N 1 0 463.468 3.970 20 0 JHADRO CCO[C@]1(c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCC[N@H+](C)Cc2ccccc2)CCOC1 ZINC001314146803 1069601269 /nfs/dbraw/zinc/60/12/69/1069601269.db2.gz XSPHTFYZMROGJP-TYBLODHISA-N 1 0 473.687 3.783 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[N@H+](C)C2CCCCC2)CCOC1 ZINC001314146767 1069601290 /nfs/dbraw/zinc/60/12/90/1069601290.db2.gz XAUDQSKUQJZOCY-SFGWALBWSA-N 1 0 473.584 3.829 20 0 JHADRO CCCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001306796713 1069602200 /nfs/dbraw/zinc/60/22/00/1069602200.db2.gz SXHOEHAJZYUIFM-RUZDIDTESA-N 1 0 456.635 3.907 20 0 JHADRO 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CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001307017670 1069726882 /nfs/dbraw/zinc/72/68/82/1069726882.db2.gz BJBYXOFYFISNTG-XMMPIXPASA-N 1 0 468.690 3.884 20 0 JHADRO CCCn1c(-c2ccc(Br)s2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001307017682 1069727124 /nfs/dbraw/zinc/72/71/24/1069727124.db2.gz BRZHGIPTKZZLKF-UHFFFAOYSA-N 1 0 464.437 3.625 20 0 JHADRO CCOc1ccc(CCn2c(CC)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1OCC ZINC001314182711 1069729823 /nfs/dbraw/zinc/72/98/23/1069729823.db2.gz NCZJUFXOMWFSBK-FQEVSTJZSA-N 1 0 471.646 3.570 20 0 JHADRO CCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001307019533 1069728358 /nfs/dbraw/zinc/72/83/58/1069728358.db2.gz IDUWFZFXKPRFHH-GOSISDBHSA-N 1 0 491.478 3.731 20 0 JHADRO CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001307019046 1069728503 /nfs/dbraw/zinc/72/85/03/1069728503.db2.gz BZBBPUDFCGXOSE-RTWAWAEBSA-N 1 0 488.702 3.696 20 0 JHADRO CCOc1ccc(CCn2c(N3CC[C@H](N4CC[NH+](CC)CC4)C3)nnc2C(C)(C)C)cc1OCC ZINC001314182362 1069728423 /nfs/dbraw/zinc/72/84/23/1069728423.db2.gz IOQVROMBBUQGMI-QHCPKHFHSA-N 1 0 498.716 3.832 20 0 JHADRO CCc1ccc([C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001312131651 1069737822 /nfs/dbraw/zinc/73/78/22/1069737822.db2.gz PKOJTZGVNUXCIS-GPXNEJASSA-N 1 0 455.624 3.620 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001314184649 1069735315 /nfs/dbraw/zinc/73/53/15/1069735315.db2.gz XKHVCISRJNZKSG-JOCHJYFZSA-N 1 0 468.646 3.670 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2ccc(OC)cc2)CC1 ZINC001307029003 1069736286 /nfs/dbraw/zinc/73/62/86/1069736286.db2.gz GGKIVKDTYKXNTD-QHCPKHFHSA-N 1 0 468.646 3.888 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001307029203 1069736376 /nfs/dbraw/zinc/73/63/76/1069736376.db2.gz JDUUGDZINCYBFI-UHFFFAOYSA-N 1 0 466.552 3.592 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(CC)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001307030287 1069738732 /nfs/dbraw/zinc/73/87/32/1069738732.db2.gz ABVSDSLSKYOFKA-LADGPHEKSA-N 1 0 466.674 3.980 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H](C)OCCOC)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001307030653 1069739206 /nfs/dbraw/zinc/73/92/06/1069739206.db2.gz APYZWKUXJXWGKG-MJGOQNOKSA-N 1 0 461.573 3.903 20 0 JHADRO CCC(CC)(CNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC001312135679 1069740826 /nfs/dbraw/zinc/74/08/26/1069740826.db2.gz QXTRTFKINBKZLQ-UHFFFAOYSA-N 1 0 450.627 3.941 20 0 JHADRO CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1OC ZINC001314189695 1069748110 /nfs/dbraw/zinc/74/81/10/1069748110.db2.gz JVEHLCOFLUJEER-HSZRJFAPSA-N 1 0 498.716 3.927 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001307032822 1069746028 /nfs/dbraw/zinc/74/60/28/1069746028.db2.gz XUISAQCQOCCZHK-FUHWJXTLSA-N 1 0 498.981 3.835 20 0 JHADRO CCOc1ccc(CN2CCN(c3nnc([C@@H](C)CC)n3C[C@@H]3CCC[N@@H+]3CC)CC2)cc1 ZINC001314189284 1069747448 /nfs/dbraw/zinc/74/74/48/1069747448.db2.gz RJVWDZRDBQOGFE-GMAHTHKFSA-N 1 0 454.663 3.997 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(Br)c3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001307034738 1069751314 /nfs/dbraw/zinc/75/13/14/1069751314.db2.gz QUDLCUQEUVAEPK-UHFFFAOYSA-N 1 0 491.478 3.792 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc[nH]3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001307035245 1069752575 /nfs/dbraw/zinc/75/25/75/1069752575.db2.gz QVUBVMTWZLSLGZ-NQIIRXRSSA-N 1 0 471.650 3.745 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cnccn3)nnc2N(C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC001307035315 1069752838 /nfs/dbraw/zinc/75/28/38/1069752838.db2.gz SKMIYNXJNSBMSF-UHFFFAOYSA-N 1 0 476.629 3.549 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC001307035711 1069754380 /nfs/dbraw/zinc/75/43/80/1069754380.db2.gz LZTFRANRPVGHKG-PMACEKPBSA-N 1 0 477.613 3.863 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(C)C)nnc2N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)C1 ZINC001307035665 1069754434 /nfs/dbraw/zinc/75/44/34/1069754434.db2.gz LKUBHJRAOJEEDP-QHCPKHFHSA-N 1 0 481.689 3.511 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@@](C)(O)C2CC2)cc1 ZINC001314192024 1069754913 /nfs/dbraw/zinc/75/49/13/1069754913.db2.gz RQWUGKJVLWLAAM-QBKLZVOZSA-N 1 0 471.646 3.897 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001314192548 1069756659 /nfs/dbraw/zinc/75/66/59/1069756659.db2.gz VACSSUYWLMXFEV-BHDDXSALSA-N 1 0 498.672 3.606 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001314192551 1069756666 /nfs/dbraw/zinc/75/66/66/1069756666.db2.gz VACSSUYWLMXFEV-YPAWHYETSA-N 1 0 498.672 3.606 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H](C)CC)nnc2N2CCC(C(=O)Nc3nncs3)CC2)CC1 ZINC001307036938 1069757564 /nfs/dbraw/zinc/75/75/64/1069757564.db2.gz QXYSXCVSQSIXDX-KRWDZBQOSA-N 1 0 474.679 3.620 20 0 JHADRO CC(C)CC(=O)N1CCN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001312160803 1069757797 /nfs/dbraw/zinc/75/77/97/1069757797.db2.gz LMJPIEBWJHUUPO-UHFFFAOYSA-N 1 0 450.627 3.979 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001307037677 1069759138 /nfs/dbraw/zinc/75/91/38/1069759138.db2.gz DXWRLEKLXKNDBO-QHCPKHFHSA-N 1 0 498.672 3.797 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001314193397 1069759695 /nfs/dbraw/zinc/75/96/95/1069759695.db2.gz KIWBYLDQNBEBEP-GNMOFYLKSA-N 1 0 498.672 3.639 20 0 JHADRO COc1ccc(CN2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1F ZINC001312164510 1069759965 /nfs/dbraw/zinc/75/99/65/1069759965.db2.gz LMKKTJZJOHEICT-NFBKMPQASA-N 1 0 454.590 3.715 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCCN(c3cc(OC)cc(OC)c3)CC2)C1 ZINC001307038643 1069762237 /nfs/dbraw/zinc/76/22/37/1069762237.db2.gz IZXVJNBGAKGPJS-QFIPXVFZSA-N 1 0 484.689 3.942 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)C)nnc2N2CCCN(c3cc(OC)cc(OC)c3)CC2)C1 ZINC001307038641 1069762274 /nfs/dbraw/zinc/76/22/74/1069762274.db2.gz IZXVJNBGAKGPJS-JOCHJYFZSA-N 1 0 484.689 3.942 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC)nnc2N2CCc3cc(OC)c(OC)c(OC)c3CC2)CC1 ZINC001307039480 1069764430 /nfs/dbraw/zinc/76/44/30/1069764430.db2.gz WUGKULYYYLTHAW-UHFFFAOYSA-N 1 0 471.646 3.594 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@H](C)[C@@H]3CC)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001314194541 1069764782 /nfs/dbraw/zinc/76/47/82/1069764782.db2.gz SPVRKQCACLOFGI-AJDBGRLRSA-N 1 0 457.619 3.508 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(OC)c(O)c2)CC1 ZINC001307040301 1069766638 /nfs/dbraw/zinc/76/66/38/1069766638.db2.gz LZUVEXGSIXQTRP-UHFFFAOYSA-N 1 0 464.614 3.737 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3F)nnc2N2CCC(N(C)C(C)=O)CC2)CC1 ZINC001307040329 1069766757 /nfs/dbraw/zinc/76/67/57/1069766757.db2.gz MUXGSQMOLWHXSL-UHFFFAOYSA-N 1 0 470.637 3.577 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3F)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307042080 1069770802 /nfs/dbraw/zinc/77/08/02/1069770802.db2.gz XRALKRXCHWEMRA-SZPZYZBQSA-N 1 0 486.680 3.675 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CCOCC)CC1 ZINC001307043438 1069774468 /nfs/dbraw/zinc/77/44/68/1069774468.db2.gz PHRUIGMLYPDOKW-JOCHJYFZSA-N 1 0 492.709 3.987 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001307043688 1069775221 /nfs/dbraw/zinc/77/52/21/1069775221.db2.gz LZSPLILOUMBYLS-YADHBBJMSA-N 1 0 490.693 3.788 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC001314196832 1069776775 /nfs/dbraw/zinc/77/67/75/1069776775.db2.gz CJDLDHUWEJXERK-JSXRDJHFSA-N 1 0 457.619 3.772 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@H](OC)C3)n2C[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001314198771 1069785090 /nfs/dbraw/zinc/78/50/90/1069785090.db2.gz KKBYDMMWMSUESJ-MIZPHKNDSA-N 1 0 457.619 3.916 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)OC(C)(C)C2)C1 ZINC001307045134 1069780938 /nfs/dbraw/zinc/78/09/38/1069780938.db2.gz DLKHGQVQCLRNOL-NCYKPQTJSA-N 1 0 490.693 3.784 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001307046494 1069785510 /nfs/dbraw/zinc/78/55/10/1069785510.db2.gz LNUCUVFYTSTFKY-CQOQZXRMSA-N 1 0 488.721 3.623 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001312219332 1069790562 /nfs/dbraw/zinc/79/05/62/1069790562.db2.gz PHAYHWWVJTTYBQ-CYGODWOOSA-N 1 0 458.006 3.839 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001307046888 1069786952 /nfs/dbraw/zinc/78/69/52/1069786952.db2.gz SIVWJPHYDVVINN-GBXCKJPGSA-N 1 0 471.646 3.849 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CC[C@@H](COC)C2)C1 ZINC001307047050 1069787353 /nfs/dbraw/zinc/78/73/53/1069787353.db2.gz UKSFEDHYOLYVRZ-RTBURBONSA-N 1 0 492.462 3.824 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N3CCC[C@@H](C(F)F)C3)nnc2[C@@]2(OCC)CCOC2)CC1 ZINC001307047154 1069788427 /nfs/dbraw/zinc/78/84/27/1069788427.db2.gz QJSLANCQDZKTTD-AUSIDOKSSA-N 1 0 455.594 3.534 20 0 JHADRO COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001312218657 1069788751 /nfs/dbraw/zinc/78/87/51/1069788751.db2.gz HCUPHMXUCIOKLZ-PBWTXFEYSA-N 1 0 455.521 3.526 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001307047396 1069789145 /nfs/dbraw/zinc/78/91/45/1069789145.db2.gz ZHVGBQURQIHRES-LQWHRVPQSA-N 1 0 497.562 3.754 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2CCc2csc(CC)n2)CC1 ZINC001307047989 1069791915 /nfs/dbraw/zinc/79/19/15/1069791915.db2.gz IUTBFLFOYHICOY-UHFFFAOYSA-N 1 0 453.660 3.836 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001314200524 1069792617 /nfs/dbraw/zinc/79/26/17/1069792617.db2.gz UQHBTKOYSPBCMK-HYBUGGRVSA-N 1 0 498.672 3.606 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001314201961 1069798846 /nfs/dbraw/zinc/79/88/46/1069798846.db2.gz XEXSXIZAEHWAGU-LEWJYISDSA-N 1 0 498.672 3.748 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCCCC2)cc1 ZINC001314202182 1069799559 /nfs/dbraw/zinc/79/95/59/1069799559.db2.gz TZGIMCACMSLMOG-HBMCJLEFSA-N 1 0 457.619 3.916 20 0 JHADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC001312230196 1069795252 /nfs/dbraw/zinc/79/52/52/1069795252.db2.gz YXBVJZSRVKUHBZ-NHCUHLMSSA-N 1 0 456.537 3.670 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001307049045 1069796012 /nfs/dbraw/zinc/79/60/12/1069796012.db2.gz HOXXQQHPLLVMCX-GCJKJVERSA-N 1 0 486.636 3.783 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 ZINC001307049004 1069796141 /nfs/dbraw/zinc/79/61/41/1069796141.db2.gz GOCQWEYYOKFMNO-RZFJZAQRSA-N 1 0 477.694 3.977 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(CO)CC3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001314202217 1069797201 /nfs/dbraw/zinc/79/72/01/1069797201.db2.gz XUEDCYIPKQUWFH-LJQANCHMSA-N 1 0 457.619 3.510 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(C)(C)C)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC001307049531 1069797620 /nfs/dbraw/zinc/79/76/20/1069797620.db2.gz NTNJSVWMUOYSGV-HXUWFJFHSA-N 1 0 452.647 3.939 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001307051445 1069804298 /nfs/dbraw/zinc/80/42/98/1069804298.db2.gz NSSSSXOILFUKAL-QGZVFWFLSA-N 1 0 466.552 3.735 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001307050622 1069801205 /nfs/dbraw/zinc/80/12/05/1069801205.db2.gz DKANVFVEZVTPLX-OAQYLSRUSA-N 1 0 479.572 3.601 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001307050646 1069801462 /nfs/dbraw/zinc/80/14/62/1069801462.db2.gz YNXBJWMCPBVZNE-RUZDIDTESA-N 1 0 454.594 3.641 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccncc2)CC1 ZINC001307050707 1069801830 /nfs/dbraw/zinc/80/18/30/1069801830.db2.gz TZUPQJSPSKDOMX-UHFFFAOYSA-N 1 0 472.435 3.984 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(OC)CCOC2)CC1 ZINC001307051101 1069802953 /nfs/dbraw/zinc/80/29/53/1069802953.db2.gz WZKGXKRLLOFODI-KBMIEXCESA-N 1 0 475.609 3.673 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OCC(C)C)CC1 ZINC001307051609 1069804124 /nfs/dbraw/zinc/80/41/24/1069804124.db2.gz KJZPLXQFCPITMG-QFIPXVFZSA-N 1 0 468.646 3.623 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001307051650 1069805321 /nfs/dbraw/zinc/80/53/21/1069805321.db2.gz RBQZNXZGMZPKOK-GOTSBHOMSA-N 1 0 468.646 3.649 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCOC(C)(C)C)CC1 ZINC001307052335 1069807336 /nfs/dbraw/zinc/80/73/36/1069807336.db2.gz XSEYRSWCFWSHSE-UHFFFAOYSA-N 1 0 495.672 3.801 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001307052953 1069809879 /nfs/dbraw/zinc/80/98/79/1069809879.db2.gz AMCQQBBFMOZNHW-QHCPKHFHSA-N 1 0 481.689 3.969 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001307053239 1069810824 /nfs/dbraw/zinc/81/08/24/1069810824.db2.gz BWBDVMQBPHJEAY-OAQYLSRUSA-N 1 0 488.080 3.953 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(C)c1C ZINC001307053280 1069811862 /nfs/dbraw/zinc/81/18/62/1069811862.db2.gz CKNBWZQRUZOJEI-FQEVSTJZSA-N 1 0 457.026 3.936 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001307053699 1069814230 /nfs/dbraw/zinc/81/42/30/1069814230.db2.gz JMIKQXQRCDCRFT-IEBWSBKVSA-N 1 0 474.679 3.763 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001307054883 1069818737 /nfs/dbraw/zinc/81/87/37/1069818737.db2.gz NZNWNYNNOGYMCL-QUCCMNQESA-N 1 0 477.053 3.878 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001307054655 1069817037 /nfs/dbraw/zinc/81/70/37/1069817037.db2.gz KRRKOGOXASOWQI-HXUWFJFHSA-N 1 0 474.053 3.563 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001307055147 1069820340 /nfs/dbraw/zinc/82/03/40/1069820340.db2.gz OTKFSIBNBDBTAK-SIKLNZKXSA-N 1 0 457.667 3.983 20 0 JHADRO CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC001312269218 1069825488 /nfs/dbraw/zinc/82/54/88/1069825488.db2.gz BTVKLRVFHYPHQI-RBUKOAKNSA-N 1 0 452.640 3.797 20 0 JHADRO CC(C)C[C@H](CNC(=O)N1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2)[NH2+][C@@H](C)c1ccccc1 ZINC001312269366 1069826653 /nfs/dbraw/zinc/82/66/53/1069826653.db2.gz HCAHSOJQEHTLJV-CJXPHRMXSA-N 1 0 453.631 3.710 20 0 JHADRO CCOc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)c1OC(F)F ZINC001314209847 1069829870 /nfs/dbraw/zinc/82/98/70/1069829870.db2.gz JWXFLFVBFXKXFI-PKOBYXMFSA-N 1 0 479.572 3.751 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2cccc(C)c2)CC1 ZINC001307056970 1069830796 /nfs/dbraw/zinc/83/07/96/1069830796.db2.gz UMBYTXRJTPIYKW-IFMALSPDSA-N 1 0 473.687 3.603 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001307058145 1069837979 /nfs/dbraw/zinc/83/79/79/1069837979.db2.gz JGASAMNZDROTDB-HSZRJFAPSA-N 1 0 495.697 3.894 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001307057892 1069837420 /nfs/dbraw/zinc/83/74/20/1069837420.db2.gz GMIRTUFSPLVYSU-CEWLAPEOSA-N 1 0 460.667 3.845 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(C)n3C[C@@H](c3ccccc3)[NH+](CC)CC)CC2)n1 ZINC001314213086 1069840199 /nfs/dbraw/zinc/84/01/99/1069840199.db2.gz QQMGIDJVZWHHIN-QHCPKHFHSA-N 1 0 463.630 3.790 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cnn(C)c1C ZINC001307058783 1069840614 /nfs/dbraw/zinc/84/06/14/1069840614.db2.gz OEHJHTTXZHSSQD-OAQYLSRUSA-N 1 0 456.664 3.577 20 0 JHADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001312289917 1069841199 /nfs/dbraw/zinc/84/11/99/1069841199.db2.gz XPGMUWUXGSZXDN-GIVPXCGWSA-N 1 0 452.437 3.837 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001307058140 1069838527 /nfs/dbraw/zinc/83/85/27/1069838527.db2.gz ITWDLKUTEFQOLZ-QFIPXVFZSA-N 1 0 458.695 3.970 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)ccc1F ZINC001307058485 1069839351 /nfs/dbraw/zinc/83/93/51/1069839351.db2.gz NTQWRYUNUOFMEX-FPOVZHCZSA-N 1 0 477.650 3.529 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1c(F)cccc1F ZINC001307059547 1069845504 /nfs/dbraw/zinc/84/55/04/1069845504.db2.gz UNUUSRXLIMLBAC-LJQANCHMSA-N 1 0 474.600 3.970 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001307059761 1069847118 /nfs/dbraw/zinc/84/71/18/1069847118.db2.gz ZYPXLPIXINSBMI-UNMCSNQZSA-N 1 0 473.065 3.879 20 0 JHADRO CCCN1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)CC1=O ZINC001307060428 1069848994 /nfs/dbraw/zinc/84/89/94/1069848994.db2.gz JHENAIDKOWWTET-FPOVZHCZSA-N 1 0 498.603 3.902 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001307060561 1069849877 /nfs/dbraw/zinc/84/98/77/1069849877.db2.gz AKCOZPRZOYAPRD-LJQANCHMSA-N 1 0 467.584 3.623 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(C)o3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1=O ZINC001307060678 1069850554 /nfs/dbraw/zinc/85/05/54/1069850554.db2.gz BQXAACBCYHDQHI-PMACEKPBSA-N 1 0 456.635 3.663 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001307061477 1069853029 /nfs/dbraw/zinc/85/30/29/1069853029.db2.gz GNTPGZGCTWGMEB-TUNNFDKTSA-N 1 0 483.661 3.954 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CC1=CCCOC1 ZINC001314218587 1069858850 /nfs/dbraw/zinc/85/88/50/1069858850.db2.gz UUJPXJGHJGPRFM-UXHICEINSA-N 1 0 455.603 3.521 20 0 JHADRO CCCN1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](CC)C(C)C)CC1=O ZINC001307062800 1069860900 /nfs/dbraw/zinc/86/09/00/1069860900.db2.gz XSZXVOOJQAUPHL-UHFFFAOYSA-N 1 0 491.478 3.887 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N(C)[C@H]2CCSC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001307064216 1069865229 /nfs/dbraw/zinc/86/52/29/1069865229.db2.gz AYTBTZMTDUFTSA-ZRCGQRJVSA-N 1 0 451.681 3.525 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001307064235 1069865382 /nfs/dbraw/zinc/86/53/82/1069865382.db2.gz BAMXHJHZRQGNBT-DNVJHFABSA-N 1 0 488.721 3.766 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCCCO1 ZINC001314220169 1069865545 /nfs/dbraw/zinc/86/55/45/1069865545.db2.gz HUPWAQKTZYJHLW-OAQYLSRUSA-N 1 0 457.619 3.792 20 0 JHADRO CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC001312335780 1069871793 /nfs/dbraw/zinc/87/17/93/1069871793.db2.gz GMMJUUDUVFWJTA-NBGIEHNGSA-N 1 0 455.647 3.820 20 0 JHADRO CCOc1ccccc1N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001314220840 1069868937 /nfs/dbraw/zinc/86/89/37/1069868937.db2.gz OYTAFIIKJQHGNA-JOCHJYFZSA-N 1 0 454.663 3.932 20 0 JHADRO CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC001312335776 1069871065 /nfs/dbraw/zinc/87/10/65/1069871065.db2.gz GMMJUUDUVFWJTA-CJFMBICVSA-N 1 0 455.647 3.820 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccccc3C)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1=O ZINC001307066434 1069875501 /nfs/dbraw/zinc/87/55/01/1069875501.db2.gz OKLONUFSWUVMRT-QFIPXVFZSA-N 1 0 452.647 3.823 20 0 JHADRO COc1cc(OC)cc(OCCCN(C)C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC001312338306 1069873363 /nfs/dbraw/zinc/87/33/63/1069873363.db2.gz ZMRBQEDLJWLWLG-LJQANCHMSA-N 1 0 456.587 3.735 20 0 JHADRO COc1cc(OC)cc(OCCCN(C)C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC001312338304 1069873487 /nfs/dbraw/zinc/87/34/87/1069873487.db2.gz ZMRBQEDLJWLWLG-IBGZPJMESA-N 1 0 456.587 3.735 20 0 JHADRO CCOc1ccccc1N1CCN(c2nnc(CC(C)C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001314221734 1069873632 /nfs/dbraw/zinc/87/36/32/1069873632.db2.gz WMWDKMHSLLGKPC-RUZDIDTESA-N 1 0 472.703 3.639 20 0 JHADRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001312340531 1069874115 /nfs/dbraw/zinc/87/41/15/1069874115.db2.gz ITVQBIGJYBONDV-UEQSERJNSA-N 1 0 469.651 3.839 20 0 JHADRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312341962 1069874781 /nfs/dbraw/zinc/87/47/81/1069874781.db2.gz DZGBBIYWWKHWQO-GOTSBHOMSA-N 1 0 457.640 3.793 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)[C@H]2C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001314222602 1069877621 /nfs/dbraw/zinc/87/76/21/1069877621.db2.gz MHYNNTFVPCLJTJ-LEWJYISDSA-N 1 0 471.646 3.726 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001312356426 1069882714 /nfs/dbraw/zinc/88/27/14/1069882714.db2.gz GNCPFXYWSMUJCN-SSGKUCQKSA-N 1 0 456.631 3.986 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001312356427 1069882773 /nfs/dbraw/zinc/88/27/73/1069882773.db2.gz GNCPFXYWSMUJCN-WBADGQHESA-N 1 0 456.631 3.986 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccsc3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1=O ZINC001307069882 1069883074 /nfs/dbraw/zinc/88/30/74/1069883074.db2.gz UDUGAFJWJKRIEV-HSZRJFAPSA-N 1 0 496.681 3.691 20 0 JHADRO CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001312357759 1069883854 /nfs/dbraw/zinc/88/38/54/1069883854.db2.gz ROGXUDVPXTZJIC-BPUWIUIQSA-N 1 0 454.659 3.869 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001307070038 1069883938 /nfs/dbraw/zinc/88/39/38/1069883938.db2.gz VYLINNLTMWLPGS-AZUAARDMSA-N 1 0 476.021 3.774 20 0 JHADRO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(S(C)(=O)=O)cc1 ZINC001312358542 1069884707 /nfs/dbraw/zinc/88/47/07/1069884707.db2.gz XGRKEUMMLUTIDO-IZSMGAQTSA-N 1 0 455.624 3.751 20 0 JHADRO CCOc1ccccc1OCc1nnc(Nc2ccn(C)n2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314224958 1069888655 /nfs/dbraw/zinc/88/86/55/1069888655.db2.gz BKRBRTCNWUBTPJ-LJQANCHMSA-N 1 0 453.591 3.853 20 0 JHADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccnc(N(C)C)n1 ZINC001312373195 1069894600 /nfs/dbraw/zinc/89/46/00/1069894600.db2.gz VZSPULZNHTVGPS-UHFFFAOYSA-N 1 0 453.418 3.903 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@H](CC)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001314227705 1069903332 /nfs/dbraw/zinc/90/33/32/1069903332.db2.gz AOZRHFJKMCPGFC-LEWJYISDSA-N 1 0 457.619 3.603 20 0 JHADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)NCc3ccc4oc(=O)[nH]c4c3)cc2)C[C@H]1C ZINC001312404884 1069912656 /nfs/dbraw/zinc/91/26/56/1069912656.db2.gz OAJHIFXVQPONRF-QZTJIDSGSA-N 1 0 452.555 3.542 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314229774 1069913251 /nfs/dbraw/zinc/91/32/51/1069913251.db2.gz WWXQQHFYZHDQDC-NHCUHLMSSA-N 1 0 471.646 3.991 20 0 JHADRO 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CC(C)(C)c1ccc(C2([NH2+]CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CCCC2)cc1 ZINC001307613621 1070082305 /nfs/dbraw/zinc/08/23/05/1070082305.db2.gz PZIVAUVNGVEIJB-UHFFFAOYSA-N 1 0 455.624 3.580 20 0 JHADRO CCOCc1nnc(N(C)CC(=O)Nc2c(C)cc(C)cc2C)n1CC1([NH+](C)C)CCCC1 ZINC001314299597 1070082966 /nfs/dbraw/zinc/08/29/66/1070082966.db2.gz SRXAVAIMAUVKJM-UHFFFAOYSA-N 1 0 456.635 3.689 20 0 JHADRO COC(=O)C(C)(C)[C@H]([NH2+]CC(=O)NCCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001307617358 1070083164 /nfs/dbraw/zinc/08/31/64/1070083164.db2.gz QUNFAAAIMCVTJA-HXUWFJFHSA-N 1 0 452.473 3.774 20 0 JHADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC001312698054 1070085908 /nfs/dbraw/zinc/08/59/08/1070085908.db2.gz NXTNDWMWKSMRDW-DSITVLBTSA-N 1 0 450.627 3.549 20 0 JHADRO CCOCc1nnc(N(C)CCc2ccc(Br)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001314309517 1070096573 /nfs/dbraw/zinc/09/65/73/1070096573.db2.gz FDNDSOSLSBHXOY-GOSISDBHSA-N 1 0 462.436 3.740 20 0 JHADRO 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COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)NCCCN3CCCCCC3=O)s2)cc1 ZINC001307657712 1070106312 /nfs/dbraw/zinc/10/63/12/1070106312.db2.gz KEXTUOGKGQMGJJ-QGZVFWFLSA-N 1 0 458.628 3.687 20 0 JHADRO CCOCc1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CCNc1ncc(Cl)cc1Cl ZINC001314321084 1070106472 /nfs/dbraw/zinc/10/64/72/1070106472.db2.gz HPYSRRLYEOOZHD-HUUCEWRRSA-N 1 0 456.422 3.547 20 0 JHADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001307658285 1070107399 /nfs/dbraw/zinc/10/73/99/1070107399.db2.gz MBMPATTTXMGCRW-INIZCTEOSA-N 1 0 458.603 3.769 20 0 JHADRO CCOCc1nnc(N2Cc3ccccc3O[C@H](C)C2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001314323592 1070109798 /nfs/dbraw/zinc/10/97/98/1070109798.db2.gz GOISEIQNABEXOT-OFNKIYASSA-N 1 0 471.646 3.739 20 0 JHADRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001307672484 1070116327 /nfs/dbraw/zinc/11/63/27/1070116327.db2.gz NPIQHCNYHQJVDM-LJQANCHMSA-N 1 0 452.603 3.813 20 0 JHADRO COCCOCc1ccc(CNC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001312779504 1070116952 /nfs/dbraw/zinc/11/69/52/1070116952.db2.gz WTQZBPGVZRHNRT-ZNZIZOMTSA-N 1 0 451.611 3.950 20 0 JHADRO COC[C@]1(CNC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)OCCc2ccccc21 ZINC001312799129 1070128261 /nfs/dbraw/zinc/12/82/61/1070128261.db2.gz RNZBEHFXYRLCJH-NDEPHWFRSA-N 1 0 459.590 3.779 20 0 JHADRO C[C@H](NC(=O)C[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC001307691543 1070129251 /nfs/dbraw/zinc/12/92/51/1070129251.db2.gz GMPJPLOGERKZSR-KBXCAEBGSA-N 1 0 459.509 3.998 20 0 JHADRO CCOCc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001314332828 1070127077 /nfs/dbraw/zinc/12/70/77/1070127077.db2.gz CHKOXNUSZMZJHC-GAJHUEQPSA-N 1 0 462.038 3.901 20 0 JHADRO CCOCc1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314338232 1070134959 /nfs/dbraw/zinc/13/49/59/1070134959.db2.gz IMPGUOZWYMWGGL-HSZRJFAPSA-N 1 0 455.647 3.811 20 0 JHADRO 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3.939 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314384396 1070228765 /nfs/dbraw/zinc/22/87/65/1070228765.db2.gz WNJBXQXSZSYWMA-FGZHOGPDSA-N 1 0 488.721 3.800 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](C)c1nc(-c2ccccc2)no1 ZINC001314384642 1070229156 /nfs/dbraw/zinc/22/91/56/1070229156.db2.gz HACIUYIULHFTMV-SFHVURJKSA-N 1 0 453.591 3.589 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001314384641 1070229265 /nfs/dbraw/zinc/22/92/65/1070229265.db2.gz HACIUYIULHFTMV-GOSISDBHSA-N 1 0 453.591 3.589 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3nnc(-c4cccc(O)c4)o3)C2)C1 ZINC001307905234 1070233612 /nfs/dbraw/zinc/23/36/12/1070233612.db2.gz RMLUVMTWAMVONI-NLWGTHIKSA-N 1 0 458.559 3.727 20 0 JHADRO CC1(c2ccc(Br)cc2)CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001313047754 1070234664 /nfs/dbraw/zinc/23/46/64/1070234664.db2.gz SCURQINMBROWBM-FQEVSTJZSA-N 1 0 450.421 3.766 20 0 JHADRO COc1cc(NC(=O)CC[NH+]2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)cc(OC)c1OC ZINC001307910013 1070235452 /nfs/dbraw/zinc/23/54/52/1070235452.db2.gz WFYBLJHNBZZNEN-MAUKXSAKSA-N 1 0 458.559 3.502 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314387585 1070235728 /nfs/dbraw/zinc/23/57/28/1070235728.db2.gz WYYRJWRWJPWWHC-LJQANCHMSA-N 1 0 476.050 3.554 20 0 JHADRO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCC1(CC(=O)NC)CCCCC1 ZINC001313054452 1070236532 /nfs/dbraw/zinc/23/65/32/1070236532.db2.gz KWHIIEAWOOLKCJ-NFBKMPQASA-N 1 0 457.663 3.719 20 0 JHADRO CCOCc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314388713 1070239621 /nfs/dbraw/zinc/23/96/21/1070239621.db2.gz BOEQHFRSTKDPJE-UQBPGWFLSA-N 1 0 476.616 3.930 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001314391330 1070246032 /nfs/dbraw/zinc/24/60/32/1070246032.db2.gz XHCVILHOIYVQQR-LJQANCHMSA-N 1 0 480.579 3.532 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)NCCC3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001313088904 1070246158 /nfs/dbraw/zinc/24/61/58/1070246158.db2.gz ALJMWTGIHYAUMD-ZRZAMGCNSA-N 1 0 456.631 3.797 20 0 JHADRO OC[C@]1([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCc2cc(Br)ccc2C1 ZINC001307929456 1070247317 /nfs/dbraw/zinc/24/73/17/1070247317.db2.gz WKEWKPULYQCYII-UXHICEINSA-N 1 0 458.318 3.881 20 0 JHADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001313082029 1070244280 /nfs/dbraw/zinc/24/42/80/1070244280.db2.gz JPPUXOMLHNMREK-IFMALSPDSA-N 1 0 456.631 3.940 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001314390600 1070244709 /nfs/dbraw/zinc/24/47/09/1070244709.db2.gz MJSNIMWPGJIIKD-SFTDATJTSA-N 1 0 458.626 3.933 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001314390598 1070244724 /nfs/dbraw/zinc/24/47/24/1070244724.db2.gz MJSNIMWPGJIIKD-NHCUHLMSSA-N 1 0 458.626 3.933 20 0 JHADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCOc2c(Br)cccc2Br)C1 ZINC001307925881 1070245643 /nfs/dbraw/zinc/24/56/43/1070245643.db2.gz YHEYQKYLBLZUKK-XJKCOSOUSA-N 1 0 451.199 3.746 20 0 JHADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001307939784 1070250173 /nfs/dbraw/zinc/25/01/73/1070250173.db2.gz YEFQRHRKUWNCKO-INIZCTEOSA-N 1 0 450.555 3.602 20 0 JHADRO CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001307939928 1070251084 /nfs/dbraw/zinc/25/10/84/1070251084.db2.gz AKLAJEHXAGGXTD-ROUUACIJSA-N 1 0 458.525 3.993 20 0 JHADRO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001307939929 1070251101 /nfs/dbraw/zinc/25/11/01/1070251101.db2.gz AKLAJEHXAGGXTD-ZWKOTPCHSA-N 1 0 458.525 3.993 20 0 JHADRO CCOCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@](C)(O)C1CCCCC1 ZINC001314395376 1070253421 /nfs/dbraw/zinc/25/34/21/1070253421.db2.gz CVPSRZXJALKCBO-QFQXNSOFSA-N 1 0 455.647 3.857 20 0 JHADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001313118488 1070256933 /nfs/dbraw/zinc/25/69/33/1070256933.db2.gz ZYHJKVOHCGILDO-WMZOPIPTSA-N 1 0 453.427 3.771 20 0 JHADRO CCOCc1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314397518 1070257023 /nfs/dbraw/zinc/25/70/23/1070257023.db2.gz TZGIPCMBJVSKDH-QFIPXVFZSA-N 1 0 472.634 3.640 20 0 JHADRO CCOCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1Cc1ccc(C)cc1SC ZINC001314398832 1070258876 /nfs/dbraw/zinc/25/88/76/1070258876.db2.gz OVMHLEKBYIVSDX-FGZHOGPDSA-N 1 0 486.730 3.888 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@@](C)(O)c2cccs2)cc1 ZINC001313132696 1070262871 /nfs/dbraw/zinc/26/28/71/1070262871.db2.gz KOQGDMNLWUDYNS-PPJWLVRDSA-N 1 0 465.619 3.932 20 0 JHADRO CCOCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1ccccc1Cl ZINC001314399701 1070260479 /nfs/dbraw/zinc/26/04/79/1070260479.db2.gz ZSQRNPUZJBRKII-BGYRXZFFSA-N 1 0 461.054 3.511 20 0 JHADRO COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C[C@@H]1C ZINC001313133499 1070262696 /nfs/dbraw/zinc/26/26/96/1070262696.db2.gz RSCHPQKPOAAIJJ-ZZQRAECTSA-N 1 0 465.594 3.504 20 0 JHADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC001313137263 1070265556 /nfs/dbraw/zinc/26/55/56/1070265556.db2.gz QEJHMMCTEQOFFQ-NQIIRXRSSA-N 1 0 458.965 3.748 20 0 JHADRO O=C(NCC1(OCCO)CCC(F)(F)CC1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001313140395 1070267360 /nfs/dbraw/zinc/26/73/60/1070267360.db2.gz YMDSJCGICKDXKG-NRFANRHFSA-N 1 0 453.574 3.687 20 0 JHADRO C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(F)cc1 ZINC001313140361 1070267404 /nfs/dbraw/zinc/26/74/04/1070267404.db2.gz URKKEGRILNROSS-RTBURBONSA-N 1 0 452.452 3.552 20 0 JHADRO COc1cc(NC(=O)CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC001307982135 1070268680 /nfs/dbraw/zinc/26/86/80/1070268680.db2.gz JQJRARBNKAGVAY-QGZVFWFLSA-N 1 0 456.370 3.850 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CC[N@H+](CC)C(C)C ZINC001314407653 1070270526 /nfs/dbraw/zinc/27/05/26/1070270526.db2.gz LTPIUHBSHMLSBZ-FQEVSTJZSA-N 1 0 453.990 3.915 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1CC(C)(C)C[NH+](C)C ZINC001314407759 1070271714 /nfs/dbraw/zinc/27/17/14/1070271714.db2.gz MIRFDGLMAWTPGA-LJQANCHMSA-N 1 0 480.451 3.743 20 0 JHADRO CCOCc1nnc(N2CCSC3(CCCCC3)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314412107 1070278034 /nfs/dbraw/zinc/27/80/34/1070278034.db2.gz LBMVNGGMTCAVIG-BGYRXZFFSA-N 1 0 451.681 3.570 20 0 JHADRO CCOCCN(C(=O)NC[C@H]1CN(Cc2ccc(C)cc2)CCO1)[C@H]1CCc2ccccc21 ZINC001313170286 1070278690 /nfs/dbraw/zinc/27/86/90/1070278690.db2.gz XJUGNDAGSWZMIS-AHWVRZQESA-N 1 0 451.611 3.931 20 0 JHADRO CSc1ccccc1NC(=O)CC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 ZINC001308012018 1070278883 /nfs/dbraw/zinc/27/88/83/1070278883.db2.gz JPKOEUJNLWVNPT-ZWKOTPCHSA-N 1 0 458.628 3.918 20 0 JHADRO 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C[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001308049751 1070293340 /nfs/dbraw/zinc/29/33/40/1070293340.db2.gz BVDBTYKJHSNLJZ-ZWDAVXSWSA-N 1 0 458.521 3.709 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C(F)(F)F ZINC001308058135 1070296610 /nfs/dbraw/zinc/29/66/10/1070296610.db2.gz BNQZWVUDVASFKH-BLLLJJGKSA-N 1 0 451.436 3.928 20 0 JHADRO COc1ccc(CN2CCCN(C(=O)C[N@@H+]3CCCC[C@@H]3CC3(O)CCCCC3)CC2)cc1 ZINC001308069162 1070301768 /nfs/dbraw/zinc/30/17/68/1070301768.db2.gz SAENZNSSLRJLOQ-XMMPIXPASA-N 1 0 457.659 3.669 20 0 JHADRO COC(=O)[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1OC(F)(F)F ZINC001308082154 1070306719 /nfs/dbraw/zinc/30/67/19/1070306719.db2.gz DEZHBVHGGIGVOJ-GHTZIAJQSA-N 1 0 452.473 3.680 20 0 JHADRO CN(CCc1ccccc1F)C(=O)NCCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313254505 1070306924 /nfs/dbraw/zinc/30/69/24/1070306924.db2.gz USKVCUOPWSGCJR-UHFFFAOYSA-N 1 0 450.599 3.733 20 0 JHADRO 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CCOC[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001314434601 1070320462 /nfs/dbraw/zinc/32/04/62/1070320462.db2.gz MLSALJCUQNEJNU-IRXDYDNUSA-N 1 0 465.440 3.630 20 0 JHADRO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2COC(C)C)C1 ZINC001308131375 1070324175 /nfs/dbraw/zinc/32/41/75/1070324175.db2.gz JUXPJCTVTCJYQK-NRFANRHFSA-N 1 0 453.583 3.587 20 0 JHADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001313317300 1070325728 /nfs/dbraw/zinc/32/57/28/1070325728.db2.gz JVZPIYCLYLGJMT-UHFFFAOYSA-N 1 0 450.505 3.676 20 0 JHADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC001313320512 1070326808 /nfs/dbraw/zinc/32/68/08/1070326808.db2.gz YPKZEERSUOEHJS-QRWLVFNGSA-N 1 0 450.546 3.690 20 0 JHADRO CN(C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001313333588 1070329413 /nfs/dbraw/zinc/32/94/13/1070329413.db2.gz RGTOBUQXMDTYHC-JKSUJKDBSA-N 1 0 450.546 3.738 20 0 JHADRO 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20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001313448019 1070369470 /nfs/dbraw/zinc/36/94/70/1070369470.db2.gz OAIRYGFOEDYSNM-SJBKTWHCSA-N 1 0 488.702 3.552 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313447460 1070366924 /nfs/dbraw/zinc/36/69/24/1070366924.db2.gz IMLYQPMQPZVQER-JVFUWBCBSA-N 1 0 489.064 3.908 20 0 JHADRO CCOc1cc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc(Br)c1OC(F)F ZINC001308396002 1070368356 /nfs/dbraw/zinc/36/83/56/1070368356.db2.gz RTVVYGHNSSHPFN-UHFFFAOYSA-N 1 0 456.349 3.896 20 0 JHADRO O=S(=O)(NCC[NH2+]Cc1ccc(Br)c(F)c1)c1cccc(Cl)c1Cl ZINC001308401241 1070370203 /nfs/dbraw/zinc/37/02/03/1070370203.db2.gz JJDMSWXJXVJNHZ-UHFFFAOYSA-N 1 0 456.164 3.963 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001313448594 1070371913 /nfs/dbraw/zinc/37/19/13/1070371913.db2.gz RNPPVKMHIOLAEZ-HKUYNNGSSA-N 1 0 498.981 3.978 20 0 JHADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC001308405172 1070371909 /nfs/dbraw/zinc/37/19/09/1070371909.db2.gz OHYQSIJOHNBYIE-NSHDSACASA-N 1 0 453.324 3.960 20 0 JHADRO COc1cc(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)ccc1OCc1ccc(F)cc1 ZINC001308414068 1070372662 /nfs/dbraw/zinc/37/26/62/1070372662.db2.gz SRQPRDPYZIASGI-UHFFFAOYSA-N 1 0 458.555 3.953 20 0 JHADRO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(I)c1 ZINC001308441974 1070376123 /nfs/dbraw/zinc/37/61/23/1070376123.db2.gz RXQXOWVHEMLBFC-TZIWHRDSSA-N 1 0 450.364 3.918 20 0 JHADRO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNCc2cc(OC(F)F)ccc2Br)C1 ZINC001308478294 1070380137 /nfs/dbraw/zinc/38/01/37/1070380137.db2.gz HOXDAWIZEQBFKD-SFHVURJKSA-N 1 0 454.359 3.956 20 0 JHADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC001308441205 1070376458 /nfs/dbraw/zinc/37/64/58/1070376458.db2.gz HORWHCWHFVNLIO-LJQANCHMSA-N 1 0 459.414 3.522 20 0 JHADRO CN(C)c1ccc(F)cc1C[NH2+]C1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001308479356 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/nfs/dbraw/zinc/37/85/11/1070378511.db2.gz QDADKEFEXJZGLV-GOTSBHOMSA-N 1 0 459.610 3.513 20 0 JHADRO COCCCn1nccc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 ZINC001308460393 1070378934 /nfs/dbraw/zinc/37/89/34/1070378934.db2.gz BFEWMMHSESBEKM-GOTSBHOMSA-N 1 0 458.603 3.811 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001313451342 1070379060 /nfs/dbraw/zinc/37/90/60/1070379060.db2.gz XSGGPFVUUWQUDD-UGKGYDQZSA-N 1 0 451.619 3.716 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001313451084 1070379611 /nfs/dbraw/zinc/37/96/11/1070379611.db2.gz UMXBGNLNYYXHNA-PCCBWWKXSA-N 1 0 460.667 3.525 20 0 JHADRO CCOCCN(C)c1nnc(-c2c[nH]c3ccccc32)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314469114 1070379853 /nfs/dbraw/zinc/37/98/53/1070379853.db2.gz TVLGGSBJCYHHBE-KDURUIRLSA-N 1 0 454.619 3.787 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001313451520 1070380046 /nfs/dbraw/zinc/38/00/46/1070380046.db2.gz ZTODMINETNQRRG-MBDNFAEBSA-N 1 0 490.693 3.881 20 0 JHADRO CC(C)(C)OC(=O)NCc1cn(-c2cccc(C[NH2+]Cc3ccnn3CC3CCC3)c2)nn1 ZINC001308479366 1070379972 /nfs/dbraw/zinc/37/99/72/1070379972.db2.gz ILDRQMGEOGRLKL-UHFFFAOYSA-N 1 0 451.575 3.578 20 0 JHADRO Cc1ccc(CN2CCO[C@H](C[NH2+]Cc3ccc(F)cc3I)C2)cc1 ZINC001308492612 1070380821 /nfs/dbraw/zinc/38/08/21/1070380821.db2.gz BRVXWRHMHBRJED-LJQANCHMSA-N 1 0 454.327 3.729 20 0 JHADRO Cc1cc(Br)cc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1OC(F)F ZINC001308502699 1070382271 /nfs/dbraw/zinc/38/22/71/1070382271.db2.gz BRPLVQASGQTPLG-UHFFFAOYSA-N 1 0 455.365 3.699 20 0 JHADRO Cc1cccn2cc(COc3ccc(C[NH2+]CC4(S(=O)(=O)NC(C)(C)C)CC4)cc3)nc12 ZINC001308502674 1070382673 /nfs/dbraw/zinc/38/26/73/1070382673.db2.gz ATIOCGDQMHGXBO-UHFFFAOYSA-N 1 0 456.612 3.562 20 0 JHADRO CCOCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314472952 1070383072 /nfs/dbraw/zinc/38/30/72/1070383072.db2.gz WXRXDLLGARPWPP-JTAQYXEDSA-N 1 0 457.619 3.631 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001313453111 1070384658 /nfs/dbraw/zinc/38/46/58/1070384658.db2.gz PGEFWTOGUFAHPR-UNMCSNQZSA-N 1 0 457.594 3.927 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001313453205 1070384775 /nfs/dbraw/zinc/38/47/75/1070384775.db2.gz UFZYVWDEJKCDBU-GOTSBHOMSA-N 1 0 497.688 3.879 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001313453552 1070386108 /nfs/dbraw/zinc/38/61/08/1070386108.db2.gz YRPZEPUYCOVRQA-QFIPXVFZSA-N 1 0 482.032 3.867 20 0 JHADRO CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc(Br)c1OC(F)F ZINC001308536953 1070387316 /nfs/dbraw/zinc/38/73/16/1070387316.db2.gz LGLSQIDSZZBQCP-YHWZYXNKSA-N 1 0 454.333 3.647 20 0 JHADRO CC(C)(C)OC(=O)COCCOCC[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC001308546459 1070387644 /nfs/dbraw/zinc/38/76/44/1070387644.db2.gz RBGZNWNGKAGSNK-UHFFFAOYSA-N 1 0 456.299 3.932 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC001308557698 1070388234 /nfs/dbraw/zinc/38/82/34/1070388234.db2.gz RQSDEVBZCZRJFS-LAUBAEHRSA-N 1 0 459.974 3.910 20 0 JHADRO COc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1OCc1cccnc1 ZINC001308552855 1070388290 /nfs/dbraw/zinc/38/82/90/1070388290.db2.gz WSLMHDNHHMIEOU-QGZVFWFLSA-N 1 0 456.564 3.932 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[C@@H](C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313455288 1070392092 /nfs/dbraw/zinc/39/20/92/1070392092.db2.gz LRPXHCUPOBCEHV-WOJBJXKFSA-N 1 0 465.646 3.888 20 0 JHADRO CCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001314480600 1070392699 /nfs/dbraw/zinc/39/26/99/1070392699.db2.gz VYUGJKZCGSEDPR-NRFANRHFSA-N 1 0 488.652 3.589 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)C1 ZINC001308578015 1070393277 /nfs/dbraw/zinc/39/32/77/1070393277.db2.gz RPMNOLFPKMOIHC-NRFANRHFSA-N 1 0 457.662 3.528 20 0 JHADRO CCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001314481169 1070393412 /nfs/dbraw/zinc/39/34/12/1070393412.db2.gz QAXAKYRGPANQQN-FGZHOGPDSA-N 1 0 454.663 3.539 20 0 JHADRO CCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001314484040 1070396685 /nfs/dbraw/zinc/39/66/85/1070396685.db2.gz QZJWDBOFEOYISE-UHFFFAOYSA-N 1 0 479.044 3.769 20 0 JHADRO COCCCNC(=O)C1CC[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC001308610777 1070400874 /nfs/dbraw/zinc/40/08/74/1070400874.db2.gz KFGGEUGZOLUQFL-UHFFFAOYSA-N 1 0 452.418 3.937 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001313458283 1070402299 /nfs/dbraw/zinc/40/22/99/1070402299.db2.gz AENRJSGJFPNIEJ-LJQANCHMSA-N 1 0 461.054 3.929 20 0 JHADRO CCOC(=O)c1[nH]c(C)c(CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c1C ZINC001308625790 1070405035 /nfs/dbraw/zinc/40/50/35/1070405035.db2.gz LWIUKVHSFZHLDJ-UHFFFAOYSA-N 1 0 457.600 3.670 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001313459240 1070405792 /nfs/dbraw/zinc/40/57/92/1070405792.db2.gz GNRUEOMRQLOCSJ-FCHUYYIVSA-N 1 0 468.646 3.571 20 0 JHADRO Cc1cc(C(=O)NC2CC[NH+](Cc3cn(-c4ccccc4Br)nc3C)CC2)no1 ZINC001308627911 1070405803 /nfs/dbraw/zinc/40/58/03/1070405803.db2.gz QSAZXIFHDTWYGC-UHFFFAOYSA-N 1 0 458.360 3.634 20 0 JHADRO CCCn1nc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313460288 1070410740 /nfs/dbraw/zinc/41/07/40/1070410740.db2.gz NEZLCBPLVULTCO-RTBURBONSA-N 1 0 483.686 3.737 20 0 JHADRO CCOC(=O)Cn1cc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c(-c2ccccc2)n1 ZINC001308631225 1070406820 /nfs/dbraw/zinc/40/68/20/1070406820.db2.gz KLAPQHQEZZIMFE-UHFFFAOYSA-N 1 0 452.599 3.774 20 0 JHADRO CCOCCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CCCCC2)CC1 ZINC001314493362 1070407593 /nfs/dbraw/zinc/40/75/93/1070407593.db2.gz IEKTWJSFFOPBIT-HSZRJFAPSA-N 1 0 485.673 3.889 20 0 JHADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001308642015 1070409119 /nfs/dbraw/zinc/40/91/19/1070409119.db2.gz MFARLKYRCZMLBX-YOEHRIQHSA-N 1 0 454.327 3.685 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)c2ccccn2)C[C@@H]1CC ZINC001314495518 1070413483 /nfs/dbraw/zinc/41/34/83/1070413483.db2.gz HPRAKIZMPAHFSB-QFIPXVFZSA-N 1 0 463.630 3.650 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc2cn(C)nc2-c2ccccc2)cnn1C ZINC001308682544 1070417515 /nfs/dbraw/zinc/41/75/15/1070417515.db2.gz XUXNMAMJRNBEPT-IBGZPJMESA-N 1 0 452.603 3.602 20 0 JHADRO CCOC(=O)Cn1cc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2cccnc2)n1 ZINC001308670389 1070414909 /nfs/dbraw/zinc/41/49/09/1070414909.db2.gz OLBWAERVBOJCLW-GOTSBHOMSA-N 1 0 452.530 3.999 20 0 JHADRO CCOCCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314495779 1070415454 /nfs/dbraw/zinc/41/54/54/1070415454.db2.gz DAYHDHJBXMUIIL-QFIPXVFZSA-N 1 0 484.689 3.623 20 0 JHADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)COC1(C)C ZINC001308685482 1070418364 /nfs/dbraw/zinc/41/83/64/1070418364.db2.gz JZUHIFCDRQXCKG-FUHWJXTLSA-N 1 0 457.409 3.562 20 0 JHADRO COc1ccc(NC(=O)C2([NH2+]Cc3ncc(Br)cc3O)CCCC2)cc1OC ZINC001308701752 1070421126 /nfs/dbraw/zinc/42/11/26/1070421126.db2.gz OLQGLNQYIPGIPI-UHFFFAOYSA-N 1 0 450.333 3.608 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCC(OC)CC2)C[C@@H]1CC ZINC001314497709 1070421459 /nfs/dbraw/zinc/42/14/59/1070421459.db2.gz FGVSQQVWFPQOPG-NFJGTOLLSA-N 1 0 463.667 3.662 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(Cl)nc2)C[C@@H]1CC ZINC001314497856 1070422345 /nfs/dbraw/zinc/42/23/45/1070422345.db2.gz FFMYCOTWQWJTEL-FQEVSTJZSA-N 1 0 475.062 3.964 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCS2)C[C@H]1CC ZINC001314498742 1070424691 /nfs/dbraw/zinc/42/46/91/1070424691.db2.gz GAKQHVBGVZNKTL-RTBURBONSA-N 1 0 479.641 3.980 20 0 JHADRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC001308718401 1070425111 /nfs/dbraw/zinc/42/51/11/1070425111.db2.gz AWZOYNBARYGAIK-YADARESESA-N 1 0 458.562 3.945 20 0 JHADRO CCOC1CC(C[NH2+][C@H](C)C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)(N2CCOCC2)C1 ZINC001308720374 1070425259 /nfs/dbraw/zinc/42/52/59/1070425259.db2.gz LMUOPFLXRWAWCP-FPBDKPOTSA-N 1 0 453.668 3.804 20 0 JHADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001308765432 1070433318 /nfs/dbraw/zinc/43/33/18/1070433318.db2.gz GYNYEYJSCWDSCS-RDTXWAMCSA-N 1 0 455.584 3.799 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cccc(F)c2)C[C@@H]1CC ZINC001314500543 1070431757 /nfs/dbraw/zinc/43/17/57/1070431757.db2.gz JPVHQKJGKYACDL-XZOQPEGZSA-N 1 0 459.610 3.839 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001313465191 1070431991 /nfs/dbraw/zinc/43/19/91/1070431991.db2.gz GHMFMLRDCPKSQN-YADHBBJMSA-N 1 0 482.673 3.961 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)C1(C)C ZINC001308761859 1070432719 /nfs/dbraw/zinc/43/27/19/1070432719.db2.gz FFCAXZCZWGBFBS-OSWQYVSFSA-N 1 0 456.587 3.693 20 0 JHADRO CC[NH+](CC)CCOC(=O)c1cccc(NCc2oc(Br)cc2C(=O)OC)c1 ZINC001308760294 1070432743 /nfs/dbraw/zinc/43/27/43/1070432743.db2.gz ROWCHZJLYOTOCB-UHFFFAOYSA-N 1 0 453.333 3.939 20 0 JHADRO COc1ccc(CC[C@H](C)[NH2+]CC2(N3CCN(c4ccccc4)CC3)CCOCC2)cc1O ZINC001308764129 1070433556 /nfs/dbraw/zinc/43/35/56/1070433556.db2.gz FLNJEYPDWLCALS-QFIPXVFZSA-N 1 0 453.627 3.683 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)C1 ZINC001308766259 1070434178 /nfs/dbraw/zinc/43/41/78/1070434178.db2.gz MASTUZPDOMGVMS-KGVIQGDOSA-N 1 0 477.568 3.572 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)C1 ZINC001308766249 1070434309 /nfs/dbraw/zinc/43/43/09/1070434309.db2.gz MASTUZPDOMGVMS-FGSXEWAUSA-N 1 0 477.568 3.572 20 0 JHADRO Cc1ccc(C[C@@H](CO)C[NH2+]C2CC3(C[C@@H]3NC(=O)OC(C)(C)C)C2)cc1Br ZINC001308770732 1070435173 /nfs/dbraw/zinc/43/51/73/1070435173.db2.gz UXDHCUSBLABRRH-BTARREFKSA-N 1 0 453.421 3.944 20 0 JHADRO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001308773136 1070435809 /nfs/dbraw/zinc/43/58/09/1070435809.db2.gz AVMNWBRJBFPDKW-WIYYLYMNSA-N 1 0 474.577 3.866 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001313465933 1070435838 /nfs/dbraw/zinc/43/58/38/1070435838.db2.gz QKNPGUKPLNROAH-BDTNDASRSA-N 1 0 460.711 3.977 20 0 JHADRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC001308762926 1070433421 /nfs/dbraw/zinc/43/34/21/1070433421.db2.gz VTFZBLRNGNYQJL-ZDUSSCGKSA-N 1 0 452.292 3.569 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001313466315 1070438483 /nfs/dbraw/zinc/43/84/83/1070438483.db2.gz QHZSLYBGMHLLCW-GMAHTHKFSA-N 1 0 484.664 3.871 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC2CC[NH+](CCC)CC2)C1 ZINC001313466481 1070439184 /nfs/dbraw/zinc/43/91/84/1070439184.db2.gz LIWGCVHGNSRYIA-QFIPXVFZSA-N 1 0 482.673 3.818 20 0 JHADRO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccc(F)cc2F)C1)C1CC1 ZINC001308803980 1070440392 /nfs/dbraw/zinc/44/03/92/1070440392.db2.gz SRVNLHDIQYMSEJ-KRWDZBQOSA-N 1 0 450.551 3.838 20 0 JHADRO OC[C@@H](C[NH2+]Cc1cc(Br)cnc1F)Cc1cc(F)cc(Br)c1 ZINC001308809429 1070441160 /nfs/dbraw/zinc/44/11/60/1070441160.db2.gz CFIDNKPVHQVWOB-LLVKDONJSA-N 1 0 450.121 3.826 20 0 JHADRO CC[NH+]1CCN(CC(C)(C)NCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)CC1 ZINC001308822998 1070443427 /nfs/dbraw/zinc/44/34/27/1070443427.db2.gz NYXVLKCDNUQIBR-UHFFFAOYSA-N 1 0 450.052 3.987 20 0 JHADRO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001308839341 1070445190 /nfs/dbraw/zinc/44/51/90/1070445190.db2.gz CNJYXOQVMAMAMW-ZGXWSNOMSA-N 1 0 481.678 3.732 20 0 JHADRO CNC(=O)[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)Cc1ccc(OC)c(F)c1 ZINC001308835533 1070445247 /nfs/dbraw/zinc/44/52/47/1070445247.db2.gz HHXYJSLQXXBNCA-WDSOQIARSA-N 1 0 451.583 3.507 20 0 JHADRO CCOC(=O)Cn1cc(C[NH+]2CCC(Cc3nc(CC)cs3)CC2)c(-c2cccnc2)n1 ZINC001308840976 1070445891 /nfs/dbraw/zinc/44/58/91/1070445891.db2.gz PZMJLLBZQLEJOM-UHFFFAOYSA-N 1 0 453.612 3.982 20 0 JHADRO Cc1ccc(-n2c(Cl)c(CNCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)nc2N(C)C)cc1 ZINC001308859330 1070449913 /nfs/dbraw/zinc/44/99/13/1070449913.db2.gz IHZLHSUOZVYDMF-JOCHJYFZSA-N 1 0 454.018 3.757 20 0 JHADRO COC(=O)[C@H]1[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)C1(F)F ZINC001308861378 1070450636 /nfs/dbraw/zinc/45/06/36/1070450636.db2.gz XWTOWRCTPPLBRT-RIVXBTQJSA-N 1 0 472.504 3.571 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001314507297 1070454609 /nfs/dbraw/zinc/45/46/09/1070454609.db2.gz WLUDXMOGTNEKCF-ZEQRLZLVSA-N 1 0 469.674 3.930 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001313469646 1070453741 /nfs/dbraw/zinc/45/37/41/1070453741.db2.gz YGVXCLYVDMHTBT-IBGZPJMESA-N 1 0 456.635 3.854 20 0 JHADRO CN1c2ccc(C[NH+]3CCC(CO[C@@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)cc2CCC1=O ZINC001308888546 1070454878 /nfs/dbraw/zinc/45/48/78/1070454878.db2.gz GEUQXIAQEVEFTR-JOCHJYFZSA-N 1 0 457.615 3.834 20 0 JHADRO COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC001308897299 1070456675 /nfs/dbraw/zinc/45/66/75/1070456675.db2.gz ILVZZSYZZJPDJS-XZOQPEGZSA-N 1 0 456.633 3.918 20 0 JHADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001308908519 1070457965 /nfs/dbraw/zinc/45/79/65/1070457965.db2.gz XHYFEOFIGZTYAX-DLBZAZTESA-N 1 0 457.596 3.549 20 0 JHADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCc3sccc3Br)CC2)cc1 ZINC001308917215 1070459140 /nfs/dbraw/zinc/45/91/40/1070459140.db2.gz CAGARZCDZJULHF-UHFFFAOYSA-N 1 0 459.431 3.505 20 0 JHADRO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)o1 ZINC001308938338 1070462794 /nfs/dbraw/zinc/46/27/94/1070462794.db2.gz CDCDJGQQNFARJM-VWLOTQADSA-N 1 0 456.539 3.945 20 0 JHADRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC001308943574 1070463786 /nfs/dbraw/zinc/46/37/86/1070463786.db2.gz OOEBFTMLCGBDQN-KLGSUFROSA-N 1 0 470.520 3.592 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001314511837 1070472598 /nfs/dbraw/zinc/47/25/98/1070472598.db2.gz CBQKCCSVWHSBFM-LSDHHAIUSA-N 1 0 488.485 3.994 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001314511830 1070471842 /nfs/dbraw/zinc/47/18/42/1070471842.db2.gz CBQKCCSVWHSBFM-CABCVRRESA-N 1 0 488.485 3.994 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001314511832 1070471920 /nfs/dbraw/zinc/47/19/20/1070471920.db2.gz CBQKCCSVWHSBFM-GJZGRUSLSA-N 1 0 488.485 3.994 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001314513598 1070479397 /nfs/dbraw/zinc/47/93/97/1070479397.db2.gz SXHTYIQHVJYZLK-KRWDZBQOSA-N 1 0 480.078 3.732 20 0 JHADRO CCCNC(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313477213 1070484027 /nfs/dbraw/zinc/48/40/27/1070484027.db2.gz LMJOZMZUCHSMLQ-SFHVURJKSA-N 1 0 458.676 3.578 20 0 JHADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cc(Br)cc(OC)c1)Cc1ccccc1 ZINC001309030506 1070496099 /nfs/dbraw/zinc/49/60/99/1070496099.db2.gz CXOCAXKBXQHHJQ-GOSISDBHSA-N 1 0 455.418 3.689 20 0 JHADRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)C[C@@H]2COc3ccccc3O2)cc1 ZINC001309037349 1070500544 /nfs/dbraw/zinc/50/05/44/1070500544.db2.gz QJGCQYGGXSEPHD-QFIPXVFZSA-N 1 0 452.576 3.675 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314521348 1070507082 /nfs/dbraw/zinc/50/70/82/1070507082.db2.gz ZXLFKXLNKOVXLG-AABGKKOBSA-N 1 0 486.686 3.806 20 0 JHADRO CCCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001313486892 1070503700 /nfs/dbraw/zinc/50/37/00/1070503700.db2.gz HLJAFPZASVYJRV-UHFFFAOYSA-N 1 0 481.670 3.681 20 0 JHADRO CCCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001313487649 1070504689 /nfs/dbraw/zinc/50/46/89/1070504689.db2.gz NDOXPSRCRITKEV-FQEVSTJZSA-N 1 0 456.635 3.528 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccnn1CCc1ccccc1 ZINC001309057097 1070512652 /nfs/dbraw/zinc/51/26/52/1070512652.db2.gz WXIDGKVMDUBPPX-OAQYLSRUSA-N 1 0 452.624 3.979 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001313491456 1070512056 /nfs/dbraw/zinc/51/20/56/1070512056.db2.gz AOJKPAWNOPMFLC-FQEVSTJZSA-N 1 0 456.610 3.703 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNS(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)C1 ZINC001309060653 1070514675 /nfs/dbraw/zinc/51/46/75/1070514675.db2.gz CLBUFUVBQTXZEF-IYBDPMFKSA-N 1 0 452.523 3.965 20 0 JHADRO CCCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001313497648 1070518651 /nfs/dbraw/zinc/51/86/51/1070518651.db2.gz HGAONXFXXQHGNX-QHCPKHFHSA-N 1 0 482.673 3.784 20 0 JHADRO CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314533601 1070528291 /nfs/dbraw/zinc/52/82/91/1070528291.db2.gz LWUWEBTYPGJLQB-RBBKRZOGSA-N 1 0 491.677 3.534 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001313501405 1070525380 /nfs/dbraw/zinc/52/53/80/1070525380.db2.gz DXJGDOBRSIANMY-NHCUHLMSSA-N 1 0 498.672 3.530 20 0 JHADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)C1 ZINC001309088488 1070532014 /nfs/dbraw/zinc/53/20/14/1070532014.db2.gz ZRYNBEMRHIDUAB-MRQKEVAZSA-N 1 0 477.671 3.749 20 0 JHADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)C1 ZINC001309088489 1070532073 /nfs/dbraw/zinc/53/20/73/1070532073.db2.gz ZRYNBEMRHIDUAB-PESUVLPXSA-N 1 0 477.671 3.749 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(O)CCC2)cc1OC ZINC001313503636 1070534307 /nfs/dbraw/zinc/53/43/07/1070534307.db2.gz AEPBEMHGADLSKK-UHFFFAOYSA-N 1 0 457.619 3.578 20 0 JHADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001309092073 1070535410 /nfs/dbraw/zinc/53/54/10/1070535410.db2.gz XQCJTBXASAGOMN-UHFFFAOYSA-N 1 0 459.697 3.696 20 0 JHADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001309099766 1070539227 /nfs/dbraw/zinc/53/92/27/1070539227.db2.gz JKSUQAHCFSTKAE-KBPBESRZSA-N 1 0 450.523 3.527 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001313504149 1070536757 /nfs/dbraw/zinc/53/67/57/1070536757.db2.gz MOWFAKQDGFICDL-DEOSSOPVSA-N 1 0 469.630 3.866 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001313504885 1070540502 /nfs/dbraw/zinc/54/05/02/1070540502.db2.gz HIIOIFYZWVUVMC-JOCHJYFZSA-N 1 0 498.672 3.531 20 0 JHADRO C[NH+]1CCN(Cc2cccc(CNS(=O)(=O)c3cc4cc(Cl)ccc4s3)c2)CC1 ZINC001309150161 1070569931 /nfs/dbraw/zinc/56/99/31/1070569931.db2.gz SNGNOKDYNUABGS-UHFFFAOYSA-N 1 0 450.029 3.781 20 0 JHADRO CC[S@@](=O)CCn1c(CSc2ccccc2OC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314577820 1070587098 /nfs/dbraw/zinc/58/70/98/1070587098.db2.gz IRKAJIFHMIOPEF-JGCGQSQUSA-N 1 0 479.716 3.658 20 0 JHADRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)CCOCC1)c1ccccc1 ZINC001309183082 1070590198 /nfs/dbraw/zinc/59/01/98/1070590198.db2.gz ISPTVQZBRBEBKK-HNNXBMFYSA-N 1 0 458.502 3.605 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC)CC1 ZINC001313522164 1070591326 /nfs/dbraw/zinc/59/13/26/1070591326.db2.gz FTULEXUBWIFJLM-XMMPIXPASA-N 1 0 454.663 3.838 20 0 JHADRO CCN(c1ccccc1)c1ccc(CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)cc1 ZINC001309198047 1070598429 /nfs/dbraw/zinc/59/84/29/1070598429.db2.gz HOBZOIOEKDOAHW-UHFFFAOYSA-N 1 0 455.628 3.698 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3noc4c3COCC4)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001313525473 1070598983 /nfs/dbraw/zinc/59/89/83/1070598983.db2.gz GPYSXESSDHSFEO-HXUWFJFHSA-N 1 0 474.650 3.910 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001313529607 1070610225 /nfs/dbraw/zinc/61/02/25/1070610225.db2.gz SXGYTIJLMTUKCS-SFTDATJTSA-N 1 0 459.610 3.838 20 0 JHADRO O=S(=O)(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001309214091 1070613053 /nfs/dbraw/zinc/61/30/53/1070613053.db2.gz PBRAQCQRFYQNGJ-FGZHOGPDSA-N 1 0 452.979 3.798 20 0 JHADRO CCCOCc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313532860 1070618900 /nfs/dbraw/zinc/61/89/00/1070618900.db2.gz IWTZHMRCLYJJLN-JOCHJYFZSA-N 1 0 465.646 3.645 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@@H](O)C2CCCCC2)cc1 ZINC001309223856 1070624159 /nfs/dbraw/zinc/62/41/59/1070624159.db2.gz UDTSAWVRVFWZBG-JIMJEQGWSA-N 1 0 456.652 3.824 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001314593522 1070628203 /nfs/dbraw/zinc/62/82/03/1070628203.db2.gz XMEJCHOEJNBMDE-SQJMNOBHSA-N 1 0 495.734 3.542 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001314593797 1070629691 /nfs/dbraw/zinc/62/96/91/1070629691.db2.gz GZBMAJFDNCQKLI-YUXAGFNASA-N 1 0 491.775 3.770 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(Cc3csc(C)n3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001314595179 1070634114 /nfs/dbraw/zinc/63/41/14/1070634114.db2.gz LUMFULMCSAGPMM-NHCUHLMSSA-N 1 0 491.775 3.770 20 0 JHADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC001309246509 1070641508 /nfs/dbraw/zinc/64/15/08/1070641508.db2.gz VXONGLIENMVHGC-GOSISDBHSA-N 1 0 450.988 3.659 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001314599635 1070648070 /nfs/dbraw/zinc/64/80/70/1070648070.db2.gz WEOKUXGXVXRJGA-TZBSWOFLSA-N 1 0 457.688 3.630 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccccn3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001314599942 1070648539 /nfs/dbraw/zinc/64/85/39/1070648539.db2.gz OJNDIZLZCHDDAM-FDFHNCONSA-N 1 0 471.719 3.724 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccccn3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001314599941 1070648594 /nfs/dbraw/zinc/64/85/94/1070648594.db2.gz OJNDIZLZCHDDAM-BHIFYINESA-N 1 0 471.719 3.724 20 0 JHADRO CC(C)C(=O)Nc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC001309257784 1070650228 /nfs/dbraw/zinc/65/02/28/1070650228.db2.gz SANZSEHEWVNXOV-VWLOTQADSA-N 1 0 455.624 3.958 20 0 JHADRO CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc21 ZINC001309260805 1070652253 /nfs/dbraw/zinc/65/22/53/1070652253.db2.gz FVAWMYSQOBUNEY-CNNODRBYSA-N 1 0 455.624 3.878 20 0 JHADRO CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc21 ZINC001309260807 1070652369 /nfs/dbraw/zinc/65/23/69/1070652369.db2.gz FVAWMYSQOBUNEY-JQVVWYNYSA-N 1 0 455.624 3.878 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001314602531 1070656474 /nfs/dbraw/zinc/65/64/74/1070656474.db2.gz ZZIYTIRUVZFLML-FPOVZHCZSA-N 1 0 491.727 3.802 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001313546867 1070656697 /nfs/dbraw/zinc/65/66/97/1070656697.db2.gz UEEACRJFOAIBSY-IFMALSPDSA-N 1 0 483.661 3.584 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001313548693 1070663069 /nfs/dbraw/zinc/66/30/69/1070663069.db2.gz OWNCSZYAQXFGRR-RCCFBDPRSA-N 1 0 458.676 3.529 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001313548691 1070663111 /nfs/dbraw/zinc/66/31/11/1070663111.db2.gz OWNCSZYAQXFGRR-OKZBNKHCSA-N 1 0 458.676 3.529 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001314603425 1070657889 /nfs/dbraw/zinc/65/78/89/1070657889.db2.gz CSXWULGUQNNKNW-JTHBVZDNSA-N 1 0 472.703 3.877 20 0 JHADRO CC[C@H](NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)c1noc(C)n1 ZINC001309274250 1070661173 /nfs/dbraw/zinc/66/11/73/1070661173.db2.gz IGBJLMLQUFEFFP-FDFHNCONSA-N 1 0 458.559 3.556 20 0 JHADRO COc1ccc(Cl)c(S(=O)(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001309283420 1070668294 /nfs/dbraw/zinc/66/82/94/1070668294.db2.gz RHJPNWRPPMGVOH-UHFFFAOYSA-N 1 0 453.004 3.698 20 0 JHADRO CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001313562243 1070679957 /nfs/dbraw/zinc/67/99/57/1070679957.db2.gz WPGYYFUXHQLEOH-WIYYLYMNSA-N 1 0 473.668 3.949 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(Cc3csc(C)n3)nnc2N(C)CC2COC(C)(C)OC2)c1 ZINC001313575197 1070690449 /nfs/dbraw/zinc/69/04/49/1070690449.db2.gz OSCIHPCFWITCQP-UHFFFAOYSA-N 1 0 498.697 3.969 20 0 JHADRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c(Br)c1 ZINC001309310115 1070688855 /nfs/dbraw/zinc/68/88/55/1070688855.db2.gz ORNUVGXGKFOQNF-CYBMUJFWSA-N 1 0 459.793 3.929 20 0 JHADRO CCSCCCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001314619096 1070694107 /nfs/dbraw/zinc/69/41/07/1070694107.db2.gz AJRSBVXCAHIPFT-UHFFFAOYSA-N 1 0 459.660 3.610 20 0 JHADRO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[N@@H+](C(C)C)C1)C(C)C ZINC001313581973 1070702479 /nfs/dbraw/zinc/70/24/79/1070702479.db2.gz KYWLNMOUXQVRSR-FQEVSTJZSA-N 1 0 475.707 3.902 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314626069 1070715721 /nfs/dbraw/zinc/71/57/21/1070715721.db2.gz RDGWIMGCSKWEMY-IBGZPJMESA-N 1 0 471.650 3.983 20 0 JHADRO CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CC[NH+]1CCSCC1)C(C)C ZINC001313590263 1070718186 /nfs/dbraw/zinc/71/81/86/1070718186.db2.gz XYHPGADDEOHLQM-UHFFFAOYSA-N 1 0 468.465 4.000 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N2CC[C@@H](COCc3ccccc3)C2)nnc1C(C)(C)C ZINC001314628190 1070723609 /nfs/dbraw/zinc/72/36/09/1070723609.db2.gz GVJRJNNAZHBWKB-DNQXCXABSA-N 1 0 496.700 3.561 20 0 JHADRO CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001313607490 1070731356 /nfs/dbraw/zinc/73/13/56/1070731356.db2.gz CYPXWIUXTKILJT-LEWJYISDSA-N 1 0 478.682 3.942 20 0 JHADRO CN(C)C(=O)CCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001314631494 1070733552 /nfs/dbraw/zinc/73/35/52/1070733552.db2.gz FBSGLZNRCZDUID-UHFFFAOYSA-N 1 0 483.480 3.558 20 0 JHADRO CN(C)C(=O)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001314632562 1070735560 /nfs/dbraw/zinc/73/55/60/1070735560.db2.gz VYLMYIWDQXUDPX-UHFFFAOYSA-N 1 0 489.064 3.548 20 0 JHADRO CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@]1([NH+](C)C)CCSC1)C1CCCCC1 ZINC001313617298 1070741628 /nfs/dbraw/zinc/74/16/28/1070741628.db2.gz KMAYBITWIZEMIC-QHCPKHFHSA-N 1 0 476.716 3.866 20 0 JHADRO CCN(c1nnc(COc2ccccc2OC)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC001313619343 1070745199 /nfs/dbraw/zinc/74/51/99/1070745199.db2.gz TWDFSTGRDATBPE-OALUTQOASA-N 1 0 457.619 3.742 20 0 JHADRO CCN(c1nnc(COc2ccc(Br)cc2)n1CC1(O)CC[NH+](C(C)C)CC1)C1CC1 ZINC001313620138 1070746923 /nfs/dbraw/zinc/74/69/23/1070746923.db2.gz WYUPJPIRXGMAGM-UHFFFAOYSA-N 1 0 492.462 3.844 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccsc1 ZINC001314646474 1070747083 /nfs/dbraw/zinc/74/70/83/1070747083.db2.gz CJYNUHSTPMVCKI-MBSDFSHPSA-N 1 0 490.580 3.613 20 0 JHADRO CN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1ccco1)[NH+](C)C)[C@H]1CCSC1 ZINC001314647258 1070749468 /nfs/dbraw/zinc/74/94/68/1070749468.db2.gz OZFATFQPAPUQES-DOTOQJQBSA-N 1 0 479.448 3.884 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCOCC1)c1ccco1 ZINC001314647880 1070751239 /nfs/dbraw/zinc/75/12/39/1070751239.db2.gz VLLMFHDUGSRICV-SFHVURJKSA-N 1 0 478.366 3.969 20 0 JHADRO CCN(CC(C)C)c1nnc(-c2cc(Br)cn2C)n1CCCC[NH+]1CCOCC1 ZINC001313627876 1070757964 /nfs/dbraw/zinc/75/79/64/1070757964.db2.gz NLBQSTPQCNYLKA-UHFFFAOYSA-N 1 0 467.456 3.641 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001314649021 1070753639 /nfs/dbraw/zinc/75/36/39/1070753639.db2.gz KRDHQNRNEKCJAT-YADHBBJMSA-N 1 0 483.661 3.954 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001314651740 1070761716 /nfs/dbraw/zinc/76/17/16/1070761716.db2.gz YAPHBOIMWANUFN-HKUYNNGSSA-N 1 0 469.590 3.520 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001314652637 1070764078 /nfs/dbraw/zinc/76/40/78/1070764078.db2.gz ACEWBZVCFMZCAC-QHCPKHFHSA-N 1 0 491.640 3.624 20 0 JHADRO Cn1cc(Br)cc1-c1nnc(N2CCCCCCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001314653089 1070764710 /nfs/dbraw/zinc/76/47/10/1070764710.db2.gz KFTVMRZJNAHOFR-UHFFFAOYSA-N 1 0 479.467 3.927 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(CO)CC1)C1CC1 ZINC001314653051 1070764797 /nfs/dbraw/zinc/76/47/97/1070764797.db2.gz FOUXELLZUOGYNA-IBGZPJMESA-N 1 0 468.429 3.713 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccccn3)nnc2N(CCO)Cc2ccc(Br)s2)CCC1 ZINC001314654103 1070767652 /nfs/dbraw/zinc/76/76/52/1070767652.db2.gz VPPIXKXXLAFRCB-UHFFFAOYSA-N 1 0 491.459 3.647 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001313634689 1070767707 /nfs/dbraw/zinc/76/77/07/1070767707.db2.gz ASIGWYTXPFFHFO-ISKFKSNPSA-N 1 0 482.673 3.504 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCSC1 ZINC001314654096 1070767825 /nfs/dbraw/zinc/76/78/25/1070767825.db2.gz VOPPVDZTQLADHC-AFMDSPMNSA-N 1 0 484.714 3.772 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)(C)C)CC1)c1cccs1 ZINC001314654172 1070768214 /nfs/dbraw/zinc/76/82/14/1070768214.db2.gz IOUDCMUOESEWEF-LJQANCHMSA-N 1 0 474.675 3.549 20 0 JHADRO CN(C)[C@H](Cn1c(N2CCC[N@H+](Cc3cnn(C)c3)CC2)nnc1C(C)(C)C)c1ccccc1Cl ZINC001314654658 1070769520 /nfs/dbraw/zinc/76/95/20/1070769520.db2.gz VPYUEWGOLHGTFV-HSZRJFAPSA-N 1 0 499.107 3.978 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccco1 ZINC001314654745 1070770078 /nfs/dbraw/zinc/77/00/78/1070770078.db2.gz LNZMQWDLIXUONS-UYAOXDASSA-N 1 0 479.503 3.563 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1ccco1 ZINC001314654799 1070770481 /nfs/dbraw/zinc/77/04/81/1070770481.db2.gz HXKJPPOQHDOCEO-VXKWHMMOSA-N 1 0 493.656 3.539 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001313636430 1070772339 /nfs/dbraw/zinc/77/23/39/1070772339.db2.gz MDKFTAXNBCTBST-CQOQZXRMSA-N 1 0 488.721 3.767 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001314656113 1070774322 /nfs/dbraw/zinc/77/43/22/1070774322.db2.gz PFIGUVKPSRLKGD-NHCUHLMSSA-N 1 0 495.628 3.653 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)C1CCCCC1 ZINC001314657345 1070776345 /nfs/dbraw/zinc/77/63/45/1070776345.db2.gz XXDZKKHTZFQLDS-RPWUZVMVSA-N 1 0 495.716 3.906 20 0 JHADRO CCN(CC)C(=O)CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001313637854 1070777094 /nfs/dbraw/zinc/77/70/94/1070777094.db2.gz OSAQUISMOQXMDE-UHFFFAOYSA-N 1 0 489.064 3.548 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](C(F)F)C2)CCSC1 ZINC001314657899 1070777732 /nfs/dbraw/zinc/77/77/32/1070777732.db2.gz JOOOBLYMNIIDGY-JPYJTQIMSA-N 1 0 465.614 3.818 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CC(C)(C)C)nnc2N2CC[C@@](O)(c3cccc(F)c3)C2)CCSC1 ZINC001314658577 1070779544 /nfs/dbraw/zinc/77/95/44/1070779544.db2.gz DJCDCNSHJZKTTM-ZEQRLZLVSA-N 1 0 461.651 3.541 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)C3CCCCC3)CC2)CCSC1 ZINC001314658595 1070779774 /nfs/dbraw/zinc/77/97/74/1070779774.db2.gz DSSFPCILTKYZBF-VWLOTQADSA-N 1 0 476.735 3.533 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(N3CCN(c4ccccc4Cl)CC3)nnc2C(C)(C)C)CCSC1 ZINC001314660499 1070784327 /nfs/dbraw/zinc/78/43/27/1070784327.db2.gz PSIPUYITBBLGRD-HSZRJFAPSA-N 1 0 463.095 3.993 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001313637613 1070776570 /nfs/dbraw/zinc/77/65/70/1070776570.db2.gz KVJPHDFAGDWOEK-PKTZIBPZSA-N 1 0 455.647 3.772 20 0 JHADRO CN(Cc1ccoc1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C[NH+](C)C ZINC001314662460 1070789320 /nfs/dbraw/zinc/78/93/20/1070789320.db2.gz DUHBTNHZIRXAOM-UHFFFAOYSA-N 1 0 458.994 3.679 20 0 JHADRO CCN(CC)C(=O)CCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001313642637 1070790044 /nfs/dbraw/zinc/79/00/44/1070790044.db2.gz IAHLVAMAEOSGHN-XMMPIXPASA-N 1 0 482.673 3.799 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cc(Br)cc(Br)c1 ZINC001309471353 1070790976 /nfs/dbraw/zinc/79/09/76/1070790976.db2.gz SYEJOTQRMCIWNC-CQSZACIVSA-N 1 0 454.228 3.610 20 0 JHADRO C[NH+](C)C1(Cn2c(N3CCC[C@H](S(=O)(=O)NC4CCCC4)C3)nnc2C(C)(C)C)CCCCC1 ZINC001314661312 1070785875 /nfs/dbraw/zinc/78/58/75/1070785875.db2.gz VKTGQHAFSXNIGX-NRFANRHFSA-N 1 0 494.750 3.671 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001314665043 1070796079 /nfs/dbraw/zinc/79/60/79/1070796079.db2.gz KKLYTZWKDHGRNR-DFBJGRDBSA-N 1 0 454.619 3.636 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)C[NH+](C)C ZINC001314665468 1070797286 /nfs/dbraw/zinc/79/72/86/1070797286.db2.gz HKEHTDDCEYRESD-UHFFFAOYSA-N 1 0 481.542 3.985 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(CC3CC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC001314667102 1070801229 /nfs/dbraw/zinc/80/12/29/1070801229.db2.gz DXCNGCRRFYHBBM-QHCPKHFHSA-N 1 0 465.564 3.870 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001314667533 1070801610 /nfs/dbraw/zinc/80/16/10/1070801610.db2.gz OATUYAAIJOUYRY-FCHUYYIVSA-N 1 0 484.645 3.685 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCCOCC2)c1 ZINC001314667573 1070801853 /nfs/dbraw/zinc/80/18/53/1070801853.db2.gz PRHUTIMIYYIDGX-HSZRJFAPSA-N 1 0 498.672 3.729 20 0 JHADRO CN(Cc1cc(F)cc(F)c1)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001314668101 1070803097 /nfs/dbraw/zinc/80/30/97/1070803097.db2.gz NGBDBUPBFQDZAE-UHFFFAOYSA-N 1 0 498.626 3.955 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001314668512 1070804967 /nfs/dbraw/zinc/80/49/67/1070804967.db2.gz IWEHZWFUUGJQSK-SANMLTNESA-N 1 0 466.630 3.903 20 0 JHADRO C[NH+](C)CCCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC(F)(F)CC2)cc1 ZINC001314669745 1070809195 /nfs/dbraw/zinc/80/91/95/1070809195.db2.gz KAEVNMLQEVSGGR-UHFFFAOYSA-N 1 0 470.568 3.878 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001314668874 1070805814 /nfs/dbraw/zinc/80/58/14/1070805814.db2.gz RRLVTSFKUOCMTP-PKTZIBPZSA-N 1 0 471.646 3.760 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001314669107 1070806502 /nfs/dbraw/zinc/80/65/02/1070806502.db2.gz YCKQDBMBZKKXGB-UHFFFAOYSA-N 1 0 452.647 3.876 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C)(C)CC2)c1 ZINC001314669064 1070806630 /nfs/dbraw/zinc/80/66/30/1070806630.db2.gz VJZWXKFORQOBPA-UHFFFAOYSA-N 1 0 477.613 3.541 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CC(F)F)CC1 ZINC001314669958 1070809708 /nfs/dbraw/zinc/80/97/08/1070809708.db2.gz HKYUHDFMRIUWSF-UHFFFAOYSA-N 1 0 499.031 3.779 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](Oc3ccccn3)C2)cc1 ZINC001314671103 1070813462 /nfs/dbraw/zinc/81/34/62/1070813462.db2.gz KXFDWWFYAHNKFQ-HSZRJFAPSA-N 1 0 478.641 3.908 20 0 JHADRO C[NH+](C)CCOCCn1c(COc2ccccc2F)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001314671816 1070815643 /nfs/dbraw/zinc/81/56/43/1070815643.db2.gz LREWALDWOKQVDW-UHFFFAOYSA-N 1 0 481.563 3.980 20 0 JHADRO CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H](C)C3)cc21 ZINC001309505335 1070815845 /nfs/dbraw/zinc/81/58/45/1070815845.db2.gz GBWUHRXJWOQXHV-WOJBJXKFSA-N 1 0 455.624 3.689 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C3CCCC3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001313649796 1070820148 /nfs/dbraw/zinc/82/01/48/1070820148.db2.gz BZUXJQGVDULVSN-UHFFFAOYSA-N 1 0 459.683 3.786 20 0 JHADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001309515100 1070821256 /nfs/dbraw/zinc/82/12/56/1070821256.db2.gz CCRNWSVVFGJWLN-XMMPIXPASA-N 1 0 455.624 3.956 20 0 JHADRO CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)cc21 ZINC001309518245 1070823525 /nfs/dbraw/zinc/82/35/25/1070823525.db2.gz KXMYFHQFPYKKEO-IBGZPJMESA-N 1 0 455.624 3.880 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001313652630 1070831464 /nfs/dbraw/zinc/83/14/64/1070831464.db2.gz WIUXLHQBWVGEKT-DWLFOUALSA-N 1 0 489.064 3.597 20 0 JHADRO COC(=O)c1cc(C)c(C)c(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001309531950 1070832304 /nfs/dbraw/zinc/83/23/04/1070832304.db2.gz MQZFSTBXDCVJRV-NOTZXAQLSA-N 1 0 456.608 3.954 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313653545 1070833526 /nfs/dbraw/zinc/83/35/26/1070833526.db2.gz BAQRHDKWYZMQNT-JOCHJYFZSA-N 1 0 467.662 3.793 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001313653612 1070833738 /nfs/dbraw/zinc/83/37/38/1070833738.db2.gz BUQIMLCINOKISO-UHFFFAOYSA-N 1 0 474.053 3.667 20 0 JHADRO CN(c1nnc(-c2ccc(F)cc2Br)n1CC1([NH+](C)C)CCOCC1)[C@@H]1CCSC1 ZINC001314683408 1070838706 /nfs/dbraw/zinc/83/87/06/1070838706.db2.gz ZSTWIKVBYHAXMR-MRXNPFEDSA-N 1 0 498.466 3.899 20 0 JHADRO O=C(Nc1ccc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C2CCC2)cc1)c1ccncc1 ZINC001309548416 1070846709 /nfs/dbraw/zinc/84/67/09/1070846709.db2.gz JSMBUDLWOSDDHG-UHFFFAOYSA-N 1 0 456.612 3.753 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313655840 1070847104 /nfs/dbraw/zinc/84/71/04/1070847104.db2.gz AASFCELAUMCVPK-YWZLYKJASA-N 1 0 453.429 3.771 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001313655845 1070847173 /nfs/dbraw/zinc/84/71/73/1070847173.db2.gz ADTSMCDVHJBQAL-MOPGFXCFSA-N 1 0 474.625 3.735 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001313655986 1070847917 /nfs/dbraw/zinc/84/79/17/1070847917.db2.gz CDOQVSABQKBNRP-PGRDOPGGSA-N 1 0 489.661 3.953 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001313656192 1070848862 /nfs/dbraw/zinc/84/88/62/1070848862.db2.gz GOHVLJCTRDRVCS-ZZHADETQSA-N 1 0 459.610 3.885 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](COC)C1 ZINC001313656437 1070850210 /nfs/dbraw/zinc/85/02/10/1070850210.db2.gz BSDBSRCAXRTFOM-IEBWSBKVSA-N 1 0 480.451 3.598 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001313657742 1070857258 /nfs/dbraw/zinc/85/72/58/1070857258.db2.gz UDXLECIAIYPTEP-ZWKOTPCHSA-N 1 0 498.594 3.765 20 0 JHADRO O=S(=O)(c1ccc(F)cc1F)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001309560063 1070857254 /nfs/dbraw/zinc/85/72/54/1070857254.db2.gz BBSDQKZXLREURY-UHFFFAOYSA-N 1 0 455.958 3.594 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001313657994 1070858194 /nfs/dbraw/zinc/85/81/94/1070858194.db2.gz AUSMRVRNYUQABF-BEFAXECRSA-N 1 0 459.982 3.598 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001313657957 1070858383 /nfs/dbraw/zinc/85/83/83/1070858383.db2.gz WABICGUPEJCOPN-WOUAJJJCSA-N 1 0 477.993 3.916 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001313658113 1070859200 /nfs/dbraw/zinc/85/92/00/1070859200.db2.gz XIVOCLRSEJKSOI-YLJYHZDGSA-N 1 0 487.450 3.871 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(Cn2cccn2)CC1 ZINC001313658483 1070859659 /nfs/dbraw/zinc/85/96/59/1070859659.db2.gz ZEWRADAQWSVANB-QGZVFWFLSA-N 1 0 489.466 3.879 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCOC1 ZINC001313660011 1070864077 /nfs/dbraw/zinc/86/40/77/1070864077.db2.gz MZRZNHLYJXVRML-DLBZAZTESA-N 1 0 450.425 3.911 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC001313659035 1070861650 /nfs/dbraw/zinc/86/16/50/1070861650.db2.gz HALLKDRZFSEIIR-NZQKXSOJSA-N 1 0 450.635 3.514 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCC2(CCOCC2)C1)c1ccccc1 ZINC001313663531 1070872028 /nfs/dbraw/zinc/87/20/28/1070872028.db2.gz FHRVEKJFKYOCJQ-QHCPKHFHSA-N 1 0 482.673 3.896 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCSC2(CCOCC2)C1 ZINC001313661778 1070868793 /nfs/dbraw/zinc/86/87/93/1070868793.db2.gz ZKFQJUJACVSTKO-KRWDZBQOSA-N 1 0 465.067 3.826 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001313661914 1070869622 /nfs/dbraw/zinc/86/96/22/1070869622.db2.gz KMIAPTVRHOZWJU-HXUWFJFHSA-N 1 0 451.619 3.595 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@](C)(OC)C1)c1ccccc1 ZINC001313663343 1070872134 /nfs/dbraw/zinc/87/21/34/1070872134.db2.gz COWSHKLCFHZZIG-SQJMNOBHSA-N 1 0 456.635 3.505 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001313662681 1070870938 /nfs/dbraw/zinc/87/09/38/1070870938.db2.gz WBWSVVGQUJPPGS-WOJBJXKFSA-N 1 0 465.646 3.795 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(C2(c3ccccc3)CCC2)n1CC1([NH+](C)C)CCCC1 ZINC001314704980 1070874448 /nfs/dbraw/zinc/87/44/48/1070874448.db2.gz YWDNACNUXIYIHB-UHFFFAOYSA-N 1 0 466.674 3.973 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(F)F)C1)c1ccccc1 ZINC001313664636 1070877306 /nfs/dbraw/zinc/87/73/06/1070877306.db2.gz NLKSDEOZBKDGCW-VQTJNVASSA-N 1 0 462.589 3.981 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313664796 1070877668 /nfs/dbraw/zinc/87/76/68/1070877668.db2.gz OMZAQSGFQRRRPD-RTWAWAEBSA-N 1 0 464.655 3.555 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(F)F)C1)c1ccccc1 ZINC001313664635 1070877688 /nfs/dbraw/zinc/87/76/88/1070877688.db2.gz NLKSDEOZBKDGCW-UXHICEINSA-N 1 0 462.589 3.981 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313664830 1070878099 /nfs/dbraw/zinc/87/80/99/1070878099.db2.gz AKLSVUDSINZCHX-UTKZUKDTSA-N 1 0 461.573 3.828 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)s1 ZINC001313664889 1070878238 /nfs/dbraw/zinc/87/82/38/1070878238.db2.gz OYZHZUDOXXMRDL-LSDHHAIUSA-N 1 0 456.454 3.973 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1)c1ccccc1 ZINC001313665108 1070878822 /nfs/dbraw/zinc/87/88/22/1070878822.db2.gz OLVYRJRURBAYOC-PZJWPPBQSA-N 1 0 476.691 3.598 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC2(CCC2)C1 ZINC001313665255 1070879506 /nfs/dbraw/zinc/87/95/06/1070879506.db2.gz QFKWTXRAXZZBOU-NHCUHLMSSA-N 1 0 490.693 3.882 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001313665966 1070882264 /nfs/dbraw/zinc/88/22/64/1070882264.db2.gz FPEWCEJXFMMHGU-ZYLNGJIFSA-N 1 0 476.666 3.697 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313667733 1070890294 /nfs/dbraw/zinc/89/02/94/1070890294.db2.gz LSKIPWVQMPZACB-HBFSDRIKSA-N 1 0 469.552 3.786 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C)C1)c1ccccc1 ZINC001313666265 1070883997 /nfs/dbraw/zinc/88/39/97/1070883997.db2.gz VONBBUJJDRNHKS-TZIWHRDSSA-N 1 0 479.654 3.950 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H]1C(C)C ZINC001313666316 1070884289 /nfs/dbraw/zinc/88/42/89/1070884289.db2.gz SVASOCZYJVYYOM-UNMCSNQZSA-N 1 0 454.667 3.807 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001313666824 1070886494 /nfs/dbraw/zinc/88/64/94/1070886494.db2.gz VCCGXAJWHQXCLG-MSOLQXFVSA-N 1 0 483.583 3.959 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc([C@H]2CCCCO2)n1CC1([NH+](C)C)CCC1 ZINC001314710936 1070890175 /nfs/dbraw/zinc/89/01/75/1070890175.db2.gz DAMKCBUKLNJYHN-LJQANCHMSA-N 1 0 461.010 3.732 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC001313671514 1070899981 /nfs/dbraw/zinc/89/99/81/1070899981.db2.gz QUGZZNJZOYQYJW-SFHVURJKSA-N 1 0 459.689 3.752 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313668471 1070892222 /nfs/dbraw/zinc/89/22/22/1070892222.db2.gz PIUMWGUURUZTMD-MBOZVWFJSA-N 1 0 485.551 3.752 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001313668617 1070892343 /nfs/dbraw/zinc/89/23/43/1070892343.db2.gz RXGPUVRJLHIZFD-CGXNFDGLSA-N 1 0 476.666 3.696 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001313668596 1070892363 /nfs/dbraw/zinc/89/23/63/1070892363.db2.gz RNWSKJWCYHZLRV-QGZVFWFLSA-N 1 0 498.569 3.633 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001313668805 1070892951 /nfs/dbraw/zinc/89/29/51/1070892951.db2.gz SJWMSZZINGLYBC-OHUGHZGNSA-N 1 0 459.610 3.513 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313669831 1070895639 /nfs/dbraw/zinc/89/56/39/1070895639.db2.gz DMTGODUONLOPDD-HXUWFJFHSA-N 1 0 476.691 3.965 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001313669892 1070895666 /nfs/dbraw/zinc/89/56/66/1070895666.db2.gz FHFPSWYPNYZIRC-JOCHJYFZSA-N 1 0 496.700 3.837 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001313670334 1070896690 /nfs/dbraw/zinc/89/66/90/1070896690.db2.gz YJCSAKGTBUHFBN-BURNTYAHSA-N 1 0 478.682 3.640 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc2c(c1)OCCO2 ZINC001313670482 1070896734 /nfs/dbraw/zinc/89/67/34/1070896734.db2.gz IKOYOJMUKJYTSY-QGZVFWFLSA-N 1 0 470.643 3.772 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001313670497 1070897288 /nfs/dbraw/zinc/89/72/88/1070897288.db2.gz ITVLLECHXKQJCP-GOSISDBHSA-N 1 0 484.670 3.833 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313670522 1070897369 /nfs/dbraw/zinc/89/73/69/1070897369.db2.gz JOBYVNHUPGGXBM-HKUYNNGSSA-N 1 0 462.664 3.764 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(Cc2ccc(Cl)cc2)n1CC[NH+]1CCCCC1 ZINC001314712599 1070898119 /nfs/dbraw/zinc/89/81/19/1070898119.db2.gz RNYUMZDZHKENIV-UHFFFAOYSA-N 1 0 489.108 3.803 20 0 JHADRO CCn1nc(-c2nnc(N(C)OC)n2C[C@@H](c2ccsc2)[NH+](CC)CC)c2ccccc2c1=O ZINC001313670865 1070898165 /nfs/dbraw/zinc/89/81/65/1070898165.db2.gz DGYPRZUOMPSTPR-FQEVSTJZSA-N 1 0 481.626 3.817 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCNC(=O)C1)c1ccsc1 ZINC001313671894 1070901465 /nfs/dbraw/zinc/90/14/65/1070901465.db2.gz CMHOTIXBUDCZNT-LJQANCHMSA-N 1 0 477.009 3.818 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001313672058 1070902708 /nfs/dbraw/zinc/90/27/08/1070902708.db2.gz MHOWNBAHZNSRDU-OALUTQOASA-N 1 0 458.607 3.935 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(F)(F)CC1)c1ccsc1 ZINC001313672389 1070903467 /nfs/dbraw/zinc/90/34/67/1070903467.db2.gz NFQCZGCUIMMITO-IAGOWNOFSA-N 1 0 452.575 3.609 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCOC(C)(C)[C@H]1C)c1ccsc1 ZINC001313672400 1070903941 /nfs/dbraw/zinc/90/39/41/1070903941.db2.gz NJYLBMWRTRJHEI-YLJYHZDGSA-N 1 0 455.632 3.883 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 ZINC001313674049 1070909978 /nfs/dbraw/zinc/90/99/78/1070909978.db2.gz MJCXKAXRRCEPGI-HSZRJFAPSA-N 1 0 464.614 3.988 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC[NH+]1CCC(O)CC1 ZINC001314716790 1070907712 /nfs/dbraw/zinc/90/77/12/1070907712.db2.gz IXLAGZRJTIOXGG-UHFFFAOYSA-N 1 0 493.530 3.962 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC001313673562 1070907776 /nfs/dbraw/zinc/90/77/76/1070907776.db2.gz ZHBCLKMFHPTTOF-IBGZPJMESA-N 1 0 495.697 3.763 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccsc1 ZINC001313673462 1070907875 /nfs/dbraw/zinc/90/78/75/1070907875.db2.gz RRSJUYCJNIGCCI-PXNSSMCTSA-N 1 0 471.631 3.695 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CC(N)=O)C1)c1ccsc1 ZINC001313673641 1070907955 /nfs/dbraw/zinc/90/79/55/1070907955.db2.gz KNEZXENBCYYTLU-NQIIRXRSSA-N 1 0 469.659 3.520 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2ccc(Br)s2)n1CC1([NH+](C)C)CCOCC1 ZINC001314717401 1070908779 /nfs/dbraw/zinc/90/87/79/1070908779.db2.gz ZXPFOTXGYUUVHG-UHFFFAOYSA-N 1 0 482.370 3.878 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cccc3cccnc32)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314719621 1070912840 /nfs/dbraw/zinc/91/28/40/1070912840.db2.gz RUKIAOKTBWSRCA-GOSISDBHSA-N 1 0 462.520 3.729 20 0 JHADRO CN(Cc1c(F)cccc1Cl)c1nnc([C@H]2CCCCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314720200 1070914250 /nfs/dbraw/zinc/91/42/50/1070914250.db2.gz QLOSJFOFFOSWKR-OAQYLSRUSA-N 1 0 479.044 3.975 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=CCC1)c1ccco1 ZINC001313675364 1070915542 /nfs/dbraw/zinc/91/55/42/1070915542.db2.gz SIKVLZLJKRDMTA-QFIPXVFZSA-N 1 0 498.653 3.638 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2CCN(c3nccnc3C)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313676351 1070920333 /nfs/dbraw/zinc/92/03/33/1070920333.db2.gz WHZFGMDAJDAHNG-HXUWFJFHSA-N 1 0 466.634 3.677 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc(CCc2ccccc2)n1CCC[NH+]1CCC(O)CC1 ZINC001314722793 1070921811 /nfs/dbraw/zinc/92/18/11/1070921811.db2.gz RBZXLCPMYJHHQA-UHFFFAOYSA-N 1 0 469.033 3.595 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 ZINC001313676594 1070922061 /nfs/dbraw/zinc/92/20/61/1070922061.db2.gz YAYIOHLFQNIVQH-DHIUTWEWSA-N 1 0 468.646 3.565 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313677420 1070925428 /nfs/dbraw/zinc/92/54/28/1070925428.db2.gz KKHHWPNXQPLZJP-HSZRJFAPSA-N 1 0 493.656 3.635 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1)c1ccccc1 ZINC001313677811 1070926834 /nfs/dbraw/zinc/92/68/34/1070926834.db2.gz LXPMDJUGUNSTMA-HSZRJFAPSA-N 1 0 480.636 3.815 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccco1 ZINC001313678880 1070932389 /nfs/dbraw/zinc/93/23/89/1070932389.db2.gz OZBKRQDNUPEARX-FUHWJXTLSA-N 1 0 495.550 3.847 20 0 JHADRO CCN(CC)c1ccc(Cn2c(N3C[C@H](C)[N@H+](CC)C[C@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)cn1 ZINC001313679710 1070934456 /nfs/dbraw/zinc/93/44/56/1070934456.db2.gz RCBFLZQWICOVKO-OREGWCPLSA-N 1 0 499.704 3.527 20 0 JHADRO COC(=O)C1(CS(=O)(=O)N2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)CCCCC1 ZINC001309723061 1070939442 /nfs/dbraw/zinc/93/94/42/1070939442.db2.gz MDDLGNDJURGGFR-UHFFFAOYSA-N 1 0 450.645 3.815 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc(Cc2ccncc2)n1CC[N@H+]1CC=CCC1 ZINC001314729635 1070944771 /nfs/dbraw/zinc/94/47/71/1070944771.db2.gz NFRKVCWTSINDSX-UHFFFAOYSA-N 1 0 473.444 3.986 20 0 JHADRO CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001313684565 1070945583 /nfs/dbraw/zinc/94/55/83/1070945583.db2.gz KJGKKWBZNXOMOU-SFHVURJKSA-N 1 0 461.680 3.657 20 0 JHADRO CN(Cc1ccc(Cl)c(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314730433 1070947355 /nfs/dbraw/zinc/94/73/55/1070947355.db2.gz SPCUMTKVEKMVIT-GOSISDBHSA-N 1 0 498.068 3.874 20 0 JHADRO CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001313690908 1070950182 /nfs/dbraw/zinc/95/01/82/1070950182.db2.gz ZFZBXDAPRCPWPZ-FQEVSTJZSA-N 1 0 473.622 3.526 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313691548 1070951457 /nfs/dbraw/zinc/95/14/57/1070951457.db2.gz OZHVPMQRXGLWLX-UXGLMHHASA-N 1 0 477.694 3.833 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(Cl)c2)CC1 ZINC001313691775 1070951957 /nfs/dbraw/zinc/95/19/57/1070951957.db2.gz WZOXPESQXUDKLJ-UHFFFAOYSA-N 1 0 468.005 3.938 20 0 JHADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)CC1 ZINC001309739075 1070946778 /nfs/dbraw/zinc/94/67/78/1070946778.db2.gz KNBAASXKMSHINV-IBGZPJMESA-N 1 0 457.036 3.927 20 0 JHADRO CN(Cc1ccc(F)c(F)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314732836 1070953724 /nfs/dbraw/zinc/95/37/24/1070953724.db2.gz IHYZHQXLIRXKPN-OALUTQOASA-N 1 0 460.554 3.508 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001313693580 1070954623 /nfs/dbraw/zinc/95/46/23/1070954623.db2.gz CFDXZDRDVGWHES-FQEVSTJZSA-N 1 0 464.655 3.697 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1ccc(F)c(Br)c1F ZINC001309754410 1070955105 /nfs/dbraw/zinc/95/51/05/1070955105.db2.gz RYANBAXIEKYCHY-ZFWWWQNUSA-N 1 0 459.356 3.774 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 ZINC001313693791 1070955197 /nfs/dbraw/zinc/95/51/97/1070955197.db2.gz OIGBOPJPIXTFSZ-NFBKMPQASA-N 1 0 476.065 3.884 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001313693789 1070955256 /nfs/dbraw/zinc/95/52/56/1070955256.db2.gz FWSOYLIQCDSQCQ-YTTGMZPUSA-N 1 0 459.660 3.566 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)CC1 ZINC001313694714 1070958086 /nfs/dbraw/zinc/95/80/86/1070958086.db2.gz JKXYYIMXTOYYLP-UHFFFAOYSA-N 1 0 450.635 3.929 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001313691800 1070952871 /nfs/dbraw/zinc/95/28/71/1070952871.db2.gz XHARHRFONBCZIB-ROKPMTFOSA-N 1 0 451.631 3.768 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 ZINC001313695352 1070959470 /nfs/dbraw/zinc/95/94/70/1070959470.db2.gz MUNLUWUKSMACHS-IBGZPJMESA-N 1 0 465.602 3.522 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)CCOC)CC1 ZINC001313695309 1070959555 /nfs/dbraw/zinc/95/95/55/1070959555.db2.gz LVRPPSCLLOSYFT-UHFFFAOYSA-N 1 0 481.645 3.967 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001313695739 1070961212 /nfs/dbraw/zinc/96/12/12/1070961212.db2.gz RVLBIEHYSPCTBZ-NRFANRHFSA-N 1 0 498.672 3.531 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC001313695724 1070961285 /nfs/dbraw/zinc/96/12/85/1070961285.db2.gz BAVOBLXSFWQOLB-WOJBJXKFSA-N 1 0 488.702 3.785 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ncccc2N(C)C)CC1 ZINC001313695820 1070961393 /nfs/dbraw/zinc/96/13/93/1070961393.db2.gz CSRGRWURICBUBL-UHFFFAOYSA-N 1 0 477.657 3.985 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001313695945 1070962031 /nfs/dbraw/zinc/96/20/31/1070962031.db2.gz OBRCJPOGXJIMLJ-UHFFFAOYSA-N 1 0 492.615 3.790 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314736504 1070963245 /nfs/dbraw/zinc/96/32/45/1070963245.db2.gz DGTKHWDQPGFTRG-LXFQBKCPSA-N 1 0 487.714 3.911 20 0 JHADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+](C)C)CCC1 ZINC001314736695 1070963817 /nfs/dbraw/zinc/96/38/17/1070963817.db2.gz KQISARILBICSBW-UHFFFAOYSA-N 1 0 485.539 3.648 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnn(C)c3)n2CCSCc2ccccc2)CC1 ZINC001313696591 1070964051 /nfs/dbraw/zinc/96/40/51/1070964051.db2.gz TXOKDRLIDWMKKQ-UHFFFAOYSA-N 1 0 453.660 3.923 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314737083 1070965746 /nfs/dbraw/zinc/96/57/46/1070965746.db2.gz KEKNAVPNHDKEDJ-BBXSLGCESA-N 1 0 471.627 3.789 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2cccc(F)c2)CC1 ZINC001313697229 1070965878 /nfs/dbraw/zinc/96/58/78/1070965878.db2.gz XBKUVNYUWIWFOZ-SFHVURJKSA-N 1 0 455.582 3.596 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001313697603 1070966957 /nfs/dbraw/zinc/96/69/57/1070966957.db2.gz RLJCVWUOAGOXRJ-QHCPKHFHSA-N 1 0 484.689 3.505 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)cc2C)CC1 ZINC001313697586 1070967120 /nfs/dbraw/zinc/96/71/20/1070967120.db2.gz RKVNAZPQZNFEDU-UHFFFAOYSA-N 1 0 452.647 3.684 20 0 JHADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001309787284 1070967683 /nfs/dbraw/zinc/96/76/83/1070967683.db2.gz YVXCTUMARXMDAI-GOSISDBHSA-N 1 0 453.402 3.709 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@H]2CCCO2)n1CC[N@H+](C)C1CCCCC1 ZINC001314737866 1070967779 /nfs/dbraw/zinc/96/77/79/1070967779.db2.gz RMGHCOLUMYMLTC-KCEHZKJRSA-N 1 0 459.660 3.768 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001313697862 1070968245 /nfs/dbraw/zinc/96/82/45/1070968245.db2.gz XMMPALMGIBKVLU-DNQXCXABSA-N 1 0 496.700 3.915 20 0 JHADRO CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001313697955 1070968941 /nfs/dbraw/zinc/96/89/41/1070968941.db2.gz WHDTVCBCTJEVME-ZRBLBEILSA-N 1 0 498.672 3.510 20 0 JHADRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC001309790680 1070969426 /nfs/dbraw/zinc/96/94/26/1070969426.db2.gz PMAMGQQWQUQBTI-MUUNZHRXSA-N 1 0 455.568 3.578 20 0 JHADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314738550 1070969653 /nfs/dbraw/zinc/96/96/53/1070969653.db2.gz YJGSGHSZINCUSE-SFVRFVRKSA-N 1 0 487.695 3.910 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001313698559 1070970968 /nfs/dbraw/zinc/97/09/68/1070970968.db2.gz HOPLCJRGLLWPIM-RBBKRZOGSA-N 1 0 487.092 3.949 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CC[C@H](C)C2)CC1 ZINC001313699020 1070972500 /nfs/dbraw/zinc/97/25/00/1070972500.db2.gz QOFZIXFVMJHENE-XUZZJYLKSA-N 1 0 496.700 3.901 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CC=CCC2)CC1 ZINC001313699132 1070972510 /nfs/dbraw/zinc/97/25/10/1070972510.db2.gz IMOQOCTUKFFOKY-FQEVSTJZSA-N 1 0 471.049 3.945 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2[C@H]2C[C@H]2C)CC1 ZINC001313699405 1070973986 /nfs/dbraw/zinc/97/39/86/1070973986.db2.gz XRBDCINTKXHUEW-APWZRJJASA-N 1 0 495.455 3.735 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cccs2)CC1 ZINC001313699460 1070974230 /nfs/dbraw/zinc/97/42/30/1070974230.db2.gz YSYSOTBAXXDFJO-UHFFFAOYSA-N 1 0 498.722 3.979 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)c1 ZINC001313699794 1070975409 /nfs/dbraw/zinc/97/54/09/1070975409.db2.gz JTUWIUVFZKLBTD-FQEVSTJZSA-N 1 0 477.613 3.507 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001313699924 1070975481 /nfs/dbraw/zinc/97/54/81/1070975481.db2.gz KYXXFRSHKHHDDC-JOCHJYFZSA-N 1 0 484.670 3.567 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)NC(C)C)C1 ZINC001313701226 1070979496 /nfs/dbraw/zinc/97/94/96/1070979496.db2.gz CTFJAEMOXQQHTM-QGZVFWFLSA-N 1 0 465.017 3.820 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001313701483 1070980153 /nfs/dbraw/zinc/98/01/53/1070980153.db2.gz GXGVNMRRQJXHBN-IBGZPJMESA-N 1 0 480.078 3.591 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2c(C)nn(C)c2C)C1 ZINC001313701543 1070980623 /nfs/dbraw/zinc/98/06/23/1070980623.db2.gz ILJCSSWDBKVPOH-FQEVSTJZSA-N 1 0 451.619 3.520 20 0 JHADRO CN(Cc1cccc(C(N)=O)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314742135 1070980774 /nfs/dbraw/zinc/98/07/74/1070980774.db2.gz FKHHGQKIBWMMON-FUPPJEDESA-N 1 0 494.640 3.828 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CCN(CC(F)F)CC2)c1 ZINC001313700239 1070976839 /nfs/dbraw/zinc/97/68/39/1070976839.db2.gz QQDQIMYRRVZZRJ-UHFFFAOYSA-N 1 0 469.584 3.617 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](CC(C)C)C2)c1 ZINC001313700344 1070976876 /nfs/dbraw/zinc/97/68/76/1070976876.db2.gz SFXLOHSNBATCKF-XZOQPEGZSA-N 1 0 452.647 3.992 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](C(F)F)C2)c1 ZINC001313700672 1070978149 /nfs/dbraw/zinc/97/81/49/1070978149.db2.gz XFVOPIYYMOPQDZ-NRFANRHFSA-N 1 0 474.600 3.886 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCOC3)nnc2N(C)CC2COC(C)(C)OC2)c1 ZINC001313703286 1070986818 /nfs/dbraw/zinc/98/68/18/1070986818.db2.gz NGPNEOLCGVVQGN-QHCPKHFHSA-N 1 0 471.646 3.507 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCS(C)(=O)=O)C1 ZINC001313701888 1070982132 /nfs/dbraw/zinc/98/21/32/1070982132.db2.gz KZAONRLGBQHXFP-MOPGFXCFSA-N 1 0 493.743 3.734 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2(O)CCOCC2)C1 ZINC001313702333 1070984221 /nfs/dbraw/zinc/98/42/21/1070984221.db2.gz ORULMDAYXXFUHU-LJQANCHMSA-N 1 0 492.064 3.707 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)CC[C@H]1C ZINC001313703743 1070987999 /nfs/dbraw/zinc/98/79/99/1070987999.db2.gz DUTVUTJGEIIRKJ-NHCUHLMSSA-N 1 0 452.647 3.915 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313703713 1070988072 /nfs/dbraw/zinc/98/80/72/1070988072.db2.gz DENUHBQEIUFTQF-XMMPIXPASA-N 1 0 489.668 3.971 20 0 JHADRO CN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCSCC1 ZINC001314745283 1070988364 /nfs/dbraw/zinc/98/83/64/1070988364.db2.gz YDUKBUAWHDWOMV-UHFFFAOYSA-N 1 0 461.433 3.721 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(Cl)c2C)CC1 ZINC001313703880 1070988560 /nfs/dbraw/zinc/98/85/60/1070988560.db2.gz JGZVGTRVYQGACI-UHFFFAOYSA-N 1 0 496.059 3.649 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001313703821 1070988710 /nfs/dbraw/zinc/98/87/10/1070988710.db2.gz GNWMIGVIFKOYBF-FQEVSTJZSA-N 1 0 472.037 3.695 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccccc2C[NH+](CC)CC)CC1 ZINC001313704077 1070989404 /nfs/dbraw/zinc/98/94/04/1070989404.db2.gz UFNYWNUBTCQMGE-UHFFFAOYSA-N 1 0 469.678 3.875 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC001313704348 1070990507 /nfs/dbraw/zinc/99/05/07/1070990507.db2.gz LHYUQSYCHMLLJJ-QFIPXVFZSA-N 1 0 475.703 3.770 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001313704647 1070991105 /nfs/dbraw/zinc/99/11/05/1070991105.db2.gz YXLNHYTWRCMVEK-HXUWFJFHSA-N 1 0 454.663 3.854 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCOC[C@@H]2C)C1 ZINC001313705110 1070993073 /nfs/dbraw/zinc/99/30/73/1070993073.db2.gz ALWPBNOZSYBKAR-VABKMULXSA-N 1 0 482.673 3.988 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001313705461 1070993680 /nfs/dbraw/zinc/99/36/80/1070993680.db2.gz UGCNZCFOGOWGGJ-AREMUKBSSA-N 1 0 455.647 3.753 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCCN(C(=O)C(C)C)CC2)cc1 ZINC001313705352 1070993730 /nfs/dbraw/zinc/99/37/30/1070993730.db2.gz RILMSXBBSRYAOB-UHFFFAOYSA-N 1 0 477.657 3.858 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCOC2)C1 ZINC001313705919 1070994976 /nfs/dbraw/zinc/99/49/76/1070994976.db2.gz FZGLFIOJVJXKKR-ROUUACIJSA-N 1 0 462.436 3.912 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)C1 ZINC001313705969 1070995014 /nfs/dbraw/zinc/99/50/14/1070995014.db2.gz GOWAMAPTUBVNFZ-GOSISDBHSA-N 1 0 457.610 3.575 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(F)ccc2SC)C1 ZINC001313706242 1070995509 /nfs/dbraw/zinc/99/55/09/1070995509.db2.gz AVTGWDKUSLQUIU-QGZVFWFLSA-N 1 0 457.623 3.756 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCCO2)C1 ZINC001313708022 1070999729 /nfs/dbraw/zinc/99/97/29/1070999729.db2.gz QNBQEOIGEHLFJV-GGAORHGYSA-N 1 0 468.646 3.884 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccnc2OCC(F)(F)F)C1 ZINC001313709315 1071001443 /nfs/dbraw/zinc/00/14/43/1071001443.db2.gz CSNCCJOKDPKYCM-UYAOXDASSA-N 1 0 496.578 3.725 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C(F)(F)C21CCC1 ZINC001313709147 1071001462 /nfs/dbraw/zinc/00/14/62/1071001462.db2.gz GWMKVZCYMTZWFW-UHFFFAOYSA-N 1 0 452.594 3.554 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001313710083 1071003820 /nfs/dbraw/zinc/00/38/20/1071003820.db2.gz AXKNQDIANZMYBJ-DVECYGJZSA-N 1 0 478.037 3.799 20 0 JHADRO C[N@@H+](Cc1ccccc1)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2COCCO2)CC1 ZINC001314750603 1071002198 /nfs/dbraw/zinc/00/21/98/1071002198.db2.gz UZZUBJYURPLHKO-QHCPKHFHSA-N 1 0 455.647 3.631 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C)c2)C1 ZINC001313709495 1071002466 /nfs/dbraw/zinc/00/24/66/1071002466.db2.gz MPJJIYWOFKDFRQ-NRFANRHFSA-N 1 0 466.655 3.794 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC001313709538 1071002597 /nfs/dbraw/zinc/00/25/97/1071002597.db2.gz NHMRUTJNHKHKPX-NZQKXSOJSA-N 1 0 468.646 3.842 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2c(C)noc2C)C1 ZINC001313710893 1071005213 /nfs/dbraw/zinc/00/52/13/1071005213.db2.gz CIQMYVKAGQKJRB-HXUWFJFHSA-N 1 0 452.603 3.699 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001313710820 1071005324 /nfs/dbraw/zinc/00/53/24/1071005324.db2.gz IPDCIGGCTBYTCC-QGZVFWFLSA-N 1 0 495.466 3.542 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313712696 1071009248 /nfs/dbraw/zinc/00/92/48/1071009248.db2.gz VNQYWDSFVWOUIK-JXFKEZNVSA-N 1 0 485.551 3.850 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001313711385 1071006313 /nfs/dbraw/zinc/00/63/13/1071006313.db2.gz MJXMGEVELHDJCT-OALUTQOASA-N 1 0 467.536 3.897 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001313711517 1071006802 /nfs/dbraw/zinc/00/68/02/1071006802.db2.gz DWGIWEPHBIDOQQ-CVEARBPZSA-N 1 0 486.480 3.741 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCS(=O)CC1 ZINC001313711679 1071007021 /nfs/dbraw/zinc/00/70/21/1071007021.db2.gz OZCBTKJCACNWBY-LJQANCHMSA-N 1 0 482.094 3.989 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(=O)NC)CC1 ZINC001313711673 1071007078 /nfs/dbraw/zinc/00/70/78/1071007078.db2.gz FYXWDWVYMQQWFK-UHFFFAOYSA-N 1 0 467.445 3.946 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(NC(=O)OC)c2)C1 ZINC001313712005 1071007617 /nfs/dbraw/zinc/00/76/17/1071007617.db2.gz KCFJWSYLUBOFQM-NRFANRHFSA-N 1 0 477.613 3.659 20 0 JHADRO CCn1nc(-c2nnc(N3CC[C@@H](C[NH+](CC)CC)C3)n2CC(C)(C)SC)c2ccccc2c1=O ZINC001313710334 1071004185 /nfs/dbraw/zinc/00/41/85/1071004185.db2.gz HVADCSCXNDOFKC-IBGZPJMESA-N 1 0 497.713 3.985 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ncccc2N(C)C)C1 ZINC001313710225 1071004317 /nfs/dbraw/zinc/00/43/17/1071004317.db2.gz WNSQOGWDVOQARI-YZUZCNPQSA-N 1 0 483.705 3.874 20 0 JHADRO CN(Cc1ccco1)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314756245 1071010032 /nfs/dbraw/zinc/01/00/32/1071010032.db2.gz CWVGLSGOVOXHOA-UHFFFAOYSA-N 1 0 474.556 3.802 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2nc3cc(OC)ccc3n2C)C1 ZINC001313713708 1071010703 /nfs/dbraw/zinc/01/07/03/1071010703.db2.gz SHOKILAWOUSUGY-IBGZPJMESA-N 1 0 453.635 3.588 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCn2cc(Br)cn2)C1 ZINC001313713748 1071010861 /nfs/dbraw/zinc/01/08/61/1071010861.db2.gz TZAPYFZZKZXWRJ-KRWDZBQOSA-N 1 0 466.472 3.694 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001313714078 1071011583 /nfs/dbraw/zinc/01/15/83/1071011583.db2.gz WIYSTAWQHXXWJG-JOCHJYFZSA-N 1 0 484.664 3.825 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Br)nnc1N1CCC(CC(=O)NC)CC1 ZINC001313714261 1071011699 /nfs/dbraw/zinc/01/16/99/1071011699.db2.gz JOQISOGTTRQLAR-UHFFFAOYSA-N 1 0 491.478 3.792 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001313714352 1071012187 /nfs/dbraw/zinc/01/21/87/1071012187.db2.gz KMLZBFAXYTVRKL-UHFFFAOYSA-N 1 0 467.662 3.691 20 0 JHADRO CN(Cc1cccs1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001314759123 1071014092 /nfs/dbraw/zinc/01/40/92/1071014092.db2.gz SBXGKPMJKSCSNG-HXUWFJFHSA-N 1 0 490.674 3.770 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001313716124 1071015438 /nfs/dbraw/zinc/01/54/38/1071015438.db2.gz OLOSXSBHVMEPFD-CYFREDJKSA-N 1 0 478.037 3.627 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313716001 1071015699 /nfs/dbraw/zinc/01/56/99/1071015699.db2.gz MUFNHPQWCMWRHV-LJQANCHMSA-N 1 0 462.664 3.766 20 0 JHADRO COCc1ccc(OC)c(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC001309914666 1071015671 /nfs/dbraw/zinc/01/56/71/1071015671.db2.gz CVJSBWKCCWAQGV-BJKOFHAPSA-N 1 0 466.603 3.788 20 0 JHADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCCOC2CCSCC2)cc1 ZINC001309928983 1071019936 /nfs/dbraw/zinc/01/99/36/1071019936.db2.gz LPXQQBCSUACDKF-LOSJGSFVSA-N 1 0 474.692 3.795 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC=C(C)C1 ZINC001313717700 1071017315 /nfs/dbraw/zinc/01/73/15/1071017315.db2.gz IQZFBZRWTMQFHX-JOCHJYFZSA-N 1 0 490.693 3.907 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C)(C)CC1 ZINC001313717881 1071017857 /nfs/dbraw/zinc/01/78/57/1071017857.db2.gz KPCZWLGGXDYGNJ-JOCHJYFZSA-N 1 0 457.619 3.775 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313719509 1071020279 /nfs/dbraw/zinc/02/02/79/1071020279.db2.gz QSWZTBYOVHKAFU-YADHBBJMSA-N 1 0 497.688 3.571 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001313719638 1071020664 /nfs/dbraw/zinc/02/06/64/1071020664.db2.gz CCVRFWHNXTYPFV-JOCHJYFZSA-N 1 0 455.603 3.666 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001313720154 1071021110 /nfs/dbraw/zinc/02/11/10/1071021110.db2.gz VAAZCBRPIWBAAX-HSZRJFAPSA-N 1 0 474.694 3.727 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCC[NH+](CC)CC)CCO2)cn1 ZINC001313720452 1071021492 /nfs/dbraw/zinc/02/14/92/1071021492.db2.gz KUYPHQWXQORYTI-DNVJHFABSA-N 1 0 487.693 3.723 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313723692 1071029322 /nfs/dbraw/zinc/02/93/22/1071029322.db2.gz KWCBZTWOOLGZSX-KZNAEPCWSA-N 1 0 459.660 3.861 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001313724098 1071030067 /nfs/dbraw/zinc/03/00/67/1071030067.db2.gz NLDFRHUFKRIEOA-LJQANCHMSA-N 1 0 467.593 3.576 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(C1)CCOCC2 ZINC001313724307 1071030570 /nfs/dbraw/zinc/03/05/70/1071030570.db2.gz PFJPLZVTZUGONA-MRXNPFEDSA-N 1 0 465.440 3.773 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001313723043 1071027342 /nfs/dbraw/zinc/02/73/42/1071027342.db2.gz FGLHWGOPQKOOQL-OAQYLSRUSA-N 1 0 477.661 3.619 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@H](C(C)C)C1 ZINC001313722727 1071027349 /nfs/dbraw/zinc/02/73/49/1071027349.db2.gz BKXRFTWAJZQGPC-NQIIRXRSSA-N 1 0 483.686 3.500 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@H](C)C1 ZINC001313722877 1071027852 /nfs/dbraw/zinc/02/78/52/1071027852.db2.gz GXLYERNAQRRGQP-VQTJNVASSA-N 1 0 476.691 3.552 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001313723181 1071028257 /nfs/dbraw/zinc/02/82/57/1071028257.db2.gz CDSDBBRHVYWKES-CLOONOSVSA-N 1 0 459.610 3.513 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC001313723007 1071028302 /nfs/dbraw/zinc/02/83/02/1071028302.db2.gz KVCAZAZCIXBUSW-LJQANCHMSA-N 1 0 496.656 3.645 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC001313725123 1071031983 /nfs/dbraw/zinc/03/19/83/1071031983.db2.gz FKNLETUWQAMIPB-KPYOPSEVSA-N 1 0 489.686 3.507 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001313725341 1071032692 /nfs/dbraw/zinc/03/26/92/1071032692.db2.gz WVIFVUKHVQFLGX-TZIWHRDSSA-N 1 0 463.630 3.637 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1N1CCOCC1 ZINC001313725545 1071033107 /nfs/dbraw/zinc/03/31/07/1071033107.db2.gz LLHJPBJGFRRWIU-ZJSXRUAMSA-N 1 0 470.662 3.723 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001313725767 1071033571 /nfs/dbraw/zinc/03/35/71/1071033571.db2.gz QXIVUNMAKKIZLU-MOPGFXCFSA-N 1 0 462.589 3.507 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC001309975273 1071034664 /nfs/dbraw/zinc/03/46/64/1071034664.db2.gz KEKAKYWICUTNSU-NTKDMRAZSA-N 1 0 450.583 3.580 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001313726640 1071035045 /nfs/dbraw/zinc/03/50/45/1071035045.db2.gz CRAFIQGEPFHAME-JOCHJYFZSA-N 1 0 494.640 3.760 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001313726692 1071035553 /nfs/dbraw/zinc/03/55/53/1071035553.db2.gz DNFIHNMPZOTBEF-OAQYLSRUSA-N 1 0 477.657 3.920 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001313729021 1071041294 /nfs/dbraw/zinc/04/12/94/1071041294.db2.gz SNNXPMOEJKRBRT-OAQYLSRUSA-N 1 0 492.672 3.671 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(COc2ccc(Cl)cc2)n1CC[NH+]1CCCC1 ZINC001314773198 1071041594 /nfs/dbraw/zinc/04/15/94/1071041594.db2.gz RVPXIYJXLXPPHU-UHFFFAOYSA-N 1 0 464.401 3.630 20 0 JHADRO O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001309993115 1071042909 /nfs/dbraw/zinc/04/29/09/1071042909.db2.gz DHOCJTJWERJQQQ-JOCHJYFZSA-N 1 0 456.612 3.793 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001313730178 1071044084 /nfs/dbraw/zinc/04/40/84/1071044084.db2.gz UOKVJXNNOXZKIB-NFBKMPQASA-N 1 0 468.646 3.590 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](CC)C(C)C ZINC001313731710 1071048156 /nfs/dbraw/zinc/04/81/56/1071048156.db2.gz QDWIOLJOWKJFIC-INIZCTEOSA-N 1 0 474.096 3.652 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314777067 1071049651 /nfs/dbraw/zinc/04/96/51/1071049651.db2.gz IPTRULQZJXJLMF-KRWDZBQOSA-N 1 0 482.942 3.571 20 0 JHADRO CN(CC1CC(F)C1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314785616 1071062734 /nfs/dbraw/zinc/06/27/34/1071062734.db2.gz NCWINQHGLPKZOM-TVPLGVNVSA-N 1 0 462.639 3.574 20 0 JHADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001313738494 1071062812 /nfs/dbraw/zinc/06/28/12/1071062812.db2.gz UKBIPUTVJODJKD-SWGGMNADSA-N 1 0 498.672 3.783 20 0 JHADRO CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC001310022317 1071066521 /nfs/dbraw/zinc/06/65/21/1071066521.db2.gz BQGZRCQXXWWBOD-RTBURBONSA-N 1 0 450.649 3.882 20 0 JHADRO CN(C[C@@H]1CC=CCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314789968 1071067177 /nfs/dbraw/zinc/06/71/77/1071067177.db2.gz IYKPMTCAHJWRCB-SSGKUCQKSA-N 1 0 459.679 3.836 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001313743071 1071070116 /nfs/dbraw/zinc/07/01/16/1071070116.db2.gz ZUUJKOMCPXWEBQ-QHCPKHFHSA-N 1 0 452.647 3.909 20 0 JHADRO CCN(CC)C(=O)COc1cccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001310026813 1071070346 /nfs/dbraw/zinc/07/03/46/1071070346.db2.gz DMRUWEDRMTVDHP-SZPZYZBQSA-N 1 0 450.583 3.530 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc(-c2ccccc2Br)n1CC[NH+]1CCSCC1 ZINC001314797731 1071076105 /nfs/dbraw/zinc/07/61/05/1071076105.db2.gz CLAMGVYZNCFKNH-KRWDZBQOSA-N 1 0 480.476 3.762 20 0 JHADRO C[C@H](CNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)C[NH+]1CCCCC1 ZINC001310043319 1071080407 /nfs/dbraw/zinc/08/04/07/1071080407.db2.gz PJVLRJZFLPAPGD-HSALFYBXSA-N 1 0 450.649 3.597 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CN(CC(F)(F)F)C[C@H]3c3ccccc3)cc2)CC1 ZINC001310037442 1071076760 /nfs/dbraw/zinc/07/67/60/1071076760.db2.gz WQRJYNHNGNDDMG-XZOQPEGZSA-N 1 0 475.559 3.980 20 0 JHADRO C[C@H](CNC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)C[NH+]1CCCCC1 ZINC001310043320 1071080314 /nfs/dbraw/zinc/08/03/14/1071080314.db2.gz PJVLRJZFLPAPGD-SLFFLAALSA-N 1 0 450.649 3.597 20 0 JHADRO CN(C(=O)Nc1cccc(CN2CCCC2=O)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001310059567 1071090757 /nfs/dbraw/zinc/09/07/57/1071090757.db2.gz CSSRKXQOAOMKEB-RPWUZVMVSA-N 1 0 455.647 3.610 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314803321 1071086876 /nfs/dbraw/zinc/08/68/76/1071086876.db2.gz FURSMOIQFWDJDS-SMOZNVCYSA-N 1 0 465.708 3.639 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccccc2OC)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001313751673 1071087073 /nfs/dbraw/zinc/08/70/73/1071087073.db2.gz QGYDZGRELACKBU-HXUWFJFHSA-N 1 0 451.619 3.978 20 0 JHADRO Cc1ccc(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)c(OC[C@H]2CCCO2)c1 ZINC001310059138 1071090156 /nfs/dbraw/zinc/09/01/56/1071090156.db2.gz HSENHTOGWVELHU-HSZRJFAPSA-N 1 0 452.599 3.935 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[N@@H+]1CC ZINC001313753300 1071091402 /nfs/dbraw/zinc/09/14/02/1071091402.db2.gz RBASILZVAQRYHO-HXUWFJFHSA-N 1 0 472.435 3.952 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(OC(F)F)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001314805825 1071092344 /nfs/dbraw/zinc/09/23/44/1071092344.db2.gz DYIHKCHTGPWEBH-GOSISDBHSA-N 1 0 479.572 3.520 20 0 JHADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 ZINC001310064011 1071093360 /nfs/dbraw/zinc/09/33/60/1071093360.db2.gz YADITZAVCJYCDR-HXUWFJFHSA-N 1 0 455.584 3.566 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCCC1 ZINC001314806446 1071094047 /nfs/dbraw/zinc/09/40/47/1071094047.db2.gz JZZCBHAEKKBSHL-MRXNPFEDSA-N 1 0 466.399 3.805 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccccc2F)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313755931 1071096925 /nfs/dbraw/zinc/09/69/25/1071096925.db2.gz SSIUABCMOWZEQO-WOJBJXKFSA-N 1 0 483.636 3.656 20 0 JHADRO C[C@H]1CN(Cc2csc(NC(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)n2)C[C@H](C)O1 ZINC001310088574 1071112416 /nfs/dbraw/zinc/11/24/16/1071112416.db2.gz XCYFLSZNFSHSKN-OALUTQOASA-N 1 0 457.644 3.929 20 0 JHADRO C[C@@H]1CN(Cc2csc(NC(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)n2)C[C@H](C)O1 ZINC001310088573 1071112461 /nfs/dbraw/zinc/11/24/61/1071112461.db2.gz XCYFLSZNFSHSKN-KDURUIRLSA-N 1 0 457.644 3.929 20 0 JHADRO CN(C[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccco2)[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC001314812475 1071109759 /nfs/dbraw/zinc/10/97/59/1071109759.db2.gz WZHZXKLNPPKTLP-SFHLNBCPSA-N 1 0 488.633 3.719 20 0 JHADRO CCN(CC1CC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCSCC1 ZINC001313763984 1071110631 /nfs/dbraw/zinc/11/06/31/1071110631.db2.gz DLNUIUFRVIJKFO-IBGZPJMESA-N 1 0 464.680 3.635 20 0 JHADRO CCN(CC1CC1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001313764139 1071110781 /nfs/dbraw/zinc/11/07/81/1071110781.db2.gz FICNHPNHSFVVKO-NHCUHLMSSA-N 1 0 460.667 3.969 20 0 JHADRO CCN(CC1CCC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCC(C)CC1 ZINC001313768288 1071117160 /nfs/dbraw/zinc/11/71/60/1071117160.db2.gz MQTLRLYBTSJACA-QFIPXVFZSA-N 1 0 490.693 3.945 20 0 JHADRO CCN(CC1CCC1)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001313766142 1071114252 /nfs/dbraw/zinc/11/42/52/1071114252.db2.gz HQNBZMXSBLHRTF-HXUWFJFHSA-N 1 0 474.053 3.563 20 0 JHADRO CC(C)Cc1nnc(NC(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)s1 ZINC001310106617 1071121959 /nfs/dbraw/zinc/12/19/59/1071121959.db2.gz RDRCPYMWEFWISV-UHFFFAOYSA-N 1 0 456.538 3.829 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313772204 1071124186 /nfs/dbraw/zinc/12/41/86/1071124186.db2.gz PKYQGRWAKWFZHC-LEWJYISDSA-N 1 0 488.652 3.589 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001313772821 1071125353 /nfs/dbraw/zinc/12/53/53/1071125353.db2.gz VKBBQRAOMORYQJ-CVDCTZTESA-N 1 0 481.613 3.989 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001313773068 1071126162 /nfs/dbraw/zinc/12/61/62/1071126162.db2.gz XYAHSMVGUAIETG-QAPCUYQASA-N 1 0 465.440 3.534 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+](CC)C1CC1 ZINC001313773086 1071126193 /nfs/dbraw/zinc/12/61/93/1071126193.db2.gz YDFRDLSOQBKIMR-GOSISDBHSA-N 1 0 465.440 3.536 20 0 JHADRO CN(CC1CCOCC1)c1nnc(COc2ccccc2F)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314818182 1071126890 /nfs/dbraw/zinc/12/68/90/1071126890.db2.gz HDUHVIVDLGJZOV-FQEVSTJZSA-N 1 0 457.550 3.755 20 0 JHADRO C[C@@]1(NC(=O)Nc2ccc(S(C)(=O)=O)nc2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001310115724 1071127920 /nfs/dbraw/zinc/12/79/20/1071127920.db2.gz DSKCVNIDEYJBLX-WIOPSUGQSA-N 1 0 464.591 3.665 20 0 JHADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)N(CC)[C@@H]3CC[N@H+](C)C3)c2)c1C(F)(F)F ZINC001310118024 1071131009 /nfs/dbraw/zinc/13/10/09/1071131009.db2.gz JTLHBAZFQIFVTO-MRXNPFEDSA-N 1 0 453.465 3.626 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccccn2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314820388 1071136184 /nfs/dbraw/zinc/13/61/84/1071136184.db2.gz ZNWMQJXKYJJFCW-LJQANCHMSA-N 1 0 456.616 3.540 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(Cc2ccccc2F)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314821770 1071139115 /nfs/dbraw/zinc/13/91/15/1071139115.db2.gz QZBSXKPZABDNHZ-JOCHJYFZSA-N 1 0 473.637 3.964 20 0 JHADRO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC001310129386 1071140816 /nfs/dbraw/zinc/14/08/16/1071140816.db2.gz HYLBYVCYVNVXDX-DVECYGJZSA-N 1 0 451.615 3.785 20 0 JHADRO CN(CCC(F)F)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314823319 1071144251 /nfs/dbraw/zinc/14/42/51/1071144251.db2.gz IISVSOZSJCKVEC-HNNXBMFYSA-N 1 0 472.378 3.646 20 0 JHADRO CN(CCC(F)F)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001314824630 1071147613 /nfs/dbraw/zinc/14/76/13/1071147613.db2.gz COIAXAMANLPKEY-VQTJNVASSA-N 1 0 464.580 3.872 20 0 JHADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3cccc(COCCOc4ccccc4)c3)CC2)C1 ZINC001310141746 1071150784 /nfs/dbraw/zinc/15/07/84/1071150784.db2.gz DFGCSWDYVFJTSL-XMMPIXPASA-N 1 0 452.599 3.526 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)C1)CC(F)(F)F ZINC001313785280 1071158905 /nfs/dbraw/zinc/15/89/05/1071158905.db2.gz KGGORPVHGBNVLD-VQTJNVASSA-N 1 0 486.627 3.757 20 0 JHADRO CN(CCc1cccs1)c1nnc(Cc2ccccc2F)n1CCC[NH+]1CCC(O)CC1 ZINC001314833260 1071167663 /nfs/dbraw/zinc/16/76/63/1071167663.db2.gz MQGOLHYNIWBLEO-UHFFFAOYSA-N 1 0 457.619 3.595 20 0 JHADRO CCN(C[C@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1)CC(F)(F)F ZINC001313787159 1071163696 /nfs/dbraw/zinc/16/36/96/1071163696.db2.gz MALUVENPUIAGQV-VQTJNVASSA-N 1 0 488.643 3.787 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCC[N@@H+]2CC)C1)CC(F)(F)F ZINC001313788175 1071172999 /nfs/dbraw/zinc/17/29/99/1071172999.db2.gz ZFPHEZKNVAAPOJ-PCCBWWKXSA-N 1 0 486.627 3.757 20 0 JHADRO Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c(OC[C@H]2CCCO2)c1 ZINC001310190443 1071195319 /nfs/dbraw/zinc/19/53/19/1071195319.db2.gz ITZABWLFKINGNU-HSZRJFAPSA-N 1 0 453.583 3.831 20 0 JHADRO CN(CCCCCO)c1nnc(-c2ccccc2Br)n1CC[NH+]1CCCCC1 ZINC001314844421 1071198284 /nfs/dbraw/zinc/19/82/84/1071198284.db2.gz IUCXCRALYZDJFU-UHFFFAOYSA-N 1 0 450.425 3.792 20 0 JHADRO CC[N@H+](CCn1c(-c2cc3ccccc3o2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001313804442 1071215247 /nfs/dbraw/zinc/21/52/47/1071215247.db2.gz ACPBOTQJVGBUTD-FQEVSTJZSA-N 1 0 473.643 3.825 20 0 JHADRO CSc1nnnn1-c1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC001310225053 1071219470 /nfs/dbraw/zinc/21/94/70/1071219470.db2.gz WSDLYKIEZFICPW-NRFANRHFSA-N 1 0 451.600 3.979 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1)C(C)C ZINC001313805695 1071221336 /nfs/dbraw/zinc/22/13/36/1071221336.db2.gz NVRYLIDZGMLGPL-HXUWFJFHSA-N 1 0 477.451 3.543 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)C(C)C ZINC001313806250 1071223700 /nfs/dbraw/zinc/22/37/00/1071223700.db2.gz SNRMGXWOGWCUPZ-UHFFFAOYSA-N 1 0 475.703 3.986 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)C ZINC001313806295 1071223776 /nfs/dbraw/zinc/22/37/76/1071223776.db2.gz YAMMIWQPBWXUOO-HNNXBMFYSA-N 1 0 453.429 3.770 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Br)s2)nnc1N1CCC(CCC(N)=O)CC1)C(C)C ZINC001313806843 1071225903 /nfs/dbraw/zinc/22/59/03/1071225903.db2.gz ZSYSHWGWEZHJHJ-UHFFFAOYSA-N 1 0 497.507 3.981 20 0 JHADRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccco1)CCC(F)(F)F ZINC001313806878 1071226710 /nfs/dbraw/zinc/22/67/10/1071226710.db2.gz VHYQWHRKIGTKBT-INIZCTEOSA-N 1 0 456.513 3.625 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](CNC(C)=O)C1)C1CC1 ZINC001313807789 1071230023 /nfs/dbraw/zinc/23/00/23/1071230023.db2.gz ZEKCWQHYHIFVFU-SFHVURJKSA-N 1 0 489.462 3.544 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccn2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1)C(C)C ZINC001313808002 1071230812 /nfs/dbraw/zinc/23/08/12/1071230812.db2.gz HLQNUCQTXXZLJY-QFIPXVFZSA-N 1 0 456.635 3.625 20 0 JHADRO CN(CCCOc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314853715 1071231144 /nfs/dbraw/zinc/23/11/44/1071231144.db2.gz BLUWXVVIUCHHOJ-DEOSSOPVSA-N 1 0 470.618 3.822 20 0 JHADRO CC[N@H+](CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCS[C@@H](C)C1)CCC(F)(F)F ZINC001313809711 1071237933 /nfs/dbraw/zinc/23/79/33/1071237933.db2.gz LUDIACJHNYSCAY-HNNXBMFYSA-N 1 0 495.575 3.810 20 0 JHADRO CC[N@H+](CCn1c(-c2ccccc2OC)nnc1N1CCCN(c2nccs2)CC1)C(C)C ZINC001313809875 1071238621 /nfs/dbraw/zinc/23/86/21/1071238621.db2.gz ZNHPIPPCUJGDNC-UHFFFAOYSA-N 1 0 469.659 3.857 20 0 JHADRO C[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCSCC1)Cc1ccccc1 ZINC001314858859 1071246320 /nfs/dbraw/zinc/24/63/20/1071246320.db2.gz SDEGAXMGQSUOLX-UHFFFAOYSA-N 1 0 461.433 3.721 20 0 JHADRO C[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001314860959 1071251230 /nfs/dbraw/zinc/25/12/30/1071251230.db2.gz OHNXLWBQFBPSED-FQEVSTJZSA-N 1 0 483.592 3.648 20 0 JHADRO C[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OC(C)(C)C)C1)C1CCCCC1 ZINC001314859600 1071248419 /nfs/dbraw/zinc/24/84/19/1071248419.db2.gz YMRCSHZYFSOEEK-NRFANRHFSA-N 1 0 460.667 3.563 20 0 JHADRO CC[N@H+](CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccoc1C)C(C)C ZINC001313812940 1071253058 /nfs/dbraw/zinc/25/30/58/1071253058.db2.gz AMVSYQREHIGZGY-UHFFFAOYSA-N 1 0 466.634 3.720 20 0 JHADRO 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CC[N@H+](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]1c1nncn1C)CCC(F)(F)F ZINC001313821151 1071281693 /nfs/dbraw/zinc/28/16/93/1071281693.db2.gz UBFCCTYNUCBXMN-LJQANCHMSA-N 1 0 494.541 3.752 20 0 JHADRO CC[N@H+](CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)C(C)C ZINC001313821439 1071282489 /nfs/dbraw/zinc/28/24/89/1071282489.db2.gz XAZLVCXWOCLTFT-NLFFAJNJSA-N 1 0 459.610 3.513 20 0 JHADRO CC[N@H+](CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1)C(C)C ZINC001313824480 1071291580 /nfs/dbraw/zinc/29/15/80/1071291580.db2.gz YOILEYGATBLJPT-HKBOAZHASA-N 1 0 476.691 3.881 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314877015 1071294601 /nfs/dbraw/zinc/29/46/01/1071294601.db2.gz DOJNXKXYMIOJTL-FQEVSTJZSA-N 1 0 481.645 3.966 20 0 JHADRO COc1ccc(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cc1NC(=O)C1CCCCC1 ZINC001310312920 1071294798 /nfs/dbraw/zinc/29/47/98/1071294798.db2.gz POLRNAINOOZCKW-UHFFFAOYSA-N 1 0 458.603 3.790 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(C2CCCC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001314877267 1071295169 /nfs/dbraw/zinc/29/51/69/1071295169.db2.gz JNQXBVSDCKDZEC-QHCPKHFHSA-N 1 0 455.647 3.802 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314879066 1071299791 /nfs/dbraw/zinc/29/97/91/1071299791.db2.gz VHMRSSGQOVWXQQ-UHFFFAOYSA-N 1 0 467.662 3.890 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3cccs3)[NH+](C)C)CCO2)cn1 ZINC001313833073 1071307381 /nfs/dbraw/zinc/30/73/81/1071307381.db2.gz QAPVGALWWZAEGC-MOPGFXCFSA-N 1 0 457.648 3.734 20 0 JHADRO CN(CCOc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+](C)C)CCCCC1 ZINC001314880208 1071303336 /nfs/dbraw/zinc/30/33/36/1071303336.db2.gz RQHBTANPKSFOLA-UHFFFAOYSA-N 1 0 495.603 3.844 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc([C@@H](C)Oc4ccccc4F)n3CC[N@H+](C)C(C)C)CCO2)cn1 ZINC001313833429 1071308586 /nfs/dbraw/zinc/30/85/86/1071308586.db2.gz UGSNLSGRLTXELX-AUSIDOKSSA-N 1 0 485.608 3.692 20 0 JHADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)Nc3ccc(F)cc3OCC3CC3)c2)C1 ZINC001310327154 1071309925 /nfs/dbraw/zinc/30/99/25/1071309925.db2.gz IQVOGAZULPTNGE-HXUWFJFHSA-N 1 0 454.546 3.634 20 0 JHADRO CCn1cc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001313835773 1071314332 /nfs/dbraw/zinc/31/43/32/1071314332.db2.gz JRTRIWCDIPVKSS-HDICACEKSA-N 1 0 487.052 3.734 20 0 JHADRO CN(CCOc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314883206 1071310365 /nfs/dbraw/zinc/31/03/65/1071310365.db2.gz ZSJPGTKYOFHOBJ-QFIPXVFZSA-N 1 0 486.636 3.679 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCOCC[NH+](C)C)CCO2)cn1 ZINC001313834932 1071312669 /nfs/dbraw/zinc/31/26/69/1071312669.db2.gz NJGXUHBESUUKPX-XMMPIXPASA-N 1 0 495.672 3.615 20 0 JHADRO CC(C)[C@@H](CNC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[NH+]1CCC(C)CC1 ZINC001310332540 1071314133 /nfs/dbraw/zinc/31/41/33/1071314133.db2.gz XVSNSJJNIGNYMP-LJQANCHMSA-N 1 0 456.628 3.781 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCCC[C@H]3C)CCO2)cn1 ZINC001313835994 1071315434 /nfs/dbraw/zinc/31/54/34/1071315434.db2.gz RSNOIOPODRFFEM-IFMALSPDSA-N 1 0 457.667 3.926 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C1CC1 ZINC001310342455 1071325144 /nfs/dbraw/zinc/32/51/44/1071325144.db2.gz OOPZMIAFGBCZIU-FQEVSTJZSA-N 1 0 450.992 3.744 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCCCCC2)cn1 ZINC001313841336 1071325809 /nfs/dbraw/zinc/32/58/09/1071325809.db2.gz AMJNSOWGBKHLET-FGZHOGPDSA-N 1 0 457.667 3.926 20 0 JHADRO CS(=O)(=O)NCc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001310339613 1071322714 /nfs/dbraw/zinc/32/27/14/1071322714.db2.gz GEFSCRLAICIPLT-LOSJGSFVSA-N 1 0 478.618 3.526 20 0 JHADRO CCn1cc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cn1 ZINC001313841641 1071326417 /nfs/dbraw/zinc/32/64/17/1071326417.db2.gz WVGMSDKXJTZXSN-QHCPKHFHSA-N 1 0 450.635 3.627 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OC)c(N2CCOC2=O)c1 ZINC001310359091 1071337026 /nfs/dbraw/zinc/33/70/26/1071337026.db2.gz TVQHRDQULCIZFP-HXUWFJFHSA-N 1 0 453.543 3.565 20 0 JHADRO CCn1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)cn1 ZINC001313848937 1071342711 /nfs/dbraw/zinc/34/27/11/1071342711.db2.gz PDSDCFMVRFLLHW-UHFFFAOYSA-N 1 0 458.010 3.696 20 0 JHADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC001310369606 1071346212 /nfs/dbraw/zinc/34/62/12/1071346212.db2.gz GLDZFFBYBWRIHX-DRKIFQHWSA-N 1 0 455.502 3.592 20 0 JHADRO Cc1cc(NC(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC001310377491 1071352159 /nfs/dbraw/zinc/35/21/59/1071352159.db2.gz TWCLTBHTXPSPFO-YADARESESA-N 1 0 455.603 3.905 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1cccc(Cn2nc(C)nc2C)c1 ZINC001310379411 1071353948 /nfs/dbraw/zinc/35/39/48/1071353948.db2.gz OYGFXYAWQKFWRB-ILBGXUMGSA-N 1 0 462.598 3.602 20 0 JHADRO CCn1cnnc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001313853725 1071351914 /nfs/dbraw/zinc/35/19/14/1071351914.db2.gz CHLLFJVPURLJRB-UHFFFAOYSA-N 1 0 450.635 3.680 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CC(F)(F)CO2)C[C@@H]1C ZINC001313858527 1071359221 /nfs/dbraw/zinc/35/92/21/1071359221.db2.gz BKLSNTLGTWEBRP-RLFYNMQTSA-N 1 0 471.499 3.890 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(F)ccc3Br)n2Cc2cnn(C)c2C)C[C@H]1C ZINC001313858353 1071359603 /nfs/dbraw/zinc/35/96/03/1071359603.db2.gz APUBNGJDOQQKGW-HUUCEWRRSA-N 1 0 490.425 3.856 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nccn2C(F)F)C[C@@H]1C ZINC001313858533 1071359704 /nfs/dbraw/zinc/35/97/04/1071359704.db2.gz BLBYNGUFYUZYAD-JKSUJKDBSA-N 1 0 475.544 3.521 20 0 JHADRO CCn1cnnc1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001313856560 1071356077 /nfs/dbraw/zinc/35/60/77/1071356077.db2.gz YKECBMMYGBJYLE-UHFFFAOYSA-N 1 0 480.661 3.690 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC(F)(F)Br ZINC001314915188 1071356902 /nfs/dbraw/zinc/35/69/02/1071356902.db2.gz GJTMSBKVIQVGDV-UHFFFAOYSA-N 1 0 459.383 3.830 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(F)F)c2)C[C@H]1C ZINC001313857911 1071357048 /nfs/dbraw/zinc/35/70/48/1071357048.db2.gz DVXLMFVPEVECJX-QZTJIDSGSA-N 1 0 460.573 3.593 20 0 JHADRO Cn1cc(Br)cc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1=O ZINC001310388115 1071360977 /nfs/dbraw/zinc/36/09/77/1071360977.db2.gz URJZNSDUZPUPIW-ZIFCJYIRSA-N 1 0 459.388 3.570 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)C[C@H]1C ZINC001313858751 1071361546 /nfs/dbraw/zinc/36/15/46/1071361546.db2.gz HURZHRAFVZNWFP-FSSWDIPSSA-N 1 0 454.663 3.589 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2csc(COC)n2)C[C@H]1C ZINC001313859013 1071362601 /nfs/dbraw/zinc/36/26/01/1071362601.db2.gz ITIFCORNJXNYMK-MOPGFXCFSA-N 1 0 497.669 3.717 20 0 JHADRO 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3.551 20 0 JHADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C(C)(F)F)cc2)CC1 ZINC001314925350 1071368412 /nfs/dbraw/zinc/36/84/12/1071368412.db2.gz XHLQETATAJJLOE-NRFANRHFSA-N 1 0 488.627 3.770 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001314928933 1071372066 /nfs/dbraw/zinc/37/20/66/1071372066.db2.gz QMQMDBIGSLTUEA-XLIONFOSSA-N 1 0 490.599 3.759 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](F)COC)C[C@@H]1C ZINC001313860359 1071369190 /nfs/dbraw/zinc/36/91/90/1071369190.db2.gz JQVZVFFKUYMHJD-DWRORGKVSA-N 1 0 453.990 3.975 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001314928025 1071370730 /nfs/dbraw/zinc/37/07/30/1071370730.db2.gz JQQAYQQCPLSXLO-IBGZPJMESA-N 1 0 465.568 3.535 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001314929726 1071372683 /nfs/dbraw/zinc/37/26/83/1071372683.db2.gz YFJBKDWPVHWFAB-KXBFYZLASA-N 1 0 463.001 3.560 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCSC)C[C@H]1C ZINC001313861267 1071373214 /nfs/dbraw/zinc/37/32/14/1071373214.db2.gz PSRQLTMYYCZMQL-IAGOWNOFSA-N 1 0 465.067 3.534 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CCCCSC)c2ccccc2c1=O ZINC001313861078 1071373362 /nfs/dbraw/zinc/37/33/62/1071373362.db2.gz BVNDXDKHCFKZHX-RTBURBONSA-N 1 0 483.686 3.737 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nnc(C)s2)C[C@H]1C ZINC001313862436 1071377427 /nfs/dbraw/zinc/37/74/27/1071377427.db2.gz AEUZBLGLQFYJDD-HUUCEWRRSA-N 1 0 476.050 3.929 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCS2)C[C@H]1C ZINC001313861702 1071375289 /nfs/dbraw/zinc/37/52/89/1071375289.db2.gz QTNZUCFXLQIKGI-AOIWGVFYSA-N 1 0 475.659 3.785 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C ZINC001313863791 1071383155 /nfs/dbraw/zinc/38/31/55/1071383155.db2.gz BAYOGSBANFXYNB-JENIJYKNSA-N 1 0 467.536 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CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001313906897 1071525687 /nfs/dbraw/zinc/52/56/87/1071525687.db2.gz SQAZGBYVXAGQFO-UEVCKROQSA-N 1 0 468.646 3.883 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001313905565 1071521883 /nfs/dbraw/zinc/52/18/83/1071521883.db2.gz VMMXFGXZNMZUTJ-YFVAEKQCSA-N 1 0 492.462 3.965 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313906104 1071523636 /nfs/dbraw/zinc/52/36/36/1071523636.db2.gz SLJYCOATTPLBTN-RTBURBONSA-N 1 0 495.466 3.540 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001315002163 1071526375 /nfs/dbraw/zinc/52/63/75/1071526375.db2.gz UHFZZXLTINXLGD-DWACAAAGSA-N 1 0 480.701 3.926 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001313907124 1071526376 /nfs/dbraw/zinc/52/63/76/1071526376.db2.gz YCXCUILXKFIPHR-ZRNYENFQSA-N 1 0 476.666 3.537 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313907575 1071528008 /nfs/dbraw/zinc/52/80/08/1071528008.db2.gz IIGXHTBQIYPSTO-DENIHFKCSA-N 1 0 454.663 3.935 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313908204 1071529601 /nfs/dbraw/zinc/52/96/01/1071529601.db2.gz BHPCVOYWUFNPRQ-SFHVURJKSA-N 1 0 451.619 3.652 20 0 JHADRO CNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001315005264 1071531543 /nfs/dbraw/zinc/53/15/43/1071531543.db2.gz XXYGERIDCLAWFW-UHFFFAOYSA-N 1 0 466.674 3.796 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001313909104 1071531596 /nfs/dbraw/zinc/53/15/96/1071531596.db2.gz MZOYVRYYWWQKEC-QFIPXVFZSA-N 1 0 468.646 3.699 20 0 JHADRO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[NH+]2CCC(C)CC2)CCO1 ZINC001315007119 1071533420 /nfs/dbraw/zinc/53/34/20/1071533420.db2.gz KEYKPQBDIOBCIO-XMMPIXPASA-N 1 0 496.700 3.706 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313913083 1071541877 /nfs/dbraw/zinc/54/18/77/1071541877.db2.gz KJBUAYWDDDOGMQ-UNMCSNQZSA-N 1 0 482.673 3.731 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCCN(C(=O)c3ccccc3F)CC2)nnc1C(C)(C)C ZINC001313911582 1071537795 /nfs/dbraw/zinc/53/77/95/1071537795.db2.gz DKFOIJGSRBMWDM-HXUWFJFHSA-N 1 0 470.637 3.942 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001313911766 1071538234 /nfs/dbraw/zinc/53/82/34/1071538234.db2.gz LULSFQYTFRYHTH-UYAOXDASSA-N 1 0 499.603 3.710 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912615 1071540716 /nfs/dbraw/zinc/54/07/16/1071540716.db2.gz VCRNRBDLYANMBB-VQTJNVASSA-N 1 0 471.650 3.509 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(Br)C1 ZINC001313910864 1071537018 /nfs/dbraw/zinc/53/70/18/1071537018.db2.gz ZWECHGBBNWJBCP-QGZVFWFLSA-N 1 0 493.475 3.633 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001315023449 1071545304 /nfs/dbraw/zinc/54/53/04/1071545304.db2.gz ILVWMYABUBFQDQ-UHFFFAOYSA-N 1 0 482.673 3.701 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313914373 1071546830 /nfs/dbraw/zinc/54/68/30/1071546830.db2.gz MSMUXGLMLNDWCQ-RLWLMLJZSA-N 1 0 477.694 3.977 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[N@H+]1CC=CCC1 ZINC001315024522 1071547388 /nfs/dbraw/zinc/54/73/88/1071547388.db2.gz DYPHXDDFVVRJON-UHFFFAOYSA-N 1 0 479.654 3.601 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cnccn1 ZINC001313914861 1071548856 /nfs/dbraw/zinc/54/88/56/1071548856.db2.gz OMCOOXXBWUSYQF-VXKWHMMOSA-N 1 0 498.676 3.693 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001315026630 1071552308 /nfs/dbraw/zinc/55/23/08/1071552308.db2.gz JZQQBNIZOSDDAL-UHFFFAOYSA-N 1 0 496.059 3.990 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001315027672 1071554422 /nfs/dbraw/zinc/55/44/22/1071554422.db2.gz WWOPCSOITRVHBJ-XMMPIXPASA-N 1 0 496.700 3.545 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001315027667 1071554459 /nfs/dbraw/zinc/55/44/59/1071554459.db2.gz WWBKLPILYZDGHO-VWLOTQADSA-N 1 0 480.701 3.926 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313920692 1071559144 /nfs/dbraw/zinc/55/91/44/1071559144.db2.gz LORUHLZVPIILAB-ICSRJNTNSA-N 1 0 494.656 3.904 20 0 JHADRO CCN1CCCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001313920101 1071558741 /nfs/dbraw/zinc/55/87/41/1071558741.db2.gz BFZVLPJSUBRYLR-ZRZAMGCNSA-N 1 0 496.700 3.715 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(Cc2ccccc2C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315030140 1071558898 /nfs/dbraw/zinc/55/88/98/1071558898.db2.gz QPHLYQDQZMFJMD-RXFWQSSRSA-N 1 0 454.663 3.650 20 0 JHADRO CNC(=O)CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315031182 1071560499 /nfs/dbraw/zinc/56/04/99/1071560499.db2.gz FJHJIKWCCKXTGQ-XHNVNVPESA-N 1 0 474.625 3.640 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001315033007 1071563787 /nfs/dbraw/zinc/56/37/87/1071563787.db2.gz NJVWZKMXCPAGGQ-UHFFFAOYSA-N 1 0 495.068 3.672 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC[C@H](COC)C2)CC1 ZINC001313926159 1071575526 /nfs/dbraw/zinc/57/55/26/1071575526.db2.gz AGRIWZBGVZXFCF-DQEYMECFSA-N 1 0 498.716 3.753 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313924623 1071571036 /nfs/dbraw/zinc/57/10/36/1071571036.db2.gz HMSYFCIFDMALIW-SFHVURJKSA-N 1 0 478.563 3.679 20 0 JHADRO CNC(=O)CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315038933 1071571859 /nfs/dbraw/zinc/57/18/59/1071571859.db2.gz GDGRHKNMKDTGPO-FNZWTVRRSA-N 1 0 470.662 3.557 20 0 JHADRO CNC(=O)CCN(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001315041532 1071573733 /nfs/dbraw/zinc/57/37/33/1071573733.db2.gz XBOTXKQLAMCUOB-JOCHJYFZSA-N 1 0 454.663 3.741 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001313925824 1071574656 /nfs/dbraw/zinc/57/46/56/1071574656.db2.gz BBBKQQFSABBHFX-LADGPHEKSA-N 1 0 452.691 3.962 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC001313925907 1071574787 /nfs/dbraw/zinc/57/47/87/1071574787.db2.gz VIIWEGAZHDFPRW-GOSISDBHSA-N 1 0 475.563 3.954 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC001313925908 1071574960 /nfs/dbraw/zinc/57/49/60/1071574960.db2.gz VIIWEGAZHDFPRW-SFHVURJKSA-N 1 0 475.563 3.954 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001313926658 1071577049 /nfs/dbraw/zinc/57/70/49/1071577049.db2.gz DYGMMHIQORTVBS-PKTZIBPZSA-N 1 0 484.689 3.504 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001313926659 1071577659 /nfs/dbraw/zinc/57/76/59/1071577659.db2.gz DYGMMHIQORTVBS-XZOQPEGZSA-N 1 0 484.689 3.504 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC001313927183 1071579318 /nfs/dbraw/zinc/57/93/18/1071579318.db2.gz HLEGFJKPNJWCEK-NFBKMPQASA-N 1 0 472.653 3.610 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(SC)c(OC)c2)CC1 ZINC001313927740 1071581402 /nfs/dbraw/zinc/58/14/02/1071581402.db2.gz NDVRRJBVZDCAQH-TZIWHRDSSA-N 1 0 488.702 3.523 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313927801 1071582032 /nfs/dbraw/zinc/58/20/32/1071582032.db2.gz NKQPVTNGAYJNGG-GOTSBHOMSA-N 1 0 484.689 3.540 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313928247 1071583078 /nfs/dbraw/zinc/58/30/78/1071583078.db2.gz SYYLXJGZEDUILL-FIPFOOKPSA-N 1 0 498.716 3.833 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(C(C)C)nnc3N3CCO[C@@](C)(C(C)(C)C)C3)cn2)CC1 ZINC001313929077 1071585906 /nfs/dbraw/zinc/58/59/06/1071585906.db2.gz XJDPDTDTYKMMTN-AREMUKBSSA-N 1 0 469.678 3.628 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(OCCCOC)c2)C[C@H]1C ZINC001313930484 1071589372 /nfs/dbraw/zinc/58/93/72/1071589372.db2.gz DAKMGBUZWBXCNZ-LJQANCHMSA-N 1 0 453.587 3.841 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2cccs2)C[C@@H]1C ZINC001313930295 1071589687 /nfs/dbraw/zinc/58/96/87/1071589687.db2.gz BJGBRRTZOFPHJY-INIZCTEOSA-N 1 0 490.580 3.568 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCCCC[NH+]2CCCC2)C1 ZINC001315080525 1071590369 /nfs/dbraw/zinc/59/03/69/1071590369.db2.gz VMEXTWARKWPOSG-NRFANRHFSA-N 1 0 455.603 3.609 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(-c3cccn3C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001315081964 1071590925 /nfs/dbraw/zinc/59/09/25/1071590925.db2.gz PIGXFHJDWONTMR-UNMCSNQZSA-N 1 0 464.614 3.584 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCc2cn[nH]c2)C[C@@H]1C ZINC001313931019 1071591157 /nfs/dbraw/zinc/59/11/57/1071591157.db2.gz FFFRNQUUJFFDNU-INIZCTEOSA-N 1 0 458.408 3.512 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313931401 1071591955 /nfs/dbraw/zinc/59/19/55/1071591955.db2.gz YSLAVCGGPYZWND-LJQANCHMSA-N 1 0 459.708 3.532 20 0 JHADRO COC(=O)[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001315089899 1071593481 /nfs/dbraw/zinc/59/34/81/1071593481.db2.gz QXIOBNYTOUIKKW-IRXDYDNUSA-N 1 0 461.994 3.555 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@H](C)COC)C[C@H]1C ZINC001313933702 1071599289 /nfs/dbraw/zinc/59/92/89/1071599289.db2.gz QATQFYMWVSWOTR-WOJBJXKFSA-N 1 0 453.587 3.930 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CC=CCO2)C[C@@H]1C ZINC001313934324 1071602337 /nfs/dbraw/zinc/60/23/37/1071602337.db2.gz UCCGHAUZBOJYKM-WMZOPIPTSA-N 1 0 476.419 3.592 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)(C)C)nnc3N(C)OC3CCCC3)cn2)CC1 ZINC001313934422 1071602410 /nfs/dbraw/zinc/60/24/10/1071602410.db2.gz QYLNXWLFSOAKAT-UHFFFAOYSA-N 1 0 455.651 3.762 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)C)nnc3N(C)CCc3cccs3)cn2)CC1 ZINC001313935700 1071606626 /nfs/dbraw/zinc/60/66/26/1071606626.db2.gz ZKNCKIIHFBWERB-UHFFFAOYSA-N 1 0 467.687 3.802 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccco2)C[C@@H]1C ZINC001313936315 1071607828 /nfs/dbraw/zinc/60/78/28/1071607828.db2.gz DFNIYBFMYKCOKC-OALUTQOASA-N 1 0 458.607 3.564 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCCc2cnn(C)c2)C[C@@H]1C ZINC001313936146 1071607987 /nfs/dbraw/zinc/60/79/87/1071607987.db2.gz MBJMWQMOTQKHMA-KRWDZBQOSA-N 1 0 472.435 3.604 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCCC(C)C)C[C@@H]1C ZINC001313935982 1071608028 /nfs/dbraw/zinc/60/80/28/1071608028.db2.gz AQTHVUFKTKTDPC-FCHUYYIVSA-N 1 0 492.709 3.986 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)c2nccs2)C[C@H]1C ZINC001313937095 1071610145 /nfs/dbraw/zinc/61/01/45/1071610145.db2.gz SFVQKULRXLAFOP-IAGOWNOFSA-N 1 0 456.616 3.753 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@](C)(O)C2CC2)C[C@@H]1C ZINC001313937446 1071610162 /nfs/dbraw/zinc/61/01/62/1071610162.db2.gz ULJPUIWKPJXJSA-LHSJRXKWSA-N 1 0 466.399 3.538 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@](C)(O)C2CC2)C[C@H]1C ZINC001313937448 1071610245 /nfs/dbraw/zinc/61/02/45/1071610245.db2.gz ULJPUIWKPJXJSA-SPLOXXLWSA-N 1 0 466.399 3.538 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCOC)C[C@@H]1C ZINC001313937380 1071610806 /nfs/dbraw/zinc/61/08/06/1071610806.db2.gz LWBHQMKKXUMBOE-LEWJYISDSA-N 1 0 478.682 3.740 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313939004 1071612871 /nfs/dbraw/zinc/61/28/71/1071612871.db2.gz ZQBSENKGRUYRBF-BHDDXSALSA-N 1 0 490.693 3.882 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCc3ccccc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313940978 1071616238 /nfs/dbraw/zinc/61/62/38/1071616238.db2.gz RDRMNPRZJKBWCU-FQEVSTJZSA-N 1 0 478.607 3.868 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313941657 1071618299 /nfs/dbraw/zinc/61/82/99/1071618299.db2.gz FCAKZDRIYWQROI-LJQANCHMSA-N 1 0 477.579 3.696 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313942349 1071619712 /nfs/dbraw/zinc/61/97/12/1071619712.db2.gz PQZFXRAEESVDQF-FXAWDEMLSA-N 1 0 477.535 3.629 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccccc4C)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001313945686 1071626745 /nfs/dbraw/zinc/62/67/45/1071626745.db2.gz TWHHXBRJSOMZJR-FYYLOGMGSA-N 1 0 454.663 3.531 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCCOC(F)F)C2)CC1 ZINC001313945635 1071626764 /nfs/dbraw/zinc/62/67/64/1071626764.db2.gz RZFWINMKSMFZNA-KRWDZBQOSA-N 1 0 486.970 3.583 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CCCCOc2ccc(F)cc2)C[C@@H]1C ZINC001313945979 1071627771 /nfs/dbraw/zinc/62/77/71/1071627771.db2.gz MUWHFNFHOLWOEV-FQEVSTJZSA-N 1 0 452.578 3.793 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1C ZINC001313945973 1071627870 /nfs/dbraw/zinc/62/78/70/1071627870.db2.gz MSOOPMGNELCZBL-AWEZNQCLSA-N 1 0 499.944 3.992 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)cc2C(F)(F)F)C[C@H]1C ZINC001313944048 1071623960 /nfs/dbraw/zinc/62/39/60/1071623960.db2.gz ADJVXEDQNRUXBI-QGZVFWFLSA-N 1 0 474.531 3.870 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313946193 1071627967 /nfs/dbraw/zinc/62/79/67/1071627967.db2.gz PJMZUOCRAZDCPR-SFHVURJKSA-N 1 0 474.625 3.842 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCc3csc(C(C)C)n3)C2)CC1 ZINC001313946976 1071630424 /nfs/dbraw/zinc/63/04/24/1071630424.db2.gz IPJOCPHEVVXDOR-NRFANRHFSA-N 1 0 473.735 3.906 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCn2ccnc2C)C[C@H]1C ZINC001313947111 1071630976 /nfs/dbraw/zinc/63/09/76/1071630976.db2.gz FIKURXIIGWBVKZ-OAQYLSRUSA-N 1 0 451.619 3.681 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc4cccnc43)nnc2N(C)CCC(F)F)CC1 ZINC001313947982 1071633361 /nfs/dbraw/zinc/63/33/61/1071633361.db2.gz BDQIXGSDLMXTFV-IBGZPJMESA-N 1 0 471.600 3.858 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCOc3ccc(F)c(Cl)c3)C2)CC1 ZINC001313948536 1071634066 /nfs/dbraw/zinc/63/40/66/1071634066.db2.gz RCHGKCWTLOIBKK-IBGZPJMESA-N 1 0 493.071 3.954 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCCC2(C)C)CC1 ZINC001313949083 1071635153 /nfs/dbraw/zinc/63/51/53/1071635153.db2.gz HMPZPCRLKJAATJ-HXUWFJFHSA-N 1 0 470.662 3.615 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(COC)c2)C[C@H]1C ZINC001313950078 1071637620 /nfs/dbraw/zinc/63/76/20/1071637620.db2.gz SZSVEDOQAYVWFS-UEVCKROQSA-N 1 0 455.647 3.922 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313950445 1071638727 /nfs/dbraw/zinc/63/87/27/1071638727.db2.gz PHYLZGJCAMTKJC-PKOBYXMFSA-N 1 0 468.568 3.899 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC(C(=O)c4ccc(O)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313950625 1071639283 /nfs/dbraw/zinc/63/92/83/1071639283.db2.gz AXGVNUYDHPTOBU-OAQYLSRUSA-N 1 0 496.700 3.654 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313951260 1071641200 /nfs/dbraw/zinc/64/12/00/1071641200.db2.gz SIDHQLVQPGYLBL-URXFXBBRSA-N 1 0 486.730 3.949 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313951316 1071641775 /nfs/dbraw/zinc/64/17/75/1071641775.db2.gz FPXRJBTVMSGXOG-HXUWFJFHSA-N 1 0 470.637 3.816 20 0 JHADRO CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001313952010 1071643581 /nfs/dbraw/zinc/64/35/81/1071643581.db2.gz CLZZZPUCYKYHOR-NRFANRHFSA-N 1 0 491.725 3.512 20 0 JHADRO CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001313951966 1071643691 /nfs/dbraw/zinc/64/36/91/1071643691.db2.gz CGJHZSPKVYVCMV-HXUWFJFHSA-N 1 0 453.660 3.702 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001313952339 1071644959 /nfs/dbraw/zinc/64/49/59/1071644959.db2.gz ZCTKYJFILHNHTA-PCCBWWKXSA-N 1 0 491.080 3.570 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC001313952498 1071645838 /nfs/dbraw/zinc/64/58/38/1071645838.db2.gz FMJONOFKSVFCHB-LJQANCHMSA-N 1 0 458.626 3.603 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cccn3C)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001313952746 1071646449 /nfs/dbraw/zinc/64/64/49/1071646449.db2.gz BMTKVKSTIULPMQ-UHFFFAOYSA-N 1 0 490.494 3.580 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001313953504 1071647588 /nfs/dbraw/zinc/64/75/88/1071647588.db2.gz HLSLHGCKVHJKLL-YADHBBJMSA-N 1 0 454.663 3.996 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001313953710 1071649601 /nfs/dbraw/zinc/64/96/01/1071649601.db2.gz IKBWZRPGPUURQL-IBGZPJMESA-N 1 0 481.110 3.941 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(C)cs2)CC1 ZINC001313954816 1071652888 /nfs/dbraw/zinc/65/28/88/1071652888.db2.gz PZKOBFWOTYMTSS-FQEVSTJZSA-N 1 0 455.676 3.564 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccsc3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001313954905 1071653600 /nfs/dbraw/zinc/65/36/00/1071653600.db2.gz WXUZYLPRGOTALC-WOJBJXKFSA-N 1 0 462.733 3.678 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001313955337 1071655462 /nfs/dbraw/zinc/65/54/62/1071655462.db2.gz RPLSROAAEVRBDR-VQTJNVASSA-N 1 0 455.676 3.816 20 0 JHADRO CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCC[NH+]1CCN(CC)CC1 ZINC001313956187 1071657290 /nfs/dbraw/zinc/65/72/90/1071657290.db2.gz CJRLQDFGAXCKCK-UHFFFAOYSA-N 1 0 453.660 3.764 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313956087 1071657556 /nfs/dbraw/zinc/65/75/56/1071657556.db2.gz KGAWKBASUNHLJX-NZQKXSOJSA-N 1 0 486.730 3.689 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313956837 1071658649 /nfs/dbraw/zinc/65/86/49/1071658649.db2.gz NVWKEFYSZXELDS-NRFANRHFSA-N 1 0 486.680 3.675 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001313957011 1071658723 /nfs/dbraw/zinc/65/87/23/1071658723.db2.gz AVRUUIQHMOVHLQ-NRFANRHFSA-N 1 0 484.689 3.862 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313957265 1071660038 /nfs/dbraw/zinc/66/00/38/1071660038.db2.gz QEJKKQXDAPULGA-LJQANCHMSA-N 1 0 462.733 3.536 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001313957604 1071660639 /nfs/dbraw/zinc/66/06/39/1071660639.db2.gz QTYMAPOXWGOVGA-FDFHNCONSA-N 1 0 456.654 3.764 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313957666 1071661217 /nfs/dbraw/zinc/66/12/17/1071661217.db2.gz RITCIBWEDGKVPJ-IBGZPJMESA-N 1 0 478.607 3.763 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccccn3)nnc2N(C)Cc2ccc(Br)cc2)CC1 ZINC001313958963 1071665773 /nfs/dbraw/zinc/66/57/73/1071665773.db2.gz YUYCKDOHYGNCHL-UHFFFAOYSA-N 1 0 498.473 3.767 20 0 JHADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2Cc3cccc(Br)c3C2)CC1 ZINC001313959665 1071667513 /nfs/dbraw/zinc/66/75/13/1071667513.db2.gz AMDBZVBGXJVNML-UHFFFAOYSA-N 1 0 461.452 3.712 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3C)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001313960191 1071669179 /nfs/dbraw/zinc/66/91/79/1071669179.db2.gz FQEICYLWYFODFK-FGZHOGPDSA-N 1 0 456.704 3.535 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccccc3OC)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001313961074 1071671731 /nfs/dbraw/zinc/67/17/31/1071671731.db2.gz QASWWXHUXPWXRX-FGZHOGPDSA-N 1 0 470.662 3.518 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CCc3ccccc3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001313961021 1071671763 /nfs/dbraw/zinc/67/17/63/1071671763.db2.gz ORQMYCZBFHVWGF-UHFFFAOYSA-N 1 0 478.607 3.870 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313961530 1071672894 /nfs/dbraw/zinc/67/28/94/1071672894.db2.gz URSOYQMNFHIXTF-UHFFFAOYSA-N 1 0 484.689 3.862 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001313964555 1071681164 /nfs/dbraw/zinc/68/11/64/1071681164.db2.gz BZJHSHNELRGXJM-UHFFFAOYSA-N 1 0 498.672 3.579 20 0 JHADRO CCn1nc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001313966778 1071687223 /nfs/dbraw/zinc/68/72/23/1071687223.db2.gz MAGFAYRZLOBPAX-SFHVURJKSA-N 1 0 487.599 3.887 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC001313985204 1071723221 /nfs/dbraw/zinc/72/32/21/1071723221.db2.gz NYWRHVOJHFYLLV-UHFFFAOYSA-N 1 0 496.700 3.746 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001313994476 1071730071 /nfs/dbraw/zinc/73/00/71/1071730071.db2.gz WJVUZJJMBDRHNR-ISKFKSNPSA-N 1 0 481.689 3.936 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC001313998652 1071735228 /nfs/dbraw/zinc/73/52/28/1071735228.db2.gz QGUQPXYMHAMUFE-HXUWFJFHSA-N 1 0 471.650 3.538 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001314004315 1071740847 /nfs/dbraw/zinc/74/08/47/1071740847.db2.gz HDYJMBISTABPEL-UHFFFAOYSA-N 1 0 499.729 3.995 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001314004223 1071740876 /nfs/dbraw/zinc/74/08/76/1071740876.db2.gz FINSXWIBVKWPCF-JOCHJYFZSA-N 1 0 499.729 3.852 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001314005434 1071741569 /nfs/dbraw/zinc/74/15/69/1071741569.db2.gz XWTCIZOSCOSJJQ-QFIPXVFZSA-N 1 0 499.729 3.851 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001314008465 1071744763 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CCc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2CCOC[C@H]2C)cc1 ZINC001305948068 1068267530 /nfs/dbraw/zinc/26/75/30/1068267530.db2.gz PNQVUJNVMPLXHN-QPPBQGQZSA-N 1 0 455.647 3.727 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2C[C@@](C)(O)CCC(C)C)cc1 ZINC001305948538 1068268796 /nfs/dbraw/zinc/26/87/96/1068268796.db2.gz UWWGPUNOKBXFOV-HOFKKMOUSA-N 1 0 469.674 3.853 20 0 JHADRO CCc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001305948500 1068269224 /nfs/dbraw/zinc/26/92/24/1068269224.db2.gz AAQRAIOKVBZDRP-WOJBJXKFSA-N 1 0 452.647 3.590 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2Cc2ccc(OC(C)C)nc2)cc1 ZINC001305948947 1068270913 /nfs/dbraw/zinc/27/09/13/1068270913.db2.gz DZEXLYHLEHLABO-NRFANRHFSA-N 1 0 478.641 3.895 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@@H](CC)C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001305949701 1068272268 /nfs/dbraw/zinc/27/22/68/1068272268.db2.gz KWRMKPZWQVDVCT-QFIPXVFZSA-N 1 0 486.661 3.579 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(CCOC)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001305951588 1068275275 /nfs/dbraw/zinc/27/52/75/1068275275.db2.gz WJPGCRVQILCZMI-HSZRJFAPSA-N 1 0 468.671 3.640 20 0 JHADRO CCc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001305951432 1068275332 /nfs/dbraw/zinc/27/53/32/1068275332.db2.gz PVJWZQFCQXCMDB-UHFFFAOYSA-N 1 0 473.687 3.500 20 0 JHADRO CCc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001305959614 1068290569 /nfs/dbraw/zinc/29/05/69/1068290569.db2.gz GLZBUIJUYUIEBU-UHFFFAOYSA-N 1 0 480.682 3.995 20 0 JHADRO CCc1ccc([C@H]2CN(c3nnc(-c4cnn(C)c4)n3C[C@@H](C)[NH+](CC)CC)CCO2)cc1 ZINC001305959543 1068290608 /nfs/dbraw/zinc/29/06/08/1068290608.db2.gz ZSDFYGFVABSHSP-AUSIDOKSSA-N 1 0 451.619 3.549 20 0 JHADRO CCc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)s1 ZINC001305967012 1068300967 /nfs/dbraw/zinc/30/09/67/1068300967.db2.gz TYJNJHICONPWPL-CVDCTZTESA-N 1 0 486.730 3.918 20 0 JHADRO CCc1ccc(-c2nnc(N3C[C@@H](CC(=O)OC)[C@H](O)C3)n2CCC[N@H+](C)C2CCCCC2)cc1 ZINC001305969157 1068304739 /nfs/dbraw/zinc/30/47/39/1068304739.db2.gz FWQCAJQRTRICLC-ISKFKSNPSA-N 1 0 483.657 3.522 20 0 JHADRO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2cccn2C)n1CCC[NH+]1CCCCC1 ZINC001305971075 1068306395 /nfs/dbraw/zinc/30/63/95/1068306395.db2.gz OGHIIIFOHJLXNS-UHFFFAOYSA-N 1 0 463.630 3.797 20 0 JHADRO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[NH+](C)C ZINC001305973439 1068309033 /nfs/dbraw/zinc/30/90/33/1068309033.db2.gz DOYWBLUULBQLKN-JXHRLWIKSA-N 1 0 470.662 3.784 20 0 JHADRO CCc1ccccc1NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001305974502 1068310481 /nfs/dbraw/zinc/31/04/81/1068310481.db2.gz MHVIRLVSIBHMHI-HSZRJFAPSA-N 1 0 495.716 3.845 20 0 JHADRO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001305975805 1068313865 /nfs/dbraw/zinc/31/38/65/1068313865.db2.gz WSAICDJEJKZEDS-VWNXMTODSA-N 1 0 482.673 3.930 20 0 JHADRO CCc1ccc(-c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001305976663 1068316082 /nfs/dbraw/zinc/31/60/82/1068316082.db2.gz WICOXULOOWLEEO-NVXDSCFRSA-N 1 0 455.647 3.726 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001305977815 1068318371 /nfs/dbraw/zinc/31/83/71/1068318371.db2.gz GTDQMMFPZKDGGR-FCHUYYIVSA-N 1 0 482.673 3.599 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[C@H](C(=O)OC)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001305978393 1068319535 /nfs/dbraw/zinc/31/95/35/1068319535.db2.gz FSUTTWLJQJZYOS-UNMCSNQZSA-N 1 0 469.630 3.541 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001305979544 1068321636 /nfs/dbraw/zinc/32/16/36/1068321636.db2.gz MXVIBNKDDPXUMZ-OAQYLSRUSA-N 1 0 482.673 3.599 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCC(C(=O)NC)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001305979547 1068321944 /nfs/dbraw/zinc/32/19/44/1068321944.db2.gz MZVMZPIKMGROEY-UHFFFAOYSA-N 1 0 482.673 3.504 20 0 JHADRO 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CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)s1 ZINC001306002380 1068376038 /nfs/dbraw/zinc/37/60/38/1068376038.db2.gz LCIYOVCBHNBMSI-FUHWJXTLSA-N 1 0 456.664 3.935 20 0 JHADRO CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC[N@@H+](CC)C2)s1 ZINC001306003516 1068378937 /nfs/dbraw/zinc/37/89/37/1068378937.db2.gz LTKUEGLXFWRVKJ-JKBKZWBZSA-N 1 0 476.691 3.869 20 0 JHADRO CCc1nc(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)no1 ZINC001306023259 1068415651 /nfs/dbraw/zinc/41/56/51/1068415651.db2.gz DVHWXSORLLZVRE-LJQANCHMSA-N 1 0 481.645 3.873 20 0 JHADRO CCc1nc(CN(C)c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC001306031083 1068431466 /nfs/dbraw/zinc/43/14/66/1068431466.db2.gz KUAWWALKHAUPCL-RTBURBONSA-N 1 0 483.686 3.807 20 0 JHADRO CCc1nc(CN(C)c2nnc(Cc3cn4ccccc4n3)n2CC[N@H+](C)C(C)C)cs1 ZINC001306031417 1068432159 /nfs/dbraw/zinc/43/21/59/1068432159.db2.gz PUFLRKSTANQJED-UHFFFAOYSA-N 1 0 452.632 3.512 20 0 JHADRO CCc1nc(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC([NH2+]C(C)C)CC2)cs1 ZINC001306036410 1068443096 /nfs/dbraw/zinc/44/30/96/1068443096.db2.gz JROBQSHSCJHCEK-UHFFFAOYSA-N 1 0 470.643 3.996 20 0 JHADRO CCc1nn(C)c(CC)c1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001306044964 1068464923 /nfs/dbraw/zinc/46/49/23/1068464923.db2.gz FEDBRKPYUBXMFO-UHFFFAOYSA-N 1 0 485.627 3.832 20 0 JHADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001306048602 1068474507 /nfs/dbraw/zinc/47/45/07/1068474507.db2.gz VNJSIIFGOVQJHH-RTBURBONSA-N 1 0 477.101 3.547 20 0 JHADRO CCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001306071705 1068506279 /nfs/dbraw/zinc/50/62/79/1068506279.db2.gz XMANQJOYLYGTFF-HXUWFJFHSA-N 1 0 474.531 3.936 20 0 JHADRO CCc1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001306076515 1068508888 /nfs/dbraw/zinc/50/88/88/1068508888.db2.gz QRROGYRNZLNMLY-DENIHFKCSA-N 1 0 452.628 3.720 20 0 JHADRO CCc1nnc(N(C)Cc2cc(OC)c(OC)cc2SC)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001306076721 1068508921 /nfs/dbraw/zinc/50/89/21/1068508921.db2.gz URXZVYCJBLDACA-QFIPXVFZSA-N 1 0 465.689 3.653 20 0 JHADRO CCc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306082374 1068511972 /nfs/dbraw/zinc/51/19/72/1068511972.db2.gz VBZQVPBFVBSIIK-CALCHBBNSA-N 1 0 455.573 3.987 20 0 JHADRO CCc1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001306092651 1068515674 /nfs/dbraw/zinc/51/56/74/1068515674.db2.gz UJNDBCUGMGYSRM-UNMCSNQZSA-N 1 0 470.662 3.960 20 0 JHADRO CCc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001306110039 1068521557 /nfs/dbraw/zinc/52/15/57/1068521557.db2.gz XLZAERMRQIWSJU-PZJWPPBQSA-N 1 0 462.683 3.948 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001306117817 1068524717 /nfs/dbraw/zinc/52/47/17/1068524717.db2.gz LPARSPMFTHFZEK-OAQYLSRUSA-N 1 0 452.647 3.590 20 0 JHADRO CCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001306118228 1068525305 /nfs/dbraw/zinc/52/53/05/1068525305.db2.gz GHHHGJBWIQJIJP-OAQYLSRUSA-N 1 0 453.635 3.664 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001306118388 1068525707 /nfs/dbraw/zinc/52/57/07/1068525707.db2.gz QTJKCRHPQZFKHM-YADHBBJMSA-N 1 0 466.674 3.836 20 0 JHADRO CCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001306118843 1068526560 /nfs/dbraw/zinc/52/65/60/1068526560.db2.gz OLHMLFASYZBRKB-OAQYLSRUSA-N 1 0 453.635 3.519 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001306119994 1068528690 /nfs/dbraw/zinc/52/86/90/1068528690.db2.gz LUVAFUQCOLYFOV-FCHUYYIVSA-N 1 0 466.674 3.802 20 0 JHADRO CCc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CC(C)(C)c1cccc(F)c1 ZINC001306120784 1068529480 /nfs/dbraw/zinc/52/94/80/1068529480.db2.gz UYSUWTMMIZWMMQ-UHFFFAOYSA-N 1 0 484.664 3.776 20 0 JHADRO CCc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001306121882 1068531231 /nfs/dbraw/zinc/53/12/31/1068531231.db2.gz KJZBMEVGMSFJQM-QHCPKHFHSA-N 1 0 483.579 3.553 20 0 JHADRO CCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001306133286 1068535648 /nfs/dbraw/zinc/53/56/48/1068535648.db2.gz DVBMEOBZEWOVFL-OAQYLSRUSA-N 1 0 456.635 3.644 20 0 JHADRO CCc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1Cc1cc(Cl)ccc1OC ZINC001306134780 1068537704 /nfs/dbraw/zinc/53/77/04/1068537704.db2.gz VYBIVLVUMOTECJ-UHFFFAOYSA-N 1 0 462.038 3.880 20 0 JHADRO CCc1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1Cc1cccc(Br)n1 ZINC001306138093 1068540033 /nfs/dbraw/zinc/54/00/33/1068540033.db2.gz APHQNFZRMSFCTF-IBGZPJMESA-N 1 0 455.404 3.757 20 0 JHADRO CCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001306141400 1068542798 /nfs/dbraw/zinc/54/27/98/1068542798.db2.gz FXOXFFXBPUEPGT-UHFFFAOYSA-N 1 0 458.651 3.862 20 0 JHADRO CCc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001306143333 1068545541 /nfs/dbraw/zinc/54/55/41/1068545541.db2.gz FZVVEOKUHWLAKY-LJQANCHMSA-N 1 0 467.536 3.580 20 0 JHADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001306144625 1068547384 /nfs/dbraw/zinc/54/73/84/1068547384.db2.gz RRZFSNUWXGVIBM-FCHUYYIVSA-N 1 0 468.646 3.781 20 0 JHADRO CCc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001306146730 1068549728 /nfs/dbraw/zinc/54/97/28/1068549728.db2.gz XHGLBGMFEFCSFS-NRFANRHFSA-N 1 0 473.971 3.952 20 0 JHADRO CCc1nnc(N2CCc3ccc(Br)cc3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001306154175 1068553163 /nfs/dbraw/zinc/55/31/63/1068553163.db2.gz GANSUQLAYPMRJP-FQEVSTJZSA-N 1 0 450.450 3.603 20 0 JHADRO CCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001306166927 1068562786 /nfs/dbraw/zinc/56/27/86/1068562786.db2.gz YDSUHRFFVIOTJB-IFMALSPDSA-N 1 0 473.687 3.578 20 0 JHADRO CCc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001306185291 1068575997 /nfs/dbraw/zinc/57/59/97/1068575997.db2.gz LXYBEBSMWXKBCM-UHFFFAOYSA-N 1 0 466.674 3.696 20 0 JHADRO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001306188818 1068581291 /nfs/dbraw/zinc/58/12/91/1068581291.db2.gz RETCTFJRVXOABJ-IBGZPJMESA-N 1 0 456.635 3.786 20 0 JHADRO CCc1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001306191847 1068582999 /nfs/dbraw/zinc/58/29/99/1068582999.db2.gz BLRDKCWJGPJDEC-UHFFFAOYSA-N 1 0 456.610 3.591 20 0 JHADRO CCc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1CC[NH+]1CCCC1 ZINC001306193207 1068584467 /nfs/dbraw/zinc/58/44/67/1068584467.db2.gz KOLLJUKJDMVHGT-UHFFFAOYSA-N 1 0 456.944 3.935 20 0 JHADRO CCc1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001306197624 1068589854 /nfs/dbraw/zinc/58/98/54/1068589854.db2.gz QAEXAFVMTXMQEO-LJQANCHMSA-N 1 0 457.648 3.917 20 0 JHADRO 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CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001306262762 1068674545 /nfs/dbraw/zinc/67/45/45/1068674545.db2.gz DAWPLEWULJSDIW-AHRSYUTCSA-N 1 0 457.619 3.936 20 0 JHADRO CC[C@H]1[C@H](C)CCN1c1nnc(COc2ccccc2F)n1CCCN1CC[NH+](CC)CC1 ZINC001306275713 1068689309 /nfs/dbraw/zinc/68/93/09/1068689309.db2.gz HOEWVLAIUSQMDA-IRLDBZIGSA-N 1 0 458.626 3.649 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306279373 1068694274 /nfs/dbraw/zinc/69/42/74/1068694274.db2.gz SETAOSSIQLLQDT-ZJSXRUAMSA-N 1 0 469.674 3.932 20 0 JHADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306279370 1068694344 /nfs/dbraw/zinc/69/43/44/1068694344.db2.gz SETAOSSIQLLQDT-XUZZJYLKSA-N 1 0 469.674 3.932 20 0 JHADRO CC[C@H]1[C@H](C)CCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001306284222 1068701255 /nfs/dbraw/zinc/70/12/55/1068701255.db2.gz YHKLOLOXXXLZHF-CGXNFDGLSA-N 1 0 490.693 3.784 20 0 JHADRO 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Cc1c(I)cccc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001310537749 1069005833 /nfs/dbraw/zinc/00/58/33/1069005833.db2.gz MYXJFHDBLCVVAI-UHFFFAOYSA-N 1 0 457.356 3.708 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+](C)Cc2ccc(F)cc2)CCS1 ZINC001306466699 1069005921 /nfs/dbraw/zinc/00/59/21/1069005921.db2.gz PDGQOXGKTJWJOH-NNWRFLSQSA-N 1 0 477.650 3.605 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCC[N@H+](C)C(C)C)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306468293 1069009145 /nfs/dbraw/zinc/00/91/45/1069009145.db2.gz XJOVBXUTAYHVCR-NJDAHSKKSA-N 1 0 478.682 3.990 20 0 JHADRO CSC1(CNC(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)CC[NH+](C)CC1 ZINC001310550097 1069010563 /nfs/dbraw/zinc/01/05/63/1069010563.db2.gz LWSXBDSXYIKTLD-UHFFFAOYSA-N 1 0 452.621 3.539 20 0 JHADRO CCc1c(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001310555169 1069014250 /nfs/dbraw/zinc/01/42/50/1069014250.db2.gz YPSZIYWYEYZQIM-WOJBJXKFSA-N 1 0 451.493 3.516 20 0 JHADRO CC/C=C\Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC001306471240 1069014686 /nfs/dbraw/zinc/01/46/86/1069014686.db2.gz SMZGCYQGSDTHMB-IZRJCCQOSA-N 1 0 455.603 3.620 20 0 JHADRO Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)CN(C(=O)Nc3ccccc3CC[NH+](C)C)C2)cn1 ZINC001310578451 1069027697 /nfs/dbraw/zinc/02/76/97/1069027697.db2.gz QCZCZAHGPAZDIC-PMACEKPBSA-N 1 0 455.603 3.504 20 0 JHADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2cc(OC)c(OC)cc2Br)cc1 ZINC001306491783 1069030335 /nfs/dbraw/zinc/03/03/35/1069030335.db2.gz XWNVGZGPZNOBGA-HXUWFJFHSA-N 1 0 451.361 3.830 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001306497745 1069047577 /nfs/dbraw/zinc/04/75/77/1069047577.db2.gz JJESXSJIYLUXEQ-JOCHJYFZSA-N 1 0 464.614 3.842 20 0 JHADRO CC[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC)[N@@H+]1CCc2ccccc2C1 ZINC001310606437 1069048522 /nfs/dbraw/zinc/04/85/22/1069048522.db2.gz UBDXYUNGWMGKEE-HSZRJFAPSA-N 1 0 450.583 3.571 20 0 JHADRO COc1ccc(Cn2nccc2NC(=O)NCCC2CC[NH+](C(C)C)CC2)c(OC)c1OC ZINC001310606356 1069048687 /nfs/dbraw/zinc/04/86/87/1069048687.db2.gz QJCCXVZYSATIIY-UHFFFAOYSA-N 1 0 459.591 3.589 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001306498131 1069049020 /nfs/dbraw/zinc/04/90/20/1069049020.db2.gz MLIMDRLSYTWDRU-NQIIRXRSSA-N 1 0 459.038 3.824 20 0 JHADRO CCC(CC)[C@@H](CNC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)[NH+]1CCOCC1 ZINC001310611295 1069054811 /nfs/dbraw/zinc/05/48/11/1069054811.db2.gz SSPZXCXRGAAKON-HXUWFJFHSA-N 1 0 451.974 3.982 20 0 JHADRO CCC(CC)[C@H](CNC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)[NH+]1CCOCC1 ZINC001310611294 1069054886 /nfs/dbraw/zinc/05/48/86/1069054886.db2.gz SSPZXCXRGAAKON-FQEVSTJZSA-N 1 0 451.974 3.982 20 0 JHADRO COC(=O)c1cccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1OC(C)C ZINC001310622794 1069064688 /nfs/dbraw/zinc/06/46/88/1069064688.db2.gz CDSDUFOKLJYILA-HXUWFJFHSA-N 1 0 455.555 3.673 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001306501504 1069065562 /nfs/dbraw/zinc/06/55/62/1069065562.db2.gz GFZAOFMEXINWSF-GMKZXUHWSA-N 1 0 482.673 3.925 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[NH+]2CCC(C)CC2)C1 ZINC001306501628 1069065618 /nfs/dbraw/zinc/06/56/18/1069065618.db2.gz NJSVLRAKCUOVTF-NRFANRHFSA-N 1 0 468.646 3.571 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001306501895 1069067218 /nfs/dbraw/zinc/06/72/18/1069067218.db2.gz HLTVRLNWODKTGF-BHDDXSALSA-N 1 0 460.667 3.669 20 0 JHADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)CC1 ZINC001310637373 1069074548 /nfs/dbraw/zinc/07/45/48/1069074548.db2.gz OTFQOVNVMYCEJT-UHFFFAOYSA-N 1 0 452.324 3.959 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001306504211 1069076629 /nfs/dbraw/zinc/07/66/29/1069076629.db2.gz XCFCTJGOULLIRG-QHCPKHFHSA-N 1 0 475.641 3.666 20 0 JHADRO O=C(Nc1cc2c(cc1Br)CCC2)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001310646375 1069080594 /nfs/dbraw/zinc/08/05/94/1069080594.db2.gz YYLBGHIVOMVSHK-KNQAVFIVSA-N 1 0 458.400 3.942 20 0 JHADRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC1 ZINC001310647036 1069081491 /nfs/dbraw/zinc/08/14/91/1069081491.db2.gz XDZZPFRYIJDPAD-UHFFFAOYSA-N 1 0 454.481 3.621 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001306505777 1069083493 /nfs/dbraw/zinc/08/34/93/1069083493.db2.gz IHGZUQLPCSOOQE-ZEQRLZLVSA-N 1 0 466.674 3.937 20 0 JHADRO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001310648945 1069083890 /nfs/dbraw/zinc/08/38/90/1069083890.db2.gz KLHYBAHMUQFFFI-QPPBQGQZSA-N 1 0 450.583 3.590 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001306505896 1069084158 /nfs/dbraw/zinc/08/41/58/1069084158.db2.gz PKGJCIBEWRLBEG-VWNXMTODSA-N 1 0 496.700 3.905 20 0 JHADRO Cc1ccc(F)cc1-c1nnc(NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC001310670204 1069099201 /nfs/dbraw/zinc/09/92/01/1069099201.db2.gz NMANMYYSAZEOBP-HXUWFJFHSA-N 1 0 454.575 3.763 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001306514974 1069115509 /nfs/dbraw/zinc/11/55/09/1069115509.db2.gz MUUMDLIJDQBBCE-JMUQELJHSA-N 1 0 474.694 3.565 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001306515246 1069116909 /nfs/dbraw/zinc/11/69/09/1069116909.db2.gz DAPLQWIAHQWJLI-ZJSXRUAMSA-N 1 0 481.689 3.983 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C)cc(I)c2)[C@@H](C)C1 ZINC001310698470 1069117945 /nfs/dbraw/zinc/11/79/45/1069117945.db2.gz ZZQQPIARMKDORG-YJBOKZPZSA-N 1 0 459.372 3.858 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001306515447 1069118108 /nfs/dbraw/zinc/11/81/08/1069118108.db2.gz QRJRSJUWAMLJDL-KNQAVFIVSA-N 1 0 458.626 3.976 20 0 JHADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc(Cl)cc4c3OCC(=O)N4)CC2)cc1 ZINC001310701516 1069119739 /nfs/dbraw/zinc/11/97/39/1069119739.db2.gz XWHKJRRQPZACTI-UHFFFAOYSA-N 1 0 458.946 3.713 20 0 JHADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc3nccnc3c2Br)c1 ZINC001310715463 1069130230 /nfs/dbraw/zinc/13/02/30/1069130230.db2.gz QGIGSZLGSUUCKA-UHFFFAOYSA-N 1 0 458.360 3.997 20 0 JHADRO COc1c(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc(Cl)cc1C(N)=O ZINC001310716267 1069131013 /nfs/dbraw/zinc/13/10/13/1069131013.db2.gz IHSBCICJCYJZFD-KRWDZBQOSA-N 1 0 456.974 3.871 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001306518590 1069133940 /nfs/dbraw/zinc/13/39/40/1069133940.db2.gz FDIRAUSPSHSPGI-VXKWHMMOSA-N 1 0 474.694 3.917 20 0 JHADRO CC[N@H+](CCNC(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)CCC(F)(F)F ZINC001310729329 1069140491 /nfs/dbraw/zinc/14/04/91/1069140491.db2.gz JZIWNQDRZHRHSZ-UHFFFAOYSA-N 1 0 454.465 3.786 20 0 JHADRO Cc1nc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)sc1Cc1ccc(F)c(F)c1F ZINC001310738264 1069143105 /nfs/dbraw/zinc/14/31/05/1069143105.db2.gz UTJPBNPBPNNAHL-ZDUSSCGKSA-N 1 0 455.550 3.607 20 0 JHADRO Cc1nc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)sc1Cc1cccc(Cl)c1F ZINC001310740970 1069143808 /nfs/dbraw/zinc/14/38/08/1069143808.db2.gz AMYSVKSPDGIRTD-IRXDYDNUSA-N 1 0 452.983 3.898 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306531912 1069172955 /nfs/dbraw/zinc/17/29/55/1069172955.db2.gz WSHDZDNTPYNHKB-SHQCIBLASA-N 1 0 468.690 3.663 20 0 JHADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C ZINC001310868831 1069200688 /nfs/dbraw/zinc/20/06/88/1069200688.db2.gz FMBNVDRMVBGDHS-OAQYLSRUSA-N 1 0 458.628 3.621 20 0 JHADRO O=C(Nc1cc(Br)c(F)cc1N1CCOCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001310874539 1069202212 /nfs/dbraw/zinc/20/22/12/1069202212.db2.gz JMLNSDLUFPDOLJ-HNNXBMFYSA-N 1 0 455.372 3.517 20 0 JHADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)CCO1 ZINC001310878246 1069205123 /nfs/dbraw/zinc/20/51/23/1069205123.db2.gz XGYZKQYXFFHSCQ-MRXNPFEDSA-N 1 0 457.522 3.722 20 0 JHADRO COc1cc(NC(=O)NOCc2ccc(F)cc2Br)ccc1OCC[NH+](C)C ZINC001310891324 1069211792 /nfs/dbraw/zinc/21/17/92/1069211792.db2.gz QZQZZDOHBXPSRY-UHFFFAOYSA-N 1 0 456.312 3.791 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC001310918882 1069221438 /nfs/dbraw/zinc/22/14/38/1069221438.db2.gz DMLCKAUITDQWGN-GHTZIAJQSA-N 1 0 478.659 3.614 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001306558369 1069228225 /nfs/dbraw/zinc/22/82/25/1069228225.db2.gz DLHVBUXVIOHADN-LJQANCHMSA-N 1 0 456.635 3.572 20 0 JHADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)[C@@H](C)C1 ZINC001306559559 1069230010 /nfs/dbraw/zinc/23/00/10/1069230010.db2.gz CTIQRAPORYRWCW-GBXCKJPGSA-N 1 0 450.583 3.780 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001306577738 1069243354 /nfs/dbraw/zinc/24/33/54/1069243354.db2.gz RHBJOVYBQXAEMB-LAUBAEHRSA-N 1 0 468.602 3.942 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001306580719 1069245444 /nfs/dbraw/zinc/24/54/44/1069245444.db2.gz IRXLSGRNYXRAFB-SFTDATJTSA-N 1 0 453.635 3.642 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001306587388 1069254413 /nfs/dbraw/zinc/25/44/13/1069254413.db2.gz VDZFMQOXENAYCD-QPTUXGOLSA-N 1 0 488.721 3.815 20 0 JHADRO O=C(Nc1cccc(-c2nnsc2Cl)c1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001311041671 1069256271 /nfs/dbraw/zinc/25/62/71/1069256271.db2.gz FYZSVPLBLHQKSA-PKOBYXMFSA-N 1 0 457.987 3.863 20 0 JHADRO CCC[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001306593196 1069263574 /nfs/dbraw/zinc/26/35/74/1069263574.db2.gz WVPKWRMMNZKEDX-VWNXMTODSA-N 1 0 455.647 3.541 20 0 JHADRO C[C@H]1CC(=O)N(C)c2ccc(NC(=O)NCCc3ccc(OCC[NH+]4CCCC4)cc3)cc21 ZINC001311067051 1069263787 /nfs/dbraw/zinc/26/37/87/1069263787.db2.gz YNOWBGLFJDGBRH-IBGZPJMESA-N 1 0 450.583 3.995 20 0 JHADRO CCN1c2ccc(NC(=O)NCC3([NH+](C)C)Cc4ccccc4C3)cc2OCC(C)(C)C1=O ZINC001311078722 1069265948 /nfs/dbraw/zinc/26/59/48/1069265948.db2.gz MSIABWXUCIJOET-UHFFFAOYSA-N 1 0 450.583 3.679 20 0 JHADRO COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001311082554 1069267306 /nfs/dbraw/zinc/26/73/06/1069267306.db2.gz DOIHFMAKSGPENU-LOSJGSFVSA-N 1 0 464.610 3.683 20 0 JHADRO CCCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CCC1 ZINC001306597964 1069273691 /nfs/dbraw/zinc/27/36/91/1069273691.db2.gz ADLFIKVWRWNKQT-IBGZPJMESA-N 1 0 459.660 3.849 20 0 JHADRO CCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC001306600887 1069276658 /nfs/dbraw/zinc/27/66/58/1069276658.db2.gz WNZTXYBWLGLUEP-SFTDATJTSA-N 1 0 488.702 3.569 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC001311162340 1069286527 /nfs/dbraw/zinc/28/65/27/1069286527.db2.gz CCLILSLCBCGINY-UGKGYDQZSA-N 1 0 457.619 3.740 20 0 JHADRO COC(=O)c1cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(Cl)cc1NC(C)=O ZINC001311191814 1069293991 /nfs/dbraw/zinc/29/39/91/1069293991.db2.gz ZDBORTJSSQPYDG-QKKBWIMNSA-N 1 0 458.946 3.727 20 0 JHADRO O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(CO)cc1 ZINC001311225095 1069302039 /nfs/dbraw/zinc/30/20/39/1069302039.db2.gz JFQJWCKFYBXMCT-UHFFFAOYSA-N 1 0 450.505 3.922 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001306618966 1069302633 /nfs/dbraw/zinc/30/26/33/1069302633.db2.gz WICCJOCPAGXEFK-YADHBBJMSA-N 1 0 462.038 3.841 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001306618964 1069302746 /nfs/dbraw/zinc/30/27/46/1069302746.db2.gz WICCJOCPAGXEFK-VXKWHMMOSA-N 1 0 462.038 3.841 20 0 JHADRO Cc1c(NC(=O)NCCCC[NH+]2CCN(C)CC2)cc(Br)cc1C(F)(F)F ZINC001311231360 1069303188 /nfs/dbraw/zinc/30/31/88/1069303188.db2.gz FLUQMQHKMCIYKB-UHFFFAOYSA-N 1 0 451.331 3.925 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCN(C)C(=O)OC(C)(C)C)CC[N@@H+]1CCOC ZINC001306620045 1069305052 /nfs/dbraw/zinc/30/50/52/1069305052.db2.gz WUKMBTBVGNFQIO-HXUWFJFHSA-N 1 0 480.698 3.770 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001306619822 1069305153 /nfs/dbraw/zinc/30/51/53/1069305153.db2.gz BVRMZIFNPIBILQ-GUDVDZBRSA-N 1 0 481.567 3.966 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CCO1 ZINC001306620609 1069307517 /nfs/dbraw/zinc/30/75/17/1069307517.db2.gz QVTRCLPZQSCKII-ZJSXRUAMSA-N 1 0 454.663 3.539 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(Cl)c2)CC[N@@H+]1CCOC ZINC001306620920 1069308105 /nfs/dbraw/zinc/30/81/05/1069308105.db2.gz KWUIJNSZPKFRTA-FQEVSTJZSA-N 1 0 487.048 3.931 20 0 JHADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164401738 718863280 /nfs/dbraw/zinc/86/32/80/718863280.db2.gz HTLUAQSKTDTZPP-RHSMWYFYSA-N 1 0 487.334 3.500 20 0 JHADRO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416008 718885567 /nfs/dbraw/zinc/88/55/67/718885567.db2.gz QETNNTGDMWEBPU-UHFFFAOYSA-N 1 0 460.916 3.549 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(SC)n1)C2 ZINC001164615159 719007493 /nfs/dbraw/zinc/00/74/93/719007493.db2.gz HCPOKYZIRUSAGJ-DJJJIMSYSA-N 1 0 460.978 3.546 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164620886 719007978 /nfs/dbraw/zinc/00/79/78/719007978.db2.gz ZSRJPPUFHYAOTO-AJTFRIOCSA-N 1 0 496.055 3.795 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)C2 ZINC001164617801 719008703 /nfs/dbraw/zinc/00/87/03/719008703.db2.gz PWVGFFOEUIPTRI-KKSFZXQISA-N 1 0 452.933 3.911 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164613918 719009607 /nfs/dbraw/zinc/00/96/07/719009607.db2.gz AKRNSULZMOTWOT-HTAPYJJXSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164620968 719010093 /nfs/dbraw/zinc/01/00/93/719010093.db2.gz ZXPQPAWPVZULTC-UZUQRXQVSA-N 1 0 491.970 3.886 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4cc(OC)c(OC)cc4nc3Cl)CC2)CC1 ZINC001164616336 719027321 /nfs/dbraw/zinc/02/73/21/719027321.db2.gz AXONLIUIPZBDHX-UHFFFAOYSA-N 1 0 462.978 3.544 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)CC2)CC1 ZINC001164616494 719035755 /nfs/dbraw/zinc/03/57/55/719035755.db2.gz DNPZXUUOQXMFNG-UHFFFAOYSA-N 1 0 473.977 3.615 20 0 JHADRO O=C(c1cccnc1N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC001164619289 719047139 /nfs/dbraw/zinc/04/71/39/719047139.db2.gz CHNXGWHOXJJHNS-POURPWNDSA-N 1 0 481.644 3.623 20 0 JHADRO c1ccc([C@H]2C[NH2+]C[C@]23CCN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164623057 719047952 /nfs/dbraw/zinc/04/79/52/719047952.db2.gz LNOADRVVQIPWHJ-ZBLYBZFDSA-N 1 0 475.662 3.596 20 0 JHADRO [NH3+]C1([C@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCc3ccccc3)C[C@@H]2CF)CC1 ZINC001164629319 719115395 /nfs/dbraw/zinc/11/53/95/719115395.db2.gz RWCNFMXNDSVWTB-HOCLYGCPSA-N 1 0 454.880 3.545 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(C[C@H](CNc4ccc(C)nn4)CO3)C2)nc1 ZINC001164638250 719266368 /nfs/dbraw/zinc/26/63/68/719266368.db2.gz ODYWTLSVRXFYAT-GYZWWNDVSA-N 1 0 480.657 3.841 20 0 JHADRO C[N@H+](Cc1ccc(N2CC[C@]3(C2)c2ccccc2S(=O)(=O)N3Cc2ccccc2)nc1)C1CC1 ZINC001164654931 719322793 /nfs/dbraw/zinc/32/27/93/719322793.db2.gz TTYWGDKOCWTXBQ-MHZLTWQESA-N 1 0 474.630 3.986 20 0 JHADRO O=C(CC1CC1)N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@H]12 ZINC001164652594 719324526 /nfs/dbraw/zinc/32/45/26/719324526.db2.gz CLUAJMYCKKADSQ-CKOJHNACSA-N 1 0 460.622 3.540 20 0 JHADRO CC(C)N(C)Cc1nn(C(F)(F)Oc2cccc(COc3cncc(Cl)n3)c2)c2c1CC[NH2+]C2 ZINC001164682843 719650312 /nfs/dbraw/zinc/65/03/12/719650312.db2.gz TVKHIVUSNZJUMC-UHFFFAOYSA-N 1 0 492.958 3.977 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc4ncccc4nc3Cl)CC2)c2ccccc21 ZINC001164687137 719667900 /nfs/dbraw/zinc/66/79/00/719667900.db2.gz ZPOLENPZTPNYHF-GOSISDBHSA-N 1 0 479.028 3.772 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(NC(=O)C(C)(C)C)nn3)CC2)c2ccccc21 ZINC001164681156 719668355 /nfs/dbraw/zinc/66/83/55/719668355.db2.gz KGMNEGMRVBOOIS-HXUWFJFHSA-N 1 0 492.668 3.555 20 0 JHADRO Cc1[nH]c2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1C ZINC001164684615 719669809 /nfs/dbraw/zinc/66/98/09/719669809.db2.gz UYKSGFYPRAZIIJ-FQEVSTJZSA-N 1 0 460.626 3.668 20 0 JHADRO COc1cccc2cnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc21 ZINC001164681600 719670481 /nfs/dbraw/zinc/67/04/81/719670481.db2.gz NLGXKLQZOITCRO-NRFANRHFSA-N 1 0 473.621 3.732 20 0 JHADRO CCOc1c(Cl)ncnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685893 719671346 /nfs/dbraw/zinc/67/13/46/719671346.db2.gz WFQAMPKNYSSHGR-GOSISDBHSA-N 1 0 472.033 3.622 20 0 JHADRO Cc1noc(-c2cccnc2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681463 719677819 /nfs/dbraw/zinc/67/78/19/719677819.db2.gz KYEPBVZIBJHFJG-HXUWFJFHSA-N 1 0 474.609 3.533 20 0 JHADRO COc1cccc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c21 ZINC001164686946 719678151 /nfs/dbraw/zinc/67/81/51/719678151.db2.gz ZEFAERSUFJGTKZ-FQEVSTJZSA-N 1 0 473.621 3.732 20 0 JHADRO CN(C)C(=O)c1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)c1 ZINC001164681082 719678651 /nfs/dbraw/zinc/67/86/51/719678651.db2.gz JIKNDNAUPRZFJI-IBGZPJMESA-N 1 0 498.071 3.530 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(-c4ccccn4)nn3)CC2)c2ccccc21 ZINC001164684516 719679494 /nfs/dbraw/zinc/67/94/94/719679494.db2.gz UMGCJUHCMMTIKL-NRFANRHFSA-N 1 0 470.621 3.632 20 0 JHADRO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)cc-2n1 ZINC001164693118 719808619 /nfs/dbraw/zinc/80/86/19/719808619.db2.gz QOPDTFDKZJAICO-UHFFFAOYSA-N 1 0 455.584 3.758 20 0 JHADRO COC(=O)c1c(Cl)cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1OC ZINC001164693086 719812488 /nfs/dbraw/zinc/81/24/88/719812488.db2.gz UGYUVLCOOMVHNV-UHFFFAOYSA-N 1 0 450.992 3.930 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C)nc(Cl)n1)CC2 ZINC001164717353 720110418 /nfs/dbraw/zinc/11/04/18/720110418.db2.gz NODIOHUPJGFQOT-SFHVURJKSA-N 1 0 451.949 3.886 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3cc(OC)c(OC)cc3n1)CC2 ZINC001164714311 720115550 /nfs/dbraw/zinc/11/55/50/720115550.db2.gz BVXGKSCJPIFACJ-FQEVSTJZSA-N 1 0 463.582 3.550 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C(=O)OC)cc(Cl)n1)CC2 ZINC001164714316 720123015 /nfs/dbraw/zinc/12/30/15/720123015.db2.gz BXWZPJOTRYVHLI-LJQANCHMSA-N 1 0 494.970 3.969 20 0 JHADRO CCOC(=O)c1cc2ccc(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)[nH]c-2n1 ZINC001164710864 720130039 /nfs/dbraw/zinc/13/00/39/720130039.db2.gz FEYBOYOYMXRFOG-NRFANRHFSA-N 1 0 463.582 3.642 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164711762 720150006 /nfs/dbraw/zinc/15/00/06/720150006.db2.gz JVORPGIZQBOTRX-HSZRJFAPSA-N 1 0 470.621 3.930 20 0 JHADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c2c1 ZINC001164819425 720158818 /nfs/dbraw/zinc/15/88/18/720158818.db2.gz WZDOIJPFZBZONA-KOSHJBKYSA-N 1 0 458.990 3.645 20 0 JHADRO Cn1nnc2c1CCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715414 720174294 /nfs/dbraw/zinc/17/42/94/720174294.db2.gz BJQHIBNFVQAHGT-GOSISDBHSA-N 1 0 496.830 3.935 20 0 JHADRO Cn1nnc2c1CCN(c1ccc(-c3cccc4ccccc43)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713322 720200753 /nfs/dbraw/zinc/20/07/53/720200753.db2.gz BCWPUGAGBOFNGQ-RUZDIDTESA-N 1 0 469.593 3.642 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3sc4c(c31)CC[C@H](C)C4)CCC2 ZINC001164814043 720221792 /nfs/dbraw/zinc/22/17/92/720221792.db2.gz RQBGFPOZNPUCGI-INIZCTEOSA-N 1 0 452.628 3.623 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)ncc2OCc2ccccc2)CC1 ZINC001164828939 720321247 /nfs/dbraw/zinc/32/12/47/720321247.db2.gz KRGUPPWHXVQDTN-NHCUHLMSSA-N 1 0 470.017 3.621 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001164833409 720322183 /nfs/dbraw/zinc/32/21/83/720322183.db2.gz WVRCXLXBLGVTEJ-RPWUZVMVSA-N 1 0 476.600 3.530 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)cc(Cc3ccccc3)n2)CC1 ZINC001164831388 720331077 /nfs/dbraw/zinc/33/10/77/720331077.db2.gz RSHDLPAYJVFMOX-FGZHOGPDSA-N 1 0 454.018 3.632 20 0 JHADRO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164830831 720334728 /nfs/dbraw/zinc/33/47/28/720334728.db2.gz QCJVJLSKSCIXIR-QZTJIDSGSA-N 1 0 459.006 3.913 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3[nH]c4ccc(Cl)cc4c32)CC1 ZINC001164831330 720334948 /nfs/dbraw/zinc/33/49/48/720334948.db2.gz QWILUGPRUDAJPO-WOJBJXKFSA-N 1 0 452.990 3.676 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccccn3)nc3ccccc32)CC1 ZINC001164822206 720338611 /nfs/dbraw/zinc/33/86/11/720338611.db2.gz CFTGWYQVKFWDHW-BJKOFHAPSA-N 1 0 456.594 3.603 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccccn3)nc3ccccc32)CC1 ZINC001164822211 720338804 /nfs/dbraw/zinc/33/88/04/720338804.db2.gz CFTGWYQVKFWDHW-RPWUZVMVSA-N 1 0 456.594 3.603 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2ccc(F)cc2)CC1 ZINC001164825885 720340268 /nfs/dbraw/zinc/34/02/68/720340268.db2.gz JVDZLMMAJLYGMW-PMACEKPBSA-N 1 0 473.980 3.973 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(F)ccc2-c2ccc(Cl)nn2)CC1 ZINC001164824389 720344473 /nfs/dbraw/zinc/34/44/73/720344473.db2.gz IDDBYQYMDYWSKY-RTWAWAEBSA-N 1 0 457.981 3.848 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(-c3nc(-c4cccs4)no3)ccn2)CC1 ZINC001164825243 720346337 /nfs/dbraw/zinc/34/63/37/720346337.db2.gz JCUHQMKTHUGYLD-PMACEKPBSA-N 1 0 478.622 3.772 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccncc3)nc3sccc32)CC1 ZINC001164822786 720349593 /nfs/dbraw/zinc/34/95/93/720349593.db2.gz FILIJSPPMOAVAC-LEWJYISDSA-N 1 0 462.623 3.665 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2ccccc2)CC1 ZINC001164824365 720352615 /nfs/dbraw/zinc/35/26/15/720352615.db2.gz IAALKEKQNHHXKU-PMACEKPBSA-N 1 0 455.990 3.834 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2c(Cl)nnc(Cl)c2N2CCCCC2)CC1 ZINC001164821479 720357433 /nfs/dbraw/zinc/35/74/33/720357433.db2.gz ALZXBIKXACJFCN-ZWKOTPCHSA-N 1 0 481.472 3.685 20 0 JHADRO O=C(NCCSCc1ccco1)c1cccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721809 720407006 /nfs/dbraw/zinc/40/70/06/720407006.db2.gz BGVYIZAXSIVAOH-DHIUTWEWSA-N 1 0 463.607 3.586 20 0 JHADRO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2c1 ZINC001164835725 720514485 /nfs/dbraw/zinc/51/44/85/720514485.db2.gz KJLCPPIWRMGNSE-LVCYWYKZSA-N 1 0 468.989 3.644 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833383 720519632 /nfs/dbraw/zinc/51/96/32/720519632.db2.gz DLFGJVQHGBRCAR-FDFHNCONSA-N 1 0 471.049 3.935 20 0 JHADRO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2cc1OC ZINC001164835369 720528568 /nfs/dbraw/zinc/52/85/68/720528568.db2.gz GZCPUJFNOMPXNT-ABSDTBQOSA-N 1 0 471.005 3.875 20 0 JHADRO COc1ccccc1-c1cc(C(F)(F)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c(Cl)nn1 ZINC001164735549 720534992 /nfs/dbraw/zinc/53/49/92/720534992.db2.gz PJBQXIXHWIFHJP-HNNXBMFYSA-N 1 0 462.932 3.745 20 0 JHADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835400 720537859 /nfs/dbraw/zinc/53/78/59/720537859.db2.gz HCHVPMAULJUEAB-SOLBZPMBSA-N 1 0 467.948 3.641 20 0 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FC(F)(c1nc(Cl)ncc1Cl)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958702 722054160 /nfs/dbraw/zinc/05/41/60/722054160.db2.gz FHOBNMHGJJUYNS-UHFFFAOYSA-N 1 0 458.340 3.842 20 0 JHADRO COc1ccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c(Cl)nc2c1 ZINC001164964905 722054626 /nfs/dbraw/zinc/05/46/26/722054626.db2.gz ZHOVKAOSNZGOMU-UHFFFAOYSA-N 1 0 453.974 3.806 20 0 JHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5C[N@@H+](CC6CC6)C[C@H](C4)O5)c32)C1 ZINC001164967780 722075747 /nfs/dbraw/zinc/07/57/47/722075747.db2.gz WDZOAUVTOQGRRL-RLLQIKCJSA-N 1 0 467.683 3.711 20 0 JHADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980439 722112769 /nfs/dbraw/zinc/11/27/69/722112769.db2.gz RETKICKQCOUNAQ-LAUBAEHRSA-N 1 0 459.928 3.950 20 0 JHADRO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981718 722139481 /nfs/dbraw/zinc/13/94/81/722139481.db2.gz QEWJPVWPBVMQCR-RDGATRHJSA-N 1 0 452.562 3.814 20 0 JHADRO c1csc(-c2noc(-c3ccnc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c3)n2)c1 ZINC001164985435 722149281 /nfs/dbraw/zinc/14/92/81/722149281.db2.gz ZLYIWKWXIJEINP-LEWJYISDSA-N 1 0 474.590 3.982 20 0 JHADRO c1csc(-c2noc(-c3ccnc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)c3)n2)c1 ZINC001164985441 722149476 /nfs/dbraw/zinc/14/94/76/722149476.db2.gz ZLYIWKWXIJEINP-SFTDATJTSA-N 1 0 474.590 3.982 20 0 JHADRO Clc1cccc(COc2cncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164976244 722153940 /nfs/dbraw/zinc/15/39/40/722153940.db2.gz VSWYMMQFGGYQMI-JTHBVZDNSA-N 1 0 465.985 3.831 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)CCC2 ZINC001165004110 722256715 /nfs/dbraw/zinc/25/67/15/722256715.db2.gz NCMCNDLNGJZEFB-UHFFFAOYSA-N 1 0 466.920 3.620 20 0 JHADRO COc1ccccc1Oc1nc(Cl)ncc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165003674 722257978 /nfs/dbraw/zinc/25/79/78/722257978.db2.gz GDQLAWQVOIOFKR-UHFFFAOYSA-N 1 0 472.977 3.616 20 0 JHADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)CC1 ZINC001311265300 1069312020 /nfs/dbraw/zinc/31/20/20/1069312020.db2.gz WRTIPVGVDKUMAO-QFIPXVFZSA-N 1 0 456.553 3.734 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)CCO1 ZINC001306623004 1069313961 /nfs/dbraw/zinc/31/39/61/1069313961.db2.gz APXLOTHTIZFYSZ-JAXLGGSGSA-N 1 0 490.693 3.881 20 0 JHADRO Cc1cc(NC(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)ccc1S(=O)(=O)N(C)C ZINC001311282341 1069315159 /nfs/dbraw/zinc/31/51/59/1069315159.db2.gz NJNVGPLMQGFCHA-QFIPXVFZSA-N 1 0 458.628 3.812 20 0 JHADRO CC1CC[NH+]([C@H](CNC(=O)Nc2cc(=O)n(C)cc2Br)c2cccs2)CC1 ZINC001311282861 1069315686 /nfs/dbraw/zinc/31/56/86/1069315686.db2.gz WOECLAGKCRHSIX-MRXNPFEDSA-N 1 0 453.406 3.804 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CC[N@H+](CC)C2)CCO1 ZINC001306623971 1069316226 /nfs/dbraw/zinc/31/62/26/1069316226.db2.gz WBZXCJKVZQVLAL-FPOVZHCZSA-N 1 0 457.619 3.700 20 0 JHADRO COCC(=O)N1CCCc2ccc(NC(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)cc21 ZINC001311290631 1069317478 /nfs/dbraw/zinc/31/74/78/1069317478.db2.gz GJRJSAGTMKTWSB-IBGZPJMESA-N 1 0 450.583 3.959 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001306624588 1069318507 /nfs/dbraw/zinc/31/85/07/1069318507.db2.gz PBYUJGDXHNGXED-OAQYLSRUSA-N 1 0 495.672 3.972 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC[N@@H+]1CCOC ZINC001306626143 1069320591 /nfs/dbraw/zinc/32/05/91/1069320591.db2.gz CVIKFBHNMUWAOX-SFTDATJTSA-N 1 0 490.693 3.567 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CC[NH+](CC)CC2)CCO1 ZINC001306626900 1069322879 /nfs/dbraw/zinc/32/28/79/1069322879.db2.gz NYRDXSRZADIOBF-HSZRJFAPSA-N 1 0 475.081 3.555 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC[N@@H+]1CCOC ZINC001306628097 1069325659 /nfs/dbraw/zinc/32/56/59/1069325659.db2.gz DEBARKCXXHYXTH-TVZXLZGTSA-N 1 0 477.694 3.532 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CCO1 ZINC001306629343 1069328354 /nfs/dbraw/zinc/32/83/54/1069328354.db2.gz PFIHSSMQRFCYJW-XZOQPEGZSA-N 1 0 484.670 3.951 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(C)(F)F)cc2)CC[N@@H+]1CCOC ZINC001306631734 1069332312 /nfs/dbraw/zinc/33/23/12/1069332312.db2.gz ULOZGHZKEGJULA-UNMCSNQZSA-N 1 0 477.600 3.879 20 0 JHADRO COc1ccc([C@@H](CNC(=O)N2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)[NH+](C)C)cc1OC ZINC001311346630 1069333444 /nfs/dbraw/zinc/33/34/44/1069333444.db2.gz AJSSYAXLBZEEEA-NZQKXSOJSA-N 1 0 454.615 3.844 20 0 JHADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)c1 ZINC001311352338 1069338145 /nfs/dbraw/zinc/33/81/45/1069338145.db2.gz WEBMTALETDYGPL-UHFFFAOYSA-N 1 0 457.518 3.821 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001306634410 1069339342 /nfs/dbraw/zinc/33/93/42/1069339342.db2.gz IGVJOKDWESCLPA-MYDTUXCISA-N 1 0 477.694 3.703 20 0 JHADRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)Cc3c(Cl)cccc3Cl)cn2)CC1 ZINC001311356367 1069340265 /nfs/dbraw/zinc/34/02/65/1069340265.db2.gz SQTXCGWOVKVCHO-MRXNPFEDSA-N 1 0 450.414 3.961 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCS(=O)(=O)c4ccccc4C3)cc2)C1 ZINC001311360917 1069344463 /nfs/dbraw/zinc/34/44/63/1069344463.db2.gz QLLGXXWWFGKHHS-BGYRXZFFSA-N 1 0 455.624 3.664 20 0 JHADRO COc1ccc(-n2cc(CNC(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)nn2)cc1 ZINC001311370440 1069347780 /nfs/dbraw/zinc/34/77/80/1069347780.db2.gz QUBPGHYORYMPLH-QFIPXVFZSA-N 1 0 454.962 3.566 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)N1CCOC[C@H]1CC(F)F ZINC001311377439 1069351048 /nfs/dbraw/zinc/35/10/48/1069351048.db2.gz AUNGJWSUNSTIGZ-HSZRJFAPSA-N 1 0 458.553 3.574 20 0 JHADRO O=C(NCc1ccnc(OC2CCOCC2)c1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001311375859 1069350142 /nfs/dbraw/zinc/35/01/42/1069350142.db2.gz RWZZJBCJLHGYRV-QFIPXVFZSA-N 1 0 458.990 3.929 20 0 JHADRO CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001306640830 1069351432 /nfs/dbraw/zinc/35/14/32/1069351432.db2.gz BPSXGYNNBQZLFB-FQEVSTJZSA-N 1 0 488.702 3.696 20 0 JHADRO CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001306640639 1069351368 /nfs/dbraw/zinc/35/13/68/1069351368.db2.gz YCJYCBXZUNSWPM-LJQANCHMSA-N 1 0 489.064 3.741 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N3C[C@H](C)O[C@@H](CC(F)(F)F)C3)CC2)c1 ZINC001311381742 1069354586 /nfs/dbraw/zinc/35/45/86/1069354586.db2.gz UCWHUKAMDVJSMN-FPOVZHCZSA-N 1 0 456.553 3.649 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)NC[C@H](O)c1ccsc1 ZINC001311379134 1069352340 /nfs/dbraw/zinc/35/23/40/1069352340.db2.gz XFEOFXZNBUHECT-DEOSSOPVSA-N 1 0 450.608 3.603 20 0 JHADRO CC1(C)CCC[C@@]1(O)CNC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001311378545 1069352439 /nfs/dbraw/zinc/35/24/39/1069352439.db2.gz NOMDOXRRRQTTJZ-HHHXNRCGSA-N 1 0 450.627 3.749 20 0 JHADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC001311395112 1069360436 /nfs/dbraw/zinc/36/04/36/1069360436.db2.gz IMMZQGGXXISPSD-LAUBAEHRSA-N 1 0 454.453 3.718 20 0 JHADRO CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001306645993 1069357602 /nfs/dbraw/zinc/35/76/02/1069357602.db2.gz MMBVZMPGGFXTJZ-QHCPKHFHSA-N 1 0 454.663 3.675 20 0 JHADRO CC[C@H](CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC001311394377 1069359502 /nfs/dbraw/zinc/35/95/02/1069359502.db2.gz BIWLXSCPRBFAOI-FTJBHMTQSA-N 1 0 450.627 3.504 20 0 JHADRO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)[NH+](C)C)cc1 ZINC001311405552 1069364700 /nfs/dbraw/zinc/36/47/00/1069364700.db2.gz QAMVBZOEGIVXDL-DNQXCXABSA-N 1 0 452.599 3.739 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC001306658469 1069373917 /nfs/dbraw/zinc/37/39/17/1069373917.db2.gz QONODRZLRXOELS-UHFFFAOYSA-N 1 0 474.694 3.569 20 0 JHADRO C[C@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC001311422850 1069370939 /nfs/dbraw/zinc/37/09/39/1069370939.db2.gz KYFSMXZITZRVHX-FQEVSTJZSA-N 1 0 450.562 3.584 20 0 JHADRO CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001306657696 1069371655 /nfs/dbraw/zinc/37/16/55/1069371655.db2.gz SAYQCUDJENOMFT-YADHBBJMSA-N 1 0 489.709 3.757 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001306660873 1069380320 /nfs/dbraw/zinc/38/03/20/1069380320.db2.gz AAGBZTOTPPDFLG-OAQYLSRUSA-N 1 0 456.635 3.806 20 0 JHADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001311430749 1069376403 /nfs/dbraw/zinc/37/64/03/1069376403.db2.gz RTJGNGQFMAWVHI-KXBFYZLASA-N 1 0 451.409 3.656 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001311430747 1069376453 /nfs/dbraw/zinc/37/64/53/1069376453.db2.gz RTJGNGQFMAWVHI-DNVCBOLYSA-N 1 0 451.409 3.656 20 0 JHADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)C1 ZINC001311430206 1069376523 /nfs/dbraw/zinc/37/65/23/1069376523.db2.gz ITGSJTOUGRJYLC-NNWRFLSQSA-N 1 0 466.667 3.602 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC001311431208 1069376544 /nfs/dbraw/zinc/37/65/44/1069376544.db2.gz BNYUDERITZTVIC-NHCUHLMSSA-N 1 0 451.055 3.804 20 0 JHADRO COc1ccc(C[C@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)c2ccc(OC)cc2)cc1 ZINC001311438681 1069379981 /nfs/dbraw/zinc/37/99/81/1069379981.db2.gz RBPMXEYUXIGQGX-DEOSSOPVSA-N 1 0 455.599 3.522 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001306664439 1069388862 /nfs/dbraw/zinc/38/88/62/1069388862.db2.gz PRQYJUKKMZACLU-QFIPXVFZSA-N 1 0 483.705 3.881 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001306666053 1069393162 /nfs/dbraw/zinc/39/31/62/1069393162.db2.gz VFMPTGHOENXUQZ-FYYLOGMGSA-N 1 0 474.694 3.725 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(OC)c1 ZINC001311470596 1069393897 /nfs/dbraw/zinc/39/38/97/1069393897.db2.gz REYLDUBFNCDHQD-FCHUYYIVSA-N 1 0 458.990 3.836 20 0 JHADRO CCCCN(C)c1nnc(-c2cc(Br)cn2C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001306667282 1069395587 /nfs/dbraw/zinc/39/55/87/1069395587.db2.gz WJPFWKFQDHGYQB-QGZVFWFLSA-N 1 0 467.456 3.783 20 0 JHADRO C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311482737 1069398535 /nfs/dbraw/zinc/39/85/35/1069398535.db2.gz OAUQKZSTXMDKQQ-FQEVSTJZSA-N 1 0 451.615 3.715 20 0 JHADRO Cc1cc(N2CCC(NC(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)CC2)nc(C)n1 ZINC001311491688 1069403703 /nfs/dbraw/zinc/40/37/03/1069403703.db2.gz BNBOYIRSRCSEMW-UHFFFAOYSA-N 1 0 450.631 3.794 20 0 JHADRO Cc1cc(C(=O)NCCC[NH+](C(C)C)C(C)C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001306678440 1069402936 /nfs/dbraw/zinc/40/29/36/1069402936.db2.gz GCWZPSAMAUVBOQ-UHFFFAOYSA-N 1 0 451.677 3.963 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001306678449 1069403126 /nfs/dbraw/zinc/40/31/26/1069403126.db2.gz BTUAJPBUCXVRKT-IBGZPJMESA-N 1 0 495.594 3.782 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)OC)CC1 ZINC001306679273 1069404307 /nfs/dbraw/zinc/40/43/07/1069404307.db2.gz PVWOIJKXVUYOTL-LJQANCHMSA-N 1 0 457.619 3.700 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NCCc3ccc([Si](C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC001311494549 1069405006 /nfs/dbraw/zinc/40/50/06/1069405006.db2.gz FZIQBAHTHGCWMP-OYRHEFFESA-N 1 0 453.703 3.883 20 0 JHADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC3(OCCO)CCC(F)(F)CC3)cc2)C1 ZINC001311494520 1069405026 /nfs/dbraw/zinc/40/50/26/1069405026.db2.gz DZRRWXJZHJKTJQ-IBGZPJMESA-N 1 0 453.574 3.675 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ncccc2N(C)C)CC1 ZINC001306679324 1069405031 /nfs/dbraw/zinc/40/50/31/1069405031.db2.gz RDBHZNQEJZQBGJ-DEOSSOPVSA-N 1 0 469.678 3.977 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(C)COCCO2)CC1 ZINC001306679493 1069405111 /nfs/dbraw/zinc/40/51/11/1069405111.db2.gz KHYBVOYSOUSQMI-AREMUKBSSA-N 1 0 473.637 3.762 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccco2)CC1 ZINC001306679860 1069405902 /nfs/dbraw/zinc/40/59/02/1069405902.db2.gz UNQZTVSLDDOBPJ-VWLOTQADSA-N 1 0 452.603 3.789 20 0 JHADRO CCc1cc(N2CCC[C@H](NC(=O)NCc3ccccc3C[N@@H+]3CCCC[C@@H]3C)C2)ncn1 ZINC001311496601 1069406305 /nfs/dbraw/zinc/40/63/05/1069406305.db2.gz XAEURSCATKKVEK-RDPSFJRHSA-N 1 0 450.631 3.882 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2COCCO2)CC1 ZINC001306680108 1069406448 /nfs/dbraw/zinc/40/64/48/1069406448.db2.gz PEIONTMSYQEWQK-YTFSRNRJSA-N 1 0 477.694 3.560 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2C)C1 ZINC001306680102 1069406565 /nfs/dbraw/zinc/40/65/65/1069406565.db2.gz OZEODKYDRSLREF-NRFANRHFSA-N 1 0 461.614 3.960 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2COCCO2)CC1 ZINC001306680107 1069406607 /nfs/dbraw/zinc/40/66/07/1069406607.db2.gz PEIONTMSYQEWQK-DNVJHFABSA-N 1 0 477.694 3.560 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(COC)CC1 ZINC001306681553 1069411268 /nfs/dbraw/zinc/41/12/68/1069411268.db2.gz NPCNUCRSDSRCKA-UHFFFAOYSA-N 1 0 467.456 3.641 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001306681700 1069411381 /nfs/dbraw/zinc/41/13/81/1069411381.db2.gz RUUVXAUPGXDAJK-JOCHJYFZSA-N 1 0 451.619 3.928 20 0 JHADRO C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC001311499801 1069408978 /nfs/dbraw/zinc/40/89/78/1069408978.db2.gz IGRIZHDVQAIHAR-IBGZPJMESA-N 1 0 459.896 3.832 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001306680972 1069408932 /nfs/dbraw/zinc/40/89/32/1069408932.db2.gz WRGDZXKVXALABG-NIYFSFCBSA-N 1 0 491.627 3.635 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 ZINC001306681214 1069409092 /nfs/dbraw/zinc/40/90/92/1069409092.db2.gz TYZVQMDEQGFQJX-QFIPXVFZSA-N 1 0 471.694 3.925 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001306680970 1069409294 /nfs/dbraw/zinc/40/92/94/1069409294.db2.gz WRGDZXKVXALABG-BCHFMIIMSA-N 1 0 491.627 3.635 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001306681075 1069409740 /nfs/dbraw/zinc/40/97/40/1069409740.db2.gz IDTIWPPMKQQYMR-APWZRJJASA-N 1 0 465.440 3.773 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001306683550 1069417198 /nfs/dbraw/zinc/41/71/98/1069417198.db2.gz WKOLTIOFAZNAND-UGKGYDQZSA-N 1 0 457.619 3.700 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2noc(C)n2)C1 ZINC001306682379 1069413261 /nfs/dbraw/zinc/41/32/61/1069413261.db2.gz FKKBQWKABLAARX-IBGZPJMESA-N 1 0 459.982 3.600 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001306682975 1069415186 /nfs/dbraw/zinc/41/51/86/1069415186.db2.gz RUQXCZPZCXWXMG-OAHLLOKOSA-N 1 0 497.869 3.760 20 0 JHADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001311518040 1069419431 /nfs/dbraw/zinc/41/94/31/1069419431.db2.gz GFYRGFSXEWTPQZ-ZWKOTPCHSA-N 1 0 454.537 3.731 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001306684666 1069419394 /nfs/dbraw/zinc/41/93/94/1069419394.db2.gz PGVFCKHVGGDXJQ-KRWDZBQOSA-N 1 0 454.575 3.641 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1CC ZINC001306685579 1069421435 /nfs/dbraw/zinc/42/14/35/1069421435.db2.gz GYSHOOFJAGCCJU-UXHICEINSA-N 1 0 464.655 3.697 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](CC)C1 ZINC001306685935 1069421893 /nfs/dbraw/zinc/42/18/93/1069421893.db2.gz NMQJLDYMJCOIMK-SFTDATJTSA-N 1 0 478.682 3.740 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001306687400 1069424039 /nfs/dbraw/zinc/42/40/39/1069424039.db2.gz GVDYKBXQQNVHTN-AVJFOWIRSA-N 1 0 477.694 3.703 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306687796 1069424493 /nfs/dbraw/zinc/42/44/93/1069424493.db2.gz KJKGJAUPGGABSE-YLJYHZDGSA-N 1 0 491.706 3.715 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001306687826 1069424617 /nfs/dbraw/zinc/42/46/17/1069424617.db2.gz LDAIDLYFUHISCU-UHFFFAOYSA-N 1 0 484.595 3.762 20 0 JHADRO CC(C)C[NH+]1CCC(NC(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1 ZINC001311530295 1069425225 /nfs/dbraw/zinc/42/52/25/1069425225.db2.gz JRCNMEYAOWTXFX-SFHVURJKSA-N 1 0 455.443 3.875 20 0 JHADRO CCCC[N@H+](C)CCn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001306689023 1069425837 /nfs/dbraw/zinc/42/58/37/1069425837.db2.gz TXCFAEDGCFOTTM-UHFFFAOYSA-N 1 0 487.714 3.733 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001306688947 1069426034 /nfs/dbraw/zinc/42/60/34/1069426034.db2.gz SCNOTVWVBFPCJP-QGZVFWFLSA-N 1 0 488.549 3.952 20 0 JHADRO CCC(CC)[C@H](CNC(=O)NC1(Cc2ccccc2Br)CC1)[NH+]1CCOCC1 ZINC001311532948 1069426352 /nfs/dbraw/zinc/42/63/52/1069426352.db2.gz JUMZRURRCWBNIG-FQEVSTJZSA-N 1 0 452.437 3.960 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001306689455 1069426574 /nfs/dbraw/zinc/42/65/74/1069426574.db2.gz VYLVWXRXUULUMK-OBTVHEKISA-N 1 0 485.673 3.979 20 0 JHADRO CCCCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001306691834 1069429014 /nfs/dbraw/zinc/42/90/14/1069429014.db2.gz MSEJWLBGKJDXJQ-HSZRJFAPSA-N 1 0 451.619 3.596 20 0 JHADRO NC(=O)[C@H](F)C1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001311538428 1069430256 /nfs/dbraw/zinc/43/02/56/1069430256.db2.gz KXOQIQLFKJFPPZ-XMMPIXPASA-N 1 0 452.574 3.694 20 0 JHADRO CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001306701567 1069436906 /nfs/dbraw/zinc/43/69/06/1069436906.db2.gz SIVQEBMUJUTLIG-GHTZIAJQSA-N 1 0 475.037 3.614 20 0 JHADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCN(CC(F)(F)C(F)F)CC2)c2cccs2)CC1 ZINC001311572726 1069444399 /nfs/dbraw/zinc/44/43/99/1069444399.db2.gz NWDQMISRHCRNJZ-INIZCTEOSA-N 1 0 450.546 3.749 20 0 JHADRO CCCCn1cc(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c(C)n1 ZINC001306716440 1069448498 /nfs/dbraw/zinc/44/84/98/1069448498.db2.gz BVPBWTMJSXBQRQ-XMMPIXPASA-N 1 0 465.646 3.610 20 0 JHADRO COC(=O)c1ccc(F)c2c1CN(C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)CC2 ZINC001311581879 1069449614 /nfs/dbraw/zinc/44/96/14/1069449614.db2.gz UUVXIHJGOIWFSB-HSZRJFAPSA-N 1 0 455.530 3.526 20 0 JHADRO O=C(N[C@@H](C1CCOCC1)C1(CO)CCC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001311587455 1069451909 /nfs/dbraw/zinc/45/19/09/1069451909.db2.gz CIEFRACJKFUGIP-QFIPXVFZSA-N 1 0 450.023 3.561 20 0 JHADRO CCCCn1cc(Cn2c(-c3cccn3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c(C)n1 ZINC001306719298 1069453005 /nfs/dbraw/zinc/45/30/05/1069453005.db2.gz LWCHUEQMVWLMKP-UHFFFAOYSA-N 1 0 452.651 3.948 20 0 JHADRO COc1ccc(C2=NO[C@H](CNC(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)C2)cc1 ZINC001311589402 1069453532 /nfs/dbraw/zinc/45/35/32/1069453532.db2.gz VPAFEGCXZLBGKG-QFIPXVFZSA-N 1 0 456.974 3.805 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC1 ZINC001306721577 1069458390 /nfs/dbraw/zinc/45/83/90/1069458390.db2.gz BVPAGKQQKIKIKM-NRFANRHFSA-N 1 0 459.660 3.849 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)OC1CCCC1 ZINC001306721630 1069458473 /nfs/dbraw/zinc/45/84/73/1069458473.db2.gz CRZHLOVVFUGQHK-LJQANCHMSA-N 1 0 455.607 3.890 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001306721962 1069458897 /nfs/dbraw/zinc/45/88/97/1069458897.db2.gz DFEBUXKNLXITAA-RLWLMLJZSA-N 1 0 452.647 3.871 20 0 JHADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NCc1nnc2n1CCCCC2 ZINC001311605350 1069459003 /nfs/dbraw/zinc/45/90/03/1069459003.db2.gz PLXIZCJEWDFIPX-HSZRJFAPSA-N 1 0 452.647 3.879 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H](C)CC(N)=O ZINC001306723204 1069462853 /nfs/dbraw/zinc/46/28/53/1069462853.db2.gz OVRCJFMRTCVPLO-TZIWHRDSSA-N 1 0 463.630 3.848 20 0 JHADRO CC[C@H](NC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1)c1ccccc1OCC(=O)NC ZINC001311611690 1069463487 /nfs/dbraw/zinc/46/34/87/1069463487.db2.gz LRKYGZSZCZNMTB-BBHUYCHWSA-N 1 0 458.647 3.805 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001306723662 1069463989 /nfs/dbraw/zinc/46/39/89/1069463989.db2.gz UHBPNTCNDGKZEE-SFTDATJTSA-N 1 0 482.677 3.521 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001306723590 1069464171 /nfs/dbraw/zinc/46/41/71/1069464171.db2.gz SGPZUNAXGMSYAE-HXUWFJFHSA-N 1 0 451.681 3.604 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@H]1C ZINC001306723756 1069464196 /nfs/dbraw/zinc/46/41/96/1069464196.db2.gz UZMSQDLJAOGGOK-AEFFLSMTSA-N 1 0 465.440 3.915 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001306724547 1069465147 /nfs/dbraw/zinc/46/51/47/1069465147.db2.gz YUPOFDXCAZUSFU-CTNGQTDRSA-N 1 0 458.655 3.631 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306725438 1069466435 /nfs/dbraw/zinc/46/64/35/1069466435.db2.gz DHVXMMZBARHAEY-FCHUYYIVSA-N 1 0 469.630 3.531 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306724689 1069465718 /nfs/dbraw/zinc/46/57/18/1069465718.db2.gz ZCARKZYVXGQUPT-PKOBYXMFSA-N 1 0 483.082 3.517 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001306724576 1069465909 /nfs/dbraw/zinc/46/59/09/1069465909.db2.gz ZRNUZJSNQUUNJQ-UXHICEINSA-N 1 0 460.026 3.569 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[C@H]1C(F)(F)F ZINC001311616685 1069468326 /nfs/dbraw/zinc/46/83/26/1069468326.db2.gz JWBHSACKHQCBLT-CVEARBPZSA-N 1 0 450.546 3.736 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc(F)cc1 ZINC001311617130 1069468773 /nfs/dbraw/zinc/46/87/73/1069468773.db2.gz FKNYMWHEAARZEU-XLIONFOSSA-N 1 0 454.468 3.905 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)C[C@H]1c1ccc(O)cc1 ZINC001311621638 1069472305 /nfs/dbraw/zinc/47/23/05/1069472305.db2.gz AVXIEFNEBULTAA-RBZQAINGSA-N 1 0 481.593 3.526 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001306727802 1069473259 /nfs/dbraw/zinc/47/32/59/1069473259.db2.gz BRYWBVOGZHPGHI-PXDATVDWSA-N 1 0 489.668 3.971 20 0 JHADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC(c3nccc(C)n3)CC2)cc1OC ZINC001311626366 1069476111 /nfs/dbraw/zinc/47/61/11/1069476111.db2.gz TXQHPMLKPAZXBS-UHFFFAOYSA-N 1 0 455.603 3.603 20 0 JHADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC001311641238 1069485794 /nfs/dbraw/zinc/48/57/94/1069485794.db2.gz VNSIDXJUXQKYKJ-YLJYHZDGSA-N 1 0 450.421 3.766 20 0 JHADRO C[C@H](CNC(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001311638947 1069484382 /nfs/dbraw/zinc/48/43/82/1069484382.db2.gz SWHCZDJMXQTQNH-KAGYGMCKSA-N 1 0 462.610 3.950 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@H](C)C1 ZINC001306731114 1069484958 /nfs/dbraw/zinc/48/49/58/1069484958.db2.gz PIDHWGDQBZXAPV-WOJBJXKFSA-N 1 0 474.675 3.539 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCCC2)C1 ZINC001306731726 1069485451 /nfs/dbraw/zinc/48/54/51/1069485451.db2.gz FNSMYSRIHIKSQX-WBADGQHESA-N 1 0 488.721 3.814 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001306732017 1069488144 /nfs/dbraw/zinc/48/81/44/1069488144.db2.gz KUWRSUKRKYPARE-MZEQIWSPSA-N 1 0 484.714 3.904 20 0 JHADRO Cc1nccn1-c1ncccc1CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001311658822 1069491813 /nfs/dbraw/zinc/49/18/13/1069491813.db2.gz XRBGZKKUJROBOX-LAUBAEHRSA-N 1 0 456.953 3.860 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C)n2CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001306733385 1069492775 /nfs/dbraw/zinc/49/27/75/1069492775.db2.gz WEOZDFCUKRONBK-RDPSFJRHSA-N 1 0 452.647 3.556 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)[C@H]1c1ccc(F)cc1 ZINC001311664904 1069493920 /nfs/dbraw/zinc/49/39/20/1069493920.db2.gz NLBXPBJHWQGJJB-XZOQPEGZSA-N 1 0 450.514 3.593 20 0 JHADRO CC[N@H+](CCC1CCN(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1)CC1CC1 ZINC001311665016 1069493985 /nfs/dbraw/zinc/49/39/85/1069493985.db2.gz KGTYNTRDRMFRBC-DEOSSOPVSA-N 1 0 456.631 3.848 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC001311664985 1069494006 /nfs/dbraw/zinc/49/40/06/1069494006.db2.gz OUQQHWDMGGDVQB-HYBUGGRVSA-N 1 0 457.578 3.901 20 0 JHADRO CC[C@H]1CN(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001311667311 1069495643 /nfs/dbraw/zinc/49/56/43/1069495643.db2.gz SAGRVACQBIMPLP-NVQXNPDNSA-N 1 0 450.627 3.713 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001306733932 1069494988 /nfs/dbraw/zinc/49/49/88/1069494988.db2.gz OILXDDBKOBEVQB-GGAORHGYSA-N 1 0 481.689 3.983 20 0 JHADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001311671790 1069498020 /nfs/dbraw/zinc/49/80/20/1069498020.db2.gz GEGROBPPKJRSEG-ZSYWTGECSA-N 1 0 451.453 3.941 20 0 JHADRO CC(C)C[C@H](NC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1)C(=O)NCC[NH+](C)C ZINC001311678205 1069500851 /nfs/dbraw/zinc/50/08/51/1069500851.db2.gz PTOKSSUQDUBMHK-PMACEKPBSA-N 1 0 451.036 3.883 20 0 JHADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC001311688773 1069504002 /nfs/dbraw/zinc/50/40/02/1069504002.db2.gz DFIGQAPMFDCLMU-MRXNPFEDSA-N 1 0 450.052 3.845 20 0 JHADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001311693178 1069506780 /nfs/dbraw/zinc/50/67/80/1069506780.db2.gz FDQHDLSUTBYGET-STZQEDGTSA-N 1 0 462.610 3.950 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001306737977 1069508048 /nfs/dbraw/zinc/50/80/48/1069508048.db2.gz XUEZIPSAKVXWFY-LEWJYISDSA-N 1 0 469.678 3.916 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccn3C)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001306738100 1069508093 /nfs/dbraw/zinc/50/80/93/1069508093.db2.gz YYBYEYXQBMSMAL-XZOQPEGZSA-N 1 0 483.705 3.927 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306740797 1069514731 /nfs/dbraw/zinc/51/47/31/1069514731.db2.gz VNAYIGNERBLVMJ-BHIFYINESA-N 1 0 469.678 3.537 20 0 JHADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001311713228 1069514924 /nfs/dbraw/zinc/51/49/24/1069514924.db2.gz KXNKHMZHAIQOEU-ZWKOTPCHSA-N 1 0 451.354 3.828 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](CN2CCCC2=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001311719619 1069518437 /nfs/dbraw/zinc/51/84/37/1069518437.db2.gz WQBXNKVNDJBJLN-PXNSSMCTSA-N 1 0 454.537 3.742 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306743055 1069521034 /nfs/dbraw/zinc/52/10/34/1069521034.db2.gz XDUDFXZPCLDXFJ-NRFANRHFSA-N 1 0 482.673 3.818 20 0 JHADRO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)NC[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001311747746 1069531695 /nfs/dbraw/zinc/53/16/95/1069531695.db2.gz LTPPGFVFCXLQQK-DRLORSAXSA-N 1 0 456.631 3.987 20 0 JHADRO COC(=O)c1cnc([C@H]2CCCN(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCC3)C2)s1 ZINC001311764187 1069537812 /nfs/dbraw/zinc/53/78/12/1069537812.db2.gz DXLRJBZXGXKMJX-PMACEKPBSA-N 1 0 456.612 3.964 20 0 JHADRO COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC001311766731 1069538657 /nfs/dbraw/zinc/53/86/57/1069538657.db2.gz XACNWNFDTKZURL-SANMLTNESA-N 1 0 459.631 3.952 20 0 JHADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001311761096 1069536420 /nfs/dbraw/zinc/53/64/20/1069536420.db2.gz IYCCGUCZTAAJGK-PKOBYXMFSA-N 1 0 450.649 3.905 20 0 JHADRO O=C(NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC001311761578 1069536843 /nfs/dbraw/zinc/53/68/43/1069536843.db2.gz MJUPPQGIFQWPGD-QGZVFWFLSA-N 1 0 455.546 3.528 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3CCC[C@H]3CC)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001306749031 1069540580 /nfs/dbraw/zinc/54/05/80/1069540580.db2.gz ONJPOIUCRRLESI-NLFFAJNJSA-N 1 0 457.619 3.578 20 0 JHADRO C[C@@H](CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1)[N@@H+]1CCc2ccccc2C1 ZINC001311791445 1069547014 /nfs/dbraw/zinc/54/70/14/1069547014.db2.gz JYWVVHIFVNSLLI-PXNSSMCTSA-N 1 0 457.416 3.774 20 0 JHADRO CCCCOCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001306750330 1069544636 /nfs/dbraw/zinc/54/46/36/1069544636.db2.gz CFLDJOFQJTYOIL-QFIPXVFZSA-N 1 0 489.064 3.548 20 0 JHADRO CCc1nc(CN2CCC(CNC(=O)NC[C@H](C)[N@@H+]3CCc4ccccc4C3)CC2)cs1 ZINC001311789810 1069545863 /nfs/dbraw/zinc/54/58/63/1069545863.db2.gz BCNQKYSRVMQBAT-IBGZPJMESA-N 1 0 455.672 3.664 20 0 JHADRO CCCC[NH+]1CCC(NC(=O)N2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001311815108 1069556772 /nfs/dbraw/zinc/55/67/72/1069556772.db2.gz IEVCITHEQQBGTI-UHFFFAOYSA-N 1 0 457.537 3.929 20 0 JHADRO O=C(NCc1cc(Br)ccc1OC(F)F)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001311824467 1069562569 /nfs/dbraw/zinc/56/25/69/1069562569.db2.gz RUZKGIUGVXMYCM-UHFFFAOYSA-N 1 0 455.303 3.914 20 0 JHADRO COc1ccccc1N1CC[C@@H](CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC001311827917 1069564991 /nfs/dbraw/zinc/56/49/91/1069564991.db2.gz DYMJJCXRQKYBKR-GBXCKJPGSA-N 1 0 454.615 3.911 20 0 JHADRO CCCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001306769839 1069569469 /nfs/dbraw/zinc/56/94/69/1069569469.db2.gz HXSIUXXNJRCNLW-UHFFFAOYSA-N 1 0 451.623 3.525 20 0 JHADRO CCCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001306772520 1069570942 /nfs/dbraw/zinc/57/09/42/1069570942.db2.gz HYMPGYRDDXCXMY-OZXSUGGESA-N 1 0 468.690 3.940 20 0 JHADRO CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001306776279 1069572426 /nfs/dbraw/zinc/57/24/26/1069572426.db2.gz RWOLIPLXJQATPL-JOCHJYFZSA-N 1 0 499.660 3.744 20 0 JHADRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC001311849021 1069578545 /nfs/dbraw/zinc/57/85/45/1069578545.db2.gz YFKKEYIAQKFJJM-FDDCHVKYSA-N 1 0 455.578 3.745 20 0 JHADRO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001306779910 1069575543 /nfs/dbraw/zinc/57/55/43/1069575543.db2.gz HDNFOGQEKTWXJH-GOSISDBHSA-N 1 0 461.680 3.657 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(NC(C)=O)cc2)C1 ZINC001306781189 1069578748 /nfs/dbraw/zinc/57/87/48/1069578748.db2.gz HSASWSZLVYCAHO-UPVQGACJSA-N 1 0 468.646 3.889 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)Nc2ccccc2)C1 ZINC001306780601 1069577756 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CCOc1ccc(N2CCN(C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c3ccccc3)CC2)nn1 ZINC001311992937 1069655469 /nfs/dbraw/zinc/65/54/69/1069655469.db2.gz DPUYQBULWQQLIO-FQEVSTJZSA-N 1 0 454.619 3.617 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1OC ZINC001314165276 1069661484 /nfs/dbraw/zinc/66/14/84/1069661484.db2.gz YGPNULXYIJJJOZ-PMACEKPBSA-N 1 0 471.627 3.942 20 0 JHADRO COC(=O)c1ccc(N2CCN(C(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)CC2)s1 ZINC001311998925 1069659519 /nfs/dbraw/zinc/65/95/19/1069659519.db2.gz ZJDLANHSGLLPRJ-SFHVURJKSA-N 1 0 456.612 3.592 20 0 JHADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC001312005644 1069664597 /nfs/dbraw/zinc/66/45/97/1069664597.db2.gz RJWNQDFOUSBERD-ICSRJNTNSA-N 1 0 459.660 3.880 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CC2([NH+](C)C)CCC2)cc1OC ZINC001314166270 1069664849 /nfs/dbraw/zinc/66/48/49/1069664849.db2.gz KPKRJDACEUEPDT-IBGZPJMESA-N 1 0 457.619 3.700 20 0 JHADRO 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CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC001314173380 1069693630 /nfs/dbraw/zinc/69/36/30/1069693630.db2.gz KVIJQSCDPRMPCD-QHAWAJNXSA-N 1 0 471.646 3.803 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2CCCC(C)C)cc1OC ZINC001314174341 1069697481 /nfs/dbraw/zinc/69/74/81/1069697481.db2.gz QNXIEQORPMWITD-QFIPXVFZSA-N 1 0 498.672 3.531 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2noc3c2COCC3)nnc1N1CCSC(C)(C)C1 ZINC001307004883 1069700142 /nfs/dbraw/zinc/70/01/42/1069700142.db2.gz JUNVUYXHWNUAPC-UHFFFAOYSA-N 1 0 462.664 3.850 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1OC ZINC001314177678 1069711828 /nfs/dbraw/zinc/71/18/28/1069711828.db2.gz AAKCFYVWLCDQBZ-FQEVSTJZSA-N 1 0 492.615 3.614 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CC(O)(CC)CC)cc1OC ZINC001314178493 1069715520 /nfs/dbraw/zinc/71/55/20/1069715520.db2.gz VQMPIMWPXFGAES-OAQYLSRUSA-N 1 0 471.646 3.968 20 0 JHADRO CCCN(CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC001307013862 1069718835 /nfs/dbraw/zinc/71/88/35/1069718835.db2.gz RDMVKGRCXSCRRM-NHCUHLMSSA-N 1 0 485.677 3.830 20 0 JHADRO CC[NH+]1CCC(CCNC(=O)N2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001312107669 1069723668 /nfs/dbraw/zinc/72/36/68/1069723668.db2.gz OUXFIWMLZROJRK-DLBZAZTESA-N 1 0 450.546 3.596 20 0 JHADRO C[NH+](C)C[C@H](NC(=O)NCCCc1nnc2n1CCCCC2)c1ccc(Cl)c(Cl)c1 ZINC001312108152 1069724330 /nfs/dbraw/zinc/72/43/30/1069724330.db2.gz SOBXKBGUZAQPTR-SFHVURJKSA-N 1 0 453.418 3.846 20 0 JHADRO CCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001307017930 1069726963 /nfs/dbraw/zinc/72/69/63/1069726963.db2.gz DGKPYGSLCBVDAK-NVXWUHKLSA-N 1 0 495.491 3.558 20 0 JHADRO CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307023373 1069731258 /nfs/dbraw/zinc/73/12/58/1069731258.db2.gz FCASPUAEPKFSFL-PKTZIBPZSA-N 1 0 498.672 3.955 20 0 JHADRO CCc1ccc([C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001312131650 1069737768 /nfs/dbraw/zinc/73/77/68/1069737768.db2.gz PKOJTZGVNUXCIS-AOHZBQACSA-N 1 0 455.624 3.620 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2ccon2)C1 ZINC001307030092 1069737764 /nfs/dbraw/zinc/73/77/64/1069737764.db2.gz UIHVYSMOSJTJKK-IBGZPJMESA-N 1 0 451.575 3.504 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001312128830 1069736034 /nfs/dbraw/zinc/73/60/34/1069736034.db2.gz KVAHVCUQGAAINL-IRLDBZIGSA-N 1 0 456.631 3.940 20 0 JHADRO CCOc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001314185620 1069738458 /nfs/dbraw/zinc/73/84/58/1069738458.db2.gz VHGPELPAQGRLRL-RPWUZVMVSA-N 1 0 471.646 3.912 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001307030357 1069738631 /nfs/dbraw/zinc/73/86/31/1069738631.db2.gz BKVPPONGHJEDNF-UHFFFAOYSA-N 1 0 485.986 3.800 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(OC3CCC(C)CC3)CC2)C1 ZINC001307030463 1069738669 /nfs/dbraw/zinc/73/86/69/1069738669.db2.gz XWJWSLIGYAZGMP-ATKRNPRHSA-N 1 0 474.694 3.712 20 0 JHADRO C[N@@H+]1C[C@@H](CNC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)[C@H](c2ccccc2)C1 ZINC001312133800 1069739628 /nfs/dbraw/zinc/73/96/28/1069739628.db2.gz XCEUPKQAWKASJF-AFESJLNVSA-N 1 0 477.630 3.824 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001307031273 1069741200 /nfs/dbraw/zinc/74/12/00/1069741200.db2.gz IVGWULQMVFGOKA-IBGZPJMESA-N 1 0 488.080 3.809 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@H](OCC)C2)C1 ZINC001307032480 1069743932 /nfs/dbraw/zinc/74/39/32/1069743932.db2.gz UCHHDJPDWQGCNP-FPOVZHCZSA-N 1 0 457.619 3.700 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)C1 ZINC001307032635 1069744840 /nfs/dbraw/zinc/74/48/40/1069744840.db2.gz UWLPEQDXMMNHIJ-UXHICEINSA-N 1 0 488.080 3.714 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001307032649 1069745167 /nfs/dbraw/zinc/74/51/67/1069745167.db2.gz KFZRGJCGDPXQKZ-IQGLISFBSA-N 1 0 489.064 3.895 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCC(C(=O)OC)CC2)C1 ZINC001307032707 1069745403 /nfs/dbraw/zinc/74/54/03/1069745403.db2.gz KVLNBQQKVISRNB-KRWDZBQOSA-N 1 0 490.446 3.829 20 0 JHADRO CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[NH+](C(C)C)CC2)cc1OC ZINC001314189600 1069747931 /nfs/dbraw/zinc/74/79/31/1069747931.db2.gz UMKRVGRFNSOEAX-UHFFFAOYSA-N 1 0 450.587 3.635 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(CO)CC2)CC1 ZINC001307032906 1069746293 /nfs/dbraw/zinc/74/62/93/1069746293.db2.gz ZNDZJVANRWESQV-UHFFFAOYSA-N 1 0 462.038 3.938 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C)nnc2N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)C1 ZINC001307033121 1069746704 /nfs/dbraw/zinc/74/67/04/1069746704.db2.gz NGKMOEQMDMUPFP-VXKWHMMOSA-N 1 0 453.635 3.665 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 ZINC001307034901 1069752016 /nfs/dbraw/zinc/75/20/16/1069752016.db2.gz SNMKHTJAWOHGEZ-CVEARBPZSA-N 1 0 495.491 3.593 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC[C@@H]2C(C)C)C1 ZINC001307034231 1069750506 /nfs/dbraw/zinc/75/05/06/1069750506.db2.gz OGAJRXPYEDQBKO-NZQKXSOJSA-N 1 0 488.702 3.552 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(OC)cc2OC)C1 ZINC001307035537 1069753727 /nfs/dbraw/zinc/75/37/27/1069753727.db2.gz SVKBFWAKWGJHNT-IBGZPJMESA-N 1 0 452.603 3.669 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)CC)nnc2N2CCN(C(=O)c3ccc(C)cc3)CC2)C1 ZINC001307036180 1069754324 /nfs/dbraw/zinc/75/43/24/1069754324.db2.gz MFQMDAOROHDRBR-YADHBBJMSA-N 1 0 452.647 3.794 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC001307035897 1069754358 /nfs/dbraw/zinc/75/43/58/1069754358.db2.gz XITWCNQUWULFAN-FGZHOGPDSA-N 1 0 477.657 3.671 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)O[C@H](CC)C2)C1 ZINC001307035940 1069755158 /nfs/dbraw/zinc/75/51/58/1069755158.db2.gz VCEXMLNNQVNQDZ-ZIFCJYIRSA-N 1 0 479.467 3.782 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3C)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)CC1 ZINC001307037594 1069758895 /nfs/dbraw/zinc/75/88/95/1069758895.db2.gz CNFLEOJDHNNWDI-UXHICEINSA-N 1 0 461.676 3.633 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3C)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001307039293 1069763496 /nfs/dbraw/zinc/76/34/96/1069763496.db2.gz QCCFHQMGXKAVCD-FQEVSTJZSA-N 1 0 492.590 3.880 20 0 JHADRO CC(C)CC[NH+]1CCC(CNC(=O)N(C)C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC001312164398 1069759918 /nfs/dbraw/zinc/75/99/18/1069759918.db2.gz CPYRRPOSXHEYSE-IBGZPJMESA-N 1 0 459.553 3.845 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2C[C@@](C)(O)CC)cc1 ZINC001314193300 1069760224 /nfs/dbraw/zinc/76/02/24/1069760224.db2.gz ZXINZPIYCBBFGC-PUFAWVJESA-N 1 0 457.619 3.651 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001307038179 1069760495 /nfs/dbraw/zinc/76/04/95/1069760495.db2.gz BJXWYZSCIQVFPA-SFHVURJKSA-N 1 0 477.600 3.714 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001314193446 1069760540 /nfs/dbraw/zinc/76/05/40/1069760540.db2.gz KZFVGZLOWCMIGQ-FYQCMVGJSA-N 1 0 498.672 3.639 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001307038893 1069762299 /nfs/dbraw/zinc/76/22/99/1069762299.db2.gz MYMIHBHSMBATHE-NRFANRHFSA-N 1 0 452.647 3.760 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC001307038734 1069762329 /nfs/dbraw/zinc/76/23/29/1069762329.db2.gz LYABUQGNCQPURQ-QZTJIDSGSA-N 1 0 468.067 3.590 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3OC)nnc2N2CCC(N(C)C(=O)OCC)CC2)C1 ZINC001307038946 1069762708 /nfs/dbraw/zinc/76/27/08/1069762708.db2.gz OEKVSHGFNMGBNK-HXUWFJFHSA-N 1 0 484.645 3.743 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3Cl)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)CC1 ZINC001307038905 1069762874 /nfs/dbraw/zinc/76/28/74/1069762874.db2.gz NHEWVELDZNDAES-SFHVURJKSA-N 1 0 475.037 3.997 20 0 JHADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(C(N)=O)o1)[NH+](C)C ZINC001312169571 1069763035 /nfs/dbraw/zinc/76/30/35/1069763035.db2.gz MTCVJBWEDZYLJV-GOSISDBHSA-N 1 0 455.386 3.983 20 0 JHADRO COc1ccc(CNC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(OC2CCCC2)c1 ZINC001312171285 1069764321 /nfs/dbraw/zinc/76/43/21/1069764321.db2.gz DQQPWGACIHUWRV-UHFFFAOYSA-N 1 0 458.647 3.717 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC001307040679 1069767548 /nfs/dbraw/zinc/76/75/48/1069767548.db2.gz CVSSMFVKZJZUBV-IDFSAFHHSA-N 1 0 497.713 3.806 20 0 JHADRO CC(C)[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H](O)c1ccc(Cl)cc1 ZINC001312177473 1069767746 /nfs/dbraw/zinc/76/77/46/1069767746.db2.gz GACSLMHPMIZJPD-FCHUYYIVSA-N 1 0 452.039 3.980 20 0 JHADRO CCCN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC[N@H+](CCC)C1 ZINC001307041662 1069769427 /nfs/dbraw/zinc/76/94/27/1069769427.db2.gz HCNXDKWTJYXXFJ-LAUBAEHRSA-N 1 0 460.573 3.656 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)C1 ZINC001307042820 1069773084 /nfs/dbraw/zinc/77/30/84/1069773084.db2.gz VHYSWQSNFMEYFN-ROUUACIJSA-N 1 0 460.573 3.608 20 0 JHADRO CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001312203611 1069778284 /nfs/dbraw/zinc/77/82/84/1069778284.db2.gz CMZZESXKJLVQHB-GOSISDBHSA-N 1 0 456.656 3.956 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2C[C@H](C)OC)cc1 ZINC001314197195 1069778971 /nfs/dbraw/zinc/77/89/71/1069778971.db2.gz KLELOHZEBYINBR-PCCBWWKXSA-N 1 0 487.645 3.541 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CCC(=O)NC)cc1 ZINC001314197198 1069779192 /nfs/dbraw/zinc/77/91/92/1069779192.db2.gz KLWDEDNQEIGAPQ-ORFBVSJDSA-N 1 0 498.672 3.654 20 0 JHADRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC001312207403 1069782585 /nfs/dbraw/zinc/78/25/85/1069782585.db2.gz YOTOJVOFJLEVDT-SFHVURJKSA-N 1 0 451.546 3.529 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C)o3)n2CCc2cccc(C(=O)NC)c2)CC1 ZINC001307044982 1069780141 /nfs/dbraw/zinc/78/01/41/1069780141.db2.gz CNLZROZWTDNEPO-UHFFFAOYSA-N 1 0 464.614 3.759 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001307045142 1069781086 /nfs/dbraw/zinc/78/10/86/1069781086.db2.gz KWFOCAGEMQMUEP-QHCPKHFHSA-N 1 0 459.610 3.979 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(OC)c3)n2CCNC(=O)c2cccs2)CC1 ZINC001307046224 1069784644 /nfs/dbraw/zinc/78/46/44/1069784644.db2.gz TVMLZTHWDJQGPC-UHFFFAOYSA-N 1 0 482.654 3.756 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)CC)CC1 ZINC001307045467 1069782206 /nfs/dbraw/zinc/78/22/06/1069782206.db2.gz JRDIESHLDHCYNX-UHFFFAOYSA-N 1 0 475.703 3.988 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(C(=O)c4ccc(C)s4)CC3)nnc2C(C)(C)C)C1 ZINC001307046385 1069785326 /nfs/dbraw/zinc/78/53/26/1069785326.db2.gz KNFMEZVPZCLVHK-IBGZPJMESA-N 1 0 458.676 3.640 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CSc3ccc(C)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001307046531 1069786082 /nfs/dbraw/zinc/78/60/82/1069786082.db2.gz QBPIZCLJOSGTDB-FQEVSTJZSA-N 1 0 470.687 3.668 20 0 JHADRO CC[C@H](NC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001312219610 1069790509 /nfs/dbraw/zinc/79/05/09/1069790509.db2.gz XUIAORSIIKRWOP-OOYIDZMOSA-N 1 0 472.630 3.506 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2C[C@@H](C(C)C)N2CCOCC2)CC1 ZINC001307047804 1069791340 /nfs/dbraw/zinc/79/13/40/1069791340.db2.gz AFQMUZHDPWSLIJ-VWLOTQADSA-N 1 0 486.680 3.675 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001307047775 1069791373 /nfs/dbraw/zinc/79/13/73/1069791373.db2.gz ZRBHSTMLBXSDIG-JMJGKCIBSA-N 1 0 477.694 3.559 20 0 JHADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC001312230202 1069795216 /nfs/dbraw/zinc/79/52/16/1069795216.db2.gz YZALFGHCCMZLRB-LJQANCHMSA-N 1 0 450.555 3.685 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001314201962 1069798915 /nfs/dbraw/zinc/79/89/15/1069798915.db2.gz XEXSXIZAEHWAGU-NHCUHLMSSA-N 1 0 498.672 3.748 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001314201256 1069795268 /nfs/dbraw/zinc/79/52/68/1069795268.db2.gz VWNSULVQUIWMQA-YPAWHYETSA-N 1 0 498.672 3.604 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001307049470 1069797368 /nfs/dbraw/zinc/79/73/68/1069797368.db2.gz LMBDJWNAHOAGRD-RUZDIDTESA-N 1 0 452.578 3.698 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(OC)cc3)n2Cc2nc(C)cs2)CC1 ZINC001307051459 1069804386 /nfs/dbraw/zinc/80/43/86/1069804386.db2.gz OBTVZVBBUULWFC-UHFFFAOYSA-N 1 0 470.643 3.990 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCCC[C@@H](SCC)C2)C1 ZINC001307050558 1069801098 /nfs/dbraw/zinc/80/10/98/1069801098.db2.gz ZIOHZQJCOHIAQT-MBDNFAEBSA-N 1 0 465.708 3.846 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c(F)cc(F)c(F)c2F)CC1 ZINC001307050907 1069802510 /nfs/dbraw/zinc/80/25/10/1069802510.db2.gz HGXVWTATHFMNHN-NYHFZMIOSA-N 1 0 499.553 3.917 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(OC)CCOC2)CC1 ZINC001307051102 1069803126 /nfs/dbraw/zinc/80/31/26/1069803126.db2.gz WZKGXKRLLOFODI-UQBPGWFLSA-N 1 0 475.609 3.673 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CSc3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 ZINC001307051249 1069803679 /nfs/dbraw/zinc/80/36/79/1069803679.db2.gz LSOSYLPTKLABCN-UHFFFAOYSA-N 1 0 486.107 3.579 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2CC2=CCCOC2)cc1 ZINC001314202934 1069805256 /nfs/dbraw/zinc/80/52/56/1069805256.db2.gz ZZCXTTBYHOZWKY-VQTJNVASSA-N 1 0 455.603 3.694 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3n[nH]c(=O)c4ccccc43)n2C[C@@H](OC)[C@H](C)CC)CC1 ZINC001307051971 1069806703 /nfs/dbraw/zinc/80/67/03/1069806703.db2.gz PJQLYTCWVCCAJB-XMSQKQJNSA-N 1 0 481.645 3.966 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2CCCO2)cc1 ZINC001314203443 1069807306 /nfs/dbraw/zinc/80/73/06/1069807306.db2.gz SYTCAERGDHYITG-NFBKMPQASA-N 1 0 457.619 3.916 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001307052927 1069809713 /nfs/dbraw/zinc/80/97/13/1069809713.db2.gz ADODPRDORNCMQV-ZWKOTPCHSA-N 1 0 489.462 3.639 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001307052895 1069809959 /nfs/dbraw/zinc/80/99/59/1069809959.db2.gz ITHVHZCCTWYBCX-ROUUACIJSA-N 1 0 462.639 3.718 20 0 JHADRO COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001312253748 1069811416 /nfs/dbraw/zinc/81/14/16/1069811416.db2.gz LYJLKGKPCNCHBB-CEMLEFRQSA-N 1 0 450.583 3.718 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307053703 1069813668 /nfs/dbraw/zinc/81/36/68/1069813668.db2.gz JNFGRVUGJRLBJV-CVDCTZTESA-N 1 0 486.636 3.927 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307053702 1069813700 /nfs/dbraw/zinc/81/37/00/1069813700.db2.gz JNFGRVUGJRLBJV-AUSIDOKSSA-N 1 0 486.636 3.927 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307053284 1069812228 /nfs/dbraw/zinc/81/22/28/1069812228.db2.gz CNGQXHOQTDFALH-HSZRJFAPSA-N 1 0 498.672 3.722 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccsc3)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001307053901 1069813814 /nfs/dbraw/zinc/81/38/14/1069813814.db2.gz UXDUTMONEAOTGW-UHFFFAOYSA-N 1 0 466.655 3.649 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(CC(C)(C)C)n2Cc2cccc(-n3cncn3)c2)CC1 ZINC001307054716 1069817583 /nfs/dbraw/zinc/81/75/83/1069817583.db2.gz HPASMECKJISRDU-UHFFFAOYSA-N 1 0 450.635 3.806 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001312266196 1069823767 /nfs/dbraw/zinc/82/37/67/1069823767.db2.gz PZDSVUBDJHPJIA-HXUWFJFHSA-N 1 0 451.453 3.833 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001307055207 1069820597 /nfs/dbraw/zinc/82/05/97/1069820597.db2.gz NLFJJVQYYMVFMJ-FXAWDEMLSA-N 1 0 489.462 3.639 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C1 ZINC001307056006 1069824521 /nfs/dbraw/zinc/82/45/21/1069824521.db2.gz SGOJXZPLCGERAJ-NQIIRXRSSA-N 1 0 459.038 3.972 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3COc4ccccc4O3)n2C[C@](C)(O)C(C)C)CC1 ZINC001307056164 1069824891 /nfs/dbraw/zinc/82/48/91/1069824891.db2.gz PDYYNINCQULMIM-DHLKQENFSA-N 1 0 457.619 3.508 20 0 JHADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC001312270330 1069826579 /nfs/dbraw/zinc/82/65/79/1069826579.db2.gz PJRRCMBYXNEANM-GOSISDBHSA-N 1 0 451.409 3.684 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001307056443 1069827852 /nfs/dbraw/zinc/82/78/52/1069827852.db2.gz SWIOSIIBDSYTTP-ZBLYBZFDSA-N 1 0 498.672 3.579 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C)C1 ZINC001307056677 1069828140 /nfs/dbraw/zinc/82/81/40/1069828140.db2.gz WDRHNBVTDOSYHK-DOTOQJQBSA-N 1 0 451.413 3.525 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001307057347 1069833263 /nfs/dbraw/zinc/83/32/63/1069833263.db2.gz IYGKPUIITTZPGH-YPAWHYETSA-N 1 0 490.693 3.788 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307057181 1069831963 /nfs/dbraw/zinc/83/19/63/1069831963.db2.gz HUEQTPUCOYAOGG-NJDAHSKKSA-N 1 0 476.666 3.888 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC001307057674 1069836320 /nfs/dbraw/zinc/83/63/20/1069836320.db2.gz WXFKRBAVSBNVHW-RBBKRZOGSA-N 1 0 455.647 3.980 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001307057921 1069836700 /nfs/dbraw/zinc/83/67/00/1069836700.db2.gz GSJCKEDPOYRAAB-NHOCJEJCSA-N 1 0 480.682 3.902 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001307057882 1069836753 /nfs/dbraw/zinc/83/67/53/1069836753.db2.gz GKLKBWLKMJSISQ-YLJYHZDGSA-N 1 0 499.651 3.971 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001307058990 1069841267 /nfs/dbraw/zinc/84/12/67/1069841267.db2.gz RRHBKFXPJASJCZ-MOPGFXCFSA-N 1 0 471.568 3.784 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)n1 ZINC001314213805 1069841844 /nfs/dbraw/zinc/84/18/44/1069841844.db2.gz USNMSLLBGKDNII-OAQYLSRUSA-N 1 0 455.651 3.642 20 0 JHADRO CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001314214219 1069842857 /nfs/dbraw/zinc/84/28/57/1069842857.db2.gz STXXXCGGJHMDNF-GGAORHGYSA-N 1 0 454.663 3.843 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001307059541 1069845378 /nfs/dbraw/zinc/84/53/78/1069845378.db2.gz UKXPJHIQSCGZAP-XZOQPEGZSA-N 1 0 468.646 3.535 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001307059846 1069846836 /nfs/dbraw/zinc/84/68/36/1069846836.db2.gz WKWOLUOMHGSJSH-PKTZIBPZSA-N 1 0 482.673 3.830 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC001307059728 1069847016 /nfs/dbraw/zinc/84/70/16/1069847016.db2.gz ZKCHFHLPGSZNQR-VXKWHMMOSA-N 1 0 457.667 3.542 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)[C@H]1c1ccc(F)cc1 ZINC001312307288 1069851424 /nfs/dbraw/zinc/85/14/24/1069851424.db2.gz XJODLWBSKZGHCI-RCCFBDPRSA-N 1 0 456.509 3.515 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)[C@@H]1c1ccc(F)cc1 ZINC001312307284 1069851511 /nfs/dbraw/zinc/85/15/11/1069851511.db2.gz XJODLWBSKZGHCI-KSZLIROESA-N 1 0 456.509 3.515 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001314218221 1069858153 /nfs/dbraw/zinc/85/81/53/1069858153.db2.gz UBXXWDKQVLUEJN-HSZRJFAPSA-N 1 0 471.646 3.849 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001307062612 1069859124 /nfs/dbraw/zinc/85/91/24/1069859124.db2.gz LALGGECTVQJPMK-BDTNDASRSA-N 1 0 472.653 3.894 20 0 JHADRO CCCN1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)C[NH+]2CCCCC2)CC1=O ZINC001307062679 1069860031 /nfs/dbraw/zinc/86/00/31/1069860031.db2.gz SVQVSPFNCGXHSG-OAQYLSRUSA-N 1 0 468.646 3.524 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001307063307 1069862877 /nfs/dbraw/zinc/86/28/77/1069862877.db2.gz PRNPEZHYZIAQLA-XPWALMASSA-N 1 0 484.689 3.764 20 0 JHADRO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001312322042 1069862945 /nfs/dbraw/zinc/86/29/45/1069862945.db2.gz VHXSXGHPIUOBOH-NLFFAJNJSA-N 1 0 454.590 3.650 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC(F)(F)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314219769 1069864228 /nfs/dbraw/zinc/86/42/28/1069864228.db2.gz DLXLPPQFGXFFHD-KRWDZBQOSA-N 1 0 461.513 3.997 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[C@@H](COC)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314221440 1069872057 /nfs/dbraw/zinc/87/20/57/1069872057.db2.gz YOCVDRVSFDLQCT-NFBKMPQASA-N 1 0 471.646 3.849 20 0 JHADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001312335707 1069870745 /nfs/dbraw/zinc/87/07/45/1069870745.db2.gz FUJRCRDEOCSHHO-LJQANCHMSA-N 1 0 457.619 3.650 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@@H]1C ZINC001307069209 1069879744 /nfs/dbraw/zinc/87/97/44/1069879744.db2.gz QVBNHWAEPZEEMB-UWHLTILDSA-N 1 0 476.666 3.538 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCc3c(cc[nH]c3=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001314222878 1069878877 /nfs/dbraw/zinc/87/88/77/1069878877.db2.gz RHTHPDZYBSVPAW-UHFFFAOYSA-N 1 0 480.613 3.507 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC001307072883 1069886522 /nfs/dbraw/zinc/88/65/22/1069886522.db2.gz NNKHSWBTAKYWML-MAUKXSAKSA-N 1 0 456.509 3.833 20 0 JHADRO CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001312357763 1069884502 /nfs/dbraw/zinc/88/45/02/1069884502.db2.gz ROGXUDVPXTZJIC-WQDFSMHNSA-N 1 0 454.659 3.869 20 0 JHADRO C[C@H](NC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(S(C)(=O)=O)cc1 ZINC001312358543 1069884910 /nfs/dbraw/zinc/88/49/10/1069884910.db2.gz XGRKEUMMLUTIDO-KXHCOYLBSA-N 1 0 455.624 3.751 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC(C)(C)COC ZINC001314225612 1069891361 /nfs/dbraw/zinc/89/13/61/1069891361.db2.gz MZSXKWKVVAMHQR-HXUWFJFHSA-N 1 0 457.619 3.603 20 0 JHADRO C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001312365818 1069890219 /nfs/dbraw/zinc/89/02/19/1069890219.db2.gz DAIKYIQHJJTRQJ-CPJSRVTESA-N 1 0 452.599 3.923 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001314226710 1069896323 /nfs/dbraw/zinc/89/63/23/1069896323.db2.gz VLHLTHHCMBAZJU-BHIFYINESA-N 1 0 471.646 3.991 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001314226713 1069897078 /nfs/dbraw/zinc/89/70/78/1069897078.db2.gz VLHLTHHCMBAZJU-YPAWHYETSA-N 1 0 471.646 3.991 20 0 JHADRO CCOc1ccnc(N2CCCN(c3nnc(C(C)(C)C)n3CC3([NH+](C)C)CCCCC3)CC2)n1 ZINC001314226932 1069899989 /nfs/dbraw/zinc/89/99/89/1069899989.db2.gz VWXYANMRBHXGIL-UHFFFAOYSA-N 1 0 484.693 3.746 20 0 JHADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C[C@H]1C ZINC001312391638 1069904917 /nfs/dbraw/zinc/90/49/17/1069904917.db2.gz HTYIYOQGFWGKOD-UXPWSPDFSA-N 1 0 454.537 3.711 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314229776 1069913210 /nfs/dbraw/zinc/91/32/10/1069913210.db2.gz WWXQQHFYZHDQDC-SFTDATJTSA-N 1 0 471.646 3.991 20 0 JHADRO Cc1cccc2c1OC[C@H](NC(=O)NCCc1ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc1)C2 ZINC001312406301 1069913977 /nfs/dbraw/zinc/91/39/77/1069913977.db2.gz VYSXTNJFHXWRQH-AWRGLXIESA-N 1 0 451.611 3.807 20 0 JHADRO C[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312414972 1069920558 /nfs/dbraw/zinc/92/05/58/1069920558.db2.gz NBBSGCMKIWFWLI-GGXPGOJBSA-N 1 0 454.974 3.827 20 0 JHADRO C[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(CC(F)(F)F)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312411912 1069917920 /nfs/dbraw/zinc/91/79/20/1069917920.db2.gz JOHOSGNQTIMSBM-KSSFIOAISA-N 1 0 450.908 3.798 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)Cc2ccccc21 ZINC001312412655 1069917991 /nfs/dbraw/zinc/91/79/91/1069917991.db2.gz MCQOMROUFKVIGK-DKZVUGQWSA-N 1 0 459.949 3.954 20 0 JHADRO C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN2CC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312414020 1069919046 /nfs/dbraw/zinc/91/90/46/1069919046.db2.gz IREADEXDCZPZLN-IIDMSEBBSA-N 1 0 450.908 3.798 20 0 JHADRO C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN2CC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312414021 1069919757 /nfs/dbraw/zinc/91/97/57/1069919757.db2.gz IREADEXDCZPZLN-RKVPGOIHSA-N 1 0 450.908 3.798 20 0 JHADRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCOc3c(Cl)cc(Br)cc3Cl)CC[C@H]21 ZINC001312422422 1069925182 /nfs/dbraw/zinc/92/51/82/1069925182.db2.gz LRXHRORLVXHSPC-XHDPSFHLSA-N 1 0 451.192 3.870 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1(C)C ZINC001314239515 1069940338 /nfs/dbraw/zinc/94/03/38/1069940338.db2.gz FZFIMQCGARJRKR-BHIFYINESA-N 1 0 474.694 3.666 20 0 JHADRO O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001312444546 1069941959 /nfs/dbraw/zinc/94/19/59/1069941959.db2.gz UPDMWTMRGPNJCH-UHFFFAOYSA-N 1 0 457.884 3.886 20 0 JHADRO CC(C)Oc1cccc(-c2nnc(SC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)n2N)c1 ZINC001307315136 1069942320 /nfs/dbraw/zinc/94/23/20/1069942320.db2.gz JDPBWBOMXOEBRE-JOCHJYFZSA-N 1 0 453.612 3.829 20 0 JHADRO CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC001312454168 1069947602 /nfs/dbraw/zinc/94/76/02/1069947602.db2.gz KQBHBTOAAIZBQI-VQIMIIECSA-N 1 0 453.425 3.673 20 0 JHADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 ZINC001312454429 1069947628 /nfs/dbraw/zinc/94/76/28/1069947628.db2.gz BDTNSONLDCPRPU-SFGWALBWSA-N 1 0 455.002 3.952 20 0 JHADRO CC[NH+](CC)CCOCCNC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001312466715 1069955320 /nfs/dbraw/zinc/95/53/20/1069955320.db2.gz POSGRMKSHNOYKE-SFTDATJTSA-N 1 0 454.656 3.556 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(Cn3nc(C)cc3C)n2CC2(SC)CC[NH+](C)CC2)C1(C)C ZINC001314246383 1069962839 /nfs/dbraw/zinc/96/28/39/1069962839.db2.gz BBBURAAEWRJKMB-LEWJYISDSA-N 1 0 489.734 3.607 20 0 JHADRO C[C@H](NC(=O)NC[C@H](CO)Cc1cccc(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001312482032 1069962840 /nfs/dbraw/zinc/96/28/40/1069962840.db2.gz VZGKLDHLMJXIOW-UHOSZYNNSA-N 1 0 452.437 3.552 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCC(C)CC2)C1(C)C ZINC001314246288 1069961864 /nfs/dbraw/zinc/96/18/64/1069961864.db2.gz AEIQJOJXKZXTKH-FGZHOGPDSA-N 1 0 457.667 3.511 20 0 JHADRO CCO[C@H]1C[C@H](N(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCCC2)C1(C)C ZINC001314247512 1069967052 /nfs/dbraw/zinc/96/70/52/1069967052.db2.gz WGQTWMSDZYKZAK-SFTDATJTSA-N 1 0 489.064 3.597 20 0 JHADRO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC001312489012 1069967809 /nfs/dbraw/zinc/96/78/09/1069967809.db2.gz HREOTFNSFDRSDS-WIYYLYMNSA-N 1 0 457.585 3.906 20 0 JHADRO COc1cccc(N2CC[NH+](CCSCC(=O)Nc3ccc(N4CCCC4)cc3)CC2)c1 ZINC001307396478 1069968422 /nfs/dbraw/zinc/96/84/22/1069968422.db2.gz NSIFCLLTBVIZLX-UHFFFAOYSA-N 1 0 454.640 3.789 20 0 JHADRO COc1cccc(N2CC[NH+](CCSCC(=O)Nc3ncc(Cl)cc3Cl)CC2)c1 ZINC001307396738 1069968582 /nfs/dbraw/zinc/96/85/82/1069968582.db2.gz ZNMSLKZJFYMVSH-UHFFFAOYSA-N 1 0 455.411 3.891 20 0 JHADRO CCO[C@H]1C[C@@H](N(C)c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2CCC(C)CC2)C1(C)C ZINC001314248815 1069972286 /nfs/dbraw/zinc/97/22/86/1069972286.db2.gz IPPODKXIMKBNJP-PKTZIBPZSA-N 1 0 471.694 3.902 20 0 JHADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC001307416440 1069974285 /nfs/dbraw/zinc/97/42/85/1069974285.db2.gz XCBVPIGPYFZSQA-KSFYIVLOSA-N 1 0 457.398 3.626 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@H]([NH+]2CCC(NC(=O)c3ccsc3)CC2)[C@@H](O)c2ccccc21 ZINC001307429351 1069980531 /nfs/dbraw/zinc/98/05/31/1069980531.db2.gz WDOJNHAIUWRPAZ-RTWAWAEBSA-N 1 0 457.596 3.800 20 0 JHADRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1(C)C ZINC001314256714 1069992839 /nfs/dbraw/zinc/99/28/39/1069992839.db2.gz LTCWKDDASKDGHJ-BHDDXSALSA-N 1 0 469.609 3.760 20 0 JHADRO CCN(CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001307450750 1069991218 /nfs/dbraw/zinc/99/12/18/1069991218.db2.gz SEQWLVQLOZAINZ-RDPSFJRHSA-N 1 0 457.640 3.966 20 0 JHADRO CCOC1CC(O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001314259517 1069997757 /nfs/dbraw/zinc/99/77/57/1069997757.db2.gz GNRWFRKBFJLGDT-UHFFFAOYSA-N 1 0 480.028 3.978 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001312533542 1069996387 /nfs/dbraw/zinc/99/63/87/1069996387.db2.gz RUKHAVKMGFQVPD-LDVJMBRRSA-N 1 0 456.631 3.986 20 0 JHADRO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001307461549 1069998528 /nfs/dbraw/zinc/99/85/28/1069998528.db2.gz DDIAYRIJYKXKAE-ZWKOTPCHSA-N 1 0 454.011 3.755 20 0 JHADRO CCOC1CC(O)(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC([NH+](CC)CC)CC2)C1 ZINC001314260073 1069999627 /nfs/dbraw/zinc/99/96/27/1069999627.db2.gz UOUKJPQQJAQHJO-UHFFFAOYSA-N 1 0 462.038 3.839 20 0 JHADRO COCC[NH+](CCOC)C1CCN(C(=O)NCC2(c3ccc(F)cc3F)CCCC2)CC1 ZINC001312544373 1070004357 /nfs/dbraw/zinc/00/43/57/1070004357.db2.gz URKCDIBSIJEVMD-UHFFFAOYSA-N 1 0 453.574 3.545 20 0 JHADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001312549585 1070006261 /nfs/dbraw/zinc/00/62/61/1070006261.db2.gz HEYKFBJCPRQYDR-AUUYWEPGSA-N 1 0 456.400 3.916 20 0 JHADRO CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001312549916 1070006997 /nfs/dbraw/zinc/00/69/97/1070006997.db2.gz AQXSPKKQISYQQM-BZUAXINKSA-N 1 0 469.426 3.691 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCCCC2)C1 ZINC001314264984 1070010265 /nfs/dbraw/zinc/01/02/65/1070010265.db2.gz IMZUFRBRPGZJCB-GOSISDBHSA-N 1 0 465.440 3.917 20 0 JHADRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC001307483793 1070010576 /nfs/dbraw/zinc/01/05/76/1070010576.db2.gz VHVLPAOTCSGIMG-LJQANCHMSA-N 1 0 451.633 3.853 20 0 JHADRO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001307486669 1070012218 /nfs/dbraw/zinc/01/22/18/1070012218.db2.gz XPERCNHUTSDDOU-GOSISDBHSA-N 1 0 457.416 3.545 20 0 JHADRO CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)C ZINC001307492709 1070016346 /nfs/dbraw/zinc/01/63/46/1070016346.db2.gz DTDPMYIJRFBCEM-OAQYLSRUSA-N 1 0 451.633 3.707 20 0 JHADRO Cc1ccc(C(=O)N2CCN(C(=O)NC[C@H](C3CC3)[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC001312559084 1070013804 /nfs/dbraw/zinc/01/38/04/1070013804.db2.gz LGHPRHBFAXOUPE-XMMPIXPASA-N 1 0 452.574 3.512 20 0 JHADRO Cc1ccc([C@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@H](C)S(C)(=O)=O)cc1 ZINC001312559114 1070014193 /nfs/dbraw/zinc/01/41/93/1070014193.db2.gz LPWNVPUZSNJBFI-WDJPJFJCSA-N 1 0 457.640 3.679 20 0 JHADRO COC(=O)CC[N@H+](CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1)C1CCOCC1 ZINC001307501837 1070020297 /nfs/dbraw/zinc/02/02/97/1070020297.db2.gz ZYQHCAHPSHATRG-UHFFFAOYSA-N 1 0 451.976 3.755 20 0 JHADRO COC(=O)CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCOCC1 ZINC001307499707 1070017879 /nfs/dbraw/zinc/01/78/79/1070017879.db2.gz NUMHKGHGUYMPHJ-UHFFFAOYSA-N 1 0 456.383 3.707 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314269758 1070022951 /nfs/dbraw/zinc/02/29/51/1070022951.db2.gz XANXTDGIZSVVLV-VSKRKVRLSA-N 1 0 489.636 3.919 20 0 JHADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)CCC1 ZINC001307512817 1070027838 /nfs/dbraw/zinc/02/78/38/1070027838.db2.gz HBDRRUJGNFQAIM-QZTJIDSGSA-N 1 0 459.450 3.588 20 0 JHADRO O=C(/C=C/c1ccccc1)NCCCNC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001312585264 1070029498 /nfs/dbraw/zinc/02/94/98/1070029498.db2.gz WZTTULUCEZKBAJ-KRWZDEKQSA-N 1 0 460.622 3.806 20 0 JHADRO CSc1ccc([C@@H](CNC(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)[NH+](C)C)cc1 ZINC001312585100 1070029646 /nfs/dbraw/zinc/02/96/46/1070029646.db2.gz DNIFSZNDXHCMSM-XZOQPEGZSA-N 1 0 450.608 3.914 20 0 JHADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 ZINC001307518213 1070030147 /nfs/dbraw/zinc/03/01/47/1070030147.db2.gz AVJUQUQLKJPCHB-IBGZPJMESA-N 1 0 459.594 3.671 20 0 JHADRO O=C(CC[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC001307519812 1070030387 /nfs/dbraw/zinc/03/03/87/1070030387.db2.gz IUXWOSDODDRUTE-UHFFFAOYSA-N 1 0 458.400 3.945 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001314274302 1070030893 /nfs/dbraw/zinc/03/08/93/1070030893.db2.gz HEDSFTGOODWVCA-BJKOFHAPSA-N 1 0 465.646 3.756 20 0 JHADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CCC1 ZINC001307512818 1070027405 /nfs/dbraw/zinc/02/74/05/1070027405.db2.gz HBDRRUJGNFQAIM-ROUUACIJSA-N 1 0 459.450 3.588 20 0 JHADRO CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001312597774 1070036711 /nfs/dbraw/zinc/03/67/11/1070036711.db2.gz BVFWAPCNHFLGPD-WOJBJXKFSA-N 1 0 457.537 3.884 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314276668 1070034996 /nfs/dbraw/zinc/03/49/96/1070034996.db2.gz RJRDZBVTJOWSDP-BJKOFHAPSA-N 1 0 455.647 3.539 20 0 JHADRO C[NH+](C)C[C@H](NC(=O)NCc1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)cc1 ZINC001312596186 1070035413 /nfs/dbraw/zinc/03/54/13/1070035413.db2.gz XIHXCGPCSDWFFX-FQEVSTJZSA-N 1 0 451.398 3.932 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001314278985 1070040072 /nfs/dbraw/zinc/04/00/72/1070040072.db2.gz VDUQXIVKUBYJMH-XMMPIXPASA-N 1 0 469.674 3.958 20 0 JHADRO CCOCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001314281335 1070046767 /nfs/dbraw/zinc/04/67/67/1070046767.db2.gz RJOHBRPPDPGSET-UHFFFAOYSA-N 1 0 483.661 3.690 20 0 JHADRO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)NCCCOc1ccccc1F ZINC001307551140 1070048200 /nfs/dbraw/zinc/04/82/00/1070048200.db2.gz DRVLTFOLDWXQFT-HOYKHHGWSA-N 1 0 451.583 3.774 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(C(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2(C)CCCC2)CC1 ZINC001307575997 1070061552 /nfs/dbraw/zinc/06/15/52/1070061552.db2.gz NNUXFQUBQMLTDV-UHFFFAOYSA-N 1 0 459.587 3.629 20 0 JHADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)cc(=O)oc2c1 ZINC001307572243 1070058347 /nfs/dbraw/zinc/05/83/47/1070058347.db2.gz UXZCBBNENSLJJL-OAHLLOKOSA-N 1 0 454.914 3.651 20 0 JHADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001307572566 1070059389 /nfs/dbraw/zinc/05/93/89/1070059389.db2.gz BSRKNNKUNOJTNC-DEVSCXNHSA-N 1 0 453.549 3.504 20 0 JHADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1)[NH+](C)C ZINC001312657975 1070066923 /nfs/dbraw/zinc/06/69/23/1070066923.db2.gz CAFQFUPDRFVJTQ-REHUZNOOSA-N 1 0 451.615 3.913 20 0 JHADRO C[C@@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC001312661891 1070068995 /nfs/dbraw/zinc/06/89/95/1070068995.db2.gz UBTPMNZOJUBUKZ-FOIQADDNSA-N 1 0 452.368 3.784 20 0 JHADRO COc1ccc(C[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C2CCCCC2)cc1OC ZINC001307591244 1070070367 /nfs/dbraw/zinc/07/03/67/1070070367.db2.gz IOEZKJCYGAOAEI-UHFFFAOYSA-N 1 0 455.599 3.776 20 0 JHADRO C[C@H]1CCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001312669611 1070072341 /nfs/dbraw/zinc/07/23/41/1070072341.db2.gz AVTBHEHESMIAEN-QFIPXVFZSA-N 1 0 450.627 3.966 20 0 JHADRO COCCC[C@H](CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccc(Cl)cc1 ZINC001312670643 1070072694 /nfs/dbraw/zinc/07/26/94/1070072694.db2.gz ZXSQRWFQWVWUKD-JOCHJYFZSA-N 1 0 451.055 3.519 20 0 JHADRO COC(=O)c1cc(C(=O)CN2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c(C)[nH]1 ZINC001307598509 1070073566 /nfs/dbraw/zinc/07/35/66/1070073566.db2.gz AUWNGXXTLRKZNN-UHFFFAOYSA-N 1 0 451.489 3.908 20 0 JHADRO CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC001312673171 1070074646 /nfs/dbraw/zinc/07/46/46/1070074646.db2.gz YODXZCCFLHWGHJ-QGZVFWFLSA-N 1 0 452.020 3.968 20 0 JHADRO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2c(F)ccc(Br)c2F)CC1 ZINC001307600160 1070074792 /nfs/dbraw/zinc/07/47/92/1070074792.db2.gz ZVFUCCJRZUUPNF-UHFFFAOYSA-N 1 0 458.391 3.932 20 0 JHADRO CCOCc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001314294509 1070077177 /nfs/dbraw/zinc/07/71/77/1070077177.db2.gz CDOPPWUSJYQEGL-IBGZPJMESA-N 1 0 485.032 3.735 20 0 JHADRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(Cl)ccc1F ZINC001307611738 1070081290 /nfs/dbraw/zinc/08/12/90/1070081290.db2.gz RVQNHKYKVWJMCF-OAHLLOKOSA-N 1 0 453.967 3.943 20 0 JHADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+]C1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001307612341 1070081324 /nfs/dbraw/zinc/08/13/24/1070081324.db2.gz ALHIAJDLKHUFNZ-UHFFFAOYSA-N 1 0 459.612 3.638 20 0 JHADRO CCOCc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314298383 1070081678 /nfs/dbraw/zinc/08/16/78/1070081678.db2.gz VQJIBHBUHCDDEM-LJQANCHMSA-N 1 0 498.441 3.835 20 0 JHADRO CCOCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001314300945 1070084232 /nfs/dbraw/zinc/08/42/32/1070084232.db2.gz CARWKNRIFABFHF-UHFFFAOYSA-N 1 0 482.673 3.678 20 0 JHADRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2Cl)ccc1OCCO ZINC001307622404 1070085641 /nfs/dbraw/zinc/08/56/41/1070085641.db2.gz CXEBDDQTLQTSME-GFCCVEGCSA-N 1 0 457.752 3.772 20 0 JHADRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Br)ccc1OCCO ZINC001307623958 1070086519 /nfs/dbraw/zinc/08/65/19/1070086519.db2.gz RRGSBVPQESUYEJ-GJZGRUSLSA-N 1 0 451.361 3.815 20 0 JHADRO Cc1ccc(CCNC(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)cc1C ZINC001312700835 1070086617 /nfs/dbraw/zinc/08/66/17/1070086617.db2.gz WJPBSVYIHXMPBJ-UHFFFAOYSA-N 1 0 450.627 3.517 20 0 JHADRO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1 ZINC001307626239 1070087961 /nfs/dbraw/zinc/08/79/61/1070087961.db2.gz HXGQJQQYUXVTND-HXUWFJFHSA-N 1 0 451.489 3.964 20 0 JHADRO CCOCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@@](C)(O)c1ccco1 ZINC001314303492 1070089440 /nfs/dbraw/zinc/08/94/40/1070089440.db2.gz RNJRZWDDAUMMMQ-RQNQAMLKSA-N 1 0 467.614 3.805 20 0 JHADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](c1ccccc1C)[C@@H]1CCC[C@@H](C)C1 ZINC001307634090 1070093015 /nfs/dbraw/zinc/09/30/15/1070093015.db2.gz ZGLRYAHCWYKHEW-OSWMTFESSA-N 1 0 459.612 3.747 20 0 JHADRO CCOCc1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314306649 1070093556 /nfs/dbraw/zinc/09/35/56/1070093556.db2.gz QMEFJBUSDQGGDR-BGYRXZFFSA-N 1 0 471.646 3.979 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CCC[C@H]1CC ZINC001314311602 1070098811 /nfs/dbraw/zinc/09/88/11/1070098811.db2.gz ISKYSLULGVZMBP-IUBSTNSRSA-N 1 0 457.667 3.894 20 0 JHADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)NCC1(c2ccccc2Br)CCCCC1 ZINC001312729222 1070095705 /nfs/dbraw/zinc/09/57/05/1070095705.db2.gz OHRMXICVLSXZEF-GOSISDBHSA-N 1 0 452.437 3.797 20 0 JHADRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC001307641230 1070096718 /nfs/dbraw/zinc/09/67/18/1070096718.db2.gz VVMLVAHOIKQRSL-AREMUKBSSA-N 1 0 457.574 3.828 20 0 JHADRO C[C@@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)[NH+]1CCC(CCC(N)=O)CC1 ZINC001307648311 1070099867 /nfs/dbraw/zinc/09/98/67/1070099867.db2.gz OQMWMLWYFXSXTR-KKSFZXQISA-N 1 0 456.974 3.977 20 0 JHADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC001307648400 1070100921 /nfs/dbraw/zinc/10/09/21/1070100921.db2.gz SZUADPAFLRXDDM-SFHVURJKSA-N 1 0 453.564 3.511 20 0 JHADRO COCCO[C@H]1CCC[N@H+](CC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC001307653202 1070103358 /nfs/dbraw/zinc/10/33/58/1070103358.db2.gz BTLPELPYCQMVRG-YKSBVNFPSA-N 1 0 453.583 3.586 20 0 JHADRO CSc1ccc([C@@H](CNC(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001312755581 1070105921 /nfs/dbraw/zinc/10/59/21/1070105921.db2.gz QFEMUKWUFQIZGL-YLJYHZDGSA-N 1 0 450.649 3.910 20 0 JHADRO C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1=O ZINC001312755884 1070106072 /nfs/dbraw/zinc/10/60/72/1070106072.db2.gz COPNDFPQBDQXMN-CTUHWIOQSA-N 1 0 452.574 3.794 20 0 JHADRO CCOCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001314321386 1070106502 /nfs/dbraw/zinc/10/65/02/1070106502.db2.gz IYFDXIDCWNRTSZ-HBFSDRIKSA-N 1 0 469.552 3.881 20 0 JHADRO CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2sccc2C)ccc1C ZINC001307667868 1070112943 /nfs/dbraw/zinc/11/29/43/1070112943.db2.gz PQHHBCRQQIQRPH-FQEVSTJZSA-N 1 0 457.621 3.785 20 0 JHADRO CC(C)(CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)cc1Cl ZINC001312769574 1070113016 /nfs/dbraw/zinc/11/30/16/1070113016.db2.gz VLWMIIIJEQUIMJ-INIZCTEOSA-N 1 0 458.828 3.621 20 0 JHADRO COc1ccc([C@@H]2CN(C(=O)NCCCCC[NH+]3CCCC3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001312775892 1070116028 /nfs/dbraw/zinc/11/60/28/1070116028.db2.gz HMCFALGMDJFXBA-XZOQPEGZSA-N 1 0 474.646 3.963 20 0 JHADRO O=C(NCCc1ccc(Br)cc1Cl)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001312782912 1070119150 /nfs/dbraw/zinc/11/91/50/1070119150.db2.gz OTCMSEQQGOMBSD-UHFFFAOYSA-N 1 0 458.828 3.789 20 0 JHADRO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[N@H+](C)[C@H]1CCCC[C@H]1C ZINC001307682401 1070122898 /nfs/dbraw/zinc/12/28/98/1070122898.db2.gz CXWXQJRYAIOSAR-NQIIRXRSSA-N 1 0 451.633 3.709 20 0 JHADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 ZINC001307682141 1070123056 /nfs/dbraw/zinc/12/30/56/1070123056.db2.gz HBKINUXSEIJKCY-GMAHTHKFSA-N 1 0 459.594 3.907 20 0 JHADRO COc1ccccc1C(=O)c1c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2CCO)sc2c1CCCC2 ZINC001307684659 1070124564 /nfs/dbraw/zinc/12/45/64/1070124564.db2.gz UDNCGAKAQQNGNL-QFBILLFUSA-N 1 0 456.608 3.946 20 0 JHADRO C[C@@H](NC(=O)C[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC001307691548 1070129353 /nfs/dbraw/zinc/12/93/53/1070129353.db2.gz GMPJPLOGERKZSR-RDTXWAMCSA-N 1 0 459.509 3.998 20 0 JHADRO CSC1(CNC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CC[NH+](C)CC1 ZINC001312799885 1070129892 /nfs/dbraw/zinc/12/98/92/1070129892.db2.gz LWTIVUIHNUCRHV-QGZVFWFLSA-N 1 0 459.443 3.933 20 0 JHADRO CSC1(CNC(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001312800177 1070129903 /nfs/dbraw/zinc/12/99/03/1070129903.db2.gz SRZKDIXNYUTHKI-AZUAARDMSA-N 1 0 480.650 3.655 20 0 JHADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccc(OCc2nccn2C)cc1 ZINC001307693141 1070130169 /nfs/dbraw/zinc/13/01/69/1070130169.db2.gz BUOQJHJFLSVTCA-IBGZPJMESA-N 1 0 454.596 3.732 20 0 JHADRO CCOCc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314336300 1070130793 /nfs/dbraw/zinc/13/07/93/1070130793.db2.gz WECREKMLMGZMNW-UGKGYDQZSA-N 1 0 487.542 3.786 20 0 JHADRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001307694388 1070131756 /nfs/dbraw/zinc/13/17/56/1070131756.db2.gz QFHICHVRYRTOJL-SJORKVTESA-N 1 0 458.584 3.786 20 0 JHADRO CCOCc1nnc(N2CCC(c3cccc(OC)c3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314337319 1070132615 /nfs/dbraw/zinc/13/26/15/1070132615.db2.gz ITECHXBTBKTXRR-OYRHEFFESA-N 1 0 471.646 3.707 20 0 JHADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC001307695176 1070132694 /nfs/dbraw/zinc/13/26/94/1070132694.db2.gz IJEVAYCGVOFHQK-SFHVURJKSA-N 1 0 456.450 3.760 20 0 JHADRO CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]CC(=O)N2CCN(Cc3ccco3)CC2)cc1 ZINC001307700285 1070135178 /nfs/dbraw/zinc/13/51/78/1070135178.db2.gz QHSTYBVNLYBFFX-DQEYMECFSA-N 1 0 455.599 3.692 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001314341093 1070140250 /nfs/dbraw/zinc/14/02/50/1070140250.db2.gz GBKWQIXIYIUJOV-PZJWPPBQSA-N 1 0 476.666 3.525 20 0 JHADRO CCOCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001314341391 1070140263 /nfs/dbraw/zinc/14/02/63/1070140263.db2.gz GBKWQIXIYIUJOV-TZIWHRDSSA-N 1 0 476.666 3.525 20 0 JHADRO O=C(NCc1ccncc1OC[C@H]1CCOC1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001312817126 1070139615 /nfs/dbraw/zinc/13/96/15/1070139615.db2.gz SYIGGOBVMDMYEY-PKTZIBPZSA-N 1 0 452.599 3.598 20 0 JHADRO Cc1cc(C(=O)N2CCN(C(=O)NC[C@@H](c3ccc(CC(C)C)cc3)[NH+](C)C)CC2)c(C)o1 ZINC001312818849 1070140668 /nfs/dbraw/zinc/14/06/68/1070140668.db2.gz POLUGODIRKRMDL-DEOSSOPVSA-N 1 0 454.615 3.865 20 0 JHADRO CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)C2)nc1C ZINC001312818607 1070140755 /nfs/dbraw/zinc/14/07/55/1070140755.db2.gz ZHQQMOHMGKXSJS-RLLQIKCJSA-N 1 0 456.612 3.790 20 0 JHADRO CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)C2)nc1C ZINC001312818609 1070140770 /nfs/dbraw/zinc/14/07/70/1070140770.db2.gz ZHQQMOHMGKXSJS-SXLOBPIMSA-N 1 0 456.612 3.790 20 0 JHADRO CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)C2)nc1C ZINC001312818580 1070140830 /nfs/dbraw/zinc/14/08/30/1070140830.db2.gz ZHQQMOHMGKXSJS-DFQSSKMNSA-N 1 0 456.612 3.790 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C[C@H]1OCCC1(C)C ZINC001314341936 1070142715 /nfs/dbraw/zinc/14/27/15/1070142715.db2.gz MISXPPRCCOVRMC-HSZRJFAPSA-N 1 0 455.647 3.978 20 0 JHADRO CCOCc1nnc(N2CCC(Cn3cc(C)cn3)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001314342677 1070144070 /nfs/dbraw/zinc/14/40/70/1070144070.db2.gz WWTXNRCMUFJQNK-QHCPKHFHSA-N 1 0 451.619 3.539 20 0 JHADRO C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001312827109 1070144687 /nfs/dbraw/zinc/14/46/87/1070144687.db2.gz WVDGQGAHLYRFOO-IFMALSPDSA-N 1 0 457.640 3.795 20 0 JHADRO COc1ccc(OC)c(CN(CCO)C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001312826243 1070144720 /nfs/dbraw/zinc/14/47/20/1070144720.db2.gz ZUEWYURFNMVAEO-QFIPXVFZSA-N 1 0 455.599 3.510 20 0 JHADRO CCOCc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001314343143 1070145763 /nfs/dbraw/zinc/14/57/63/1070145763.db2.gz VGMZXFWRJFSSNJ-LJQANCHMSA-N 1 0 482.551 3.511 20 0 JHADRO CCOCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001314343214 1070146740 /nfs/dbraw/zinc/14/67/40/1070146740.db2.gz XNUAEWOLJUAUQX-UHFFFAOYSA-N 1 0 497.562 3.505 20 0 JHADRO CCOCc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001314343984 1070147364 /nfs/dbraw/zinc/14/73/64/1070147364.db2.gz NPTDRQYPRJUTTO-PMACEKPBSA-N 1 0 464.655 3.525 20 0 JHADRO C[C@H]1CN(c2cccc(C[N@H+](C)C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)S(=O)(=O)C1 ZINC001307728700 1070153176 /nfs/dbraw/zinc/15/31/76/1070153176.db2.gz RWZFPFGNQMWSCT-AZUAARDMSA-N 1 0 451.633 3.551 20 0 JHADRO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC001307730775 1070154082 /nfs/dbraw/zinc/15/40/82/1070154082.db2.gz WZNMJHMHHUOZJF-SFHVURJKSA-N 1 0 459.537 3.650 20 0 JHADRO CCOCc1nnc(N2CCC(Oc3ccc(C)cc3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314348078 1070156680 /nfs/dbraw/zinc/15/66/80/1070156680.db2.gz BJDGBDIUSRMMOX-SZPZYZBQSA-N 1 0 471.646 3.670 20 0 JHADRO C[C@H]([NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001307740401 1070160356 /nfs/dbraw/zinc/16/03/56/1070160356.db2.gz GUUDKAFEDCAMIR-ROUUACIJSA-N 1 0 453.564 3.591 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c2ccccc2)cc1 ZINC001307743021 1070162094 /nfs/dbraw/zinc/16/20/94/1070162094.db2.gz ZENHMRZOXDTAFE-JMLJLYKJSA-N 1 0 458.624 3.673 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314348341 1070157644 /nfs/dbraw/zinc/15/76/44/1070157644.db2.gz AICFOMRIGMXYAC-HSALFYBXSA-N 1 0 478.682 3.675 20 0 JHADRO CCOCc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314350178 1070166881 /nfs/dbraw/zinc/16/68/81/1070166881.db2.gz YRJOMVQTNMLFEL-UHFFFAOYSA-N 1 0 478.041 3.570 20 0 JHADRO CCOCc1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001314349419 1070163625 /nfs/dbraw/zinc/16/36/25/1070163625.db2.gz NCESLQZRKGCPGE-NLFFAJNJSA-N 1 0 459.610 3.706 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001312881610 1070164651 /nfs/dbraw/zinc/16/46/51/1070164651.db2.gz RSAUJBUZLAQGEQ-TVZXLZGTSA-N 1 0 456.631 3.987 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC(OCc2ccccc2OC)CC1 ZINC001312884510 1070166336 /nfs/dbraw/zinc/16/63/36/1070166336.db2.gz HSPOICOVCXKLCX-SHQCIBLASA-N 1 0 481.637 3.923 20 0 JHADRO CC(C)[N@@H+](CC(=O)N1CCCCCC1)C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307751602 1070166558 /nfs/dbraw/zinc/16/65/58/1070166558.db2.gz AJMWXPSDYJJBGB-OAQYLSRUSA-N 1 0 451.652 3.906 20 0 JHADRO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+](C)[C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC001307752381 1070167714 /nfs/dbraw/zinc/16/77/14/1070167714.db2.gz HPYUQPRRZPAQHP-GOSISDBHSA-N 1 0 455.565 3.969 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@H+](CCCON3C(=O)c4ccccc4C3=O)C2)C1 ZINC001307772856 1070177077 /nfs/dbraw/zinc/17/70/77/1070177077.db2.gz JLMJYMSGFYTVMO-OALUTQOASA-N 1 0 457.571 3.573 20 0 JHADRO CCOCc1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001314356742 1070178398 /nfs/dbraw/zinc/17/83/98/1070178398.db2.gz VHKODMVQLUXAOM-JOCHJYFZSA-N 1 0 471.646 3.557 20 0 JHADRO COc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001307787038 1070181865 /nfs/dbraw/zinc/18/18/65/1070181865.db2.gz QBLIQSPUYXUCAU-MRXNPFEDSA-N 1 0 450.320 3.803 20 0 JHADRO COc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)c1 ZINC001307786580 1070182078 /nfs/dbraw/zinc/18/20/78/1070182078.db2.gz CMDORTQAPGWNNJ-INIZCTEOSA-N 1 0 450.320 3.803 20 0 JHADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)C1 ZINC001312927894 1070185708 /nfs/dbraw/zinc/18/57/08/1070185708.db2.gz ZMHCAEBHRKWMEX-QNTHMWBDSA-N 1 0 458.603 3.529 20 0 JHADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001312932792 1070187256 /nfs/dbraw/zinc/18/72/56/1070187256.db2.gz MTYZCJUUFIYZRO-WOJBJXKFSA-N 1 0 455.521 3.681 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314363818 1070190338 /nfs/dbraw/zinc/19/03/38/1070190338.db2.gz HMKUGLOTXWLTFM-RBUKOAKNSA-N 1 0 478.663 3.673 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CC1(SC)CCOCC1 ZINC001314363928 1070191160 /nfs/dbraw/zinc/19/11/60/1070191160.db2.gz FFNQXOSJIMXIEU-NHCUHLMSSA-N 1 0 465.708 3.818 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001314366334 1070198000 /nfs/dbraw/zinc/19/80/00/1070198000.db2.gz ULZGUMBCYSEFHA-JTAQYXEDSA-N 1 0 488.702 3.700 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001314365950 1070196622 /nfs/dbraw/zinc/19/66/22/1070196622.db2.gz NGWOJUASWZVJRI-KBTKQZAXSA-N 1 0 487.714 3.832 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC[C@@H](OC)C(F)(F)F ZINC001314365963 1070197347 /nfs/dbraw/zinc/19/73/47/1070197347.db2.gz NIWYCIVCJMIBIU-RTBURBONSA-N 1 0 461.573 3.730 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001314367012 1070200335 /nfs/dbraw/zinc/20/03/35/1070200335.db2.gz QKBKMMHSWOIPTM-LEWJYISDSA-N 1 0 478.682 3.772 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC001307821242 1070200555 /nfs/dbraw/zinc/20/05/55/1070200555.db2.gz VSKBWSLAJQVJTC-URXFXBBRSA-N 1 0 457.615 3.750 20 0 JHADRO CCCCC[N@H+](CCNC(=O)N1CCc2nnc(N3CCCC3)cc2C1)Cc1ccccc1 ZINC001312968381 1070203853 /nfs/dbraw/zinc/20/38/53/1070203853.db2.gz STXMZNUVVRADSP-UHFFFAOYSA-N 1 0 450.631 3.837 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1C[C@](C)(O)c1ccsc1 ZINC001314368536 1070203198 /nfs/dbraw/zinc/20/31/98/1070203198.db2.gz WCRHJENEWMVLAN-RDPSFJRHSA-N 1 0 461.676 3.876 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC2(O)CCCCC2)CC[C@H]1c1ccc(F)cc1 ZINC001307829532 1070204235 /nfs/dbraw/zinc/20/42/35/1070204235.db2.gz UXWSDYSLNMQQOO-FDFHNCONSA-N 1 0 450.595 3.955 20 0 JHADRO CC(C)(C)OC(=O)Nc1cccc(C2CC[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)c1 ZINC001307829409 1070204283 /nfs/dbraw/zinc/20/42/83/1070204283.db2.gz SUVAIZNYBDSFAQ-GOSISDBHSA-N 1 0 451.633 3.885 20 0 JHADRO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c1C ZINC001307836467 1070205931 /nfs/dbraw/zinc/20/59/31/1070205931.db2.gz GNQGAAHYQRWHBG-BPQIPLTHSA-N 1 0 451.489 3.609 20 0 JHADRO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001307843268 1070208772 /nfs/dbraw/zinc/20/87/72/1070208772.db2.gz LLZSXZYKSKIYDO-PTUXOGIPSA-N 1 0 456.631 3.875 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314370087 1070206768 /nfs/dbraw/zinc/20/67/68/1070206768.db2.gz VDXRXWBTXNTEIK-SJORKVTESA-N 1 0 481.523 3.767 20 0 JHADRO COC(=O)c1ccc(F)c(C[NH+]2CCC([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1 ZINC001307839680 1070207112 /nfs/dbraw/zinc/20/71/12/1070207112.db2.gz KLPUBJFQXGFTOI-FPOVZHCZSA-N 1 0 450.551 3.897 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001314370393 1070207225 /nfs/dbraw/zinc/20/72/25/1070207225.db2.gz WVMSMQJFYBAZQX-OAQYLSRUSA-N 1 0 455.651 3.600 20 0 JHADRO CCc1oc(C(=O)OC)cc1C[NH+]1CCC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001307840274 1070208071 /nfs/dbraw/zinc/20/80/71/1070208071.db2.gz QZRDVPACPVZLGX-QUCCMNQESA-N 1 0 450.576 3.913 20 0 JHADRO CCc1oc(C(=O)OC)cc1C[NH+]1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001307840273 1070208208 /nfs/dbraw/zinc/20/82/08/1070208208.db2.gz QZRDVPACPVZLGX-ICSRJNTNSA-N 1 0 450.576 3.913 20 0 JHADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)CC1 ZINC001307830668 1070204033 /nfs/dbraw/zinc/20/40/33/1070204033.db2.gz CESMTHVIWWDAMV-YADHBBJMSA-N 1 0 454.558 3.718 20 0 JHADRO C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)CCOc2ccccc2F)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307858247 1070212850 /nfs/dbraw/zinc/21/28/50/1070212850.db2.gz IXJOKZJZFAFWOZ-QYZOEREBSA-N 1 0 451.583 3.534 20 0 JHADRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1COc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC001307866744 1070217363 /nfs/dbraw/zinc/21/73/63/1070217363.db2.gz GYKQYZNMAPIRLW-HXUWFJFHSA-N 1 0 458.562 3.762 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001313007968 1070219298 /nfs/dbraw/zinc/21/92/98/1070219298.db2.gz OWFVHBACFRKZEW-IFMALSPDSA-N 1 0 458.603 3.964 20 0 JHADRO C[NH+]1CCC(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)(c2ccccc2)CC1 ZINC001313010008 1070219729 /nfs/dbraw/zinc/21/97/29/1070219729.db2.gz FHQJBDLITIXIIP-OAQYLSRUSA-N 1 0 456.631 3.881 20 0 JHADRO CCOCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001314378587 1070220974 /nfs/dbraw/zinc/22/09/74/1070220974.db2.gz MGLQSGWVXDOAEX-JOCHJYFZSA-N 1 0 494.606 3.726 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314380672 1070223247 /nfs/dbraw/zinc/22/32/47/1070223247.db2.gz AIGBQSMECAIDQQ-LJQANCHMSA-N 1 0 488.683 3.511 20 0 JHADRO CC(C)(C)OC(=O)CC1([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CCCCC1 ZINC001307879559 1070221657 /nfs/dbraw/zinc/22/16/57/1070221657.db2.gz PBNREFGKVRUMHG-UHFFFAOYSA-N 1 0 459.008 3.706 20 0 JHADRO COc1ccc(CN2CC[C@H]2CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC001313040780 1070231935 /nfs/dbraw/zinc/23/19/35/1070231935.db2.gz UUKCCPRHVUKXGF-VWLOTQADSA-N 1 0 450.627 3.823 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001314386806 1070233915 /nfs/dbraw/zinc/23/39/15/1070233915.db2.gz ROBQQZBXQVZLLJ-UHFFFAOYSA-N 1 0 498.672 3.641 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001314387079 1070234531 /nfs/dbraw/zinc/23/45/31/1070234531.db2.gz VYMZCOZUQIULSV-KRWDZBQOSA-N 1 0 492.587 3.535 20 0 JHADRO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@]2(C)Cc2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O ZINC001307912199 1070236937 /nfs/dbraw/zinc/23/69/37/1070236937.db2.gz PPAJHZGBHLNFLO-SANMLTNESA-N 1 0 454.615 3.765 20 0 JHADRO CCOCc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314388708 1070239461 /nfs/dbraw/zinc/23/94/61/1070239461.db2.gz BGRSIWQDONXHHB-UHFFFAOYSA-N 1 0 462.589 3.541 20 0 JHADRO CCOCc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001314388779 1070240237 /nfs/dbraw/zinc/24/02/37/1070240237.db2.gz LPFUESYFICVSAA-RBUKOAKNSA-N 1 0 460.589 3.542 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314389096 1070241371 /nfs/dbraw/zinc/24/13/71/1070241371.db2.gz HMFMJNOXMPNRHP-FQEVSTJZSA-N 1 0 466.552 3.500 20 0 JHADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)CC(C)(C)O1 ZINC001307919732 1070241706 /nfs/dbraw/zinc/24/17/06/1070241706.db2.gz UHYPFFSECAXIPO-DUXKGJEZSA-N 1 0 463.594 3.534 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@H](C)Oc1ccccc1OC ZINC001314389650 1070241797 /nfs/dbraw/zinc/24/17/97/1070241797.db2.gz CJKVSYRUOOYTGX-ORFBVSJDSA-N 1 0 471.646 3.991 20 0 JHADRO COc1cc(OC)c(NC(=O)CC[NH+]2CCC(O)(Cc3nc(C)cs3)CC2)cc1Cl ZINC001307920434 1070242544 /nfs/dbraw/zinc/24/25/44/1070242544.db2.gz BNCZWCJEHKCITC-UHFFFAOYSA-N 1 0 453.992 3.520 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001314391329 1070245823 /nfs/dbraw/zinc/24/58/23/1070245823.db2.gz QMFJYTWJJYYYDL-NZQKXSOJSA-N 1 0 458.626 3.789 20 0 JHADRO CCOCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001314390648 1070244659 /nfs/dbraw/zinc/24/46/59/1070244659.db2.gz MXZWEKYBPIJSFP-TZIWHRDSSA-N 1 0 476.666 3.525 20 0 JHADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccnc(N2CCSCC2)c1 ZINC001313092770 1070249005 /nfs/dbraw/zinc/24/90/05/1070249005.db2.gz CBTFNCVAKVLXBF-QHCPKHFHSA-N 1 0 453.656 3.688 20 0 JHADRO CN(CCOCC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1)C(=O)OC(C)(C)C ZINC001307940420 1070251610 /nfs/dbraw/zinc/25/16/10/1070251610.db2.gz GOKORPNCXWJQFH-UHFFFAOYSA-N 1 0 458.397 3.593 20 0 JHADRO O=C(CC[N@@H+](Cc1ccccc1F)CC1CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001307941556 1070252372 /nfs/dbraw/zinc/25/23/72/1070252372.db2.gz VRVXPRROJIDXGP-UHFFFAOYSA-N 1 0 459.587 3.851 20 0 JHADRO O=C(C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1)Nc1cc(-n2cnnn2)ccc1Cl ZINC001307949846 1070255480 /nfs/dbraw/zinc/25/54/80/1070255480.db2.gz MKLKCHJQQLXGBU-UHFFFAOYSA-N 1 0 450.852 3.942 20 0 JHADRO CCOC(=O)c1oc2ccc(Br)cc2c1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001307963085 1070260265 /nfs/dbraw/zinc/26/02/65/1070260265.db2.gz JSVOYXWPUMLILU-INIZCTEOSA-N 1 0 453.377 3.915 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001313132607 1070263117 /nfs/dbraw/zinc/26/31/17/1070263117.db2.gz JBGHZNXAKWNZSS-ZKMPZPQNSA-N 1 0 480.609 3.583 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001314402721 1070264761 /nfs/dbraw/zinc/26/47/61/1070264761.db2.gz APPRYZAXLXCSCQ-QHCPKHFHSA-N 1 0 471.646 3.589 20 0 JHADRO CCC(F)(F)C(C)(C)CNC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC001313144786 1070268477 /nfs/dbraw/zinc/26/84/77/1070268477.db2.gz BXDCCTBQVBLTLK-UHFFFAOYSA-N 1 0 452.590 3.728 20 0 JHADRO CCOCc1nnc(N2CCO[C@@](C)(CC)C2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001314403534 1070265696 /nfs/dbraw/zinc/26/56/96/1070265696.db2.gz VEAVVBLLYPUSEY-BWKNWUBXSA-N 1 0 457.619 3.666 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001314403921 1070267175 /nfs/dbraw/zinc/26/71/75/1070267175.db2.gz OKXUJWJAYZVEKV-TZIWHRDSSA-N 1 0 470.643 3.678 20 0 JHADRO CN(C)C[C@@H]([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC001307982692 1070269205 /nfs/dbraw/zinc/26/92/05/1070269205.db2.gz MLAOSXQNGQBMDM-OAQYLSRUSA-N 1 0 453.389 3.674 20 0 JHADRO O=C(CN[C@@H](CO)c1cccc(C(F)(F)F)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001308003700 1070275566 /nfs/dbraw/zinc/27/55/66/1070275566.db2.gz UOBCWLAICSVCHS-FQEVSTJZSA-N 1 0 453.530 3.516 20 0 JHADRO COC(=O)c1c(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)sc2c1CCC2 ZINC001308000626 1070275606 /nfs/dbraw/zinc/27/56/06/1070275606.db2.gz VJVNFUVLUKGBRW-BEFAXECRSA-N 1 0 452.935 3.874 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001314410313 1070276026 /nfs/dbraw/zinc/27/60/26/1070276026.db2.gz YJNFAJKPTHVPJD-KNQAVFIVSA-N 1 0 478.037 3.547 20 0 JHADRO C[C@@H](NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313168964 1070278212 /nfs/dbraw/zinc/27/82/12/1070278212.db2.gz VSGVIBVQQOFQQH-NFBKMPQASA-N 1 0 458.647 3.980 20 0 JHADRO Cc1ccc(CN2CCO[C@H](CNC(=O)NCCc3sccc3Br)C2)cc1 ZINC001313170314 1070278954 /nfs/dbraw/zinc/27/89/54/1070278954.db2.gz XRKKFGVYYGQQJU-QGZVFWFLSA-N 1 0 452.418 3.562 20 0 JHADRO CCCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001308022993 1070284040 /nfs/dbraw/zinc/28/40/40/1070284040.db2.gz UKMXXTHAEXIAFJ-GGAORHGYSA-N 1 0 459.631 3.951 20 0 JHADRO CN(Cc1nnnn1-c1ccccc1Br)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001308027156 1070284768 /nfs/dbraw/zinc/28/47/68/1070284768.db2.gz FHYUIGJLPQCCHO-LJQANCHMSA-N 1 0 455.404 3.911 20 0 JHADRO 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CCN(CCC[NH+](CC)CC)C(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC001313222183 1070297662 /nfs/dbraw/zinc/29/76/62/1070297662.db2.gz ARGQIOQCQLBLRB-UHFFFAOYSA-N 1 0 453.653 3.700 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001314422009 1070295628 /nfs/dbraw/zinc/29/56/28/1070295628.db2.gz VXXVRFIENCCLCS-UXHICEINSA-N 1 0 462.038 3.698 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001314423877 1070299807 /nfs/dbraw/zinc/29/98/07/1070299807.db2.gz QNVNIYLANHTUNP-ZJSXRUAMSA-N 1 0 455.647 3.923 20 0 JHADRO Cc1csc(C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C(=O)NCc3ccco3)C2)n1 ZINC001308104866 1070312324 /nfs/dbraw/zinc/31/23/24/1070312324.db2.gz HUESOCLVWGVJPZ-ZWKOTPCHSA-N 1 0 452.580 3.866 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)CN1CCc2cc(Cl)cc(Br)c2C1)c1ccccc1 ZINC001308103498 1070312472 /nfs/dbraw/zinc/31/24/72/1070312472.db2.gz IHPRHUZZVMMOGW-HXUWFJFHSA-N 1 0 450.808 3.880 20 0 JHADRO 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CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@H](NC(=O)NCC[NH+]1CCCCC1)c1ccccc1O2 ZINC001313386048 1070344371 /nfs/dbraw/zinc/34/43/71/1070344371.db2.gz WPLZAUQSMXOKFA-NBGIEHNGSA-N 1 0 458.603 3.675 20 0 JHADRO COc1cc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)cc(Cl)c1OCC(N)=O ZINC001308244329 1070344897 /nfs/dbraw/zinc/34/48/97/1070344897.db2.gz LQYPYKFEJSTIGX-UHFFFAOYSA-N 1 0 453.366 3.704 20 0 JHADRO CCc1cc(N2CCC[C@H]([NH2+]Cc3c(F)ccc(I)c3F)C2)ncn1 ZINC001308249732 1070345398 /nfs/dbraw/zinc/34/53/98/1070345398.db2.gz KKDJQAOXJUCXMD-ZDUSSCGKSA-N 1 0 458.294 3.680 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CCNC(=O)c1ccccc1C(F)(F)F)CC(F)(F)F ZINC001308250801 1070346222 /nfs/dbraw/zinc/34/62/22/1070346222.db2.gz ZIEUOMAXYPUWBM-GFCCVEGCSA-N 1 0 457.415 3.871 20 0 JHADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC001313401151 1070348584 /nfs/dbraw/zinc/34/85/84/1070348584.db2.gz PKWZPDKUJBHRER-FQEVSTJZSA-N 1 0 451.453 3.959 20 0 JHADRO COCO[C@H](C)c1cc(F)c(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC001308278066 1070350560 /nfs/dbraw/zinc/35/05/60/1070350560.db2.gz XMVAZGXJTPEKPM-CVEARBPZSA-N 1 0 459.400 3.860 20 0 JHADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC001308283165 1070352518 /nfs/dbraw/zinc/35/25/18/1070352518.db2.gz SOUURWSYTDEAJE-TZIWHRDSSA-N 1 0 455.400 3.812 20 0 JHADRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC001308299041 1070353530 /nfs/dbraw/zinc/35/35/30/1070353530.db2.gz BXFUKBMURBFODX-CZUORRHYSA-N 1 0 453.381 3.947 20 0 JHADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]CCCN3C(=O)COc4ccccc43)cc2C1 ZINC001308296491 1070353774 /nfs/dbraw/zinc/35/37/74/1070353774.db2.gz XXECHPWGMZQWHY-UHFFFAOYSA-N 1 0 457.596 3.947 20 0 JHADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC001308328166 1070356949 /nfs/dbraw/zinc/35/69/49/1070356949.db2.gz DDZWIXVGORFDIX-INIZCTEOSA-N 1 0 453.004 3.767 20 0 JHADRO O=C(NCc1cc(C(F)F)on1)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001313429722 1070357194 /nfs/dbraw/zinc/35/71/94/1070357194.db2.gz GBBVKUWBMCMWAY-UHFFFAOYSA-N 1 0 453.921 3.762 20 0 JHADRO CN1C(=O)CCc2cc(C[NH2+]Cc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)ccc21 ZINC001308326773 1070357407 /nfs/dbraw/zinc/35/74/07/1070357407.db2.gz VJPSYSAYQBHKPK-UHFFFAOYSA-N 1 0 453.539 3.825 20 0 JHADRO Cc1ccc(C2(NC(=O)NC[C@H](C)N3CC[NH+](C)CC3)CCCCC2)c(Br)c1 ZINC001313429084 1070357475 /nfs/dbraw/zinc/35/74/75/1070357475.db2.gz XUVNGMPQMOXGGE-SFHVURJKSA-N 1 0 451.453 3.852 20 0 JHADRO COc1cc(C[NH2+]CC2([C@H](O)c3ccccc3)CC2)cc(I)c1OC ZINC001308342597 1070359092 /nfs/dbraw/zinc/35/90/92/1070359092.db2.gz PLKXVYNTYPUARI-LJQANCHMSA-N 1 0 453.320 3.912 20 0 JHADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccc(Br)nc2)c1 ZINC001308370469 1070363398 /nfs/dbraw/zinc/36/33/98/1070363398.db2.gz KTJMWEQXZUFEHG-UHFFFAOYSA-N 1 0 457.166 3.525 20 0 JHADRO CCOCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001314459782 1070364460 /nfs/dbraw/zinc/36/44/60/1070364460.db2.gz NIMFLXLFMWVKKO-UHFFFAOYSA-N 1 0 457.619 3.844 20 0 JHADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC001308356215 1070361157 /nfs/dbraw/zinc/36/11/57/1070361157.db2.gz IEDQCPDLAGOXRU-CKFHNAJUSA-N 1 0 453.352 3.703 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]CCCNC(=O)/C=C/c1ccccc1)CCO2 ZINC001308382178 1070364757 /nfs/dbraw/zinc/36/47/57/1070364757.db2.gz WRMYCZMQFIGQIB-NEQMZLFVSA-N 1 0 457.615 3.744 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001313447357 1070366240 /nfs/dbraw/zinc/36/62/40/1070366240.db2.gz IZPXDONLCQITDU-NJYVYQBISA-N 1 0 486.636 3.927 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001313447254 1070366535 /nfs/dbraw/zinc/36/65/35/1070366535.db2.gz IZPXDONLCQITDU-HKBOAZHASA-N 1 0 486.636 3.927 20 0 JHADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001308393635 1070367396 /nfs/dbraw/zinc/36/73/96/1070367396.db2.gz ZQLUNHRDNXGQJU-HXUWFJFHSA-N 1 0 457.373 3.537 20 0 JHADRO CCOCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001314462153 1070369673 /nfs/dbraw/zinc/36/96/73/1070369673.db2.gz XFMONIANQATPCX-FDFHNCONSA-N 1 0 490.693 3.788 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(C)(C)C ZINC001313448049 1070369758 /nfs/dbraw/zinc/36/97/58/1070369758.db2.gz ONLXDTRGJUPJTQ-FQEVSTJZSA-N 1 0 476.691 3.552 20 0 JHADRO CCCN1CCCN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2CCC(C)CC2)CC1=O ZINC001313447856 1070369198 /nfs/dbraw/zinc/36/91/98/1070369198.db2.gz XASJSRPFPWWDEU-UHFFFAOYSA-N 1 0 482.673 3.736 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001313448523 1070371121 /nfs/dbraw/zinc/37/11/21/1070371121.db2.gz BBOFPLNLAYJMQD-OALUTQOASA-N 1 0 475.435 3.503 20 0 JHADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC001308404558 1070371179 /nfs/dbraw/zinc/37/11/79/1070371179.db2.gz INFFOVNSVKQXJA-CQSZACIVSA-N 1 0 453.343 3.615 20 0 JHADRO CCOc1c(OC)cc(C[NH2+]Cc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1OC ZINC001308404990 1070371260 /nfs/dbraw/zinc/37/12/60/1070371260.db2.gz KTXVNTNBZRVTOH-RUZDIDTESA-N 1 0 453.539 3.617 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001313448665 1070372573 /nfs/dbraw/zinc/37/25/73/1070372573.db2.gz SRNSXPZCOFQEAP-FFZOFVMBSA-N 1 0 496.425 3.571 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NCc3cn4ccc(Br)cc4n3)CC2)cc1 ZINC001308410755 1070372589 /nfs/dbraw/zinc/37/25/89/1070372589.db2.gz GQPGZSDKLMNZQV-UHFFFAOYSA-N 1 0 456.388 3.809 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCCOC1 ZINC001313449024 1070373360 /nfs/dbraw/zinc/37/33/60/1070373360.db2.gz ULWFHNDFPOKXAZ-AEFFLSMTSA-N 1 0 465.440 3.773 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001313449564 1070374388 /nfs/dbraw/zinc/37/43/88/1070374388.db2.gz XVAKNKYRFOXEOD-WWMYMODYSA-N 1 0 492.462 3.798 20 0 JHADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1)CC(F)(F)F ZINC001308463796 1070378843 /nfs/dbraw/zinc/37/88/43/1070378843.db2.gz COHXJPZIEKALLP-DOTOQJQBSA-N 1 0 451.917 3.981 20 0 JHADRO COc1cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)ccc1OCC(F)(F)F ZINC001308464904 1070378987 /nfs/dbraw/zinc/37/89/87/1070378987.db2.gz ZACCIOWBYSIENJ-IERDGZPVSA-N 1 0 468.520 3.848 20 0 JHADRO CCOCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314471798 1070382444 /nfs/dbraw/zinc/38/24/44/1070382444.db2.gz CJFVDZGWWDGGNR-UWHLTILDSA-N 1 0 465.683 3.557 20 0 JHADRO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cc(Cl)cc(Cl)c3OCCN3CCOCC3)O2)CO1 ZINC001308525441 1070385371 /nfs/dbraw/zinc/38/53/71/1070385371.db2.gz JVJJQRCQTDIVNS-PERKRYKHSA-N 1 0 459.414 3.521 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCSC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313452832 1070384054 /nfs/dbraw/zinc/38/40/54/1070384054.db2.gz MYYXDKMHVSIGJG-CVDCTZTESA-N 1 0 451.681 3.525 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCN(c3c(F)cccc3OC)CC2)nnc1C(C)(C)C ZINC001313452826 1070384154 /nfs/dbraw/zinc/38/41/54/1070384154.db2.gz MNTUXJRMAAIKDK-IBGZPJMESA-N 1 0 458.626 3.924 20 0 JHADRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)c1 ZINC001308514478 1070384304 /nfs/dbraw/zinc/38/43/04/1070384304.db2.gz VQRHFSRLMMQJOF-RNODOKPDSA-N 1 0 452.345 3.839 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001313454804 1070390094 /nfs/dbraw/zinc/39/00/94/1070390094.db2.gz AEPHPGXBGHMYQX-RTBURBONSA-N 1 0 465.646 3.888 20 0 JHADRO CCOCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001314480601 1070392823 /nfs/dbraw/zinc/39/28/23/1070392823.db2.gz VYUGJKZCGSEDPR-OAQYLSRUSA-N 1 0 488.652 3.589 20 0 JHADRO CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314486275 1070397995 /nfs/dbraw/zinc/39/79/95/1070397995.db2.gz LJUSCGQEUBAELT-UHFFFAOYSA-N 1 0 478.682 3.740 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001313457316 1070398747 /nfs/dbraw/zinc/39/87/47/1070398747.db2.gz CKIUXMZLAMNSLU-IRLDBZIGSA-N 1 0 498.672 3.579 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001313457315 1070398821 /nfs/dbraw/zinc/39/88/21/1070398821.db2.gz CKIUXMZLAMNSLU-IFMALSPDSA-N 1 0 498.672 3.579 20 0 JHADRO Cc1cc(Br)cn2c(CN3CCN(CC[N@@H+](C)Cc4ccccc4)CC3)cnc12 ZINC001308616596 1070402155 /nfs/dbraw/zinc/40/21/55/1070402155.db2.gz YABJKGUPSCVICZ-UHFFFAOYSA-N 1 0 456.432 3.655 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](OC)[C@@H](C)CC)c2ccccc2c1=O ZINC001313459075 1070405174 /nfs/dbraw/zinc/40/51/74/1070405174.db2.gz JDFAGUMTKMQBED-NZQKXSOJSA-N 1 0 495.672 3.657 20 0 JHADRO CCOCCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001314494142 1070410004 /nfs/dbraw/zinc/41/00/04/1070410004.db2.gz NPFFKMSWXKBKNV-QHCPKHFHSA-N 1 0 456.679 3.599 20 0 JHADRO CCCn1nc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313460287 1070410082 /nfs/dbraw/zinc/41/00/82/1070410082.db2.gz NEZLCBPLVULTCO-RBUKOAKNSA-N 1 0 483.686 3.737 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCC3)nc2)C[C@@H]1CC ZINC001314494561 1070411090 /nfs/dbraw/zinc/41/10/90/1070411090.db2.gz SMIKUTQJWKBZGM-QHCPKHFHSA-N 1 0 483.705 3.946 20 0 JHADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001308656561 1070411638 /nfs/dbraw/zinc/41/16/38/1070411638.db2.gz KOHBUPGLRZTLGL-QGZVFWFLSA-N 1 0 459.612 3.820 20 0 JHADRO CCOCCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC001314492968 1070406921 /nfs/dbraw/zinc/40/69/21/1070406921.db2.gz CGXLYGRGMMJOOZ-UHFFFAOYSA-N 1 0 468.690 3.768 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C2OCCO2)C[C@H]1CC ZINC001314493345 1070407682 /nfs/dbraw/zinc/40/76/82/1070407682.db2.gz HMQLYOMBUUCNBV-OAQYLSRUSA-N 1 0 471.646 3.606 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001313460894 1070412891 /nfs/dbraw/zinc/41/28/91/1070412891.db2.gz PVMDARKQPCYDEF-HXUWFJFHSA-N 1 0 457.022 3.603 20 0 JHADRO COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H]3CCCC[C@@H]3c3cc(F)c(F)c(F)c3)C2)cc1 ZINC001308671154 1070415026 /nfs/dbraw/zinc/41/50/26/1070415026.db2.gz VUESACBXDGZAJV-WIYYLYMNSA-N 1 0 454.514 3.801 20 0 JHADRO COc1ccc(S(=O)(=O)N2CC([NH2+][C@H]3CCCC[C@H]3c3cc(F)c(F)c(F)c3)C2)cc1 ZINC001308671153 1070415084 /nfs/dbraw/zinc/41/50/84/1070415084.db2.gz VUESACBXDGZAJV-RXVVDRJESA-N 1 0 454.514 3.801 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(C)(C)O)c2)C[C@@H]1CC ZINC001314495804 1070415502 /nfs/dbraw/zinc/41/55/02/1070415502.db2.gz KEZWNMMYYSWDHW-QHCPKHFHSA-N 1 0 478.641 3.553 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(OC)CCC(C)CC2)C[C@@H]1CC ZINC001314496557 1070417840 /nfs/dbraw/zinc/41/78/40/1070417840.db2.gz TVHHMEXGRMPRRI-JQJXBVGUSA-N 1 0 458.651 3.806 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)nn1 ZINC001308685657 1070418404 /nfs/dbraw/zinc/41/84/04/1070418404.db2.gz LDJIODRUXIQGML-CQSZACIVSA-N 1 0 451.365 3.527 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001313462659 1070422465 /nfs/dbraw/zinc/42/24/65/1070422465.db2.gz ZVVGNOUOSQUANW-NZQKXSOJSA-N 1 0 466.674 3.633 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C)nc2)C[C@@H]1CC ZINC001314498773 1070425599 /nfs/dbraw/zinc/42/55/99/1070425599.db2.gz GXDQGKVVFFDRGD-QHCPKHFHSA-N 1 0 466.605 3.697 20 0 JHADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC001308732712 1070427603 /nfs/dbraw/zinc/42/76/03/1070427603.db2.gz TYWJYVJHNHKFTN-IEBWSBKVSA-N 1 0 457.434 3.541 20 0 JHADRO Cc1c(F)nccc1CN(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC001308746036 1070429246 /nfs/dbraw/zinc/42/92/46/1070429246.db2.gz LEKNNRRQJJVKMC-UHFFFAOYSA-N 1 0 453.375 3.680 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)C1 ZINC001308762391 1070432758 /nfs/dbraw/zinc/43/27/58/1070432758.db2.gz OLNPOYUULXALSA-LOSJGSFVSA-N 1 0 456.587 3.648 20 0 JHADRO C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CCO1 ZINC001308766215 1070434366 /nfs/dbraw/zinc/43/43/66/1070434366.db2.gz QUUVDFUBWSMADV-WMZOPIPTSA-N 1 0 451.380 3.754 20 0 JHADRO OC[C@H](C[NH2+]Cc1cc(Br)cnc1F)Cc1cc(Br)ccc1F ZINC001308770772 1070435069 /nfs/dbraw/zinc/43/50/69/1070435069.db2.gz VPAZLAQQNVKHGL-JTQLQIEISA-N 1 0 450.121 3.826 20 0 JHADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2nc3ccc(Cl)cc3n2C)cc1Br ZINC001308769857 1070435094 /nfs/dbraw/zinc/43/50/94/1070435094.db2.gz KAZXESWICRLJEV-AWEZNQCLSA-N 1 0 452.780 3.939 20 0 JHADRO Cn1cc([C@H]2C[N@H+](Cc3cc(C(C)(C)NC(=O)OC(C)(C)C)no3)CC23CCOCC3)cn1 ZINC001308774716 1070435778 /nfs/dbraw/zinc/43/57/78/1070435778.db2.gz UHKYXEYEKPIPBZ-LJQANCHMSA-N 1 0 459.591 3.564 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001313465951 1070435875 /nfs/dbraw/zinc/43/58/75/1070435875.db2.gz QOTWHEWLSCSLAR-DNVJHFABSA-N 1 0 474.694 3.569 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccn3C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001313466122 1070437099 /nfs/dbraw/zinc/43/70/99/1070437099.db2.gz KFOKZGKCRMPFSJ-BDTNDASRSA-N 1 0 483.705 3.783 20 0 JHADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC001308796408 1070438716 /nfs/dbraw/zinc/43/87/16/1070438716.db2.gz QKMIIEGHGYLQJJ-LJQANCHMSA-N 1 0 458.603 3.942 20 0 JHADRO C[NH+](C)Cc1ccc(CN2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c2c1OC(F)(F)O2 ZINC001308793064 1070438865 /nfs/dbraw/zinc/43/88/65/1070438865.db2.gz NHGDDOLYMZQISI-MAUKXSAKSA-N 1 0 453.530 3.901 20 0 JHADRO CCOc1cc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)ccc1OCc1ccc(C(=O)OC)o1 ZINC001308797815 1070439701 /nfs/dbraw/zinc/43/97/01/1070439701.db2.gz JMADSNVYIBLMEX-DVECYGJZSA-N 1 0 453.491 3.628 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2CC[N@H+](C)[C@H](C)CC)C1 ZINC001313466828 1070440579 /nfs/dbraw/zinc/44/05/79/1070440579.db2.gz NJIRPZRZUTVVAU-IRLDBZIGSA-N 1 0 477.657 3.966 20 0 JHADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(F)ccc1Oc1ccc(Br)cc1 ZINC001308832581 1070444041 /nfs/dbraw/zinc/44/40/41/1070444041.db2.gz AGQKHEQKPRHPIA-OAHLLOKOSA-N 1 0 450.352 3.932 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001313469617 1070453752 /nfs/dbraw/zinc/45/37/52/1070453752.db2.gz VHZCENHRWBFBBE-UHFFFAOYSA-N 1 0 467.662 3.752 20 0 JHADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC001308886565 1070455112 /nfs/dbraw/zinc/45/51/12/1070455112.db2.gz KZGDVGJCLCHZFL-HZPDHXFCSA-N 1 0 455.340 3.951 20 0 JHADRO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]CC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001308899467 1070456491 /nfs/dbraw/zinc/45/64/91/1070456491.db2.gz IVLHJPMCSUSJLS-IBGZPJMESA-N 1 0 458.603 3.991 20 0 JHADRO 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CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001313471137 1070460301 /nfs/dbraw/zinc/46/03/01/1070460301.db2.gz CBPDIHLLIQALBV-LJQANCHMSA-N 1 0 488.080 3.857 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CCCCc2ccccc21 ZINC001308961510 1070467085 /nfs/dbraw/zinc/46/70/85/1070467085.db2.gz WHEXBQQFZPBERZ-MQSCRBSSSA-N 1 0 457.615 3.750 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001313472415 1070466490 /nfs/dbraw/zinc/46/64/90/1070466490.db2.gz ZKCVIRMOLWZLEI-NRFANRHFSA-N 1 0 452.647 3.728 20 0 JHADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001308934499 1070462010 /nfs/dbraw/zinc/46/20/10/1070462010.db2.gz CMTSUMISSGEPFE-ICSRJNTNSA-N 1 0 454.656 3.601 20 0 JHADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](Cc1cnn(Cc3ccccc3)c1Cl)C2 ZINC001308941261 1070463059 /nfs/dbraw/zinc/46/30/59/1070463059.db2.gz PNPDGOCLEDDGHE-OHUGHZGNSA-N 1 0 489.016 3.863 20 0 JHADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC001308943576 1070463629 /nfs/dbraw/zinc/46/36/29/1070463629.db2.gz OOEBFTMLCGBDQN-PNPIFTBSSA-N 1 0 470.520 3.592 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001313472782 1070467860 /nfs/dbraw/zinc/46/78/60/1070467860.db2.gz RNZHZLMANXEBPI-FQEVSTJZSA-N 1 0 472.703 3.793 20 0 JHADRO CCn1c(C[NH2+][C@H](CC(=O)OC)Cc2ccccc2)nc(Br)c1Br ZINC001308969015 1070468652 /nfs/dbraw/zinc/46/86/52/1070468652.db2.gz NVBDQNANOUBTBU-ZDUSSCGKSA-N 1 0 459.182 3.692 20 0 JHADRO CCCNC(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313473160 1070469296 /nfs/dbraw/zinc/46/92/96/1070469296.db2.gz APQMPSCNBXRCBC-ONTIZHBOSA-N 1 0 470.662 3.870 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001314511527 1070470563 /nfs/dbraw/zinc/47/05/63/1070470563.db2.gz SPXIMJPZZPYRSF-UHFFFAOYSA-N 1 0 465.708 3.679 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001313474874 1070473895 /nfs/dbraw/zinc/47/38/95/1070473895.db2.gz MHWLKKUWRGRBBW-RTWAWAEBSA-N 1 0 484.664 3.871 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314515226 1070485392 /nfs/dbraw/zinc/48/53/92/1070485392.db2.gz FHPDINHXSDDENM-LEWJYISDSA-N 1 0 498.697 3.873 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[NH+]2CCCC2)CC1 ZINC001313478547 1070488539 /nfs/dbraw/zinc/48/85/39/1070488539.db2.gz ZXRVOKGAGWZUQD-UHFFFAOYSA-N 1 0 470.687 3.717 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001314515982 1070488899 /nfs/dbraw/zinc/48/88/99/1070488899.db2.gz IBKNFHHIUUEQMW-QZTJIDSGSA-N 1 0 468.067 3.590 20 0 JHADRO COc1ccc(Br)c(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1F ZINC001309028570 1070494277 /nfs/dbraw/zinc/49/42/77/1070494277.db2.gz IYNNXRAPKAPDGL-UHFFFAOYSA-N 1 0 457.365 3.540 20 0 JHADRO 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CC[S@@](=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001314573981 1070580778 /nfs/dbraw/zinc/58/07/78/1070580778.db2.gz YIZUBKOUCXVAII-SSEXGKCCSA-N 1 0 498.466 3.680 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001313523169 1070593997 /nfs/dbraw/zinc/59/39/97/1070593997.db2.gz NCEQWGREYZRJHH-RTWAWAEBSA-N 1 0 488.702 3.930 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[NH+]2CCSCC2)CC1 ZINC001313525932 1070599429 /nfs/dbraw/zinc/59/94/29/1070599429.db2.gz HCKMDSUNTLNPDW-HXUWFJFHSA-N 1 0 459.660 3.788 20 0 JHADRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001309192620 1070595798 /nfs/dbraw/zinc/59/57/98/1070595798.db2.gz FMHXSPRXLYKRCW-GOSISDBHSA-N 1 0 451.633 3.531 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001313526045 1070600058 /nfs/dbraw/zinc/60/00/58/1070600058.db2.gz HKYPNXQWCBIIDI-HSZRJFAPSA-N 1 0 455.647 3.886 20 0 JHADRO 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COC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1Cl ZINC001309217034 1070615047 /nfs/dbraw/zinc/61/50/47/1070615047.db2.gz BWATXXKRURXFAR-ACJLOTCBSA-N 1 0 458.005 3.941 20 0 JHADRO CCSc1cc(Cn2c(N3CCC[N@H+](Cc4cnn(C)c4)CC3)nnc2C(C)(C)C)ccn1 ZINC001314589858 1070616933 /nfs/dbraw/zinc/61/69/33/1070616933.db2.gz UKWARRAGZBCWTM-UHFFFAOYSA-N 1 0 468.675 3.577 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001314590426 1070619205 /nfs/dbraw/zinc/61/92/05/1070619205.db2.gz XVBGPLNSWJYEOW-AQNXPRMDSA-N 1 0 474.675 3.957 20 0 JHADRO CCCS(=O)(=O)NC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001313533300 1070620846 /nfs/dbraw/zinc/62/08/46/1070620846.db2.gz VSYUZILAQCAVQE-JOCHJYFZSA-N 1 0 494.750 3.671 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314592234 1070624723 /nfs/dbraw/zinc/62/47/23/1070624723.db2.gz CTHALAAYDRMYNJ-CIAFKFPVSA-N 1 0 465.708 3.639 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314593310 1070627549 /nfs/dbraw/zinc/62/75/49/1070627549.db2.gz GODYFXLCSSAOEF-HGJUEJDCSA-N 1 0 465.708 3.780 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001314593311 1070628144 /nfs/dbraw/zinc/62/81/44/1070628144.db2.gz GODYFXLCSSAOEF-JRSUCEMESA-N 1 0 465.708 3.780 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C)n3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001314595001 1070634176 /nfs/dbraw/zinc/63/41/76/1070634176.db2.gz HPRHAXINQGNFKG-SESVDKBCSA-N 1 0 458.676 3.727 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(Cc3ccccn3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001314595202 1070634985 /nfs/dbraw/zinc/63/49/85/1070634985.db2.gz LYCUBGAZRKGZAB-AKIFATBCSA-N 1 0 472.703 3.875 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(-c3cnccn3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC001314596762 1070639125 /nfs/dbraw/zinc/63/91/25/1070639125.db2.gz QRGYOKQEGZFEKI-JTHBVZDNSA-N 1 0 487.718 3.984 20 0 JHADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC001309246910 1070641691 /nfs/dbraw/zinc/64/16/91/1070641691.db2.gz NZPILOQRCAZZDX-NRFANRHFSA-N 1 0 456.587 3.853 20 0 JHADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2csc(N(C)C)n2)cc1 ZINC001309256935 1070649658 /nfs/dbraw/zinc/64/96/58/1070649658.db2.gz DPGSCOHHBMFMKZ-XZOQPEGZSA-N 1 0 470.664 3.605 20 0 JHADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC001309260814 1070652308 /nfs/dbraw/zinc/65/23/08/1070652308.db2.gz GLWIJOUHIZQICK-UHFFFAOYSA-N 1 0 451.402 3.633 20 0 JHADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(Br)cc(F)cc1Br ZINC001309262713 1070653999 /nfs/dbraw/zinc/65/39/99/1070653999.db2.gz PXZMBMAEVSJQMO-NSHDSACASA-N 1 0 458.191 3.503 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001314603948 1070659275 /nfs/dbraw/zinc/65/92/75/1070659275.db2.gz OBKNIHDIYREQLA-BDTNDASRSA-N 1 0 464.724 3.658 20 0 JHADRO CCSCC[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314605635 1070662665 /nfs/dbraw/zinc/66/26/65/1070662665.db2.gz BQHKAESUJRRHMZ-KKSFZXQISA-N 1 0 482.492 3.742 20 0 JHADRO COCCC1(CNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CCC1 ZINC001309282685 1070667685 /nfs/dbraw/zinc/66/76/85/1070667685.db2.gz NRDYOHHPPZNYSF-BJKOFHAPSA-N 1 0 460.615 3.920 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313550363 1070668342 /nfs/dbraw/zinc/66/83/42/1070668342.db2.gz KPOKUBAWHITNDH-UHFFFAOYSA-N 1 0 486.661 3.530 20 0 JHADRO CCN(C)C(=O)Cn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001313557483 1070674483 /nfs/dbraw/zinc/67/44/83/1070674483.db2.gz HCBQBYMIJMESFG-UHFFFAOYSA-N 1 0 452.647 3.537 20 0 JHADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC001309309418 1070689078 /nfs/dbraw/zinc/68/90/78/1070689078.db2.gz JRRSEFAMLUARFB-CYBMUJFWSA-N 1 0 459.793 3.929 20 0 JHADRO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC001313580695 1070700298 /nfs/dbraw/zinc/70/02/98/1070700298.db2.gz AVXKFMZBWYNWQY-OALUTQOASA-N 1 0 475.707 3.902 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(N3CC[C@H](C)[C@@H](OC)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001313575838 1070691099 /nfs/dbraw/zinc/69/10/99/1070691099.db2.gz SXDQHVZYIIQIAG-DDZLNHKNSA-N 1 0 485.673 3.680 20 0 JHADRO CCSCCCn1c(Cc2ccccc2OC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001314621133 1070700323 /nfs/dbraw/zinc/70/03/23/1070700323.db2.gz LUBZGYAODRIMKI-FQEVSTJZSA-N 1 0 473.687 3.710 20 0 JHADRO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC001313580697 1070700424 /nfs/dbraw/zinc/70/04/24/1070700424.db2.gz AVXKFMZBWYNWQY-RTBURBONSA-N 1 0 475.707 3.902 20 0 JHADRO CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCSC1)C(C)C ZINC001313577007 1070694162 /nfs/dbraw/zinc/69/41/62/1070694162.db2.gz JHAXOVVFZKZDHC-JOCHJYFZSA-N 1 0 465.067 3.534 20 0 JHADRO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)C[NH+]1CCCC1)C1CCCC1 ZINC001313582477 1070703402 /nfs/dbraw/zinc/70/34/02/1070703402.db2.gz PRNHFPDCGVMMCC-FQEVSTJZSA-N 1 0 488.702 3.696 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314623216 1070704992 /nfs/dbraw/zinc/70/49/92/1070704992.db2.gz CXIHIZJSGFDEHA-LEWJYISDSA-N 1 0 490.693 3.740 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314623511 1070705036 /nfs/dbraw/zinc/70/50/36/1070705036.db2.gz DVNCMZCRXZHOGU-FQEVSTJZSA-N 1 0 485.677 3.994 20 0 JHADRO COC(=O)c1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c(F)c1 ZINC001309334840 1070706554 /nfs/dbraw/zinc/70/65/54/1070706554.db2.gz OLIPPTJMCYTVOT-UHFFFAOYSA-N 1 0 454.951 3.552 20 0 JHADRO CCN(c1nnc(-c2cccc(Cl)c2)n1CCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001313583672 1070706717 /nfs/dbraw/zinc/70/67/17/1070706717.db2.gz INBVLBDHCDXISY-GHTZIAJQSA-N 1 0 480.078 3.876 20 0 JHADRO Cc1cnc(Cl)c(S(=O)(=O)NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)c1 ZINC001309355691 1070718275 /nfs/dbraw/zinc/71/82/75/1070718275.db2.gz JCIAKYDXYGWKLO-QZTJIDSGSA-N 1 0 452.020 3.531 20 0 JHADRO Cc1cnc(Cl)c(S(=O)(=O)NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)c1 ZINC001309355690 1070718548 /nfs/dbraw/zinc/71/85/48/1070718548.db2.gz JCIAKYDXYGWKLO-HDICACEKSA-N 1 0 452.020 3.531 20 0 JHADRO CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+](C)Cc1ccccc1)C(C)C ZINC001313596760 1070722149 /nfs/dbraw/zinc/72/21/49/1070722149.db2.gz RKEZDALGZAMKTA-UHFFFAOYSA-N 1 0 469.659 3.605 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N2CC[C@H](c3cccc(F)c3)C2)nnc1C(C)(C)C ZINC001314627940 1070722338 /nfs/dbraw/zinc/72/23/38/1070722338.db2.gz FLUVTQCGEWDNHP-UNMCSNQZSA-N 1 0 470.637 3.651 20 0 JHADRO CCN(c1nnc(C2CCCC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001313599521 1070724213 /nfs/dbraw/zinc/72/42/13/1070724213.db2.gz LTKRMYJWFRIVFB-NFBKMPQASA-N 1 0 473.687 3.860 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nccs1 ZINC001314629480 1070727422 /nfs/dbraw/zinc/72/74/22/1070727422.db2.gz QARRDQBEACCLRV-IBGZPJMESA-N 1 0 488.061 3.634 20 0 JHADRO CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1([NH+](C)C)CCOCC1)C(C)C ZINC001313605810 1070729682 /nfs/dbraw/zinc/72/96/82/1070729682.db2.gz SQAPIXXSQPCMGM-UHFFFAOYSA-N 1 0 478.682 3.738 20 0 JHADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC(C)(C)[C@@H](O)C(C)C)cc1 ZINC001309372571 1070731046 /nfs/dbraw/zinc/73/10/46/1070731046.db2.gz CZCVFHJNGKQCLT-GVAUOCQISA-N 1 0 458.668 3.926 20 0 JHADRO CN(C)C(=O)CCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001314632473 1070735392 /nfs/dbraw/zinc/73/53/92/1070735392.db2.gz SCFHTPCTUIGUTH-MRXNPFEDSA-N 1 0 495.491 3.702 20 0 JHADRO CN(C)C(=O)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001314632677 1070735993 /nfs/dbraw/zinc/73/59/93/1070735993.db2.gz ZNPDMAWGYUQVCU-QFIPXVFZSA-N 1 0 452.647 3.786 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)C1CC1 ZINC001314648386 1070752368 /nfs/dbraw/zinc/75/23/68/1070752368.db2.gz JGOVPJBSGYNYGK-DYESRHJHSA-N 1 0 486.970 3.863 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1)c1cccs1 ZINC001314648700 1070753163 /nfs/dbraw/zinc/75/31/63/1070753163.db2.gz NMTZZAMAQBSYQS-GOSISDBHSA-N 1 0 459.019 3.665 20 0 JHADRO Cn1cc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cn1 ZINC001314649012 1070753671 /nfs/dbraw/zinc/75/36/71/1070753671.db2.gz KMHHKMMJIUHYRD-MOPGFXCFSA-N 1 0 457.648 3.827 20 0 JHADRO CN(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1c(F)cccc1F ZINC001314649408 1070755456 /nfs/dbraw/zinc/75/54/56/1070755456.db2.gz BADMIGHZZBHGFW-GHTZIAJQSA-N 1 0 476.616 3.674 20 0 JHADRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(Cl)c1 ZINC001309433136 1070766559 /nfs/dbraw/zinc/76/65/59/1070766559.db2.gz JGFMTZWNDYWTHG-FQEVSTJZSA-N 1 0 450.988 3.706 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314652049 1070762352 /nfs/dbraw/zinc/76/23/52/1070762352.db2.gz CCTRDTJBVWWHJZ-FGZHOGPDSA-N 1 0 486.636 3.626 20 0 JHADRO CCN(CC(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001313632627 1070763290 /nfs/dbraw/zinc/76/32/90/1070763290.db2.gz ZZCIISJSRLTYAM-JOCHJYFZSA-N 1 0 461.676 3.551 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001314652887 1070764851 /nfs/dbraw/zinc/76/48/51/1070764851.db2.gz JIOIWMQCFOSJRY-GBESFXJTSA-N 1 0 490.674 3.940 20 0 JHADRO CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCOC1 ZINC001314653289 1070765319 /nfs/dbraw/zinc/76/53/19/1070765319.db2.gz LWSSMQBNNCOREJ-SLFFLAALSA-N 1 0 490.674 3.940 20 0 JHADRO CCN(CC(C)C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001313634135 1070765397 /nfs/dbraw/zinc/76/53/97/1070765397.db2.gz MZZYTZPOKITKIN-BDTNDASRSA-N 1 0 492.709 3.888 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCCC2)CCSC1 ZINC001314653163 1070765507 /nfs/dbraw/zinc/76/55/07/1070765507.db2.gz KYTDBRAPWGBXEE-IBGZPJMESA-N 1 0 454.413 3.884 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@H](CC(N)=O)C2)CCC1 ZINC001314653215 1070765539 /nfs/dbraw/zinc/76/55/39/1070765539.db2.gz LXXWCJDCGGKLBF-OAHLLOKOSA-N 1 0 465.429 3.828 20 0 JHADRO C[NH+](C)[C@H](Cn1c(N2CCN(C3=NCC(C)(C)S3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001314653990 1070767755 /nfs/dbraw/zinc/76/77/55/1070767755.db2.gz PMOFAAITQDEVGD-HXUWFJFHSA-N 1 0 469.703 3.882 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)C1CC1 ZINC001314654700 1070769656 /nfs/dbraw/zinc/76/96/56/1070769656.db2.gz LECNFRSEEAXMON-XUZZJYLKSA-N 1 0 495.590 3.770 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC001314655432 1070771613 /nfs/dbraw/zinc/77/16/13/1070771613.db2.gz KPODBKCMRCKETK-UNMCSNQZSA-N 1 0 473.065 3.735 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)c1ccc(F)cc1 ZINC001314655455 1070772020 /nfs/dbraw/zinc/77/20/20/1070772020.db2.gz LBXJMBJBQNBQOU-NRFANRHFSA-N 1 0 487.668 3.939 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1cccs1 ZINC001314656080 1070773924 /nfs/dbraw/zinc/77/39/24/1070773924.db2.gz OTZIAFADXHCOAH-PKOBYXMFSA-N 1 0 473.046 3.588 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001314656098 1070774460 /nfs/dbraw/zinc/77/44/60/1070774460.db2.gz PCEVEKNIHGUVFU-RPPIVITFSA-N 1 0 472.634 3.866 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)C1CC1 ZINC001314656511 1070775248 /nfs/dbraw/zinc/77/52/48/1070775248.db2.gz ZFYGLAADGCWXLI-OXQOHEQNSA-N 1 0 477.078 3.656 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001314657537 1070776808 /nfs/dbraw/zinc/77/68/08/1070776808.db2.gz YCFXKJHPUDNDFL-UHFFFAOYSA-N 1 0 454.541 3.563 20 0 JHADRO C[NH+](C)C1(Cn2c(CCCc3ccccc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCCC1 ZINC001314657950 1070777863 /nfs/dbraw/zinc/77/78/63/1070777863.db2.gz LPEIMMLPYLPGGF-UHFFFAOYSA-N 1 0 495.716 3.958 20 0 JHADRO C[NH+](C)C1(Cn2c(CC3CCCC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CCCCC1 ZINC001314657935 1070777917 /nfs/dbraw/zinc/77/79/17/1070777917.db2.gz KVRSKGVOPHVWEX-OAQYLSRUSA-N 1 0 465.708 3.679 20 0 JHADRO C[NH+](C)C1(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccco3)CC2)CCCCC1 ZINC001314659760 1070782758 /nfs/dbraw/zinc/78/27/58/1070782758.db2.gz PPZMKSBCCZVZFA-UHFFFAOYSA-N 1 0 456.635 3.687 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCS(=O)(=O)CC1 ZINC001314662376 1070789501 /nfs/dbraw/zinc/78/95/01/1070789501.db2.gz AQUJGMHIJRBXMA-UHFFFAOYSA-N 1 0 491.658 3.635 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(Cn2cccn2)CC1 ZINC001314663413 1070791667 /nfs/dbraw/zinc/79/16/67/1070791667.db2.gz VEDCDKOHVLUQQY-UHFFFAOYSA-N 1 0 489.466 3.737 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001314663341 1070791847 /nfs/dbraw/zinc/79/18/47/1070791847.db2.gz RQUMXTAJEVOKTL-RUZDIDTESA-N 1 0 491.702 3.578 20 0 JHADRO C[NH+](C)C1(Cn2c(CC(C)(C)C)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CCCC1 ZINC001314660997 1070785006 /nfs/dbraw/zinc/78/50/06/1070785006.db2.gz YNWTYAVEDPQTSA-UHFFFAOYSA-N 1 0 462.580 3.764 20 0 JHADRO C[NH+](C)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCCN(CC(F)(F)F)CC2)CCC1 ZINC001314661001 1070785084 /nfs/dbraw/zinc/78/50/84/1070785084.db2.gz YSDRNJCJHJRFPI-UHFFFAOYSA-N 1 0 486.533 3.706 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cnccn2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001313641716 1070787743 /nfs/dbraw/zinc/78/77/43/1070787743.db2.gz YXFSUHZVYFDFRW-PKTZIBPZSA-N 1 0 477.638 3.968 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001314665115 1070796632 /nfs/dbraw/zinc/79/66/32/1070796632.db2.gz BPRQIJVVOWRDDG-LJQANCHMSA-N 1 0 473.065 3.605 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001314667472 1070801549 /nfs/dbraw/zinc/80/15/49/1070801549.db2.gz IQJWLUIBFIFXHF-JOCHJYFZSA-N 1 0 483.661 3.898 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001314666902 1070800272 /nfs/dbraw/zinc/80/02/72/1070800272.db2.gz AWLBOSAPOVJUQG-NRFANRHFSA-N 1 0 479.629 3.734 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc(CN2CCCC2=O)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667815 1070802194 /nfs/dbraw/zinc/80/21/94/1070802194.db2.gz UVRQDDYXAKBEGX-UHFFFAOYSA-N 1 0 473.046 3.862 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(Cc3ccccc3F)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001314669733 1070809033 /nfs/dbraw/zinc/80/90/33/1070809033.db2.gz JNXSGBDAIHVRPZ-NRFANRHFSA-N 1 0 478.607 3.763 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C ZINC001314668304 1070804010 /nfs/dbraw/zinc/80/40/10/1070804010.db2.gz FAJPKKZVDKMGFE-UHFFFAOYSA-N 1 0 486.661 3.621 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1OCC[NH+](C)C ZINC001314668551 1070804938 /nfs/dbraw/zinc/80/49/38/1070804938.db2.gz KFZMTXODBPHLJJ-GGAORHGYSA-N 1 0 457.619 3.514 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314669077 1070806982 /nfs/dbraw/zinc/80/69/82/1070806982.db2.gz YAMUWMBFYZSHGS-PMACEKPBSA-N 1 0 478.682 3.596 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(Cc3ccsc3)nnc2N2CCSCC2)cc1 ZINC001314670106 1070810202 /nfs/dbraw/zinc/81/02/02/1070810202.db2.gz BYFYLHUEEMFICA-UHFFFAOYSA-N 1 0 457.669 3.667 20 0 JHADRO CN(Cc1cc(Br)cs1)c1nnc(CC(C)(C)C)n1CCOCC[NH+](C)C ZINC001314672304 1070817437 /nfs/dbraw/zinc/81/74/37/1070817437.db2.gz BMYJQWIHAMXEHT-UHFFFAOYSA-N 1 0 458.470 3.905 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(N3CC[C@H]4OCCC[C@@H]4C3)nnc2C(C)(C)C)cc1 ZINC001314671122 1070813176 /nfs/dbraw/zinc/81/31/76/1070813176.db2.gz KZDBJUQZGAVBJF-FYYLOGMGSA-N 1 0 455.647 3.764 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c(N3CC[C@@H]4OCCC[C@@H]4C3)nnc2C(C)(C)C)cc1 ZINC001314671124 1070813370 /nfs/dbraw/zinc/81/33/70/1070813370.db2.gz KZDBJUQZGAVBJF-GGAORHGYSA-N 1 0 455.647 3.764 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCSC(C)(C)C2)cc1 ZINC001314671020 1070813627 /nfs/dbraw/zinc/81/36/27/1070813627.db2.gz JDDVHFASIRYMRY-UHFFFAOYSA-N 1 0 452.628 3.661 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(C3CC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001314671323 1070814142 /nfs/dbraw/zinc/81/41/42/1070814142.db2.gz ULLBBYJQFLEMMO-UHFFFAOYSA-N 1 0 471.597 3.541 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 ZINC001314671675 1070815255 /nfs/dbraw/zinc/81/52/55/1070815255.db2.gz NQMIRZHZFYVNKO-LADGPHEKSA-N 1 0 485.673 3.749 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(Nc3cnn(C)c3)nnc2-c2ccc(C(C)(C)C)cc2)CC1 ZINC001314672835 1070818042 /nfs/dbraw/zinc/81/80/42/1070818042.db2.gz VUTNYDQGGCUDTL-UHFFFAOYSA-N 1 0 464.662 3.993 20 0 JHADRO CN(c1nnc(-c2ccc(Br)cc2Cl)n1CCOCC[NH+](C)C)C1CCC1 ZINC001314672030 1070815870 /nfs/dbraw/zinc/81/58/70/1070815870.db2.gz WMLTYBJOPYSJMT-UHFFFAOYSA-N 1 0 456.816 3.928 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001313652454 1070829784 /nfs/dbraw/zinc/82/97/84/1070829784.db2.gz TVOUIGQDSXEMFN-TZIWHRDSSA-N 1 0 479.604 3.864 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001313652586 1070830278 /nfs/dbraw/zinc/83/02/78/1070830278.db2.gz VYPCPUFHANRFGG-REWPJTCUSA-N 1 0 478.645 3.953 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001313655138 1070842529 /nfs/dbraw/zinc/84/25/29/1070842529.db2.gz JIWWOZBSVLUOPY-JOCHJYFZSA-N 1 0 487.718 3.959 20 0 JHADRO CCc1ccc([C@H](CNS(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)[NH+](CC)CC)cc1 ZINC001309543487 1070842789 /nfs/dbraw/zinc/84/27/89/1070842789.db2.gz PXNDBGQHXPNFTP-FQEVSTJZSA-N 1 0 450.576 3.845 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001313655476 1070843970 /nfs/dbraw/zinc/84/39/70/1070843970.db2.gz OLGVMSHUNJXZHM-UHFFFAOYSA-N 1 0 497.688 3.625 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001313657205 1070854734 /nfs/dbraw/zinc/85/47/34/1070854734.db2.gz PJHRCAHGRMDLST-VQTJNVASSA-N 1 0 464.614 3.921 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1nncn1C ZINC001313656153 1070848918 /nfs/dbraw/zinc/84/89/18/1070848918.db2.gz FRYJJGKEAQMKDI-GGPKGHCWSA-N 1 0 470.597 3.758 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001313656645 1070851431 /nfs/dbraw/zinc/85/14/31/1070851431.db2.gz DTJPLWZOEHAAHG-MZKRTTBSSA-N 1 0 466.674 3.935 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001313657775 1070856844 /nfs/dbraw/zinc/85/68/44/1070856844.db2.gz UXNIBXMOHNMFLD-IFMALSPDSA-N 1 0 477.657 3.837 20 0 JHADRO Cc1cc(S(=O)(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)sc1C ZINC001309560100 1070857535 /nfs/dbraw/zinc/85/75/35/1070857535.db2.gz BWSCGPGXUGLEOT-UHFFFAOYSA-N 1 0 454.061 3.994 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001313659727 1070863637 /nfs/dbraw/zinc/86/36/37/1070863637.db2.gz LCRJUOXEUOJQEU-FCHUYYIVSA-N 1 0 477.657 3.660 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001313658084 1070858218 /nfs/dbraw/zinc/85/82/18/1070858218.db2.gz XCJJDSFYMYIJOH-BCHFMIIMSA-N 1 0 487.645 3.708 20 0 JHADRO O=S(=O)(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccnn1CCc1ccccc1 ZINC001309561307 1070858460 /nfs/dbraw/zinc/85/84/60/1070858460.db2.gz GKHQNFPDUVTSPI-DEOSSOPVSA-N 1 0 452.624 3.706 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001313658083 1070858572 /nfs/dbraw/zinc/85/85/72/1070858572.db2.gz XCJJDSFYMYIJOH-AFMDSPMNSA-N 1 0 487.645 3.708 20 0 JHADRO O=S(=O)(Cc1ncsc1Br)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001309561322 1070858918 /nfs/dbraw/zinc/85/89/18/1070858918.db2.gz GXLPCLXNEVZANM-MRXNPFEDSA-N 1 0 458.447 3.627 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001313659734 1070863927 /nfs/dbraw/zinc/86/39/27/1070863927.db2.gz LCRJUOXEUOJQEU-YADHBBJMSA-N 1 0 477.657 3.660 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001313658501 1070859552 /nfs/dbraw/zinc/85/95/52/1070859552.db2.gz ASNWYKYMWODVDU-KNQAVFIVSA-N 1 0 450.635 3.800 20 0 JHADRO CN(c1nnc(CC(C)(C)C)n1CC1CCS(=O)(=O)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314696039 1070859739 /nfs/dbraw/zinc/85/97/39/1070859739.db2.gz ZNYDWUMVLOPBTO-UHFFFAOYSA-N 1 0 487.714 3.792 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313659988 1070864442 /nfs/dbraw/zinc/86/44/42/1070864442.db2.gz MVCSFKYQPVNLGI-UQBPGWFLSA-N 1 0 457.619 3.842 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001313659020 1070860353 /nfs/dbraw/zinc/86/03/53/1070860353.db2.gz GWQZXBHXPNRNQF-HXUWFJFHSA-N 1 0 463.630 3.711 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001313659094 1070861479 /nfs/dbraw/zinc/86/14/79/1070861479.db2.gz IDZUTVBQMCSOLO-HXUWFJFHSA-N 1 0 466.605 3.784 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001313659398 1070863140 /nfs/dbraw/zinc/86/31/40/1070863140.db2.gz JISDGRZSMHKMHW-UXHICEINSA-N 1 0 453.610 3.868 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001313663190 1070871548 /nfs/dbraw/zinc/87/15/48/1070871548.db2.gz HEPAEGMCKMMXBC-JTHBVZDNSA-N 1 0 474.694 3.869 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC001313660737 1070866533 /nfs/dbraw/zinc/86/65/33/1070866533.db2.gz UWGXIQWBDKTFKY-FQEVSTJZSA-N 1 0 482.654 3.513 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 ZINC001313661336 1070868112 /nfs/dbraw/zinc/86/81/12/1070868112.db2.gz DXIBBWNCCYUJTM-SFHVURJKSA-N 1 0 470.021 3.607 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001313661617 1070868214 /nfs/dbraw/zinc/86/82/14/1070868214.db2.gz ZUSWIVWJUIVNNE-SFHVURJKSA-N 1 0 455.557 3.675 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001313662405 1070870852 /nfs/dbraw/zinc/87/08/52/1070870852.db2.gz SUUYNEZOBXBCGV-KRWDZBQOSA-N 1 0 453.616 3.626 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCSC2(CCCCC2)C1 ZINC001313663520 1070872352 /nfs/dbraw/zinc/87/23/52/1070872352.db2.gz FDCKVHJOBOKLGO-ACRUOGEOSA-N 1 0 465.708 3.989 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@](C)(OC)C1)c1ccccc1 ZINC001313663342 1070872380 /nfs/dbraw/zinc/87/23/80/1070872380.db2.gz COWSHKLCFHZZIG-PXDATVDWSA-N 1 0 456.635 3.505 20 0 JHADRO CN(c1nnc([C@H]2CCCO2)n1CCCOC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314703888 1070871580 /nfs/dbraw/zinc/87/15/80/1070871580.db2.gz HRXTTWPKMYOJSJ-RTBURBONSA-N 1 0 453.509 3.767 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313663659 1070873081 /nfs/dbraw/zinc/87/30/81/1070873081.db2.gz KOPWKYNUSKXXGC-FPOVZHCZSA-N 1 0 456.635 3.594 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1)c1ccsc1 ZINC001313663731 1070873356 /nfs/dbraw/zinc/87/33/56/1070873356.db2.gz HBCPHOIBRBLJMW-OAQYLSRUSA-N 1 0 468.675 3.971 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001313665605 1070880806 /nfs/dbraw/zinc/88/08/06/1070880806.db2.gz FZTPQJRUPAMFNY-PGRDOPGGSA-N 1 0 453.610 3.986 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001313664154 1070875111 /nfs/dbraw/zinc/87/51/11/1070875111.db2.gz MUUMTFJQSNSSSQ-RTBURBONSA-N 1 0 477.600 3.669 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313664425 1070875521 /nfs/dbraw/zinc/87/55/21/1070875521.db2.gz NDYKGTCXAKQSLH-DXIQSLLYSA-N 1 0 477.675 3.851 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC)CC1 ZINC001313664333 1070875965 /nfs/dbraw/zinc/87/59/65/1070875965.db2.gz AVZURAIBVHOYEL-FQEVSTJZSA-N 1 0 486.661 3.773 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001313664296 1070876047 /nfs/dbraw/zinc/87/60/47/1070876047.db2.gz AFHDCRHBWZESNU-SJLPKXTDSA-N 1 0 480.629 3.872 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001313664352 1070876976 /nfs/dbraw/zinc/87/69/76/1070876976.db2.gz AZPYQSTUYDOUHQ-RLWLMLJZSA-N 1 0 471.646 3.670 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)nnc1C(C)(C)C ZINC001313664801 1070877284 /nfs/dbraw/zinc/87/72/84/1070877284.db2.gz AELRKLOOEWUIOY-NRFANRHFSA-N 1 0 483.705 3.683 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313664819 1070878214 /nfs/dbraw/zinc/87/82/14/1070878214.db2.gz AKLSVUDSINZCHX-DYESRHJHSA-N 1 0 461.573 3.828 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(-c2cccnc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314707761 1070879909 /nfs/dbraw/zinc/87/99/09/1070879909.db2.gz CTRLDTHKDCTWDL-UHFFFAOYSA-N 1 0 483.567 3.815 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(Cl)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314708801 1070883003 /nfs/dbraw/zinc/88/30/03/1070883003.db2.gz VMTXHQYVYIDPQU-UHFFFAOYSA-N 1 0 491.080 3.983 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2cnn(C)c2)CC1)c1ccsc1 ZINC001313666168 1070883222 /nfs/dbraw/zinc/88/32/22/1070883222.db2.gz UMJJXTUEGYRBLD-QFIPXVFZSA-N 1 0 498.701 3.678 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314709893 1070886608 /nfs/dbraw/zinc/88/66/08/1070886608.db2.gz IXNYLTIAGIOFMQ-IBGZPJMESA-N 1 0 472.634 3.723 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001313667226 1070888159 /nfs/dbraw/zinc/88/81/59/1070888159.db2.gz JYOVEXNLQGYABF-OAQYLSRUSA-N 1 0 470.662 3.651 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001313667098 1070888239 /nfs/dbraw/zinc/88/82/39/1070888239.db2.gz IRNFYQXFCDOZOR-LPHOPBHVSA-N 1 0 486.107 3.577 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001313667099 1070888409 /nfs/dbraw/zinc/88/84/09/1070888409.db2.gz IRNFYQXFCDOZOR-QFBILLFUSA-N 1 0 486.107 3.577 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001313667302 1070888997 /nfs/dbraw/zinc/88/89/97/1070888997.db2.gz KUKOTBQCLVHEEM-HXUWFJFHSA-N 1 0 464.614 3.868 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001313668353 1070891495 /nfs/dbraw/zinc/89/14/95/1070891495.db2.gz PQCMZNUXOBTUHR-IRLDBZIGSA-N 1 0 482.673 3.696 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313668417 1070892140 /nfs/dbraw/zinc/89/21/40/1070892140.db2.gz QUSZCDZJIKGOON-OAQYLSRUSA-N 1 0 486.661 3.687 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313668470 1070892163 /nfs/dbraw/zinc/89/21/63/1070892163.db2.gz PIUMWGUURUZTMD-HLIPFELVSA-N 1 0 485.551 3.752 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001313669294 1070894243 /nfs/dbraw/zinc/89/42/43/1070894243.db2.gz VCELGTDEQQAHJV-QFIPXVFZSA-N 1 0 494.640 3.760 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313670445 1070896818 /nfs/dbraw/zinc/89/68/18/1070896818.db2.gz ZRJCOVYZMYYFBI-GAJHUEQPSA-N 1 0 479.094 3.917 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313670446 1070897406 /nfs/dbraw/zinc/89/74/06/1070897406.db2.gz ZRJCOVYZMYYFBI-HXOBKFHXSA-N 1 0 479.094 3.917 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2noc3c2COCC3)n1CCCCC[NH+]1CCCCC1 ZINC001314718040 1070909553 /nfs/dbraw/zinc/90/95/53/1070909553.db2.gz WJXHZXPJOKVVJO-UHFFFAOYSA-N 1 0 456.513 3.661 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001314718034 1070909637 /nfs/dbraw/zinc/90/96/37/1070909637.db2.gz WHIAVRWCIHCJGB-PBHICJAKSA-N 1 0 451.522 3.878 20 0 JHADRO CN(CC(F)(F)F)c1nnc(Cc2ccsc2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001314717731 1070909661 /nfs/dbraw/zinc/90/96/61/1070909661.db2.gz CZTJMCVUFJITNX-UHFFFAOYSA-N 1 0 478.588 3.747 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1CC[N@H+]1CC=CCC1 ZINC001314714733 1070904089 /nfs/dbraw/zinc/90/40/89/1070904089.db2.gz WVEBVUOSGFJFBR-UHFFFAOYSA-N 1 0 473.065 3.655 20 0 JHADRO CC[N@H+](CCCNS(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1)C1CCCCC1 ZINC001309655006 1070905707 /nfs/dbraw/zinc/90/57/07/1070905707.db2.gz ZZCULHWORANUAW-UHFFFAOYSA-N 1 0 450.523 3.815 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccncc2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001313673571 1070907862 /nfs/dbraw/zinc/90/78/62/1070907862.db2.gz ZOAJDPJSTKYWTR-QFIPXVFZSA-N 1 0 489.668 3.735 20 0 JHADRO CN(CC(F)(F)F)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314717212 1070908169 /nfs/dbraw/zinc/90/81/69/1070908169.db2.gz GGXWNVWNNDKXNY-MRXNPFEDSA-N 1 0 463.508 3.713 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccco1 ZINC001313673662 1070908681 /nfs/dbraw/zinc/90/86/81/1070908681.db2.gz KRXODEOXQGBNHE-HSALFYBXSA-N 1 0 458.607 3.566 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 ZINC001313673915 1070909181 /nfs/dbraw/zinc/90/91/81/1070909181.db2.gz SGVXJABYDNIKMZ-UPVQGACJSA-N 1 0 490.656 3.559 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C)c1ccsc1 ZINC001313674414 1070911898 /nfs/dbraw/zinc/91/18/98/1070911898.db2.gz JCRGCMYVJFJROV-FQEVSTJZSA-N 1 0 496.747 3.580 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)C)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1)c1ccco1 ZINC001313676180 1070919653 /nfs/dbraw/zinc/91/96/53/1070919653.db2.gz DBZMWZBLDAEUKJ-CPJSRVTESA-N 1 0 459.635 3.927 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccco1 ZINC001313675342 1070915820 /nfs/dbraw/zinc/91/58/20/1070915820.db2.gz RYNRAZNHUXAKKR-YLJYHZDGSA-N 1 0 471.005 3.942 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(C)C)C1)c1ccco1 ZINC001313675535 1070916750 /nfs/dbraw/zinc/91/67/50/1070916750.db2.gz PHMGOPVXDUTASW-NHCUHLMSSA-N 1 0 456.635 3.949 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OC)C1)c1ccccc1 ZINC001313676367 1070920264 /nfs/dbraw/zinc/92/02/64/1070920264.db2.gz WQLAOOKDFFLMRA-RPWUZVMVSA-N 1 0 465.646 3.838 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001313676272 1070920274 /nfs/dbraw/zinc/92/02/74/1070920274.db2.gz ZBXXRFAQJOPPEV-SFTDATJTSA-N 1 0 471.627 3.553 20 0 JHADRO CCN(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccco1 ZINC001313676472 1070920995 /nfs/dbraw/zinc/92/09/95/1070920995.db2.gz DSBOPNFUUGGYQH-GOTSBHOMSA-N 1 0 499.681 3.867 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccsc1 ZINC001313676486 1070921277 /nfs/dbraw/zinc/92/12/77/1070921277.db2.gz FBJZPNYQQSXKBP-KNQAVFIVSA-N 1 0 460.692 3.893 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313676652 1070922123 /nfs/dbraw/zinc/92/21/23/1070922123.db2.gz YOTGVJUSJMQVAS-QGZVFWFLSA-N 1 0 456.557 3.936 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313676763 1070922845 /nfs/dbraw/zinc/92/28/45/1070922845.db2.gz ZBFQJYXMKVCODI-QHAWAJNXSA-N 1 0 460.667 3.797 20 0 JHADRO CN(Cc1cc(F)cc(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314724133 1070925191 /nfs/dbraw/zinc/92/51/91/1070925191.db2.gz UGUZPGYBCBWOQH-LJQANCHMSA-N 1 0 495.640 3.749 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cncn2)C1)c1ccco1 ZINC001313680250 1070938461 /nfs/dbraw/zinc/93/84/61/1070938461.db2.gz SIVBXNICWXBZPA-UXHICEINSA-N 1 0 454.623 3.976 20 0 JHADRO CN(Cc1ccc(Cl)c(F)c1)c1nnc([C@H]2CCCCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314727739 1070939402 /nfs/dbraw/zinc/93/94/02/1070939402.db2.gz DQCUSQGIXVIHNZ-OAQYLSRUSA-N 1 0 479.044 3.975 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC001313680855 1070939601 /nfs/dbraw/zinc/93/96/01/1070939601.db2.gz UPRUFBDDDOQCMR-UGKGYDQZSA-N 1 0 484.645 3.854 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314729393 1070944126 /nfs/dbraw/zinc/94/41/26/1070944126.db2.gz KADAAHGLEYICDV-WMZOPIPTSA-N 1 0 498.491 3.827 20 0 JHADRO CN(Cc1ccc(Cl)c(F)c1)c1nnc(Cc2ccncc2)n1CCC[NH+]1CCC(O)CC1 ZINC001314729026 1070942701 /nfs/dbraw/zinc/94/27/01/1070942701.db2.gz BUUJSXGUUMTUSB-UHFFFAOYSA-N 1 0 472.996 3.540 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(C)n2)CC1 ZINC001313691467 1070950788 /nfs/dbraw/zinc/95/07/88/1070950788.db2.gz MZSOGFMACDZDDE-SANMLTNESA-N 1 0 470.662 3.575 20 0 JHADRO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@@H]2CCCCO2)n1CC[N@H+](C)C1CCCCC1 ZINC001314731870 1070951607 /nfs/dbraw/zinc/95/16/07/1070951607.db2.gz VUPYRKAJKMTYNO-QFIPXVFZSA-N 1 0 454.619 3.520 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001313695059 1070958627 /nfs/dbraw/zinc/95/86/27/1070958627.db2.gz LFHXFIGFZNCZNO-OAQYLSRUSA-N 1 0 470.637 3.730 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)N2CCCCC2)CC1 ZINC001313693902 1070956014 /nfs/dbraw/zinc/95/60/14/1070956014.db2.gz HOAJOOVYAQUGER-UHFFFAOYSA-N 1 0 498.672 3.676 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)SC)CC1 ZINC001313694712 1070957989 /nfs/dbraw/zinc/95/79/89/1070957989.db2.gz JHNPINBZLPHFIN-LJQANCHMSA-N 1 0 472.707 3.514 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC=CO2)CC1 ZINC001313695760 1070961353 /nfs/dbraw/zinc/96/13/53/1070961353.db2.gz SGVNCPUJMYDGKS-OAQYLSRUSA-N 1 0 455.603 3.966 20 0 JHADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC001309772113 1070961759 /nfs/dbraw/zinc/96/17/59/1070961759.db2.gz PBBQUONRQKSZSR-UHFFFAOYSA-N 1 0 454.390 3.534 20 0 JHADRO CC(C)(O)C1CCN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC001309771080 1070961791 /nfs/dbraw/zinc/96/17/91/1070961791.db2.gz RUNOWIUHBBGHNX-BJKOFHAPSA-N 1 0 460.615 3.606 20 0 JHADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314736233 1070962428 /nfs/dbraw/zinc/96/24/28/1070962428.db2.gz FMWSLLLXHOZFSQ-MJGOQNOKSA-N 1 0 461.513 3.916 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccsc2Br)CC1 ZINC001313696692 1070963947 /nfs/dbraw/zinc/96/39/47/1070963947.db2.gz WHITYACQASOBJS-INIZCTEOSA-N 1 0 468.465 3.965 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(C(C)(C)O)c2)CC1 ZINC001313696906 1070965191 /nfs/dbraw/zinc/96/51/91/1070965191.db2.gz ZECORLJIZPRQDC-UHFFFAOYSA-N 1 0 450.631 3.870 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001313697447 1070967064 /nfs/dbraw/zinc/96/70/64/1070967064.db2.gz PDFUQCZSYYKOQA-RDPSFJRHSA-N 1 0 474.694 3.552 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001313697448 1070967111 /nfs/dbraw/zinc/96/71/11/1070967111.db2.gz PDFUQCZSYYKOQA-YKSBVNFPSA-N 1 0 474.694 3.552 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc([C@H]2CCCO2)n1CC[N@H+](C)C1CCCCC1 ZINC001314737865 1070967657 /nfs/dbraw/zinc/96/76/57/1070967657.db2.gz RMGHCOLUMYMLTC-APYJYERMSA-N 1 0 459.660 3.768 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2COCCO2)CC1 ZINC001313697718 1070967767 /nfs/dbraw/zinc/96/77/67/1070967767.db2.gz PGTQKYATGGVEGH-SFHVURJKSA-N 1 0 468.429 3.978 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001313698334 1070970246 /nfs/dbraw/zinc/97/02/46/1070970246.db2.gz YDHCGDMCELFPKQ-YTTGMZPUSA-N 1 0 459.660 3.566 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001313698109 1070969613 /nfs/dbraw/zinc/96/96/13/1070969613.db2.gz SFGDNCMMGBSUNA-GAJHUEQPSA-N 1 0 492.462 3.558 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCc2nc(C)c(C)s2)CC1 ZINC001313698615 1070970865 /nfs/dbraw/zinc/97/08/65/1070970865.db2.gz ANCMMQAFADUZPU-UHFFFAOYSA-N 1 0 495.697 3.560 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)[C@@H](F)C2)cc1 ZINC001313699311 1070973366 /nfs/dbraw/zinc/97/33/66/1070973366.db2.gz AVQJFNATWAESBP-PVSGBFIBSA-N 1 0 459.610 3.686 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cccn3C)nnc2N(C)CC(=O)NC(C)(C)C)c1 ZINC001313700082 1070975871 /nfs/dbraw/zinc/97/58/71/1070975871.db2.gz MTJSJJWKRGYVMP-UHFFFAOYSA-N 1 0 465.646 3.525 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2[C@@H]2C[C@@H]2C)CC1 ZINC001313699409 1070974153 /nfs/dbraw/zinc/97/41/53/1070974153.db2.gz XRBDCINTKXHUEW-QFBILLFUSA-N 1 0 495.455 3.735 20 0 JHADRO CN(Cc1cccc(C(F)(F)F)c1)c1nnc(-c2cccn2C)n1CCC[NH+]1CCC(O)CC1 ZINC001314741838 1070979770 /nfs/dbraw/zinc/97/97/70/1070979770.db2.gz MEBDSDYWJIYQRY-UHFFFAOYSA-N 1 0 476.547 3.786 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCS[C@@H](C(C)C)C2)c1 ZINC001313701604 1070980648 /nfs/dbraw/zinc/98/06/48/1070980648.db2.gz AUHJGKIUXLFCCH-HSZRJFAPSA-N 1 0 484.714 3.868 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cc(C)nn2C)C1 ZINC001313701760 1070981279 /nfs/dbraw/zinc/98/12/79/1070981279.db2.gz KCKKBVZOKNJIMH-QGZVFWFLSA-N 1 0 460.001 3.996 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2OCCC2(C)C)C1 ZINC001313702087 1070982906 /nfs/dbraw/zinc/98/29/06/1070982906.db2.gz MLVQYRSJMDVHMU-XXBNENTESA-N 1 0 471.646 3.946 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)c2ccc(C)cc2)CC1 ZINC001313702161 1070983492 /nfs/dbraw/zinc/98/34/92/1070983492.db2.gz AIGSAJVNQHNNAX-VWNXMTODSA-N 1 0 482.673 3.622 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@H](Cn1c(N2CCC[C@H](CC(N)=O)C2)nnc1C(C)(C)C)C1CC1 ZINC001314744836 1070987011 /nfs/dbraw/zinc/98/70/11/1070987011.db2.gz QIOPQNQFDAGGHE-IFMALSPDSA-N 1 0 452.647 3.578 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001313702632 1070984853 /nfs/dbraw/zinc/98/48/53/1070984853.db2.gz QUPAOCKJYIUDEK-MOPGFXCFSA-N 1 0 480.078 3.591 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC001313703004 1070985539 /nfs/dbraw/zinc/98/55/39/1070985539.db2.gz DDHYBKOIZFAUPV-HSZRJFAPSA-N 1 0 496.059 3.989 20 0 JHADRO CN(Cc1cccc(F)c1)c1nnc(-c2cc(Br)cn2C)n1CC[NH+]1CCCC1 ZINC001314744756 1070987234 /nfs/dbraw/zinc/98/72/34/1070987234.db2.gz NBGNTEJHHQIJBC-UHFFFAOYSA-N 1 0 461.383 3.917 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(CCCC3)C2)cc1 ZINC001313703017 1070985957 /nfs/dbraw/zinc/98/59/57/1070985957.db2.gz DMRWBZNFDNSMRD-FQEVSTJZSA-N 1 0 488.702 3.549 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCC(=O)N(C)C)C1 ZINC001313703627 1070987365 /nfs/dbraw/zinc/98/73/65/1070987365.db2.gz ZZUKTZAYRBQYIW-LJQANCHMSA-N 1 0 452.603 3.728 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)NC(C)C)C1 ZINC001313703604 1070987390 /nfs/dbraw/zinc/98/73/90/1070987390.db2.gz ZVCIFZBJVZNGDR-RBUKOAKNSA-N 1 0 472.703 3.824 20 0 JHADRO CC(C)(O)[C@@H]1CCCN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)C1 ZINC001309830551 1070988568 /nfs/dbraw/zinc/98/85/68/1070988568.db2.gz VYQQCPGAPVRGPB-YFNKSVMNSA-N 1 0 460.615 3.606 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCc2sccc2C1 ZINC001313704029 1070988526 /nfs/dbraw/zinc/98/85/26/1070988526.db2.gz SBAXYCXSQVTFTP-UHFFFAOYSA-N 1 0 466.655 3.931 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC001313703867 1070988699 /nfs/dbraw/zinc/98/86/99/1070988699.db2.gz HTKYQCLNRNPKDW-SFHVURJKSA-N 1 0 482.032 3.551 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(C)cc2C)CC1 ZINC001313703945 1070988734 /nfs/dbraw/zinc/98/87/34/1070988734.db2.gz JZRWEFIZPKWYRW-UHFFFAOYSA-N 1 0 468.690 3.717 20 0 JHADRO CN(Cc1ccccc1C(F)(F)F)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314746346 1070991262 /nfs/dbraw/zinc/99/12/62/1070991262.db2.gz ILWQYOXZGOKZBX-IBGZPJMESA-N 1 0 474.531 3.842 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCSC1 ZINC001313705082 1070993080 /nfs/dbraw/zinc/99/30/80/1070993080.db2.gz QPNLQZHSVSHZDL-HSZRJFAPSA-N 1 0 467.687 3.972 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001313705005 1070992454 /nfs/dbraw/zinc/99/24/54/1070992454.db2.gz OZCLDKUPYSNXCO-UHFFFAOYSA-N 1 0 480.636 3.622 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001313705462 1070993653 /nfs/dbraw/zinc/99/36/53/1070993653.db2.gz UGCNZCFOGOWGGJ-SANMLTNESA-N 1 0 455.647 3.753 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC(C)C)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001313705439 1070993665 /nfs/dbraw/zinc/99/36/65/1070993665.db2.gz SRLQUEINHZFSLZ-UHFFFAOYSA-N 1 0 466.674 3.958 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCS[C@H](C(C)C)C2)cc1 ZINC001313705728 1070994504 /nfs/dbraw/zinc/99/45/04/1070994504.db2.gz TWPGZMUYXGRXNZ-VXKWHMMOSA-N 1 0 470.687 3.697 20 0 JHADRO O=S(=O)(N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1)c1ccc(F)cc1Cl ZINC001309851999 1070995914 /nfs/dbraw/zinc/99/59/14/1070995914.db2.gz BMRAEOZTJYSOHK-LJQANCHMSA-N 1 0 452.979 3.971 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)c2ccco2)C1 ZINC001313706297 1070996336 /nfs/dbraw/zinc/99/63/36/1070996336.db2.gz HBUFVLQMUQWVKM-ZBLYBZFDSA-N 1 0 494.640 3.816 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC001313706382 1070996355 /nfs/dbraw/zinc/99/63/55/1070996355.db2.gz HYKSWUDKAKIPQR-HXUWFJFHSA-N 1 0 479.629 3.596 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001313706619 1070996776 /nfs/dbraw/zinc/99/67/76/1070996776.db2.gz DKVPMDHOTDPMNY-UXHICEINSA-N 1 0 473.666 3.613 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001313706620 1070996806 /nfs/dbraw/zinc/99/68/06/1070996806.db2.gz DKVPMDHOTDPMNY-VQTJNVASSA-N 1 0 473.666 3.613 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)cc2OC)C1 ZINC001313707257 1070997417 /nfs/dbraw/zinc/99/74/17/1070997417.db2.gz KWWDECMOGWSTDG-KRWDZBQOSA-N 1 0 458.010 3.557 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3C)CC2)C1 ZINC001313707158 1070997579 /nfs/dbraw/zinc/99/75/79/1070997579.db2.gz LKVDSQSUFCSBCA-OAQYLSRUSA-N 1 0 452.647 3.625 20 0 JHADRO Cn1cc(-c2nnc(N3CCC(C[N@H+](C)Cc4ccccc4)CC3)n2CC[S@@](=O)C(C)(C)C)cn1 ZINC001314748417 1070997662 /nfs/dbraw/zinc/99/76/62/1070997662.db2.gz FQCAINBJHARLBU-PGUFJCEWSA-N 1 0 497.713 3.574 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCSC2(C)C)C1 ZINC001313707705 1070998734 /nfs/dbraw/zinc/99/87/34/1070998734.db2.gz OTMDHOIVVAOSQA-RBUKOAKNSA-N 1 0 471.675 3.625 20 0 JHADRO COC(=O)CC(C)(C)CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309861699 1070998808 /nfs/dbraw/zinc/99/88/08/1070998808.db2.gz LERXPYUQJZAWPH-FCHUYYIVSA-N 1 0 479.042 3.817 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Cl)c2C)C1 ZINC001313709814 1071003474 /nfs/dbraw/zinc/00/34/74/1071003474.db2.gz QWUUUEWQXLXRMY-IBGZPJMESA-N 1 0 459.038 3.579 20 0 JHADRO CCC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)CC1 ZINC001309869249 1071000733 /nfs/dbraw/zinc/00/07/33/1071000733.db2.gz SOKORYJZZHYSOE-IBGZPJMESA-N 1 0 457.036 3.927 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001313709320 1071001988 /nfs/dbraw/zinc/00/19/88/1071001988.db2.gz KUTICTAXVHQOKT-NQIIRXRSSA-N 1 0 489.064 3.593 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C3CC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001313709373 1071002025 /nfs/dbraw/zinc/00/20/25/1071002025.db2.gz CZWMUCMTIJIHAX-VGSWGCGISA-N 1 0 451.537 3.774 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccccc2F)C1 ZINC001313709488 1071002188 /nfs/dbraw/zinc/00/21/88/1071002188.db2.gz MNHLEVKIXMFSAB-OAQYLSRUSA-N 1 0 453.610 3.690 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2C)C1 ZINC001313709489 1071002523 /nfs/dbraw/zinc/00/25/23/1071002523.db2.gz MNLGOELLRMZEJU-FQEVSTJZSA-N 1 0 466.655 3.794 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC=CCO2)C1 ZINC001313709645 1071002840 /nfs/dbraw/zinc/00/28/40/1071002840.db2.gz OVIVMVIKCSOHQT-FSSWDIPSSA-N 1 0 488.677 3.863 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(COC(C)(C)C)on2)C1 ZINC001313709682 1071002970 /nfs/dbraw/zinc/00/29/70/1071002970.db2.gz PEGLFTUFQGGGDP-GHTZIAJQSA-N 1 0 460.623 3.649 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCSC2(C)C)C1 ZINC001313710404 1071004335 /nfs/dbraw/zinc/00/43/35/1071004335.db2.gz ZSKYJYGTPASBNG-BURNTYAHSA-N 1 0 465.708 3.702 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)C)C1 ZINC001313710611 1071004664 /nfs/dbraw/zinc/00/46/64/1071004664.db2.gz ATRAYWKUTXNUMN-NHCUHLMSSA-N 1 0 478.682 3.801 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCNc2nccc(C(F)(F)F)n2)C1 ZINC001313710897 1071005195 /nfs/dbraw/zinc/00/51/95/1071005195.db2.gz CKKPGRCCDWJJJU-QGZVFWFLSA-N 1 0 482.599 3.956 20 0 JHADRO CN(Cc1ccccc1Cl)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314753256 1071005828 /nfs/dbraw/zinc/00/58/28/1071005828.db2.gz UZDZNYFLRVZFEL-IBGZPJMESA-N 1 0 480.078 3.592 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001313711604 1071006468 /nfs/dbraw/zinc/00/64/68/1071006468.db2.gz OMWPXKZRKNNQPR-ROUUACIJSA-N 1 0 496.381 3.693 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001313711602 1071006501 /nfs/dbraw/zinc/00/65/01/1071006501.db2.gz OMWPXKZRKNNQPR-QZTJIDSGSA-N 1 0 496.381 3.693 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001313712751 1071009628 /nfs/dbraw/zinc/00/96/28/1071009628.db2.gz UETNIBXJILQAKA-MOPGFXCFSA-N 1 0 472.703 3.955 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313712123 1071008223 /nfs/dbraw/zinc/00/82/23/1071008223.db2.gz SGLOOPBZEANBLB-UHFFFAOYSA-N 1 0 479.467 3.790 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)COC)C1 ZINC001313713486 1071010452 /nfs/dbraw/zinc/01/04/52/1071010452.db2.gz UVBOGOIUFBXYEM-RTWAWAEBSA-N 1 0 492.709 3.843 20 0 JHADRO C[S@@](=O)(=NS(=O)(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)C1CCCCC1 ZINC001309904783 1071011410 /nfs/dbraw/zinc/01/14/10/1071011410.db2.gz LGLRPGZZLBXCRT-LJAQVGFWSA-N 1 0 453.674 3.749 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCCC2(C)C)C1 ZINC001313714333 1071012338 /nfs/dbraw/zinc/01/23/38/1071012338.db2.gz XZAIMMLILGLBHT-CYFREDJKSA-N 1 0 460.692 3.743 20 0 JHADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001309909095 1071013405 /nfs/dbraw/zinc/01/34/05/1071013405.db2.gz NMUJTFCPYDKJGV-IZZNHLLZSA-N 1 0 463.603 3.982 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001313716187 1071015513 /nfs/dbraw/zinc/01/55/13/1071015513.db2.gz PFKGRHVTKFQIOX-UHFFFAOYSA-N 1 0 471.009 3.563 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001313719623 1071020541 /nfs/dbraw/zinc/02/05/41/1071020541.db2.gz BTINBRZNYVKNEQ-MHZLTWQESA-N 1 0 498.672 3.632 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001313715939 1071015641 /nfs/dbraw/zinc/01/56/41/1071015641.db2.gz MRBWCVLBDBWVJA-QFIPXVFZSA-N 1 0 458.557 3.872 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001313716515 1071015858 /nfs/dbraw/zinc/01/58/58/1071015858.db2.gz JXSWENBYKBNYOQ-UHFFFAOYSA-N 1 0 468.049 3.976 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001313717254 1071016440 /nfs/dbraw/zinc/01/64/40/1071016440.db2.gz YDWBHUZUDSXINF-UHFFFAOYSA-N 1 0 460.424 3.809 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC001313717262 1071016704 /nfs/dbraw/zinc/01/67/04/1071016704.db2.gz YJOAOUYDGGCICG-XMMPIXPASA-N 1 0 464.614 3.967 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(-c2cccnc2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001314760639 1071017118 /nfs/dbraw/zinc/01/71/18/1071017118.db2.gz MQRGJJFYEWTKTB-NRFANRHFSA-N 1 0 450.978 3.666 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(-c2ccccc2Br)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314760533 1071017245 /nfs/dbraw/zinc/01/72/45/1071017245.db2.gz KQHDNIGNNYFMSJ-NRFANRHFSA-N 1 0 490.475 3.515 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001313717543 1071017466 /nfs/dbraw/zinc/01/74/66/1071017466.db2.gz GRVZSGRRFYDWFB-UHFFFAOYSA-N 1 0 482.673 3.675 20 0 JHADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001309918519 1071017561 /nfs/dbraw/zinc/01/75/61/1071017561.db2.gz QIPWTBJCTCWVSH-LEWJYISDSA-N 1 0 470.616 3.790 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313718008 1071017743 /nfs/dbraw/zinc/01/77/43/1071017743.db2.gz UHVUWIAIMRJDRV-GOSISDBHSA-N 1 0 492.615 3.982 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2cccn2C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314762018 1071018855 /nfs/dbraw/zinc/01/88/55/1071018855.db2.gz CQJYBSPHYZALQP-SFHVURJKSA-N 1 0 478.567 3.793 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001313718555 1071018868 /nfs/dbraw/zinc/01/88/68/1071018868.db2.gz RVZCMCQIULLAKB-NQIIRXRSSA-N 1 0 497.562 3.928 20 0 JHADRO CC[NH+](CC)CCOCCn1c(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)nnc1C(C)(C)C ZINC001313718667 1071019153 /nfs/dbraw/zinc/01/91/53/1071019153.db2.gz AKUJXQWEEXBDAT-OAQYLSRUSA-N 1 0 465.589 3.790 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@H]2CCCO2)nnc1N1CCc2ccc(Br)cc2C1 ZINC001313719778 1071020622 /nfs/dbraw/zinc/02/06/22/1071020622.db2.gz WABUWXNIJIYTEP-OAQYLSRUSA-N 1 0 492.462 3.813 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001313719769 1071020860 /nfs/dbraw/zinc/02/08/60/1071020860.db2.gz VZAUBDPZWSNDPG-SVFBPWRDSA-N 1 0 470.597 3.721 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001313720148 1071021344 /nfs/dbraw/zinc/02/13/44/1071021344.db2.gz UUMOWHGTMZDTCC-QFIPXVFZSA-N 1 0 475.081 3.880 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C)C1 ZINC001313720252 1071021454 /nfs/dbraw/zinc/02/14/54/1071021454.db2.gz IWPMDLXYOORYCA-RBUKOAKNSA-N 1 0 461.676 3.715 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C)C1 ZINC001313720912 1071021895 /nfs/dbraw/zinc/02/18/95/1071021895.db2.gz UTCASWHUANJYHS-SFHVURJKSA-N 1 0 480.451 3.600 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001313721087 1071022495 /nfs/dbraw/zinc/02/24/95/1071022495.db2.gz DNLFOJPYXOALOZ-PNCHPQGNSA-N 1 0 492.462 3.822 20 0 JHADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001309940546 1071023141 /nfs/dbraw/zinc/02/31/41/1071023141.db2.gz KPOFAEJATAJLFQ-HBFSDRIKSA-N 1 0 462.999 3.706 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001313721178 1071023134 /nfs/dbraw/zinc/02/31/34/1071023134.db2.gz IAJZBFOFFJHOGJ-CRAIPNDOSA-N 1 0 478.016 3.508 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313721462 1071023793 /nfs/dbraw/zinc/02/37/93/1071023793.db2.gz CNCIFDXHEXGJFE-MOPGFXCFSA-N 1 0 470.643 3.671 20 0 JHADRO CC[NH+](CC)CCCn1c(N2CCC=C(Br)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313721357 1071023817 /nfs/dbraw/zinc/02/38/17/1071023817.db2.gz ZBYBNVXCTBQNLW-NRFANRHFSA-N 1 0 470.456 3.540 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC001313721747 1071025186 /nfs/dbraw/zinc/02/51/86/1071025186.db2.gz JQFWPXSMBBVHNO-MSOLQXFVSA-N 1 0 487.052 3.903 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001313723760 1071029231 /nfs/dbraw/zinc/02/92/31/1071029231.db2.gz MNORWPDHRBKUFF-NUJGCVRESA-N 1 0 498.441 3.817 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001313723915 1071029727 /nfs/dbraw/zinc/02/97/27/1071029727.db2.gz JSWQZYNYFNNFNO-LJQANCHMSA-N 1 0 459.610 3.860 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001313724148 1071030081 /nfs/dbraw/zinc/03/00/81/1071030081.db2.gz QKLLDMMUGGTDIF-WINIVTDRSA-N 1 0 495.672 3.564 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001313722700 1071027367 /nfs/dbraw/zinc/02/73/67/1071027367.db2.gz GIINZNOEJICETM-WOJBJXKFSA-N 1 0 455.676 3.959 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC001313722761 1071027399 /nfs/dbraw/zinc/02/73/99/1071027399.db2.gz ICBAVIKEVURPPO-JOCHJYFZSA-N 1 0 462.642 3.892 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001313722903 1071027838 /nfs/dbraw/zinc/02/78/38/1071027838.db2.gz HYGNXAJFSCUNCX-UEXGIBASSA-N 1 0 472.703 3.967 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001313723144 1071028371 /nfs/dbraw/zinc/02/83/71/1071028371.db2.gz AFUVRFOGCDCKPF-OAQYLSRUSA-N 1 0 480.632 3.707 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313727017 1071036254 /nfs/dbraw/zinc/03/62/54/1071036254.db2.gz JQWMAOBPRKYODP-OAQYLSRUSA-N 1 0 484.689 3.944 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313727524 1071037233 /nfs/dbraw/zinc/03/72/33/1071037233.db2.gz UIAOADYHJZYOLL-SJORKVTESA-N 1 0 466.051 3.953 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC001313727786 1071038183 /nfs/dbraw/zinc/03/81/83/1071038183.db2.gz GRJNQUOMNOTYIP-MJGOQNOKSA-N 1 0 457.648 3.811 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(C2CCC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001314772284 1071038642 /nfs/dbraw/zinc/03/86/42/1071038642.db2.gz UFFAOLIKIBEFJW-MRXNPFEDSA-N 1 0 472.581 3.894 20 0 JHADRO CCC[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001309990799 1071040721 /nfs/dbraw/zinc/04/07/21/1071040721.db2.gz AKZXAFFQJAGXIR-QFIPXVFZSA-N 1 0 456.612 3.646 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001313731362 1071046930 /nfs/dbraw/zinc/04/69/30/1071046930.db2.gz SBIXXDXBYUBEOG-SFHVURJKSA-N 1 0 495.640 3.749 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314775853 1071047222 /nfs/dbraw/zinc/04/72/22/1071047222.db2.gz UUOZQTQMVPESBQ-RBUKOAKNSA-N 1 0 476.000 3.985 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(CCCc2ccccc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314775963 1071047740 /nfs/dbraw/zinc/04/77/40/1071047740.db2.gz YCOQPDLRCMVGAZ-UHFFFAOYSA-N 1 0 499.107 3.503 20 0 JHADRO CCN(Cc1ccc(Cl)s1)c1nnc(Cc2ccncc2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001313732578 1071049711 /nfs/dbraw/zinc/04/97/11/1071049711.db2.gz HJTSUZOWXDQPAX-GOSISDBHSA-N 1 0 475.062 3.974 20 0 JHADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC001310000823 1071049652 /nfs/dbraw/zinc/04/96/52/1071049652.db2.gz ODIDJFFPFMSQMA-LJQANCHMSA-N 1 0 450.649 3.882 20 0 JHADRO CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(Cl)cc2)n1CCC[NH+]1CCCC1 ZINC001314777335 1071050072 /nfs/dbraw/zinc/05/00/72/1071050072.db2.gz 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CC[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1)C(C)C ZINC001313810314 1071241193 /nfs/dbraw/zinc/24/11/93/1071241193.db2.gz IKCWFSNMGYIEJW-UHFFFAOYSA-N 1 0 458.557 3.770 20 0 JHADRO CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C1CC1 ZINC001313810794 1071240357 /nfs/dbraw/zinc/24/03/57/1071240357.db2.gz NNDIBKFUDHAPJC-HXUWFJFHSA-N 1 0 471.650 3.604 20 0 JHADRO CC[N@H+](CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCCC[C@@H](SC)C1)C(C)C ZINC001313809256 1071236210 /nfs/dbraw/zinc/23/62/10/1071236210.db2.gz IDSWUIBRKONVLH-LJQANCHMSA-N 1 0 483.686 3.644 20 0 JHADRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Br)c(I)c2)C1 ZINC001310254599 1071241589 /nfs/dbraw/zinc/24/15/89/1071241589.db2.gz BYKKTMJGEICNKB-NSHDSACASA-N 1 0 452.134 3.660 20 0 JHADRO COc1cccc(CC(=O)N2CCc3ccc(NC(=O)N(C)C[C@@H]4CCC[N@H+](C)C4)cc32)c1 ZINC001310259312 1071246399 /nfs/dbraw/zinc/24/63/99/1071246399.db2.gz KUNKYWMISHQOKS-HXUWFJFHSA-N 1 0 450.583 3.633 20 0 JHADRO 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FPKVMNCFVDSWPX-UHFFFAOYSA-N 1 0 470.662 3.874 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(-c2cnccn2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001314877242 1071295228 /nfs/dbraw/zinc/29/52/28/1071295228.db2.gz IPUJYTKWJGDLNZ-FQEVSTJZSA-N 1 0 453.591 3.807 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(Cc2cccnc2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314877854 1071296640 /nfs/dbraw/zinc/29/66/40/1071296640.db2.gz CRGCJOUMQCUQRC-QFIPXVFZSA-N 1 0 454.594 3.957 20 0 JHADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC001310316530 1071298554 /nfs/dbraw/zinc/29/85/54/1071298554.db2.gz JZINSWUYSDFONP-HXUWFJFHSA-N 1 0 459.388 3.937 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(COc2ccc(Cl)cc2)n1CC[NH+]1CCSCC1 ZINC001314879937 1071301917 /nfs/dbraw/zinc/30/19/17/1071301917.db2.gz AWBIAOZWKVIKFI-UHFFFAOYSA-N 1 0 468.067 3.811 20 0 JHADRO O=C(Nc1cc(Br)cnc1OCC(F)(F)F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001310323861 1071307332 /nfs/dbraw/zinc/30/73/32/1071307332.db2.gz ZQMORHLAPVGUPV-ZDUSSCGKSA-N 1 0 451.287 3.877 20 0 JHADRO 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467.536 3.986 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001313895658 1071498022 /nfs/dbraw/zinc/49/80/22/1071498022.db2.gz BCNFBNNKVHHVOQ-JOCHJYFZSA-N 1 0 454.619 3.591 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313895640 1071498028 /nfs/dbraw/zinc/49/80/28/1071498028.db2.gz AVLOFYDTTXZXAL-OFVILXPXSA-N 1 0 489.064 3.741 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314987300 1071498904 /nfs/dbraw/zinc/49/89/04/1071498904.db2.gz BTDSZMHQPZMSML-PZJWPPBQSA-N 1 0 473.065 3.749 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(C3CCC3)nnc2N(CCO)Cc2ccc(Br)s2)C1 ZINC001313896284 1071499321 /nfs/dbraw/zinc/49/93/21/1071499321.db2.gz XVKUMEYYOJRUTM-OAHLLOKOSA-N 1 0 468.465 3.710 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC001313896476 1071500376 /nfs/dbraw/zinc/50/03/76/1071500376.db2.gz QLQSFIKUTXWPHV-HXUWFJFHSA-N 1 0 456.541 3.844 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001313897422 1071501855 /nfs/dbraw/zinc/50/18/55/1071501855.db2.gz JGKKRZDZUGAXDO-ZVDOUQERSA-N 1 0 456.660 3.962 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)C1 ZINC001313897691 1071503305 /nfs/dbraw/zinc/50/33/05/1071503305.db2.gz WNJWAYCDPODSGG-GGHGKWSUSA-N 1 0 466.655 3.541 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313897590 1071503616 /nfs/dbraw/zinc/50/36/16/1071503616.db2.gz YZSBJQJACJCBPK-MRXNPFEDSA-N 1 0 495.441 3.682 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001313900123 1071508647 /nfs/dbraw/zinc/50/86/47/1071508647.db2.gz MZYMAGQDWHOWPP-LEWJYISDSA-N 1 0 453.635 3.519 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001313898753 1071505904 /nfs/dbraw/zinc/50/59/04/1071505904.db2.gz CNJRIDAZEODWBG-HSZRJFAPSA-N 1 0 452.647 3.702 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313898924 1071506516 /nfs/dbraw/zinc/50/65/16/1071506516.db2.gz DOGKZLQLOVAZGL-GXRSIYKFSA-N 1 0 490.693 3.786 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313898921 1071506557 /nfs/dbraw/zinc/50/65/57/1071506557.db2.gz DOGKZLQLOVAZGL-CIAFKFPVSA-N 1 0 490.693 3.786 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001314991223 1071506600 /nfs/dbraw/zinc/50/66/00/1071506600.db2.gz SRDNWCAJXMBAJP-RBUKOAKNSA-N 1 0 489.064 3.692 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)nnc2C(C)(C)C)C1 ZINC001313899632 1071508077 /nfs/dbraw/zinc/50/80/77/1071508077.db2.gz WOFGTPMFJYOJLI-LJQANCHMSA-N 1 0 473.065 3.923 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001313899622 1071508091 /nfs/dbraw/zinc/50/80/91/1071508091.db2.gz WKYXXRNZPJEHFK-MRXNPFEDSA-N 1 0 451.518 3.852 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CCCCCO ZINC001313900912 1071510489 /nfs/dbraw/zinc/51/04/89/1071510489.db2.gz CYPIIWYCZVFMHT-QGZVFWFLSA-N 1 0 450.425 3.791 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001313901181 1071510966 /nfs/dbraw/zinc/51/09/66/1071510966.db2.gz RAVRWJUFZXUCFT-IBGZPJMESA-N 1 0 467.511 3.840 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001313901833 1071512602 /nfs/dbraw/zinc/51/26/02/1071512602.db2.gz HXJKMHMWQNPTKK-FQEVSTJZSA-N 1 0 469.634 3.626 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313902682 1071514218 /nfs/dbraw/zinc/51/42/18/1071514218.db2.gz IIOYERKVDNTWHM-OAQYLSRUSA-N 1 0 470.687 3.845 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001313903063 1071515152 /nfs/dbraw/zinc/51/51/52/1071515152.db2.gz LMFPOIHUSRPARO-DEOSSOPVSA-N 1 0 482.673 3.852 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001313903951 1071516742 /nfs/dbraw/zinc/51/67/42/1071516742.db2.gz GFMUWOKIXCROSQ-FGZHOGPDSA-N 1 0 468.646 3.883 20 0 JHADRO CNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001314998400 1071518095 /nfs/dbraw/zinc/51/80/95/1071518095.db2.gz ILEFBKWYYDMLFU-QFIPXVFZSA-N 1 0 452.647 3.666 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1SC ZINC001313904614 1071518304 /nfs/dbraw/zinc/51/83/04/1071518304.db2.gz RIUXXGXFXCEPBQ-NRFANRHFSA-N 1 0 453.660 3.982 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001313904728 1071519767 /nfs/dbraw/zinc/51/97/67/1071519767.db2.gz LGTXXLQDSLVDHV-SFTDATJTSA-N 1 0 457.598 3.815 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313906250 1071524050 /nfs/dbraw/zinc/52/40/50/1071524050.db2.gz VRLCKOZLLLDAQV-ZCNNSNEGSA-N 1 0 488.608 3.709 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313905602 1071522130 /nfs/dbraw/zinc/52/21/30/1071522130.db2.gz VZZRTNABYBDDDS-VWNXMTODSA-N 1 0 471.646 3.588 20 0 JHADRO CNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001315000557 1071522175 /nfs/dbraw/zinc/52/21/75/1071522175.db2.gz PTHGSKXSGPTGJH-UHFFFAOYSA-N 1 0 477.657 3.883 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313907236 1071526762 /nfs/dbraw/zinc/52/67/62/1071526762.db2.gz ARLCDNJVNZDIKZ-GAJHUEQPSA-N 1 0 463.001 3.574 20 0 JHADRO CNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315004739 1071530963 /nfs/dbraw/zinc/53/09/63/1071530963.db2.gz QZYFCFJXCAWEQK-KDURUIRLSA-N 1 0 472.703 3.649 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCNC(=O)C(C)C ZINC001313907436 1071527520 /nfs/dbraw/zinc/52/75/20/1071527520.db2.gz FJAHEMYJBBDWMC-HXUWFJFHSA-N 1 0 452.603 3.774 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313908377 1071530147 /nfs/dbraw/zinc/53/01/47/1071530147.db2.gz NEJZCKWEOSUXMK-AZUAARDMSA-N 1 0 486.642 3.566 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313909234 1071531797 /nfs/dbraw/zinc/53/17/97/1071531797.db2.gz PZYWCJUBXQVLOY-DHIUTWEWSA-N 1 0 482.673 3.946 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313909622 1071533278 /nfs/dbraw/zinc/53/32/78/1071533278.db2.gz RQGWKQCDSBNVIT-XMMPIXPASA-N 1 0 496.700 3.641 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001313910095 1071534643 /nfs/dbraw/zinc/53/46/43/1071534643.db2.gz UYGRLCPRLIDNLR-IOMROCGXSA-N 1 0 492.462 3.822 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC(N)=O ZINC001313910138 1071534686 /nfs/dbraw/zinc/53/46/86/1071534686.db2.gz VHNCXGLUOBLZAD-HOCLYGCPSA-N 1 0 453.418 3.826 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001313910453 1071535283 /nfs/dbraw/zinc/53/52/83/1071535283.db2.gz KIKXFLCSQMMCMJ-INIZCTEOSA-N 1 0 450.513 3.536 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001313910572 1071535662 /nfs/dbraw/zinc/53/56/62/1071535662.db2.gz WZFOKRLCRADJLB-JKSUJKDBSA-N 1 0 495.491 3.735 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313910999 1071536913 /nfs/dbraw/zinc/53/69/13/1071536913.db2.gz XVGWFVNPGVQHFX-FQEVSTJZSA-N 1 0 463.630 3.719 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1F ZINC001313910856 1071537135 /nfs/dbraw/zinc/53/71/35/1071537135.db2.gz ZVJPWFGMSSUQOX-IBGZPJMESA-N 1 0 470.618 3.920 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001313910836 1071537192 /nfs/dbraw/zinc/53/71/92/1071537192.db2.gz ZQRMPFWKFIJEBO-VWNXMTODSA-N 1 0 466.674 3.631 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC(NC(=O)c3ccsc3)CC2)nnc1C(C)(C)C ZINC001313913068 1071541863 /nfs/dbraw/zinc/54/18/63/1071541863.db2.gz KEJQAFMKDYFGAB-FQEVSTJZSA-N 1 0 458.676 3.910 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313911811 1071538449 /nfs/dbraw/zinc/53/84/49/1071538449.db2.gz RGHAIEIOCFOEAI-CZTZKLFOSA-N 1 0 483.661 3.872 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001313912115 1071538492 /nfs/dbraw/zinc/53/84/92/1071538492.db2.gz MMKORZHCSVHQTG-VXKWHMMOSA-N 1 0 468.646 3.657 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313911963 1071539030 /nfs/dbraw/zinc/53/90/30/1071539030.db2.gz GDLNFNWMWCUHPH-QFIPXVFZSA-N 1 0 468.646 3.522 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001313913848 1071544894 /nfs/dbraw/zinc/54/48/94/1071544894.db2.gz ZOBSIHXGLBFNPE-MRXNPFEDSA-N 1 0 493.475 3.971 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCc1cnccn1 ZINC001313913764 1071545015 /nfs/dbraw/zinc/54/50/15/1071545015.db2.gz LSNRLEGSKHUCTJ-QHCPKHFHSA-N 1 0 463.630 3.817 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313914363 1071546772 /nfs/dbraw/zinc/54/67/72/1071546772.db2.gz MSMUXGLMLNDWCQ-HFZDXXHNSA-N 1 0 477.694 3.977 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315024193 1071546824 /nfs/dbraw/zinc/54/68/24/1071546824.db2.gz MENKZMIOQDLJNK-FQEVSTJZSA-N 1 0 484.664 3.871 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](OC)C1 ZINC001313914833 1071548824 /nfs/dbraw/zinc/54/88/24/1071548824.db2.gz OEVUKDKKYOFYGI-QUCCMNQESA-N 1 0 478.435 3.719 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313915793 1071550417 /nfs/dbraw/zinc/55/04/17/1071550417.db2.gz SRWFVWIYFOOQGU-PMACEKPBSA-N 1 0 487.670 3.843 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313915483 1071550449 /nfs/dbraw/zinc/55/04/49/1071550449.db2.gz SKNVIDNMBBLOJC-LEWJYISDSA-N 1 0 476.666 3.840 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313915821 1071551449 /nfs/dbraw/zinc/55/14/49/1071551449.db2.gz TZTMYPHOQJZHRF-IBVKSMDESA-N 1 0 487.645 3.978 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccc3OC)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001313915779 1071551548 /nfs/dbraw/zinc/55/15/48/1071551548.db2.gz LIUUVMCNGFYVHL-SZPZYZBQSA-N 1 0 482.673 3.770 20 0 JHADRO CCN1CCCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[N@H+](C)C(C)C)CC1=O ZINC001313916350 1071552614 /nfs/dbraw/zinc/55/26/14/1071552614.db2.gz AALVAYWEMLQQNL-UHFFFAOYSA-N 1 0 458.676 3.674 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001315027794 1071554919 /nfs/dbraw/zinc/55/49/19/1071554919.db2.gz ABEBDXRWNQXNHZ-DEOSSOPVSA-N 1 0 475.641 3.756 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001315027953 1071554995 /nfs/dbraw/zinc/55/49/95/1071554995.db2.gz ZMHSOVUFAGWHCL-DEOSSOPVSA-N 1 0 466.674 3.536 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313919413 1071556755 /nfs/dbraw/zinc/55/67/55/1071556755.db2.gz AVJSTNMKCBWMOT-SFHLNBCPSA-N 1 0 476.666 3.525 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313919439 1071556865 /nfs/dbraw/zinc/55/68/65/1071556865.db2.gz BNLCEIHIENTZSW-INIZCTEOSA-N 1 0 490.450 3.600 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001315028962 1071557489 /nfs/dbraw/zinc/55/74/89/1071557489.db2.gz QYUFZVXNLPYWPS-JOCHJYFZSA-N 1 0 451.619 3.509 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(Cc2ccccc2C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315030137 1071558802 /nfs/dbraw/zinc/55/88/02/1071558802.db2.gz QPHLYQDQZMFJMD-FNZWTVRRSA-N 1 0 454.663 3.650 20 0 JHADRO CNC(=O)CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CC[NH+](C2CC2)CC1 ZINC001315031360 1071561028 /nfs/dbraw/zinc/56/10/28/1071561028.db2.gz KJNALCPJGJKKNL-KRWDZBQOSA-N 1 0 475.037 3.518 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccccn2)CC1 ZINC001313921202 1071561305 /nfs/dbraw/zinc/56/13/05/1071561305.db2.gz OZGNEUYOXBEYMK-RTWAWAEBSA-N 1 0 481.620 3.615 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001313921772 1071562519 /nfs/dbraw/zinc/56/25/19/1071562519.db2.gz SHDNMBTYULCULI-LJQANCHMSA-N 1 0 454.594 3.956 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC001313922287 1071563688 /nfs/dbraw/zinc/56/36/88/1071563688.db2.gz UXPLUNRFYNQHDD-HNNXBMFYSA-N 1 0 470.506 3.749 20 0 JHADRO CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001313922920 1071565749 /nfs/dbraw/zinc/56/57/49/1071565749.db2.gz YOAKYVJXOUOZIW-OAHLLOKOSA-N 1 0 469.859 3.843 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)C2CCC2)CC1 ZINC001313924272 1071569505 /nfs/dbraw/zinc/56/95/05/1071569505.db2.gz DBMWOXIZDQZVAT-FQEVSTJZSA-N 1 0 470.662 3.756 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001313924451 1071570853 /nfs/dbraw/zinc/57/08/53/1071570853.db2.gz GFSQFUZQBUXYDF-MRXNPFEDSA-N 1 0 485.986 3.798 20 0 JHADRO CNC(=O)CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001315038706 1071571310 /nfs/dbraw/zinc/57/13/10/1071571310.db2.gz BXLATEPNVKMNNS-IBGZPJMESA-N 1 0 470.662 3.557 20 0 JHADRO CNC(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001315043881 1071575632 /nfs/dbraw/zinc/57/56/32/1071575632.db2.gz NROKWOSCNQITSI-LEWJYISDSA-N 1 0 486.636 3.642 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313924808 1071571993 /nfs/dbraw/zinc/57/19/93/1071571993.db2.gz JCANUUFWULJOHN-GJZUVCINSA-N 1 0 454.663 3.675 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313926458 1071576771 /nfs/dbraw/zinc/57/67/71/1071576771.db2.gz CJJDRFISSPYSFX-NZQKXSOJSA-N 1 0 490.693 3.600 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313926778 1071577471 /nfs/dbraw/zinc/57/74/71/1071577471.db2.gz YCLFFTCGESVDGT-OALUTQOASA-N 1 0 461.054 3.628 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CCC(Oc4ccc(F)cc4F)CC3)nnc2C(C)(C)C)CC1 ZINC001313926753 1071577559 /nfs/dbraw/zinc/57/75/59/1071577559.db2.gz GEVMYQNKLKYZST-LJQANCHMSA-N 1 0 490.643 3.928 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313927343 1071579961 /nfs/dbraw/zinc/57/99/61/1071579961.db2.gz JSGJBKBUDHOTSM-VQTJNVASSA-N 1 0 483.611 3.766 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313928004 1071581785 /nfs/dbraw/zinc/58/17/85/1071581785.db2.gz MVZAQPSAUHJTGI-ILBGXUMGSA-N 1 0 498.716 3.710 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001313927855 1071582000 /nfs/dbraw/zinc/58/20/00/1071582000.db2.gz PCTKYYYAONNBHD-REWPJTCUSA-N 1 0 454.663 3.736 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001315057322 1071582462 /nfs/dbraw/zinc/58/24/62/1071582462.db2.gz RILVRVAGZDQRKL-UHFFFAOYSA-N 1 0 467.662 3.578 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001313928108 1071582598 /nfs/dbraw/zinc/58/25/98/1071582598.db2.gz QEEITJHACSWUAC-UPVQGACJSA-N 1 0 486.730 3.766 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NC(C)C)C[C@@H]1C ZINC001313928302 1071583185 /nfs/dbraw/zinc/58/31/85/1071583185.db2.gz ACUYTIPKMSSCJH-OALUTQOASA-N 1 0 477.053 3.743 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001313929578 1071586765 /nfs/dbraw/zinc/58/67/65/1071586765.db2.gz SMZRASHLULJLRJ-NRFANRHFSA-N 1 0 481.689 3.628 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)c2ccco2)C[C@H]1C ZINC001313929667 1071587537 /nfs/dbraw/zinc/58/75/37/1071587537.db2.gz ICSKWNJYXFVVLI-YTZAWJCFSA-N 1 0 457.550 3.588 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CSCCS2)C[C@@H]1C ZINC001313930300 1071589460 /nfs/dbraw/zinc/58/94/60/1071589460.db2.gz BLCPTHKRVLVPPZ-MAUKXSAKSA-N 1 0 469.627 3.926 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2cc(Br)ccc2F)C[C@@H]1C ZINC001313930649 1071590039 /nfs/dbraw/zinc/59/00/39/1071590039.db2.gz NSMTYNSKCUNEHL-DLBZAZTESA-N 1 0 498.441 3.677 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(Cc4ccccc4F)nnc3N(C)CC(F)(F)F)cn2)CC1 ZINC001313931125 1071591012 /nfs/dbraw/zinc/59/10/12/1071591012.db2.gz AEGJBLKDBGRXMM-UHFFFAOYSA-N 1 0 491.537 3.592 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001313931775 1071593562 /nfs/dbraw/zinc/59/35/62/1071593562.db2.gz ZRUGUIBBBRWNIC-YPAWHYETSA-N 1 0 456.704 3.534 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)CCC(C)C)C[C@@H]1C ZINC001313932278 1071594905 /nfs/dbraw/zinc/59/49/05/1071594905.db2.gz HUUIMPOSDRZXEH-HTAPYJJXSA-N 1 0 481.483 3.764 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(F)c(F)c2F)C[C@@H]1C ZINC001313932563 1071595541 /nfs/dbraw/zinc/59/55/41/1071595541.db2.gz IHTBSALGUJSVKW-XDHUDOTRSA-N 1 0 481.563 3.509 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001313933054 1071596836 /nfs/dbraw/zinc/59/68/36/1071596836.db2.gz ZCKWVDDNGGBVOW-JTHBVZDNSA-N 1 0 484.689 3.676 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@H](C)COC)C[C@@H]1C ZINC001313933695 1071599149 /nfs/dbraw/zinc/59/91/49/1071599149.db2.gz QATQFYMWVSWOTR-PMACEKPBSA-N 1 0 453.587 3.930 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313934193 1071601231 /nfs/dbraw/zinc/60/12/31/1071601231.db2.gz QIQGCXRNLYHGEB-OALUTQOASA-N 1 0 472.634 3.740 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CC=CCO2)C[C@H]1C ZINC001313934700 1071602974 /nfs/dbraw/zinc/60/29/74/1071602974.db2.gz VBMYPVMXYRCYST-HUUCEWRRSA-N 1 0 452.422 3.645 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(C)C2CC2)C[C@H]1C ZINC001313934741 1071603004 /nfs/dbraw/zinc/60/30/04/1071603004.db2.gz VIMJMOCBWZQKAK-GOSISDBHSA-N 1 0 459.660 3.705 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCO[C@@H]2C(C)C)C[C@@H]1C ZINC001313935186 1071605459 /nfs/dbraw/zinc/60/54/59/1071605459.db2.gz FJXRTIJMJXVDGN-MZLICYQSSA-N 1 0 471.646 3.944 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCCC2(C)C)C[C@H]1C ZINC001313935461 1071605936 /nfs/dbraw/zinc/60/59/36/1071605936.db2.gz WYYMLHSSAZQIKA-OPAMFIHVSA-N 1 0 479.467 3.518 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C)CCOCC2)C[C@@H]1C ZINC001313936414 1071608007 /nfs/dbraw/zinc/60/80/07/1071608007.db2.gz FQLKUZUSCLXPCY-FQEVSTJZSA-N 1 0 490.693 3.740 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001313936473 1071608492 /nfs/dbraw/zinc/60/84/92/1071608492.db2.gz OLNJDCIBZDYXPK-MRXNPFEDSA-N 1 0 487.004 3.598 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2CCc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC001313936727 1071609050 /nfs/dbraw/zinc/60/90/50/1071609050.db2.gz IBDOJQZHTFSGDA-GOSISDBHSA-N 1 0 459.635 3.666 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001313937299 1071610255 /nfs/dbraw/zinc/61/02/55/1071610255.db2.gz DVSPPJCZMLHWTL-OXQOHEQNSA-N 1 0 464.536 3.935 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313937458 1071610896 /nfs/dbraw/zinc/61/08/96/1071610896.db2.gz UQIPWXRGNUMNFY-INIZCTEOSA-N 1 0 456.978 3.589 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCc2c[nH]nc2C)C[C@@H]1C ZINC001313937882 1071611478 /nfs/dbraw/zinc/61/14/78/1071611478.db2.gz WRUSRQYVQUAZLY-INIZCTEOSA-N 1 0 458.010 3.802 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2CCCOc2ccc(OC)cc2)C[C@@H]1C ZINC001313940958 1071615674 /nfs/dbraw/zinc/61/56/74/1071615674.db2.gz QQXOVPQZMBLXSA-IBGZPJMESA-N 1 0 455.628 3.939 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313939483 1071613341 /nfs/dbraw/zinc/61/33/41/1071613341.db2.gz BEOABMNIJWZWDD-RBBKRZOGSA-N 1 0 478.607 3.868 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)c2cccs2)C[C@H]1C ZINC001313940111 1071613992 /nfs/dbraw/zinc/61/39/92/1071613992.db2.gz VMXMUXBYLMORPA-MRXNPFEDSA-N 1 0 459.019 3.620 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C)cc2OCCOC)C[C@@H]1C ZINC001313940232 1071614067 /nfs/dbraw/zinc/61/40/67/1071614067.db2.gz KTMIHFSHOGPEHJ-NRFANRHFSA-N 1 0 455.647 3.923 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C ZINC001313941551 1071617429 /nfs/dbraw/zinc/61/74/29/1071617429.db2.gz WPOMLVKUWWSISF-QGZVFWFLSA-N 1 0 489.690 3.564 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313942069 1071618823 /nfs/dbraw/zinc/61/88/23/1071618823.db2.gz HIWLBRLGGXAYCM-AZUAARDMSA-N 1 0 469.552 3.972 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNc2ccccn2)C[C@H]1C ZINC001313945528 1071626808 /nfs/dbraw/zinc/62/68/08/1071626808.db2.gz IRIILWIYMOSOFE-LJQANCHMSA-N 1 0 454.022 3.950 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2ccc(OC)cc2)C[C@@H]1C ZINC001313943644 1071623712 /nfs/dbraw/zinc/62/37/12/1071623712.db2.gz UJYFONDYXDAHFU-JTAQYXEDSA-N 1 0 471.646 3.519 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCN2CCOCC2)C[C@@H]1C ZINC001313943960 1071623905 /nfs/dbraw/zinc/62/39/05/1071623905.db2.gz XNYLOFWHLBJRPL-QHCPKHFHSA-N 1 0 484.689 3.542 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)COc2ccccc2OC)C[C@@H]1C ZINC001313945111 1071625672 /nfs/dbraw/zinc/62/56/72/1071625672.db2.gz YINGCMYFBROZJU-FPOVZHCZSA-N 1 0 464.614 3.903 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CSc4ccc(C)cc4)n3CCOC(C)C)C2)CC1 ZINC001313947864 1071632797 /nfs/dbraw/zinc/63/27/97/1071632797.db2.gz DBPWEUUFUVNEQW-JOCHJYFZSA-N 1 0 472.703 3.520 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(CSC)c3)C2)CC1 ZINC001313948174 1071633325 /nfs/dbraw/zinc/63/33/25/1071633325.db2.gz PIGFGPJZERZSKC-QHCPKHFHSA-N 1 0 470.731 3.994 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CSc4ccc(Cl)cc4)n3C[C@](C)(O)CC)C2)CC1 ZINC001313948745 1071634469 /nfs/dbraw/zinc/63/44/69/1071634469.db2.gz HPWSYRDFLODOAJ-GBXCKJPGSA-N 1 0 493.121 3.601 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC[C@](C)(CC)O2)C[C@@H]1C ZINC001313948948 1071635262 /nfs/dbraw/zinc/63/52/62/1071635262.db2.gz MPQMZPMSVVZKTD-JTJYXVOQSA-N 1 0 457.619 3.744 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001313952341 1071645174 /nfs/dbraw/zinc/64/51/74/1071645174.db2.gz ZCTKYJFILHNHTA-PWRODBHTSA-N 1 0 491.080 3.570 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001313951354 1071641743 /nfs/dbraw/zinc/64/17/43/1071641743.db2.gz GVWREHITTBDKNR-PGRDOPGGSA-N 1 0 479.044 3.832 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313951493 1071642401 /nfs/dbraw/zinc/64/24/01/1071642401.db2.gz ISFJPGGCECQXLK-KSEOMHKRSA-N 1 0 496.691 3.952 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313952957 1071647162 /nfs/dbraw/zinc/64/71/62/1071647162.db2.gz VKDAWKUQPLBSGQ-RJGXRXQPSA-N 1 0 486.730 3.766 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)Cc2ccccc2Cl)CC1 ZINC001313953297 1071648481 /nfs/dbraw/zinc/64/84/81/1071648481.db2.gz JPOVYKHTZURUPE-HXUWFJFHSA-N 1 0 468.049 3.904 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001313953560 1071648931 /nfs/dbraw/zinc/64/89/31/1071648931.db2.gz ICKLANQYZIHTFR-UHFFFAOYSA-N 1 0 472.037 3.949 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC3CCCC3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CC1 ZINC001313953734 1071649428 /nfs/dbraw/zinc/64/94/28/1071649428.db2.gz JDYWYKVTJWGFLB-NRFANRHFSA-N 1 0 499.670 3.501 20 0 JHADRO CCN1CC[NH+](CCCCn2c(N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001313953721 1071649456 /nfs/dbraw/zinc/64/94/56/1071649456.db2.gz IOJITHWMUNJDJD-JTMIDMFHSA-N 1 0 488.746 3.928 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCC(n3cc(Cl)cn3)CC2)CC1 ZINC001313954152 1071650646 /nfs/dbraw/zinc/65/06/46/1071650646.db2.gz OEQOKPZQMDWUAK-UHFFFAOYSA-N 1 0 491.128 3.976 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC001313954428 1071651803 /nfs/dbraw/zinc/65/18/03/1071651803.db2.gz QPKIRZGJLKDSIY-DEOSSOPVSA-N 1 0 472.653 3.611 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313955053 1071654245 /nfs/dbraw/zinc/65/42/45/1071654245.db2.gz DTOWZLMPBFKJFQ-TZIWHRDSSA-N 1 0 478.607 3.763 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3OC)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001313955651 1071656052 /nfs/dbraw/zinc/65/60/52/1071656052.db2.gz YBUORHQLZXBPAT-SFTDATJTSA-N 1 0 472.703 3.702 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccccc3C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001313957419 1071660048 /nfs/dbraw/zinc/66/00/48/1071660048.db2.gz FZXYKLPYYVOZAO-UHFFFAOYSA-N 1 0 492.590 3.629 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CC[C@H](COc3ccccc3)C2)CC1 ZINC001313957469 1071660672 /nfs/dbraw/zinc/66/06/72/1071660672.db2.gz UUTQGKYMHCRTBA-QHCPKHFHSA-N 1 0 468.690 3.800 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313957919 1071661849 /nfs/dbraw/zinc/66/18/49/1071661849.db2.gz SBVSDERGOUVAIU-HJOGWXRNSA-N 1 0 482.717 3.828 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccccc3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001313958497 1071664088 /nfs/dbraw/zinc/66/40/88/1071664088.db2.gz SNVZZSGOPHRUPT-UHFFFAOYSA-N 1 0 450.553 3.751 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313958959 1071665194 /nfs/dbraw/zinc/66/51/94/1071665194.db2.gz YQNWWONLSUJZKN-UHFFFAOYSA-N 1 0 494.869 3.510 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3C)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001313960197 1071669213 /nfs/dbraw/zinc/66/92/13/1071669213.db2.gz FQEICYLWYFODFK-YADHBBJMSA-N 1 0 456.704 3.535 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3C)nnc2N(C)[C@@H](C)c2ccco2)CC1 ZINC001313960110 1071669369 /nfs/dbraw/zinc/66/93/69/1071669369.db2.gz DQYOYDCAHNUBSN-QFIPXVFZSA-N 1 0 450.631 3.995 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001313960741 1071670397 /nfs/dbraw/zinc/67/03/97/1071670397.db2.gz MCJROZNKYUDGBI-VWLOTQADSA-N 1 0 491.080 3.543 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313961030 1071671640 /nfs/dbraw/zinc/67/16/40/1071671640.db2.gz PDLRVDFHCFTUJB-QFIPXVFZSA-N 1 0 484.689 3.766 20 0 JHADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2Cc3cc(Br)ccc3[C@@H](C)C2)CC1 ZINC001313961494 1071672270 /nfs/dbraw/zinc/67/22/70/1071672270.db2.gz UKGDQLFZTSYWKJ-KRWDZBQOSA-N 1 0 461.452 3.500 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(OC)c3)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001313961555 1071672692 /nfs/dbraw/zinc/67/26/92/1071672692.db2.gz VEIFNUNQHHEMFE-JOCHJYFZSA-N 1 0 452.647 3.774 20 0 JHADRO CCNC(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CCC1 ZINC001313975338 1071705441 /nfs/dbraw/zinc/70/54/41/1071705441.db2.gz PIMVGFXIMPFKGC-MSOLQXFVSA-N 1 0 459.038 3.824 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@H](C)CC)n2C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC001313995000 1071730800 /nfs/dbraw/zinc/73/08/00/1071730800.db2.gz LBXHWLRJUKTQCI-NFBKMPQASA-N 1 0 467.662 3.554 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC001313995009 1071730874 /nfs/dbraw/zinc/73/08/74/1071730874.db2.gz LBXHWLRJUKTQCI-REWPJTCUSA-N 1 0 467.662 3.554 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001313993422 1071727341 /nfs/dbraw/zinc/72/73/41/1071727341.db2.gz JXSCQKKMFVNCOB-OAHLLOKOSA-N 1 0 476.050 3.615 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+](C)[C@H](C)CC)CC1 ZINC001313996175 1071733072 /nfs/dbraw/zinc/73/30/72/1071733072.db2.gz SFCRUMIZWSREQV-RTBURBONSA-N 1 0 492.068 3.653 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001314004836 1071741179 /nfs/dbraw/zinc/74/11/79/1071741179.db2.gz OSDVXWNKHBVFQA-GOSISDBHSA-N 1 0 494.109 3.806 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(C)n2CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001314007925 1071743873 /nfs/dbraw/zinc/74/38/73/1071743873.db2.gz JXYMQMNOZFQKCW-NFBKMPQASA-N 1 0 468.646 3.944 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(COc3ccccc3CC)n2CC2([NH+](C)C)CCC2)CC1 ZINC001314017146 1071762630 /nfs/dbraw/zinc/76/26/30/1071762630.db2.gz RGLWWAKMKLCNEM-UHFFFAOYSA-N 1 0 498.672 3.961 20 0 JHADRO CCOC(=O)N1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001314017732 1071763669 /nfs/dbraw/zinc/76/36/69/1071763669.db2.gz RVIWYATVJYVFIM-OAQYLSRUSA-N 1 0 454.619 3.583 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(Cc3cccnc3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001314018512 1071765778 /nfs/dbraw/zinc/76/57/78/1071765778.db2.gz PGYVRNMPDHAGQK-UHFFFAOYSA-N 1 0 497.688 3.833 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCCCCC2)CC1 ZINC001314019861 1071769454 /nfs/dbraw/zinc/76/94/54/1071769454.db2.gz NGCDFQHLOURXJW-UHFFFAOYSA-N 1 0 479.000 3.892 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001314020771 1071772779 /nfs/dbraw/zinc/77/27/79/1071772779.db2.gz YGLIAIOFQHODGQ-FQEVSTJZSA-N 1 0 475.037 3.997 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001314022490 1071776372 /nfs/dbraw/zinc/77/63/72/1071776372.db2.gz APSUKJPFWCKKRV-JOCHJYFZSA-N 1 0 486.661 3.729 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314025257 1071785577 /nfs/dbraw/zinc/78/55/77/1071785577.db2.gz LKDNTRDWUCEAEV-OALUTQOASA-N 1 0 490.599 3.546 20 0 JHADRO CCOC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001314024953 1071784377 /nfs/dbraw/zinc/78/43/77/1071784377.db2.gz UCALYEOMCNCDTR-QHAWAJNXSA-N 1 0 490.693 3.596 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccccc2C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001314026259 1071788324 /nfs/dbraw/zinc/78/83/24/1071788324.db2.gz LTJHUBURHVVNOY-RTWAWAEBSA-N 1 0 456.635 3.945 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CC=CCC2)C1 ZINC001314030468 1071801926 /nfs/dbraw/zinc/80/19/26/1071801926.db2.gz CSGDRXYGNAEKMO-LJQANCHMSA-N 1 0 490.555 3.523 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001314031516 1071805998 /nfs/dbraw/zinc/80/59/98/1071805998.db2.gz ZFRFKFGJEJJHSO-KSEOMHKRSA-N 1 0 484.645 3.787 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001314031186 1071804628 /nfs/dbraw/zinc/80/46/28/1071804628.db2.gz GBDJDDVUDOMPFL-NHCUHLMSSA-N 1 0 466.586 3.864 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)CC)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001314032556 1071809875 /nfs/dbraw/zinc/80/98/75/1071809875.db2.gz BKYBFQWLIZYTFU-IEBWSBKVSA-N 1 0 460.648 3.626 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001314035218 1071821648 /nfs/dbraw/zinc/82/16/48/1071821648.db2.gz WGLMNUATDVFZMH-YLJYHZDGSA-N 1 0 461.010 3.655 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001314036125 1071825793 /nfs/dbraw/zinc/82/57/93/1071825793.db2.gz CXUPNLKOFTVCLC-LEWJYISDSA-N 1 0 475.037 3.577 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314038576 1071835547 /nfs/dbraw/zinc/83/55/47/1071835547.db2.gz RHANMBPFYMZZAH-XJUOHMSHSA-N 1 0 497.688 3.735 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[NH+](CC)CC)C1 ZINC001314037780 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KXOVNFNYNOFMHK-DEOSSOPVSA-N 1 0 494.606 3.583 20 0 JHADRO CCc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001306128846 1068533437 /nfs/dbraw/zinc/53/34/37/1068533437.db2.gz QGPSNEQNFNGPNR-CTNGQTDRSA-N 1 0 464.580 3.826 20 0 JHADRO CCc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001306131048 1068534718 /nfs/dbraw/zinc/53/47/18/1068534718.db2.gz JPGRWLSAWDHURU-JOCHJYFZSA-N 1 0 466.674 3.980 20 0 JHADRO CCc1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001306136460 1068539678 /nfs/dbraw/zinc/53/96/78/1068539678.db2.gz MUNOWGZNSUUUQD-XMMPIXPASA-N 1 0 465.646 3.882 20 0 JHADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001306139526 1068541319 /nfs/dbraw/zinc/54/13/19/1068541319.db2.gz IRHWBUKPHIJMRI-AZSVPQILSA-N 1 0 471.642 3.773 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001306141193 1068542376 /nfs/dbraw/zinc/54/23/76/1068542376.db2.gz DENLTHBYOPTUSO-UHFFFAOYSA-N 1 0 456.635 3.571 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001306142844 1068544754 /nfs/dbraw/zinc/54/47/54/1068544754.db2.gz FPOWVZDICQDZKY-OAQYLSRUSA-N 1 0 466.655 3.912 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001306142925 1068544807 /nfs/dbraw/zinc/54/48/07/1068544807.db2.gz FXHOJDHXBGHDAJ-NRFANRHFSA-N 1 0 470.618 3.743 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001306157264 1068555194 /nfs/dbraw/zinc/55/51/94/1068555194.db2.gz NVEIMIYYVCYDJM-LEWJYISDSA-N 1 0 453.635 3.664 20 0 JHADRO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001306158133 1068555806 /nfs/dbraw/zinc/55/58/06/1068555806.db2.gz UCHBAJCHBHEGAL-QFIPXVFZSA-N 1 0 467.662 3.911 20 0 JHADRO CCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCC(=O)NCc1ccccc1 ZINC001306165864 1068561695 /nfs/dbraw/zinc/56/16/95/1068561695.db2.gz SZBBFXWRPSQHOT-JTHBVZDNSA-N 1 0 452.647 3.638 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001306178968 1068568625 /nfs/dbraw/zinc/56/86/25/1068568625.db2.gz HXVQPBOERNWRLW-VQTJNVASSA-N 1 0 473.065 3.967 20 0 JHADRO CCc1nnc(N2CCCN(c3nccs3)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001306179491 1068569731 /nfs/dbraw/zinc/56/97/31/1068569731.db2.gz UQRHHNVPOPJAQQ-HXUWFJFHSA-N 1 0 453.660 3.924 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001306184706 1068575535 /nfs/dbraw/zinc/57/55/35/1068575535.db2.gz PALVNHGXHIVRBH-LJQANCHMSA-N 1 0 459.038 3.721 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001306185858 1068576282 /nfs/dbraw/zinc/57/62/82/1068576282.db2.gz TYZGBDMWZRQUIH-QFIPXVFZSA-N 1 0 473.065 3.967 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306186341 1068577966 /nfs/dbraw/zinc/57/79/66/1068577966.db2.gz ZQUOCLJSNJRMGG-SZPZYZBQSA-N 1 0 466.674 3.868 20 0 JHADRO 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CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cc(OC)ccc2Br)n1CC[N@H+](C)CCOC ZINC001306285449 1068703295 /nfs/dbraw/zinc/70/32/95/1068703295.db2.gz FXGKJPBVOUERQO-IAGOWNOFSA-N 1 0 480.451 3.919 20 0 JHADRO CC[C@H]1C[C@@H](C)CN1c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCSCC1 ZINC001306296526 1068713822 /nfs/dbraw/zinc/71/38/22/1068713822.db2.gz RZZYKBJWXLIYOP-ZBFHGGJFSA-N 1 0 453.454 3.709 20 0 JHADRO CC[C@@H]1C[C@H](C)CN1c1nnc(CCOc2ccccc2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001306301682 1068718416 /nfs/dbraw/zinc/71/84/16/1068718416.db2.gz ZPKOTGBYJLTZDK-ZDXQCDESSA-N 1 0 455.647 3.881 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001306316319 1068736181 /nfs/dbraw/zinc/73/61/81/1068736181.db2.gz FMPSZVLQWYBVNL-HXUWFJFHSA-N 1 0 492.615 3.614 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(N)=O)CC1 ZINC001306316898 1068736710 /nfs/dbraw/zinc/73/67/10/1068736710.db2.gz HKKZZEJSBCRREF-ICSRJNTNSA-N 1 0 472.609 3.523 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(N)=O)CC1 ZINC001306316899 1068736864 /nfs/dbraw/zinc/73/68/64/1068736864.db2.gz HKKZZEJSBCRREF-QUCCMNQESA-N 1 0 472.609 3.523 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](SC)C1 ZINC001306317540 1068738211 /nfs/dbraw/zinc/73/82/11/1068738211.db2.gz KBSOLMRDEDEGJQ-WOJBJXKFSA-N 1 0 471.675 3.912 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001306317509 1068738240 /nfs/dbraw/zinc/73/82/40/1068738240.db2.gz JOXBUAUFOSABKR-PKTZIBPZSA-N 1 0 467.662 3.762 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001306318579 1068741948 /nfs/dbraw/zinc/74/19/48/1068741948.db2.gz HCXVZCPQPBLESU-NRFANRHFSA-N 1 0 473.687 3.922 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](COC)C1 ZINC001306318430 1068742190 /nfs/dbraw/zinc/74/21/90/1068742190.db2.gz NSVNIXYEKIXVJK-FPOVZHCZSA-N 1 0 479.572 3.663 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C)C1 ZINC001306319612 1068745991 /nfs/dbraw/zinc/74/59/91/1068745991.db2.gz VLDFKAJLVMTECJ-FUHWJXTLSA-N 1 0 465.440 3.536 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Cl)s1 ZINC001306319599 1068746110 /nfs/dbraw/zinc/74/61/10/1068746110.db2.gz VAXFAWCONQUCND-CVEARBPZSA-N 1 0 489.111 3.504 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001306320222 1068747976 /nfs/dbraw/zinc/74/79/76/1068747976.db2.gz RPGOZMRPRJZPDH-SCTDSRPQSA-N 1 0 454.541 3.704 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001306320296 1068748707 /nfs/dbraw/zinc/74/87/07/1068748707.db2.gz SWSVGHHVMLOWDU-OAQYLSRUSA-N 1 0 488.080 3.953 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccsc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001306321766 1068752344 /nfs/dbraw/zinc/75/23/44/1068752344.db2.gz BQWDWZUHYFMKSV-XJUOHMSHSA-N 1 0 474.719 3.740 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC ZINC001306322878 1068755094 /nfs/dbraw/zinc/75/50/94/1068755094.db2.gz MTSIREFWMTYVPI-OALUTQOASA-N 1 0 451.619 3.509 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001306324085 1068759048 /nfs/dbraw/zinc/75/90/48/1068759048.db2.gz NHXOBJHRBWBXEB-QHCPKHFHSA-N 1 0 466.674 3.765 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001306324705 1068759776 /nfs/dbraw/zinc/75/97/76/1068759776.db2.gz VBCXCDOPZCVCIV-JXFKEZNVSA-N 1 0 463.001 3.923 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001306324902 1068760597 /nfs/dbraw/zinc/76/05/97/1068760597.db2.gz QZDJRTLSTPTRFM-CTNGQTDRSA-N 1 0 481.563 3.910 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](COC)C1 ZINC001306325083 1068761080 /nfs/dbraw/zinc/76/10/80/1068761080.db2.gz SCFUCJWQBHONAJ-VWNXMTODSA-N 1 0 471.646 3.590 20 0 JHADRO 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CC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3ccnc3C)c(F)c2)CC[N@@H+]1CCOC ZINC001306389500 1068826325 /nfs/dbraw/zinc/82/63/25/1068826325.db2.gz NDUFLTLPHGPWDK-NRFANRHFSA-N 1 0 483.636 3.804 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CCS1 ZINC001306389941 1068827551 /nfs/dbraw/zinc/82/75/51/1068827551.db2.gz GRUNEAIIGKGMGI-GLDPYIMESA-N 1 0 471.675 3.768 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001306390747 1068829864 /nfs/dbraw/zinc/82/98/64/1068829864.db2.gz UPFCTWHAKLHXCX-NNMXDRDESA-N 1 0 489.064 3.597 20 0 JHADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001306391188 1068830970 /nfs/dbraw/zinc/83/09/70/1068830970.db2.gz LCAUPJOAJBCINF-FCHUYYIVSA-N 1 0 468.646 3.883 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001306394548 1068837110 /nfs/dbraw/zinc/83/71/10/1068837110.db2.gz YAJNSLWDMCIKOM-JTHBVZDNSA-N 1 0 468.646 3.883 20 0 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ZINC001310723698 1069134648 /nfs/dbraw/zinc/13/46/48/1069134648.db2.gz DYNIRWDVJLCGSO-ROUUACIJSA-N 1 0 452.596 3.628 20 0 JHADRO CS[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1[NH+](C)C ZINC001310723702 1069135232 /nfs/dbraw/zinc/13/52/32/1069135232.db2.gz DYNIRWDVJLCGSO-ZWKOTPCHSA-N 1 0 452.596 3.628 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306519603 1069137138 /nfs/dbraw/zinc/13/71/38/1069137138.db2.gz UEUXKCXIKJURLV-GGAORHGYSA-N 1 0 484.664 3.873 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306520753 1069142272 /nfs/dbraw/zinc/14/22/72/1069142272.db2.gz PDWPCZARSDWRMS-PMVMPFDFSA-N 1 0 481.689 3.902 20 0 JHADRO Cc1nc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)sc1Cc1cccc(Cl)c1F ZINC001310740968 1069143773 /nfs/dbraw/zinc/14/37/73/1069143773.db2.gz AMYSVKSPDGIRTD-DLBZAZTESA-N 1 0 452.983 3.898 20 0 JHADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC001310745679 1069148235 /nfs/dbraw/zinc/14/82/35/1069148235.db2.gz MNUMQUTVVYFZRJ-UHFFFAOYSA-N 1 0 452.889 3.851 20 0 JHADRO Cc1noc(-c2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(Br)cc3)cn2)n1 ZINC001310756829 1069151987 /nfs/dbraw/zinc/15/19/87/1069151987.db2.gz ZNNDYYHOEBPWQY-UHFFFAOYSA-N 1 0 459.348 3.798 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001306530348 1069168631 /nfs/dbraw/zinc/16/86/31/1069168631.db2.gz RCQZQXIHSFTPGQ-ATIYNZHBSA-N 1 0 455.647 3.607 20 0 JHADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)Nc1ccc(Br)c(C2CC2)n1 ZINC001310819951 1069177253 /nfs/dbraw/zinc/17/72/53/1069177253.db2.gz GJYSUMVAUFTGOT-SFHVURJKSA-N 1 0 459.388 4.000 20 0 JHADRO O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001310824171 1069179187 /nfs/dbraw/zinc/17/91/87/1069179187.db2.gz BHFDRDBSUNOLSF-ZWKOTPCHSA-N 1 0 455.456 3.530 20 0 JHADRO CC[NH+](CC)CCOc1cc(NC(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)ccc1OC ZINC001306539494 1069187343 /nfs/dbraw/zinc/18/73/43/1069187343.db2.gz POIKGGHVSSMCBM-NRFANRHFSA-N 1 0 457.468 3.910 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)C1CC1 ZINC001310866611 1069199411 /nfs/dbraw/zinc/19/94/11/1069199411.db2.gz XQRQZFCVIGCLEW-QFIPXVFZSA-N 1 0 458.628 3.796 20 0 JHADRO Cc1c(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)cccc1S(=O)(=O)N(C)C ZINC001310869319 1069200650 /nfs/dbraw/zinc/20/06/50/1069200650.db2.gz ISUVSLJQMGDNJT-DFQSSKMNSA-N 1 0 458.628 3.761 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c1ccc(F)cc1 ZINC001310881994 1069207990 /nfs/dbraw/zinc/20/79/90/1069207990.db2.gz QVLWKGANMOEMKO-HZPDHXFCSA-N 1 0 450.477 3.573 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c1ccc(F)cc1 ZINC001310881995 1069208064 /nfs/dbraw/zinc/20/80/64/1069208064.db2.gz QVLWKGANMOEMKO-JKSUJKDBSA-N 1 0 450.477 3.573 20 0 JHADRO C[C@@H]1[C@H](NC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001310886621 1069210159 /nfs/dbraw/zinc/21/01/59/1069210159.db2.gz PFNLEKJQWLFKRB-NXHRZFHOSA-N 1 0 458.525 3.794 20 0 JHADRO COC(=O)[C@H]1CCc2sc(NC(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)nc2C1 ZINC001310905050 1069216998 /nfs/dbraw/zinc/21/69/98/1069216998.db2.gz STSIZFPHUDMIJS-MOPGFXCFSA-N 1 0 456.612 3.845 20 0 JHADRO CCC[C@@H](C)CN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306564348 1069232532 /nfs/dbraw/zinc/23/25/32/1069232532.db2.gz BTOXHGCPTFAARV-LJQANCHMSA-N 1 0 481.645 3.702 20 0 JHADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001310989825 1069241607 /nfs/dbraw/zinc/24/16/07/1069241607.db2.gz WZBIBEAZQKEIFA-UGKGYDQZSA-N 1 0 459.612 3.627 20 0 JHADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001310989821 1069241914 /nfs/dbraw/zinc/24/19/14/1069241914.db2.gz WZBIBEAZQKEIFA-KNQAVFIVSA-N 1 0 459.612 3.627 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001306579804 1069244546 /nfs/dbraw/zinc/24/45/46/1069244546.db2.gz IPGBNTVYWHRXPL-IBGZPJMESA-N 1 0 474.675 3.539 20 0 JHADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1 ZINC001311034947 1069252245 /nfs/dbraw/zinc/25/22/45/1069252245.db2.gz ADNFXDMMKWMYHE-ICSRJNTNSA-N 1 0 455.603 3.850 20 0 JHADRO C[NH+](C)Cc1ccnc(NC(=O)NCCSCCOc2cccc(Br)c2)c1 ZINC001311077715 1069265380 /nfs/dbraw/zinc/26/53/80/1069265380.db2.gz PQIUNHOBFKTXJT-UHFFFAOYSA-N 1 0 453.406 3.839 20 0 JHADRO CCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC001306600884 1069276571 /nfs/dbraw/zinc/27/65/71/1069276571.db2.gz WNZTXYBWLGLUEP-LEWJYISDSA-N 1 0 488.702 3.569 20 0 JHADRO C[C@@H]1CC[C@H](NC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CN1C(=O)OC(C)(C)C ZINC001311164823 1069287988 /nfs/dbraw/zinc/28/79/88/1069287988.db2.gz ZKYHCRDEVQGCIJ-CBQOVEMMSA-N 1 0 457.619 3.881 20 0 JHADRO CCCc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)o1 ZINC001306612482 1069290628 /nfs/dbraw/zinc/29/06/28/1069290628.db2.gz QZNGFWIGNVNDMV-UGKGYDQZSA-N 1 0 499.704 3.543 20 0 JHADRO CN(C)c1ccc(F)cc1NC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001311183636 1069292097 /nfs/dbraw/zinc/29/20/97/1069292097.db2.gz JHQNDGHMHNFDCP-UHFFFAOYSA-N 1 0 453.484 3.984 20 0 JHADRO COC(=O)c1cc(Oc2ccc(NC(=O)NCc3ccc(-n4ccnc4C)nc3)cc2)ccn1 ZINC001311199364 1069294714 /nfs/dbraw/zinc/29/47/14/1069294714.db2.gz DKBYLVHFTPWAPK-UHFFFAOYSA-N 1 0 458.478 3.871 20 0 JHADRO CCC[C@H]1CN(c2nnc(C)n2CCc2ccc(Br)s2)CC[N@@H+]1CCOC ZINC001306615716 1069296163 /nfs/dbraw/zinc/29/61/63/1069296163.db2.gz HLSBDFKCVBLPSE-INIZCTEOSA-N 1 0 456.454 3.590 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(SC)CC[NH+](C)CC2)CCO1 ZINC001306617873 1069300176 /nfs/dbraw/zinc/30/01/76/1069300176.db2.gz PTLBXTYNIAHHFM-QGZVFWFLSA-N 1 0 497.507 3.868 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001306618750 1069300680 /nfs/dbraw/zinc/30/06/80/1069300680.db2.gz WKUURQCSCUTEET-FQEVSTJZSA-N 1 0 492.462 3.824 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C)n2CCc2coc(-c3ccc(C)cc3)n2)CC[N@@H+]1CCOC ZINC001306618416 1069301175 /nfs/dbraw/zinc/30/11/75/1069301175.db2.gz VYJBLWPYOUHWSU-HSZRJFAPSA-N 1 0 452.603 3.730 20 0 JHADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(Br)c(OCCC3CCCCC3)c2)C1 ZINC001311226821 1069302086 /nfs/dbraw/zinc/30/20/86/1069302086.db2.gz HVCIRMYFCUPUOD-OAQYLSRUSA-N 1 0 454.409 3.986 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001306619464 1069303315 /nfs/dbraw/zinc/30/33/15/1069303315.db2.gz BEZMDFMMCLLAOS-SIKLNZKXSA-N 1 0 467.593 3.615 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(F)c(F)c2)CC[N@@H+]1CCOC ZINC001306620915 1069307939 /nfs/dbraw/zinc/30/79/39/1069307939.db2.gz KVIZUJSKIJSXNQ-HXUWFJFHSA-N 1 0 456.541 3.604 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCC(C)(C)O)CC[N@@H+]1CCOC ZINC001306621268 1069308729 /nfs/dbraw/zinc/30/87/29/1069308729.db2.gz XMQGFANBRBMFRK-FQEVSTJZSA-N 1 0 494.478 3.806 20 0 JHADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000031145079 563107822 /nfs/dbraw/zinc/10/78/22/563107822.db2.gz AUXAKKVQNNUGAN-QHCPKHFHSA-N 1 0 476.042 3.694 20 0 JHADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC[C@@H]5[NH2+]CCO[C@@H]5C4)c23)c1 ZINC001164390105 718824826 /nfs/dbraw/zinc/82/48/26/718824826.db2.gz MKHKHEYHCILVBP-ZWKOTPCHSA-N 1 0 455.653 3.973 20 0 JHADRO O=C(c1cccnc1N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2)N1CCN(Cc2ccccc2)CC1 ZINC001164414823 718880857 /nfs/dbraw/zinc/88/08/57/718880857.db2.gz XNUPZFTTWXJACV-QFIPXVFZSA-N 1 0 487.570 3.693 20 0 JHADRO C(c1nc2sc3c(c2c(N2CCCC[C@H]2C2CC[NH2+]CC2)n1)CCCC3)N1CCOCC1 ZINC001164416988 718892524 /nfs/dbraw/zinc/89/25/24/718892524.db2.gz GSKINVQVQDTSES-FQEVSTJZSA-N 1 0 455.672 3.761 20 0 JHADRO C(c1nc2sc3c(c2c(N2CCCC[C@@H]2C2CC[NH2+]CC2)n1)CCCC3)N1CCOCC1 ZINC001164416992 718892584 /nfs/dbraw/zinc/89/25/84/718892584.db2.gz GSKINVQVQDTSES-HXUWFJFHSA-N 1 0 455.672 3.761 20 0 JHADRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164427515 718954567 /nfs/dbraw/zinc/95/45/67/718954567.db2.gz DCNGYQJXQXYVOG-XMMPIXPASA-N 1 0 478.637 3.558 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164618216 719006832 /nfs/dbraw/zinc/00/68/32/719006832.db2.gz REJASSGUZRCHBE-VGOFRKELSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc3ncc(Cl)nc3c1)C2 ZINC001164618202 719008182 /nfs/dbraw/zinc/00/81/82/719008182.db2.gz QWHTVHPIYQIPPO-GCJKJVERSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164620917 719008340 /nfs/dbraw/zinc/00/83/40/719008340.db2.gz ZSRJPPUFHYAOTO-CUNXSJBXSA-N 1 0 496.055 3.795 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@H]3C4(CC[C@]3(C(=O)OCC)C2)CC[NH2+]CC4)c(Cl)n1 ZINC001164618222 719009905 /nfs/dbraw/zinc/00/99/05/719009905.db2.gz REUCOTPDJBTYJH-JTSKRJEESA-N 1 0 485.959 3.606 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)CC2)CC1 ZINC001164616385 719028755 /nfs/dbraw/zinc/02/87/55/719028755.db2.gz CWKGIXVWSTWLOP-UHFFFAOYSA-N 1 0 463.941 3.700 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C(OC)OC)ccc3NC(=O)C(C)(C)C)CC2)CC1 ZINC001164617496 719030196 /nfs/dbraw/zinc/03/01/96/719030196.db2.gz MSDQUFAIZZMDSA-UHFFFAOYSA-N 1 0 490.645 3.602 20 0 JHADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164621090 719070522 /nfs/dbraw/zinc/07/05/22/719070522.db2.gz GZELOZQKRUJYLB-XUZZJYLKSA-N 1 0 473.602 3.769 20 0 JHADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)cc1 ZINC001164627407 719092246 /nfs/dbraw/zinc/09/22/46/719092246.db2.gz KEXYPXNPIFQNED-NFBKMPQASA-N 1 0 464.591 3.773 20 0 JHADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc21 ZINC001164622294 719095726 /nfs/dbraw/zinc/09/57/26/719095726.db2.gz BQHUOOLXWRICGR-VWNXMTODSA-N 1 0 473.602 3.769 20 0 JHADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@H]5[C@H]4CC[C@@H]5OCc4ccncc4)ccc3C2)cc1 ZINC001164648520 719292833 /nfs/dbraw/zinc/29/28/33/719292833.db2.gz UUADFEVKWPXORV-PBWSGDRGSA-N 1 0 456.590 3.988 20 0 JHADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@@H]5[C@@H](OCc6ccncc6)CC[C@@H]54)ccc3C2)cc1 ZINC001164648519 719293049 /nfs/dbraw/zinc/29/30/49/719293049.db2.gz UUADFEVKWPXORV-NSVAZKTRSA-N 1 0 456.590 3.988 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2ccnc(N(C)C)n2)C3)nc1 ZINC001164664192 719357761 /nfs/dbraw/zinc/35/77/61/719357761.db2.gz LVABJFUPBPNBOZ-RBJSKKJNSA-N 1 0 493.700 3.998 20 0 JHADRO CC(C)N(C)Cc1nn(-c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164679802 719645224 /nfs/dbraw/zinc/64/52/24/719645224.db2.gz NSCBDWPIHBMIAD-UHFFFAOYSA-N 1 0 474.638 3.699 20 0 JHADRO CCOC(=O)/C=C/c1cccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164682953 719658443 /nfs/dbraw/zinc/65/84/43/719658443.db2.gz UEQWVGPECOWWFY-RGPPVUSESA-N 1 0 490.648 3.751 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)ncc3Cl)CC2)c2ccccc21 ZINC001164681450 719658566 /nfs/dbraw/zinc/65/85/66/719658566.db2.gz PJZZNWYUHSVLOZ-MRXNPFEDSA-N 1 0 462.425 3.877 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc(N4CCCCC4)n3)CC2)c2ccccc21 ZINC001164684291 719673172 /nfs/dbraw/zinc/67/31/72/719673172.db2.gz SXKFHXRWQGINJO-JOCHJYFZSA-N 1 0 476.669 3.560 20 0 JHADRO C[C@@H]1CCCN(c2cc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ncn2)C1 ZINC001164680033 719680654 /nfs/dbraw/zinc/68/06/54/719680654.db2.gz AYUAAYJDESYLAT-DHIUTWEWSA-N 1 0 490.696 3.806 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@@H]3C)nc1 ZINC001164681972 719692711 /nfs/dbraw/zinc/69/27/11/719692711.db2.gz AXLRICMETZCFRI-OFNKIYASSA-N 1 0 466.630 3.543 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1ccccc1Cl)CC2 ZINC001164689583 719751925 /nfs/dbraw/zinc/75/19/25/719751925.db2.gz IIXKQCQUTKTQPG-UHFFFAOYSA-N 1 0 450.370 3.757 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nnn(C)c3[C@@H](COCc3cccnc3)C2)nc1 ZINC001164697898 719835517 /nfs/dbraw/zinc/83/55/17/719835517.db2.gz ZLOVYTWSDPUIAO-ISKFKSNPSA-N 1 0 461.614 3.863 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nnn(C)c3[C@H](COCc3cccnc3)C2)nc1 ZINC001164697900 719835685 /nfs/dbraw/zinc/83/56/85/719835685.db2.gz ZLOVYTWSDPUIAO-UPVQGACJSA-N 1 0 461.614 3.863 20 0 JHADRO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164705900 719899105 /nfs/dbraw/zinc/89/91/05/719899105.db2.gz FMYRABPEHSXZJU-HXUWFJFHSA-N 1 0 476.952 3.868 20 0 JHADRO CCOC(=O)c1cnc(Cl)cc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164712629 720093980 /nfs/dbraw/zinc/09/39/80/720093980.db2.gz XIZSZGOIFJLGTH-LJQANCHMSA-N 1 0 458.990 3.814 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)OC(C)(C)C)ccn1)CC2 ZINC001164712074 720101590 /nfs/dbraw/zinc/10/15/90/720101590.db2.gz UZTBPKRMXRXMCZ-JOCHJYFZSA-N 1 0 452.599 3.939 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164809169 720102696 /nfs/dbraw/zinc/10/26/96/720102696.db2.gz HLCJNQRFSMDYPG-MHECFPHRSA-N 1 0 456.612 3.567 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164716402 720107377 /nfs/dbraw/zinc/10/73/77/720107377.db2.gz KYYZKDSIZRDOJA-GOSISDBHSA-N 1 0 458.006 3.798 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cc1C(=O)OC)CC2 ZINC001164714302 720112072 /nfs/dbraw/zinc/11/20/72/720112072.db2.gz BRDYAYWLJSYVNV-SFHVURJKSA-N 1 0 494.970 3.969 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164712141 720134429 /nfs/dbraw/zinc/13/44/29/720134429.db2.gz KOLTUQBSPUBHNC-INIZCTEOSA-N 1 0 469.989 3.866 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CCC(C)CC1)CC2 ZINC001164712206 720140166 /nfs/dbraw/zinc/14/01/66/720140166.db2.gz KWSALYKUKRLYAB-DEOSSOPVSA-N 1 0 477.653 3.856 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(N3CCCCCC3)n1)CC2 ZINC001164710808 720149799 /nfs/dbraw/zinc/14/97/99/720149799.db2.gz CWHQDEHVMRFAKT-HSZRJFAPSA-N 1 0 450.631 3.760 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164710466 720150427 /nfs/dbraw/zinc/15/04/27/720150427.db2.gz BQWBFYWMRZPLBF-INIZCTEOSA-N 1 0 474.396 3.629 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(NC(=O)c3ccccc3)n1)CC2 ZINC001164711621 720151692 /nfs/dbraw/zinc/15/16/92/720151692.db2.gz HJXQRWNCWJYDJG-XMMPIXPASA-N 1 0 486.620 3.940 20 0 JHADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c2c1C ZINC001164818712 720164906 /nfs/dbraw/zinc/16/49/06/720164906.db2.gz UGODTIPKJCUBJZ-HOYKHHGWSA-N 1 0 458.628 3.670 20 0 JHADRO Cn1nnc2c1CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718752 720180052 /nfs/dbraw/zinc/18/00/52/720180052.db2.gz QKFXEIAMDBKIDW-DEOSSOPVSA-N 1 0 496.619 3.550 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164812588 720195219 /nfs/dbraw/zinc/19/52/19/720195219.db2.gz LGQCXCNHFLSQBB-OXJNMPFZSA-N 1 0 458.937 3.557 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CCC2 ZINC001164813386 720232970 /nfs/dbraw/zinc/23/29/70/720232970.db2.gz NRTDKYNDFOYVEZ-UHFFFAOYSA-N 1 0 470.577 3.532 20 0 JHADRO Cc1sc2nc(CN3CCCC3)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1C ZINC001164813932 720236417 /nfs/dbraw/zinc/23/64/17/720236417.db2.gz RWNBRFVOABOPGQ-UHFFFAOYSA-N 1 0 495.697 3.711 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CCC2 ZINC001164815111 720246696 /nfs/dbraw/zinc/24/66/96/720246696.db2.gz ANQHMJQDAILDTR-UHFFFAOYSA-N 1 0 451.949 3.662 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)c3ccccc3n2)CC1 ZINC001164820087 720294870 /nfs/dbraw/zinc/29/48/70/720294870.db2.gz GSEOPQJFMGNTJZ-MOPGFXCFSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)nc(Cc3ccccc3)n2)CC1 ZINC001164821999 720311864 /nfs/dbraw/zinc/31/18/64/720311864.db2.gz MGWGGHGFQXRUJP-NHCUHLMSSA-N 1 0 454.018 3.632 20 0 JHADRO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164720825 720312769 /nfs/dbraw/zinc/31/27/69/720312769.db2.gz APPFMFPUGGSSOM-VWLOTQADSA-N 1 0 458.610 3.657 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)ncc2OCc2ccccc2)CC1 ZINC001164828940 720321203 /nfs/dbraw/zinc/32/12/03/720321203.db2.gz KRGUPPWHXVQDTN-RTWAWAEBSA-N 1 0 470.017 3.621 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)ncc2C(=O)OC(C)(C)C)CC1 ZINC001164824643 720325870 /nfs/dbraw/zinc/32/58/70/720325870.db2.gz CPBSCJYYSLDIFM-MOPGFXCFSA-N 1 0 463.022 3.602 20 0 JHADRO Cc1nc2sc3c(c2c(N2CC[C@H]4[C@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCCC3 ZINC001164821462 720336756 /nfs/dbraw/zinc/33/67/56/720336756.db2.gz AKUQZMNAAKCBGZ-UXHICEINSA-N 1 0 453.656 3.790 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(-c3ccco3)nnc2Cl)CC1 ZINC001164828313 720340860 /nfs/dbraw/zinc/34/08/60/720340860.db2.gz OCRMXAFQNHXVQL-OALUTQOASA-N 1 0 479.959 3.846 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc(Cl)c2c1 ZINC001164827982 720342483 /nfs/dbraw/zinc/34/24/83/720342483.db2.gz NPSSCHCGNFVTFJ-UXHICEINSA-N 1 0 493.986 3.748 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2c(Cl)nnc(Cl)c2N2CCCCC2)CC1 ZINC001164821473 720356095 /nfs/dbraw/zinc/35/60/95/720356095.db2.gz ALZXBIKXACJFCN-MSOLQXFVSA-N 1 0 481.472 3.685 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc3c2CCC3)CC1 ZINC001164828796 720356113 /nfs/dbraw/zinc/35/61/13/720356113.db2.gz PXGMNOIXNPXYDK-UXHICEINSA-N 1 0 452.977 3.680 20 0 JHADRO c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164733433 720438248 /nfs/dbraw/zinc/43/82/48/720438248.db2.gz POZHHJXMXFYWOE-FGZHOGPDSA-N 1 0 490.677 3.651 20 0 JHADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164833887 720508624 /nfs/dbraw/zinc/50/86/24/720508624.db2.gz DSCRUHFJTKGGAJ-QHAWAJNXSA-N 1 0 487.608 3.634 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837937 720532383 /nfs/dbraw/zinc/53/23/83/720532383.db2.gz MRBXBGZGKVCSON-SVFBPWRDSA-N 1 0 480.638 3.956 20 0 JHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)C1 ZINC001164735604 720535655 /nfs/dbraw/zinc/53/56/55/720535655.db2.gz QEHSDYMYCAUIOI-CQSZACIVSA-N 1 0 450.896 3.876 20 0 JHADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164839531 720557189 /nfs/dbraw/zinc/55/71/89/720557189.db2.gz QHWKFEWRRGYYOQ-OKZBNKHCSA-N 1 0 467.948 3.641 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841490 720586964 /nfs/dbraw/zinc/58/69/64/720586964.db2.gz SIBOJECIBYXYOT-HRCADAONSA-N 1 0 459.372 3.989 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN([C@](F)(COc3cncc(Cl)n3)C(F)F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838334 720618425 /nfs/dbraw/zinc/61/84/25/720618425.db2.gz KTMUPTUWYFXEON-KYFSNAEOSA-N 1 0 472.943 3.510 20 0 JHADRO COc1ccc(OC)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)c1 ZINC001164843169 720622386 /nfs/dbraw/zinc/62/23/86/720622386.db2.gz XAWWLOAYAHVVGI-JXALWOEJSA-N 1 0 462.598 3.735 20 0 JHADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)c(OC)c1OC ZINC001164837320 720630851 /nfs/dbraw/zinc/63/08/51/720630851.db2.gz IAGHQDQJFPXDAW-MIZPHKNDSA-N 1 0 492.624 3.744 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842172 720632290 /nfs/dbraw/zinc/63/22/90/720632290.db2.gz UBCCNXTXRFZBJY-OKZBNKHCSA-N 1 0 477.947 3.904 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)CC[C@@H]21 ZINC001164840980 720651247 /nfs/dbraw/zinc/65/12/47/720651247.db2.gz OMAWKUJHAONKGV-JYJNAYRXSA-N 1 0 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C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164809434 721560126 /nfs/dbraw/zinc/56/01/26/721560126.db2.gz XHSVAOBRRYXCJU-ISJGIBHGSA-N 1 0 454.578 3.743 20 0 JHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)CC[N@@H+]3C2)c1 ZINC001164903180 721568439 /nfs/dbraw/zinc/56/84/39/721568439.db2.gz BILKSODRZMXTCJ-HIFRSBDPSA-N 1 0 469.920 3.852 20 0 JHADRO COC(=O)c1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncc2c1 ZINC001164908440 721587561 /nfs/dbraw/zinc/58/75/61/721587561.db2.gz ZGKUFVRRWVOVOD-HSZRJFAPSA-N 1 0 453.493 3.549 20 0 JHADRO Cc1cccc(CN2CCO[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)CC[C@@H]3C2=O)n1 ZINC001164798766 721602482 /nfs/dbraw/zinc/60/24/82/721602482.db2.gz IEWLUPPXQPUNJA-XCZPVHLTSA-N 1 0 497.643 3.597 20 0 JHADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165009778 721744550 /nfs/dbraw/zinc/74/45/50/721744550.db2.gz IUHAYSRXBOHBRB-UHFFFAOYSA-N 1 0 458.990 3.588 20 0 JHADRO 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493.633 3.804 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C[C@@H]21 ZINC001165026410 721820465 /nfs/dbraw/zinc/82/04/65/721820465.db2.gz PUVIOSUBPBPLNQ-WDJPJFJCSA-N 1 0 493.633 3.804 20 0 JHADRO CN(C)c1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(Cl)n1 ZINC001165025061 721829959 /nfs/dbraw/zinc/82/99/59/721829959.db2.gz LINDCNRKWBYDIR-JQHSSLGASA-N 1 0 450.965 3.873 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(S(C)(=O)=O)c3)C[C@H]21 ZINC001165028158 721832293 /nfs/dbraw/zinc/83/22/93/721832293.db2.gz USUMUDVWRXAVFC-ATZDWAIDSA-N 1 0 485.000 3.815 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)nc1 ZINC001164928326 721833853 /nfs/dbraw/zinc/83/38/53/721833853.db2.gz XOCINEADVBCGIT-NOZRDPDXSA-N 1 0 471.671 3.501 20 0 JHADRO CN1C(=O)CC[C@@H]2[C@H]1CCN2c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164932055 721893104 /nfs/dbraw/zinc/89/31/04/721893104.db2.gz GCYUKNGSNUVNKI-FGZHOGPDSA-N 1 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CCOC(Cc1c(Cl)ncnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2)OCC ZINC001164964645 722056301 /nfs/dbraw/zinc/05/63/01/722056301.db2.gz WIIFSFKCXPSEEL-UHFFFAOYSA-N 1 0 490.048 3.586 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)=O)C2)nc1 ZINC001164968947 722081119 /nfs/dbraw/zinc/08/11/19/722081119.db2.gz GNWQNXPTBHTJHT-ZFFYZDHPSA-N 1 0 450.631 3.731 20 0 JHADRO CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]2c2ccccc21 ZINC001164979448 722090999 /nfs/dbraw/zinc/09/09/99/722090999.db2.gz ZNYJTARRDQACAS-OXQOHEQNSA-N 1 0 494.995 3.656 20 0 JHADRO CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]2c2ccccc21 ZINC001164979446 722091028 /nfs/dbraw/zinc/09/10/28/722091028.db2.gz ZNYJTARRDQACAS-OXJNMPFZSA-N 1 0 494.995 3.656 20 0 JHADRO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979934 722102700 /nfs/dbraw/zinc/10/27/00/722102700.db2.gz IJSUMTPQKVRXPO-CVEARBPZSA-N 1 0 455.962 3.519 20 0 JHADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980428 722108348 /nfs/dbraw/zinc/10/83/48/722108348.db2.gz RDWBQRFVTGJEOT-YADHBBJMSA-N 1 0 490.011 3.650 20 0 JHADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164976012 722139082 /nfs/dbraw/zinc/13/90/82/722139082.db2.gz GIGYJTKXSGVWDN-PMACEKPBSA-N 1 0 481.622 3.607 20 0 JHADRO c1ccc(-c2nsc3c2ncnc3N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164982801 722142929 /nfs/dbraw/zinc/14/29/29/722142929.db2.gz SSBQIAXLVFLTFF-LEWJYISDSA-N 1 0 458.591 3.876 20 0 JHADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)o2)cc1 ZINC001164976103 722143169 /nfs/dbraw/zinc/14/31/69/722143169.db2.gz HEZGLJMIXWHNKB-FCHUYYIVSA-N 1 0 456.550 3.716 20 0 JHADRO c1cc2c(nc(-c3ccccn3)nc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164976051 722151876 /nfs/dbraw/zinc/15/18/76/722151876.db2.gz GVSHKURHXHPTBY-DENIHFKCSA-N 1 0 458.591 3.876 20 0 JHADRO c1cc2c(nc(-c3ccncc3)nc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164982700 722152243 /nfs/dbraw/zinc/15/22/43/722152243.db2.gz SEFAHLBGWCYMLE-IRLDBZIGSA-N 1 0 458.591 3.876 20 0 JHADRO CC(C)(C)OC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164977886 722152685 /nfs/dbraw/zinc/15/26/85/722152685.db2.gz ZAMTWEWXYZJQNH-WIYYLYMNSA-N 1 0 458.990 3.813 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3cc(OCc4ccccc4)ccc31)CCC2 ZINC001165003675 722257890 /nfs/dbraw/zinc/25/78/90/722257890.db2.gz GEAJKMUIADHIHG-UHFFFAOYSA-N 1 0 472.593 3.894 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)OC)CC[N@@H+]1CCOC ZINC001306621645 1069310667 /nfs/dbraw/zinc/31/06/67/1069310667.db2.gz DDBYXCHBMTXJBG-WMZOPIPTSA-N 1 0 498.441 3.819 20 0 JHADRO COC(=O)c1cnc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1C ZINC001311262288 1069311578 /nfs/dbraw/zinc/31/15/78/1069311578.db2.gz PJRDEFDCHVMHMJ-BJKOFHAPSA-N 1 0 474.561 3.975 20 0 JHADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@](C)(c2ccccc2)C(F)(F)F)CC1 ZINC001311265293 1069311893 /nfs/dbraw/zinc/31/18/93/1069311893.db2.gz WRTIPVGVDKUMAO-JOCHJYFZSA-N 1 0 456.553 3.734 20 0 JHADRO Cc1cc(NC(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)ccc1S(=O)(=O)N(C)C ZINC001311282340 1069314959 /nfs/dbraw/zinc/31/49/59/1069314959.db2.gz NJNVGPLMQGFCHA-JOCHJYFZSA-N 1 0 458.628 3.812 20 0 JHADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)c1 ZINC001311293958 1069318986 /nfs/dbraw/zinc/31/89/86/1069318986.db2.gz KJFMGZMMFVALDL-UHFFFAOYSA-N 1 0 454.958 3.812 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)c2ncc(C)s2)CC[N@@H+]1CCOC ZINC001306626096 1069320691 /nfs/dbraw/zinc/32/06/91/1069320691.db2.gz WFRPINNCLFMHNE-CEWLAPEOSA-N 1 0 476.691 3.678 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCO[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306626198 1069321031 /nfs/dbraw/zinc/32/10/31/1069321031.db2.gz FIRCUUFFNXWKEJ-NJDAHSKKSA-N 1 0 491.627 3.899 20 0 JHADRO CCOC(=O)c1cn(CC)nc1NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001311312562 1069321603 /nfs/dbraw/zinc/32/16/03/1069321603.db2.gz OHPGTMGELIDBGW-UHFFFAOYSA-N 1 0 455.481 3.694 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306626646 1069322402 /nfs/dbraw/zinc/32/24/02/1069322402.db2.gz JAQCNSHXUBUTPC-CUNXSJBXSA-N 1 0 487.664 3.886 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC2(O)CCCCC2)CC[N@@H+]1CCOC ZINC001306626775 1069322839 /nfs/dbraw/zinc/32/28/39/1069322839.db2.gz LMUKPWRTHHCBFO-XMMPIXPASA-N 1 0 469.674 3.810 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC)n2Cc2ccc(-c3ccsc3)nc2)CC[N@@H+]1CCOC ZINC001306627879 1069325088 /nfs/dbraw/zinc/32/50/88/1069325088.db2.gz VZFYVZZKRILIKN-OAQYLSRUSA-N 1 0 454.644 3.949 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)Nc1ccnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ccccc1 ZINC001311327296 1069325005 /nfs/dbraw/zinc/32/50/05/1069325005.db2.gz QLRWNMMYUQYUFM-RBUKOAKNSA-N 1 0 454.575 3.973 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccsc3)n2Cc2cnc(C)s2)CC[N@@H+]1CCOC ZINC001306628435 1069326634 /nfs/dbraw/zinc/32/66/34/1069326634.db2.gz JNVMCXWKNYLYTA-LJQANCHMSA-N 1 0 460.673 3.681 20 0 JHADRO CCS(=O)(=O)c1ccc2oc(NC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)nc2c1 ZINC001311329046 1069326795 /nfs/dbraw/zinc/32/67/95/1069326795.db2.gz QBULCYSDGWPEJO-AEFFLSMTSA-N 1 0 456.568 3.511 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001306628595 1069327363 /nfs/dbraw/zinc/32/73/63/1069327363.db2.gz FBJQXPLWOGEWLE-ZRCGQRJVSA-N 1 0 471.694 3.902 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001306630680 1069329853 /nfs/dbraw/zinc/32/98/53/1069329853.db2.gz PTTTVRLCWNPGEY-SFTDATJTSA-N 1 0 457.648 3.509 20 0 JHADRO O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001311343875 1069331453 /nfs/dbraw/zinc/33/14/53/1069331453.db2.gz LOHJLGAVMHRCBE-YLJYHZDGSA-N 1 0 453.505 3.976 20 0 JHADRO CCC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001306631261 1069331745 /nfs/dbraw/zinc/33/17/45/1069331745.db2.gz FBEDRQKZJBNHBG-QHCPKHFHSA-N 1 0 471.646 3.993 20 0 JHADRO COc1ccc([C@H](CNC(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC001311346068 1069332547 /nfs/dbraw/zinc/33/25/47/1069332547.db2.gz OHOGZLRYJRPZQD-URXFXBBRSA-N 1 0 450.583 3.527 20 0 JHADRO COc1ccc([C@H](CNC(=O)NCCc2ccc(OC(F)(F)F)cc2)[NH+](C)C)cc1OC ZINC001311348895 1069335191 /nfs/dbraw/zinc/33/51/91/1069335191.db2.gz KCZLOCOREPYBHX-SFHVURJKSA-N 1 0 455.477 3.747 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001306633300 1069336113 /nfs/dbraw/zinc/33/61/13/1069336113.db2.gz SGPWGAPBMDPEDN-FCHUYYIVSA-N 1 0 471.646 3.991 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)CCO1 ZINC001306633485 1069337207 /nfs/dbraw/zinc/33/72/07/1069337207.db2.gz BZEODWKAMZGIHY-BURNTYAHSA-N 1 0 476.666 3.538 20 0 JHADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC001311352091 1069338231 /nfs/dbraw/zinc/33/82/31/1069338231.db2.gz UQYIAVDXMDSDDY-XMMPIXPASA-N 1 0 459.034 3.743 20 0 JHADRO C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1=O ZINC001311352622 1069338542 /nfs/dbraw/zinc/33/85/42/1069338542.db2.gz DDZXNROTWIYNDZ-CYFREDJKSA-N 1 0 452.574 3.973 20 0 JHADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001311355528 1069339577 /nfs/dbraw/zinc/33/95/77/1069339577.db2.gz FKBKVXZVDMICHP-LEWJYISDSA-N 1 0 460.619 3.558 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001306634810 1069340385 /nfs/dbraw/zinc/34/03/85/1069340385.db2.gz NFVWTDHYCXLJJS-FQEVSTJZSA-N 1 0 456.635 3.854 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC001311357876 1069341730 /nfs/dbraw/zinc/34/17/30/1069341730.db2.gz NRBCLMCSVAVIEX-NVQXNPDNSA-N 1 0 450.627 3.791 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)C1 ZINC001311358478 1069341963 /nfs/dbraw/zinc/34/19/63/1069341963.db2.gz BQQJSFRIQUGVRM-BBTUJRGHSA-N 1 0 455.018 3.614 20 0 JHADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)C1 ZINC001311363279 1069346198 /nfs/dbraw/zinc/34/61/98/1069346198.db2.gz RUXPFKMTUQXWHT-DBXWQHBBSA-N 1 0 455.018 3.518 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCN(c4ccccc4F)C3=O)cc2)C1 ZINC001311360452 1069343822 /nfs/dbraw/zinc/34/38/22/1069343822.db2.gz PONDHHLPNDBJQT-DNVFCKCGSA-N 1 0 452.574 3.908 20 0 JHADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC001311370203 1069347548 /nfs/dbraw/zinc/34/75/48/1069347548.db2.gz NSAQQEZYZWFCDH-GOTSBHOMSA-N 1 0 455.002 3.967 20 0 JHADRO CCCCCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@H+](C)C1)C(C)C ZINC001306641660 1069352616 /nfs/dbraw/zinc/35/26/16/1069352616.db2.gz BLNNHYDCRZTSHB-RLWLMLJZSA-N 1 0 492.709 3.864 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H](c3cccs3)C3(CO)CCC3)CC2)c1 ZINC001311380266 1069353681 /nfs/dbraw/zinc/35/36/81/1069353681.db2.gz JTHDLPIYERLOEZ-QHCPKHFHSA-N 1 0 456.656 3.772 20 0 JHADRO CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001306642976 1069354202 /nfs/dbraw/zinc/35/42/02/1069354202.db2.gz ZOLFIHRSWTWWKL-QHCPKHFHSA-N 1 0 452.647 3.755 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N(C[C@H](C)c3ccccc3)[C@@H](C)CO)CC2)c1 ZINC001311380941 1069354620 /nfs/dbraw/zinc/35/46/20/1069354620.db2.gz NXMNMHFHCCCHRY-ZEQRLZLVSA-N 1 0 452.643 3.703 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1)C1CCCCC1 ZINC001311395505 1069360543 /nfs/dbraw/zinc/36/05/43/1069360543.db2.gz KXEVRIRKQAZTEW-QHCPKHFHSA-N 1 0 452.599 3.525 20 0 JHADRO Cc1cccc([C@@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)N2CCOCC2)c1 ZINC001311391576 1069358499 /nfs/dbraw/zinc/35/84/99/1069358499.db2.gz OMPVHFMNJJFGBU-ATIYNZHBSA-N 1 0 450.627 3.893 20 0 JHADRO CC[C@H](CNC(=O)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001311397636 1069361178 /nfs/dbraw/zinc/36/11/78/1069361178.db2.gz VLTCMGSFBUZTSI-DRLORSAXSA-N 1 0 456.631 3.912 20 0 JHADRO CC(C)[C@@H](CNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC001311398580 1069361678 /nfs/dbraw/zinc/36/16/78/1069361678.db2.gz ZKFJFOJDDKYKCS-VAMGGRTRSA-N 1 0 454.656 3.803 20 0 JHADRO C[C@H](CNC(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1)[N@@H+]1CCCC[C@H]1C ZINC001311402875 1069362624 /nfs/dbraw/zinc/36/26/24/1069362624.db2.gz UHHOYRHTYNAIRU-VQHPVUNQSA-N 1 0 450.546 3.594 20 0 JHADRO CCCCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001306657031 1069369880 /nfs/dbraw/zinc/36/98/80/1069369880.db2.gz XFIQSKNPRXHPPB-RCZVLFRGSA-N 1 0 496.700 3.989 20 0 JHADRO CC[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CC)CO1 ZINC001311423165 1069371320 /nfs/dbraw/zinc/37/13/20/1069371320.db2.gz MMFXWZJRHGVOFM-PZJWPPBQSA-N 1 0 456.553 3.817 20 0 JHADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001311429890 1069375907 /nfs/dbraw/zinc/37/59/07/1069375907.db2.gz DYPHQJPANDDCIR-HYBUGGRVSA-N 1 0 457.640 3.991 20 0 JHADRO CO[C@@H](C)c1nc(CN2CCCN(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)cs1 ZINC001311430238 1069376381 /nfs/dbraw/zinc/37/63/81/1069376381.db2.gz JHDXRXOMQUFRDQ-PMACEKPBSA-N 1 0 451.681 3.722 20 0 JHADRO CO[C@H](C)c1nc(CN2CCCN(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)cs1 ZINC001311430240 1069376444 /nfs/dbraw/zinc/37/64/44/1069376444.db2.gz JHDXRXOMQUFRDQ-VQTJNVASSA-N 1 0 451.681 3.722 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)C1 ZINC001311431836 1069376921 /nfs/dbraw/zinc/37/69/21/1069376921.db2.gz FGOLVCJVLOQOAF-FAXMOTADSA-N 1 0 451.652 3.713 20 0 JHADRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCCCCC1 ZINC001311436211 1069378658 /nfs/dbraw/zinc/37/86/58/1069378658.db2.gz KYFCJOLGDZNVNH-GOSISDBHSA-N 1 0 451.409 3.508 20 0 JHADRO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC001306661130 1069381426 /nfs/dbraw/zinc/38/14/26/1069381426.db2.gz JCWRCQJAARCDLK-LJQANCHMSA-N 1 0 451.036 3.686 20 0 JHADRO O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCO[C@@H]2CCC[C@@H]21 ZINC001311453163 1069385936 /nfs/dbraw/zinc/38/59/36/1069385936.db2.gz YPPLDCDBCGEFGS-LEWJYISDSA-N 1 0 454.537 3.571 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001306664580 1069389462 /nfs/dbraw/zinc/38/94/62/1069389462.db2.gz JWJBXKQVEBLGNP-OAQYLSRUSA-N 1 0 454.663 3.602 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(OC)c1 ZINC001311469198 1069392769 /nfs/dbraw/zinc/39/27/69/1069392769.db2.gz JPXGEWWNSMEETF-RBBKRZOGSA-N 1 0 453.505 3.827 20 0 JHADRO CCCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(SC)CC[NH+](C)CC1 ZINC001306666705 1069395035 /nfs/dbraw/zinc/39/50/35/1069395035.db2.gz AAZGMIBVPFZHNC-UHFFFAOYSA-N 1 0 493.747 3.610 20 0 JHADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)C1 ZINC001306668770 1069396118 /nfs/dbraw/zinc/39/61/18/1069396118.db2.gz NMQZNLHNUPQZTE-IAGOWNOFSA-N 1 0 453.967 3.883 20 0 JHADRO C[NH+](C)CCN1CCC(NC(=O)N[C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)CC1 ZINC001311481227 1069397746 /nfs/dbraw/zinc/39/77/46/1069397746.db2.gz ZVIHCLFPYIPVSA-NRFANRHFSA-N 1 0 459.635 3.587 20 0 JHADRO O=C(NCc1ccc(COc2ccccc2)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001311487002 1069400727 /nfs/dbraw/zinc/40/07/27/1069400727.db2.gz GEWMMXITNYXTIW-XNMGPUDCSA-N 1 0 459.590 3.948 20 0 JHADRO C[C@H](CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)Oc1cccc(Br)c1 ZINC001311495684 1069404881 /nfs/dbraw/zinc/40/48/81/1069404881.db2.gz IQCYVTPKOPJGSQ-MRXNPFEDSA-N 1 0 450.377 3.656 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001306679310 1069404964 /nfs/dbraw/zinc/40/49/64/1069404964.db2.gz QTFLLRBXHGIXGK-JOCHJYFZSA-N 1 0 488.702 3.564 20 0 JHADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)NCCc3cccc(C(F)(F)F)n3)cc2)C[C@H](C)O1 ZINC001311496038 1069406224 /nfs/dbraw/zinc/40/62/24/1069406224.db2.gz LXTIMSNJVKXLLK-IRXDYDNUSA-N 1 0 450.505 3.752 20 0 JHADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2C)C1 ZINC001306680103 1069406398 /nfs/dbraw/zinc/40/63/98/1069406398.db2.gz OZEODKYDRSLREF-OAQYLSRUSA-N 1 0 461.614 3.960 20 0 JHADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCN(CCOc3ccccc3)CC2)C1 ZINC001311499506 1069408285 /nfs/dbraw/zinc/40/82/85/1069408285.db2.gz YHDNTXWVLFTFET-QHCPKHFHSA-N 1 0 450.627 3.825 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCCCCC2)CC1 ZINC001306680366 1069407153 /nfs/dbraw/zinc/40/71/53/1069407153.db2.gz NOJMMBYFQRWYOT-UHFFFAOYSA-N 1 0 474.694 3.548 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001306680867 1069407645 /nfs/dbraw/zinc/40/76/45/1069407645.db2.gz PRXJGVMHXZALPJ-QHCPKHFHSA-N 1 0 487.714 3.891 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CCN(c4c(F)cccc4F)CC3)cc2)C[C@@H](C)O1 ZINC001311498153 1069407734 /nfs/dbraw/zinc/40/77/34/1069407734.db2.gz PHPHLASPXOQHRW-RTBURBONSA-N 1 0 458.553 3.606 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2c(F)cccc2F)CC1 ZINC001306681466 1069410664 /nfs/dbraw/zinc/41/06/64/1069410664.db2.gz ZAJVGYXNDNVDPX-UHFFFAOYSA-N 1 0 488.627 3.983 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001306681634 1069411232 /nfs/dbraw/zinc/41/12/32/1069411232.db2.gz PVKIYVBAIZTYQU-HXUWFJFHSA-N 1 0 484.670 3.547 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001306680918 1069409174 /nfs/dbraw/zinc/40/91/74/1069409174.db2.gz WGWQMCZHAZUMRK-CTNGQTDRSA-N 1 0 478.682 3.644 20 0 JHADRO CN(C(=O)NCc1ccnc(OC2CCCC2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001311509388 1069415125 /nfs/dbraw/zinc/41/51/25/1069415125.db2.gz VACUDMMHFBOTFM-DNQXCXABSA-N 1 0 457.663 3.882 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001306683934 1069418854 /nfs/dbraw/zinc/41/88/54/1069418854.db2.gz GGJOFNSYRNNDEA-OAQYLSRUSA-N 1 0 476.000 3.781 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 ZINC001306686129 1069421951 /nfs/dbraw/zinc/42/19/51/1069421951.db2.gz RMHDVFKRIPIJRY-FQEVSTJZSA-N 1 0 478.682 3.945 20 0 JHADRO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC001311526284 1069423229 /nfs/dbraw/zinc/42/32/29/1069423229.db2.gz WSWPKHJYCVZKBM-CYFREDJKSA-N 1 0 452.599 3.627 20 0 JHADRO CCCC[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001306686570 1069423221 /nfs/dbraw/zinc/42/32/21/1069423221.db2.gz GSPSFMGSSLIPAK-OAQYLSRUSA-N 1 0 493.027 3.503 20 0 JHADRO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC001311535027 1069427861 /nfs/dbraw/zinc/42/78/61/1069427861.db2.gz HGURLPTVRPTXTO-OAQYLSRUSA-N 1 0 453.469 3.889 20 0 JHADRO CCC(CC)[C@H](CNC(=O)N[C@@H](C)Cc1cc(Br)ccc1F)[NH+]1CCOCC1 ZINC001311535518 1069427889 /nfs/dbraw/zinc/42/78/89/1069427889.db2.gz TXGJUAZUOLYLDX-YWZLYKJASA-N 1 0 458.416 3.955 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001306689513 1069426904 /nfs/dbraw/zinc/42/69/04/1069426904.db2.gz XRDLDRJAYDEKMR-HSZRJFAPSA-N 1 0 487.599 3.728 20 0 JHADRO CC(C)[C@H](CNC(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1)[NH+]1CCN(C)CC1 ZINC001311535824 1069428545 /nfs/dbraw/zinc/42/85/45/1069428545.db2.gz KFGKQAMTFPRPRA-PKTZIBPZSA-N 1 0 456.610 3.724 20 0 JHADRO CCCCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001306691833 1069429081 /nfs/dbraw/zinc/42/90/81/1069429081.db2.gz MRSYDFHNOPYYIU-UHFFFAOYSA-N 1 0 464.662 3.783 20 0 JHADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC001311544981 1069432407 /nfs/dbraw/zinc/43/24/07/1069432407.db2.gz XCTVRTCFKGWUOU-DEOSSOPVSA-N 1 0 450.627 3.896 20 0 JHADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CCCS(=O)(=O)C1 ZINC001311539129 1069430895 /nfs/dbraw/zinc/43/08/95/1069430895.db2.gz XJADLBNIUOHVDI-OAQYLSRUSA-N 1 0 455.624 3.573 20 0 JHADRO COC(=O)c1cc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1OC ZINC001311540424 1069431375 /nfs/dbraw/zinc/43/13/75/1069431375.db2.gz DQXZFVYJIJPGIM-FRIKZZABSA-N 1 0 451.567 3.867 20 0 JHADRO CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001306703122 1069439200 /nfs/dbraw/zinc/43/92/00/1069439200.db2.gz IUOYUULQZXDVIT-FQEVSTJZSA-N 1 0 489.462 3.559 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)c1cccc(F)c1 ZINC001311568902 1069442067 /nfs/dbraw/zinc/44/20/67/1069442067.db2.gz HVJOGYGYVQTJOQ-QHCPKHFHSA-N 1 0 456.562 3.776 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001311566213 1069440708 /nfs/dbraw/zinc/44/07/08/1069440708.db2.gz KXXVUDLJBRVPBE-HZPDHXFCSA-N 1 0 450.546 3.596 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F)Cc1ccccc1 ZINC001311566883 1069440791 /nfs/dbraw/zinc/44/07/91/1069440791.db2.gz CEJFKKXFAYBHAP-OAQYLSRUSA-N 1 0 458.578 3.823 20 0 JHADRO CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001306714578 1069445605 /nfs/dbraw/zinc/44/56/05/1069445605.db2.gz NLWKJAVYPYODHD-UHFFFAOYSA-N 1 0 458.626 3.791 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C1CCOCC1)C1(CO)CCC1)c1ccccc1Cl ZINC001311570509 1069442594 /nfs/dbraw/zinc/44/25/94/1069442594.db2.gz ZEMFLDSUXGOTHH-FGZHOGPDSA-N 1 0 452.039 3.980 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)Cc1ccccc1 ZINC001311571475 1069443245 /nfs/dbraw/zinc/44/32/45/1069443245.db2.gz LNCCYALURHMPOQ-PZJWPPBQSA-N 1 0 451.489 3.841 20 0 JHADRO COc1cccc([C@H](CNC(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)[NH+](C)C)c1 ZINC001311571322 1069443256 /nfs/dbraw/zinc/44/32/56/1069443256.db2.gz PNYGMJMBPMXNNV-BTZRARBUSA-N 1 0 455.599 3.923 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1)c1cccc(F)c1 ZINC001311572443 1069444013 /nfs/dbraw/zinc/44/40/13/1069444013.db2.gz SLXRPEIHPHAZDJ-RTWAWAEBSA-N 1 0 452.530 3.779 20 0 JHADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001311574053 1069445028 /nfs/dbraw/zinc/44/50/28/1069445028.db2.gz ARRJECXTEBGBPW-QZTJIDSGSA-N 1 0 450.967 3.782 20 0 JHADRO COc1cccc([C@H](CNC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)[NH+]2CCCC2)c1 ZINC001311581444 1069448712 /nfs/dbraw/zinc/44/87/12/1069448712.db2.gz QOVDJZZTIKDPRM-KAOXLYBCSA-N 1 0 455.603 3.525 20 0 JHADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC001311583577 1069449788 /nfs/dbraw/zinc/44/97/88/1069449788.db2.gz KOGKTBKSIVJIKF-RTBURBONSA-N 1 0 454.681 3.683 20 0 JHADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC001311583575 1069449978 /nfs/dbraw/zinc/44/99/78/1069449978.db2.gz KOGKTBKSIVJIKF-OALUTQOASA-N 1 0 454.681 3.683 20 0 JHADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC001311591063 1069454255 /nfs/dbraw/zinc/45/42/55/1069454255.db2.gz NASHRDWEGWJNOI-UHFFFAOYSA-N 1 0 450.004 3.729 20 0 JHADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC001311595130 1069456778 /nfs/dbraw/zinc/45/67/78/1069456778.db2.gz NVCBFYOZAKQFGH-SJORKVTESA-N 1 0 458.632 3.549 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCS(=O)CC1 ZINC001306721739 1069458338 /nfs/dbraw/zinc/45/83/38/1069458338.db2.gz BPKHAJMQRIETII-GOSISDBHSA-N 1 0 450.052 3.822 20 0 JHADRO CC[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC001311609112 1069461462 /nfs/dbraw/zinc/46/14/62/1069461462.db2.gz ZJZQVUTXJCOFIR-HSZRJFAPSA-N 1 0 458.647 3.902 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)CC1 ZINC001306722251 1069459611 /nfs/dbraw/zinc/45/96/11/1069459611.db2.gz JKSJIYVBKBRICX-CTNGQTDRSA-N 1 0 477.650 3.781 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001306722512 1069460907 /nfs/dbraw/zinc/46/09/07/1069460907.db2.gz IIKQHDNPTIJZSQ-YADHBBJMSA-N 1 0 458.651 3.568 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H](C)CC(N)=O ZINC001306723203 1069462862 /nfs/dbraw/zinc/46/28/62/1069462862.db2.gz OVRCJFMRTCVPLO-PZJWPPBQSA-N 1 0 463.630 3.848 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001306723520 1069463391 /nfs/dbraw/zinc/46/33/91/1069463391.db2.gz SXCZFRCKQAMFJP-HXUWFJFHSA-N 1 0 474.053 3.740 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001306723686 1069463978 /nfs/dbraw/zinc/46/39/78/1069463978.db2.gz ULCZJWZGVULVRQ-HRTMPFAESA-N 1 0 455.651 3.811 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306724687 1069465820 /nfs/dbraw/zinc/46/58/20/1069465820.db2.gz ZCARKZYVXGQUPT-MJGOQNOKSA-N 1 0 483.082 3.517 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306725776 1069467214 /nfs/dbraw/zinc/46/72/14/1069467214.db2.gz HHSYLJPGTOHVDS-XMMPIXPASA-N 1 0 481.689 3.613 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001306725976 1069467663 /nfs/dbraw/zinc/46/76/63/1069467663.db2.gz IPVWDCFSPVUAFV-OAQYLSRUSA-N 1 0 458.626 3.969 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 ZINC001306726096 1069467883 /nfs/dbraw/zinc/46/78/83/1069467883.db2.gz KCZIJZDCMJTAFE-GXRSIYKFSA-N 1 0 497.775 3.945 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001306726000 1069467906 /nfs/dbraw/zinc/46/79/06/1069467906.db2.gz JBUIGSCEVZUTAV-GCJKJVERSA-N 1 0 490.599 3.790 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001306727340 1069472197 /nfs/dbraw/zinc/47/21/97/1069472197.db2.gz PUDBENZMJAZEIW-YADHBBJMSA-N 1 0 490.693 3.884 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OC)CC1 ZINC001306727559 1069472850 /nfs/dbraw/zinc/47/28/50/1069472850.db2.gz DVRYJEHELYBCTN-DEOSSOPVSA-N 1 0 482.673 3.996 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001306728100 1069473699 /nfs/dbraw/zinc/47/36/99/1069473699.db2.gz SLFXIGZHBIKGGD-UXHICEINSA-N 1 0 466.552 3.686 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306727929 1069473755 /nfs/dbraw/zinc/47/37/55/1069473755.db2.gz SHRSJLXREVJMLM-ACRUOGEOSA-N 1 0 476.666 3.540 20 0 JHADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001311625583 1069474945 /nfs/dbraw/zinc/47/49/45/1069474945.db2.gz OEOCZIMUNWALQE-UHFFFAOYSA-N 1 0 452.386 3.905 20 0 JHADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC001311641236 1069485886 /nfs/dbraw/zinc/48/58/86/1069485886.db2.gz VNSIDXJUXQKYKJ-PXNSSMCTSA-N 1 0 450.421 3.766 20 0 JHADRO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)N2CCOCC2)cc1 ZINC001311638361 1069483922 /nfs/dbraw/zinc/48/39/22/1069483922.db2.gz YIALLRDLQQUVJI-AOHZBQACSA-N 1 0 456.656 3.812 20 0 JHADRO CC(C)(CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1)C[NH+]1CCCC1 ZINC001311639683 1069484821 /nfs/dbraw/zinc/48/48/21/1069484821.db2.gz HTVOBLPLPLMZIV-UHFFFAOYSA-N 1 0 452.437 3.919 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@@H](C)C1 ZINC001306731111 1069485023 /nfs/dbraw/zinc/48/50/23/1069485023.db2.gz PIDHWGDQBZXAPV-PMACEKPBSA-N 1 0 474.675 3.539 20 0 JHADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC001311640492 1069485398 /nfs/dbraw/zinc/48/53/98/1069485398.db2.gz OOUGMEXXFVCCOE-XLIONFOSSA-N 1 0 450.421 3.766 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001306731623 1069486980 /nfs/dbraw/zinc/48/69/80/1069486980.db2.gz RVAFJECFQHKHSW-GPJHCHHRSA-N 1 0 477.694 3.908 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001306732169 1069488711 /nfs/dbraw/zinc/48/87/11/1069488711.db2.gz VFIKMQQPRFTXON-DEOSSOPVSA-N 1 0 482.673 3.879 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001306733401 1069492186 /nfs/dbraw/zinc/49/21/86/1069492186.db2.gz XRYMNBOYDLSBHQ-QHCPKHFHSA-N 1 0 481.693 3.781 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001306733471 1069493323 /nfs/dbraw/zinc/49/33/23/1069493323.db2.gz YUYWMAVZMGAPNY-DEOSSOPVSA-N 1 0 482.673 3.797 20 0 JHADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC001311664026 1069493446 /nfs/dbraw/zinc/49/34/46/1069493446.db2.gz HIXFCRGXWSFAOZ-YKSBVNFPSA-N 1 0 456.631 3.990 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001306733762 1069495045 /nfs/dbraw/zinc/49/50/45/1069495045.db2.gz ZRHUXLJTOUBUKO-FPOVZHCZSA-N 1 0 488.702 3.785 20 0 JHADRO O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001311669161 1069496824 /nfs/dbraw/zinc/49/68/24/1069496824.db2.gz AIHOXPKTYCGCRL-UHFFFAOYSA-N 1 0 450.023 3.675 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCOC3)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001306735119 1069498991 /nfs/dbraw/zinc/49/89/91/1069498991.db2.gz WLEFESFYQVJWHW-GSPCLOLRSA-N 1 0 474.694 3.568 20 0 JHADRO Cc1ccc(C[C@@H](CO)CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC001311693736 1069506744 /nfs/dbraw/zinc/50/67/44/1069506744.db2.gz NCKJTXUHWREXOC-QFBILLFUSA-N 1 0 454.453 3.718 20 0 JHADRO O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001311695880 1069507943 /nfs/dbraw/zinc/50/79/43/1069507943.db2.gz GMKNMFINCDMCIU-OALUTQOASA-N 1 0 457.562 3.633 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001306737979 1069508234 /nfs/dbraw/zinc/50/82/34/1069508234.db2.gz XUEZIPSAKVXWFY-RTWAWAEBSA-N 1 0 469.678 3.916 20 0 JHADRO O=C(NC[C@]1(N2CCOCC2)CCSC1)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC001311699492 1069509663 /nfs/dbraw/zinc/50/96/63/1069509663.db2.gz IQXCGWZURRLCIA-OAQYLSRUSA-N 1 0 457.562 3.835 20 0 JHADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001311712591 1069514599 /nfs/dbraw/zinc/51/45/99/1069514599.db2.gz DDUHJFMPKSDEHN-ZWKOTPCHSA-N 1 0 450.461 3.540 20 0 JHADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC001311724157 1069522166 /nfs/dbraw/zinc/52/21/66/1069522166.db2.gz SOROYKIYYZNIRV-UHFFFAOYSA-N 1 0 451.398 3.966 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306743542 1069522812 /nfs/dbraw/zinc/52/28/12/1069522812.db2.gz JSOXZCGIESRELL-DHIUTWEWSA-N 1 0 495.716 3.907 20 0 JHADRO CN1CC[NH+](CC2(C)CCN(C(=O)N[C@H]3CCCc4cc(OC(F)F)ccc43)CC2)CC1 ZINC001311727213 1069523452 /nfs/dbraw/zinc/52/34/52/1069523452.db2.gz KJCIOWSRSMYDIJ-NRFANRHFSA-N 1 0 450.574 3.725 20 0 JHADRO 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C[C@H](NC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC001312153424 1069751758 /nfs/dbraw/zinc/75/17/58/1069751758.db2.gz LDHHWGUICWFDGD-YADHBBJMSA-N 1 0 450.627 3.848 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(Br)s3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001307033772 1069748291 /nfs/dbraw/zinc/74/82/91/1069748291.db2.gz MHOIXYKGOWNWSO-UHFFFAOYSA-N 1 0 495.491 3.593 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307033790 1069748374 /nfs/dbraw/zinc/74/83/74/1069748374.db2.gz DPLXEDDBUHPASM-FPOVZHCZSA-N 1 0 469.634 3.566 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@@H](C)CC2)C1 ZINC001307034268 1069750596 /nfs/dbraw/zinc/75/05/96/1069750596.db2.gz OPLZHWXDIJCTDH-WOJBJXKFSA-N 1 0 459.660 3.707 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(OC)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001307034284 1069750614 /nfs/dbraw/zinc/75/06/14/1069750614.db2.gz OSLPMWVSFFRNCZ-NRFANRHFSA-N 1 0 482.673 3.769 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@H](C)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001314191555 1069753438 /nfs/dbraw/zinc/75/34/38/1069753438.db2.gz BNPNRXIGOFXCLN-WOJBJXKFSA-N 1 0 457.619 3.774 20 0 JHADRO O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001312156167 1069755539 /nfs/dbraw/zinc/75/55/39/1069755539.db2.gz PZSCAOCKNVEQGT-UHFFFAOYSA-N 1 0 457.578 3.528 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001307036166 1069756166 /nfs/dbraw/zinc/75/61/66/1069756166.db2.gz ZPBFDOGZUHFOJD-VQTJNVASSA-N 1 0 471.650 3.698 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2C[C@@](C)(O)CC)cc1 ZINC001314193301 1069760124 /nfs/dbraw/zinc/76/01/24/1069760124.db2.gz ZXINZPIYCBBFGC-ZDQHKECQSA-N 1 0 457.619 3.651 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001307038160 1069760370 /nfs/dbraw/zinc/76/03/70/1069760370.db2.gz AXANWEFYAWNSLR-UHFFFAOYSA-N 1 0 475.081 3.995 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001307038050 1069760452 /nfs/dbraw/zinc/76/04/52/1069760452.db2.gz YUROEFGBBDVUCE-UHFFFAOYSA-N 1 0 478.428 3.947 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC)nnc2N2CCN([C@@H](C)c3cccc(OC)c3)CC2)CC1 ZINC001307038578 1069761662 /nfs/dbraw/zinc/76/16/62/1069761662.db2.gz IAPWYEIYKIOEOD-NRFANRHFSA-N 1 0 454.663 3.854 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3C)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001307039074 1069762884 /nfs/dbraw/zinc/76/28/84/1069762884.db2.gz PKIZHULJDMMWHA-UHFFFAOYSA-N 1 0 453.631 3.689 20 0 JHADRO COc1ccc(CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H](C)C2CC2)cc1 ZINC001312171818 1069765079 /nfs/dbraw/zinc/76/50/79/1069765079.db2.gz VWWSBZZRKMFWLW-IBGZPJMESA-N 1 0 458.647 3.632 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](NC(=O)CC)C2)CC1 ZINC001307040497 1069767033 /nfs/dbraw/zinc/76/70/33/1069767033.db2.gz BSOGZZZHNAHTFS-QHCPKHFHSA-N 1 0 482.673 3.783 20 0 JHADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001312182581 1069769156 /nfs/dbraw/zinc/76/91/56/1069769156.db2.gz RQPSUHDADHUDDU-UHFFFAOYSA-N 1 0 455.466 3.745 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC001307040681 1069767525 /nfs/dbraw/zinc/76/75/25/1069767525.db2.gz CVSSMFVKZJZUBV-OPNPCTOBSA-N 1 0 497.713 3.806 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)C1 ZINC001307040804 1069767628 /nfs/dbraw/zinc/76/76/28/1069767628.db2.gz XWGUIEAYGDZZPP-VXKWHMMOSA-N 1 0 482.673 3.674 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC001314195159 1069768502 /nfs/dbraw/zinc/76/85/02/1069768502.db2.gz CIUYWQGWLBOPHT-VSKRKVRLSA-N 1 0 498.672 3.748 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001307041097 1069768593 /nfs/dbraw/zinc/76/85/93/1069768593.db2.gz FYONUDPFXJNONJ-OALUTQOASA-N 1 0 458.676 3.874 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001307041682 1069769457 /nfs/dbraw/zinc/76/94/57/1069769457.db2.gz HFCDIVQAUCCUFN-PZJWPPBQSA-N 1 0 476.666 3.745 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001307041786 1069770096 /nfs/dbraw/zinc/77/00/96/1069770096.db2.gz LZVUNHXKAVYPQK-INIZCTEOSA-N 1 0 482.576 3.700 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 ZINC001307041983 1069770544 /nfs/dbraw/zinc/77/05/44/1069770544.db2.gz OEXKMYIAQDQMIW-FGZHOGPDSA-N 1 0 469.630 3.595 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(Br)cc2)C1 ZINC001307042005 1069770836 /nfs/dbraw/zinc/77/08/36/1069770836.db2.gz OTIKQTLUUSETSL-IBGZPJMESA-N 1 0 489.462 3.531 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 ZINC001307042572 1069772039 /nfs/dbraw/zinc/77/20/39/1069772039.db2.gz TWXWEZBVGLAMLD-VWLOTQADSA-N 1 0 480.701 3.880 20 0 JHADRO C[C@@H](CCNC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC001312190085 1069772547 /nfs/dbraw/zinc/77/25/47/1069772547.db2.gz OFSNOELRRBQOHZ-NRFANRHFSA-N 1 0 459.034 3.957 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001307042901 1069773801 /nfs/dbraw/zinc/77/38/01/1069773801.db2.gz WJVGGJVNXRBWFR-OAQYLSRUSA-N 1 0 452.647 3.762 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCSCC2)C1 ZINC001307044898 1069779485 /nfs/dbraw/zinc/77/94/85/1069779485.db2.gz UHQZMTNWGILGSM-LJQANCHMSA-N 1 0 478.707 3.678 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCC(CC(F)(F)F)CC3)nnc2[C@@]2(OCC)CCOC2)C1 ZINC001307044771 1069779515 /nfs/dbraw/zinc/77/95/15/1069779515.db2.gz BMKUXUCLVQNQND-DENIHFKCSA-N 1 0 473.584 3.831 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCO[C@H](c3ccc(Cl)s3)C2)C1 ZINC001307043780 1069776073 /nfs/dbraw/zinc/77/60/73/1069776073.db2.gz AZYWUBSOIZEPOI-SJORKVTESA-N 1 0 454.040 3.839 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001307044308 1069777413 /nfs/dbraw/zinc/77/74/13/1069777413.db2.gz PMMAKAOXMKMLPG-SIKLNZKXSA-N 1 0 489.686 3.505 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001307044553 1069777804 /nfs/dbraw/zinc/77/78/04/1069777804.db2.gz QSGVQIHTMSEVSS-OAQYLSRUSA-N 1 0 452.647 3.561 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001312203733 1069778959 /nfs/dbraw/zinc/77/89/59/1069778959.db2.gz FSLZXDYAWZDZRO-VWLOTQADSA-N 1 0 455.574 3.673 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(C(N)=O)(c3ccccc3)CC2)C1 ZINC001307045854 1069783098 /nfs/dbraw/zinc/78/30/98/1069783098.db2.gz XHRMTRGCQXBWPS-NRFANRHFSA-N 1 0 466.674 3.622 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@H](OC)C3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001314198773 1069785062 /nfs/dbraw/zinc/78/50/62/1069785062.db2.gz KKBYDMMWMSUESJ-SXWKCWPCSA-N 1 0 457.619 3.916 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(=O)NC)C3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001314198401 1069783366 /nfs/dbraw/zinc/78/33/66/1069783366.db2.gz PQKSFWQGZBFWAL-VSKRKVRLSA-N 1 0 498.672 3.654 20 0 JHADRO CC1CCC([NH+]2CCN(C(=O)NCc3nnc4c(Cl)cc(C(F)(F)F)cn34)CC2)CC1 ZINC001312208532 1069783440 /nfs/dbraw/zinc/78/34/40/1069783440.db2.gz YAEYVDJLNHZRBB-UHFFFAOYSA-N 1 0 458.916 3.807 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001307045935 1069783811 /nfs/dbraw/zinc/78/38/11/1069783811.db2.gz IFDISDCGFZROBD-GOSISDBHSA-N 1 0 469.556 3.640 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)cc3F)n2CCCC(=O)N(C)C)CC1 ZINC001307045003 1069780129 /nfs/dbraw/zinc/78/01/29/1069780129.db2.gz DAZQLIIKWVTPHK-UHFFFAOYSA-N 1 0 465.017 3.917 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001307046611 1069784491 /nfs/dbraw/zinc/78/44/91/1069784491.db2.gz WTKWQVBXAVIFBN-UPVQGACJSA-N 1 0 455.647 3.870 20 0 JHADRO CCOc1ccc2c(c1)CN(c1nnc([C@H]3CCC(=O)N3)n1CCC[NH+](C(C)C)C(C)C)CC2 ZINC001314197867 1069781525 /nfs/dbraw/zinc/78/15/25/1069781525.db2.gz FNJYLQWIEHRGBR-HSZRJFAPSA-N 1 0 468.646 3.700 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCCO2)CC1 ZINC001307045274 1069781759 /nfs/dbraw/zinc/78/17/59/1069781759.db2.gz GIJZCYCCLSDFQU-OAQYLSRUSA-N 1 0 457.619 3.842 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2nnc(C)s2)CC1 ZINC001307046251 1069784702 /nfs/dbraw/zinc/78/47/02/1069784702.db2.gz UZUUZBULHJWLTR-UHFFFAOYSA-N 1 0 485.658 3.676 20 0 JHADRO COc1ccc(Cl)cc1NC(=O)CCNC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC001312206720 1069782133 /nfs/dbraw/zinc/78/21/33/1069782133.db2.gz YQCNCLBPIIMTIF-UHFFFAOYSA-N 1 0 458.990 3.903 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N3CC=C(C(F)(F)F)CC3)nnc2[C@]2(OCC)CCOC2)CC1 ZINC001307047541 1069790015 /nfs/dbraw/zinc/79/00/15/1069790015.db2.gz UYJQECJQOJNAFC-QFIPXVFZSA-N 1 0 471.568 3.751 20 0 JHADRO 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20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001307047591 1069789904 /nfs/dbraw/zinc/78/99/04/1069789904.db2.gz VXGFMCHIPQAJSL-XLIONFOSSA-N 1 0 498.118 3.579 20 0 JHADRO O=C(NCCc1nc2cc(Cl)ccc2s1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001312226680 1069793041 /nfs/dbraw/zinc/79/30/41/1069793041.db2.gz LJDCMACWKIDHKH-IEBWSBKVSA-N 1 0 459.015 3.674 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(Cl)c3)n2CCCc2cnn(C)n2)CC1 ZINC001307048242 1069793451 /nfs/dbraw/zinc/79/34/51/1069793451.db2.gz BJIZIYXLCXVOQS-UHFFFAOYSA-N 1 0 457.026 3.670 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)CC)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC001307048690 1069793938 /nfs/dbraw/zinc/79/39/38/1069793938.db2.gz GAILOZXMIYJUES-IBGZPJMESA-N 1 0 461.676 3.695 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccn3)n2CCOc2ncccc2Cl)CC1 ZINC001307050432 1069800094 /nfs/dbraw/zinc/80/00/94/1069800094.db2.gz WEDBRXAROIFTNK-UHFFFAOYSA-N 1 0 455.994 3.778 20 0 JHADRO 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CCO[C@@H]1CCCN(c2nnc(-c3noc4c3COCC4)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001314277697 1070038270 /nfs/dbraw/zinc/03/82/70/1070038270.db2.gz POYDXURDEMTRDB-LJQANCHMSA-N 1 0 460.623 3.520 20 0 JHADRO CCn1c2nnc(C[NH2+]C(C)(C)Cc3ccc(Br)cc3)n2c2ccccc2c1=O ZINC001307553836 1070049090 /nfs/dbraw/zinc/04/90/90/1070049090.db2.gz UMGLWOGEOHTCFY-UHFFFAOYSA-N 1 0 454.372 3.938 20 0 JHADRO CCOc1ccnc(N2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC2)n1 ZINC001307579106 1070062036 /nfs/dbraw/zinc/06/20/36/1070062036.db2.gz KHKYSXTYFAVMMI-SEJPIABJSA-N 1 0 459.635 3.956 20 0 JHADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC001312646805 1070060945 /nfs/dbraw/zinc/06/09/45/1070060945.db2.gz QGNVTOUNGZVHGX-LPHOPBHVSA-N 1 0 453.414 3.862 20 0 JHADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC001307576247 1070061491 /nfs/dbraw/zinc/06/14/91/1070061491.db2.gz HSZMDKVSHDWIRF-UHFFFAOYSA-N 1 0 455.356 3.510 20 0 JHADRO Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)NC[C@H]4[N@H+](C)CCCC4(C)C)CC3)n2)cc1 ZINC001312647851 1070061480 /nfs/dbraw/zinc/06/14/80/1070061480.db2.gz HJLBDHKQYUWWJA-TZIWHRDSSA-N 1 0 454.619 3.554 20 0 JHADRO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001307588629 1070067882 /nfs/dbraw/zinc/06/78/82/1070067882.db2.gz YTHOZVPOTNKKRD-XLGIIRLISA-N 1 0 450.627 3.550 20 0 JHADRO C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC001312660442 1070067937 /nfs/dbraw/zinc/06/79/37/1070067937.db2.gz ODJIDOCXWVYFBY-DDBAPUKQSA-N 1 0 458.525 3.775 20 0 JHADRO C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC001312660445 1070068106 /nfs/dbraw/zinc/06/81/06/1070068106.db2.gz ODJIDOCXWVYFBY-HPBDAGMYSA-N 1 0 458.525 3.775 20 0 JHADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC001307597498 1070072250 /nfs/dbraw/zinc/07/22/50/1070072250.db2.gz JHHTTWPCIKYDAV-PIFVYSLYSA-N 1 0 452.595 3.948 20 0 JHADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001307595333 1070071649 /nfs/dbraw/zinc/07/16/49/1070071649.db2.gz AYMBLXQDLHUOQW-FSSWDIPSSA-N 1 0 457.619 3.535 20 0 JHADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC001312679484 1070078555 /nfs/dbraw/zinc/07/85/55/1070078555.db2.gz ZAPUCQGDKCXSQA-RYTRXMBJSA-N 1 0 478.634 3.813 20 0 JHADRO CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@@H+]3CC[C@@H](C(C)(C)C)C3)C2=O)cc1 ZINC001307603007 1070077754 /nfs/dbraw/zinc/07/77/54/1070077754.db2.gz LOJFLCSHNWQIFW-SQVRNEIYSA-N 1 0 459.612 3.606 20 0 JHADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N3CCN(c4ncccn4)CC3)cc2)c1 ZINC001307610050 1070080676 /nfs/dbraw/zinc/08/06/76/1070080676.db2.gz GPQSUTJWCLIFTL-YADHBBJMSA-N 1 0 459.594 3.752 20 0 JHADRO CCOCc1nnc(N(C)CC(=O)Nc2cccc(C)c2C)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001314299792 1070083688 /nfs/dbraw/zinc/08/36/88/1070083688.db2.gz XHYPZXIGUNXRQQ-OAQYLSRUSA-N 1 0 454.619 3.523 20 0 JHADRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC001307617569 1070083725 /nfs/dbraw/zinc/08/37/25/1070083725.db2.gz SXNICUWAHJMRES-LJQANCHMSA-N 1 0 456.967 3.904 20 0 JHADRO CCOCc1nnc(N(C)Cc2cc(Cl)ccc2OC)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001314300577 1070083999 /nfs/dbraw/zinc/08/39/99/1070083999.db2.gz GUJWHIYYKINWJN-UHFFFAOYSA-N 1 0 478.037 3.758 20 0 JHADRO C[C@@H]([NH2+][C@H]1CCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001307624422 1070087158 /nfs/dbraw/zinc/08/71/58/1070087158.db2.gz YLGNBQQCOBKMRT-IERDGZPVSA-N 1 0 455.530 3.671 20 0 JHADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@H]3C[C@@]4(CCN(C(=O)OC(C)(C)C)C4)CO3)ccc2NC1=O ZINC001307626339 1070087639 /nfs/dbraw/zinc/08/76/39/1070087639.db2.gz IOCCPJLYKGTOMI-RZJWPFCGSA-N 1 0 459.587 3.863 20 0 JHADRO CCOCc1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314302762 1070087866 /nfs/dbraw/zinc/08/78/66/1070087866.db2.gz KMXFBYOPVLSTAL-FGZHOGPDSA-N 1 0 452.603 3.816 20 0 JHADRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC001307629755 1070089286 /nfs/dbraw/zinc/08/92/86/1070089286.db2.gz FEIOQQTUDFUPEP-IBGZPJMESA-N 1 0 459.612 3.938 20 0 JHADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC001307632232 1070090896 /nfs/dbraw/zinc/09/08/96/1070090896.db2.gz VQNNDYSDVDNJIR-XCGNWRKASA-N 1 0 459.516 3.812 20 0 JHADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)ccc1OC1CCCC1 ZINC001307632343 1070091191 /nfs/dbraw/zinc/09/11/91/1070091191.db2.gz QMUVIDHXXPXTLP-FXAWDEMLSA-N 1 0 453.539 3.545 20 0 JHADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001307638194 1070094315 /nfs/dbraw/zinc/09/43/15/1070094315.db2.gz YYFQMHLEKAYZFM-JKSUJKDBSA-N 1 0 451.539 3.817 20 0 JHADRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)NCCc2cccc(Cl)c2Cl)cc1 ZINC001307640725 1070096458 /nfs/dbraw/zinc/09/64/58/1070096458.db2.gz QBKMYXBVWFSZEY-NRFANRHFSA-N 1 0 450.410 3.624 20 0 JHADRO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1ccc(F)cc1 ZINC001312733842 1070097375 /nfs/dbraw/zinc/09/73/75/1070097375.db2.gz MTCKMQPVJAZVEZ-NQIIRXRSSA-N 1 0 457.500 3.884 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CCC[C@@H]1CC ZINC001314311604 1070098338 /nfs/dbraw/zinc/09/83/38/1070098338.db2.gz ISKYSLULGVZMBP-SEDAZVQISA-N 1 0 457.667 3.894 20 0 JHADRO CCOCc1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314312666 1070099526 /nfs/dbraw/zinc/09/95/26/1070099526.db2.gz STBFJGTUNWJDPZ-UMXIMWEHSA-N 1 0 473.687 3.856 20 0 JHADRO CSc1ccc([C@H](CNC(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001312753784 1070104494 /nfs/dbraw/zinc/10/44/94/1070104494.db2.gz OOBNUOOMFVOCCY-QRVBRYPASA-N 1 0 454.612 3.658 20 0 JHADRO CCOCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001314320336 1070104683 /nfs/dbraw/zinc/10/46/83/1070104683.db2.gz CKKUJDHMFRGOJG-VQTJNVASSA-N 1 0 456.635 3.888 20 0 JHADRO OCCOC1CC[NH+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001307654932 1070105244 /nfs/dbraw/zinc/10/52/44/1070105244.db2.gz VLBZAGJJANWQJE-NRFANRHFSA-N 1 0 454.394 3.934 20 0 JHADRO COc1cc(C)c([C@H](C)NC(=O)CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001307657054 1070106406 /nfs/dbraw/zinc/10/64/06/1070106406.db2.gz GRWIXLXPCMBOGY-ZZWZOVRCSA-N 1 0 453.627 3.936 20 0 JHADRO CCOCc1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001314323593 1070109673 /nfs/dbraw/zinc/10/96/73/1070109673.db2.gz GOISEIQNABEXOT-REWPJTCUSA-N 1 0 471.646 3.739 20 0 JHADRO CCOCc1nnc(N2CCC(=Cc3cccc(OC)c3)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001314323992 1070109720 /nfs/dbraw/zinc/10/97/20/1070109720.db2.gz AJIIBSWAOXZZKZ-QFIPXVFZSA-N 1 0 482.673 3.533 20 0 JHADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC001307662920 1070109782 /nfs/dbraw/zinc/10/97/82/1070109782.db2.gz NJTQMEMNYVRZTC-UYRXBGFRSA-N 1 0 451.386 3.518 20 0 JHADRO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC001307670932 1070114591 /nfs/dbraw/zinc/11/45/91/1070114591.db2.gz VTWJTILTBOGIIK-SJLPKXTDSA-N 1 0 456.591 3.652 20 0 JHADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCc3cc(Br)ccc3C2)CC1 ZINC001307677087 1070119496 /nfs/dbraw/zinc/11/94/96/1070119496.db2.gz IRVRZGUDCPDUCH-UHFFFAOYSA-N 1 0 456.428 3.896 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001314327349 1070115949 /nfs/dbraw/zinc/11/59/49/1070115949.db2.gz CWXZIJMQGDHLBL-QHCPKHFHSA-N 1 0 488.721 3.802 20 0 JHADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC001307678895 1070120559 /nfs/dbraw/zinc/12/05/59/1070120559.db2.gz KJQQEYFFLGASNN-HXUWFJFHSA-N 1 0 457.372 3.903 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001314330503 1070121536 /nfs/dbraw/zinc/12/15/36/1070121536.db2.gz AOSOEDGRBBOUGL-NRFANRHFSA-N 1 0 474.694 3.744 20 0 JHADRO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)cc1OC ZINC001307691958 1070129111 /nfs/dbraw/zinc/12/91/11/1070129111.db2.gz DGYHZAYDABDONK-CTNGQTDRSA-N 1 0 450.583 3.813 20 0 JHADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC001312797425 1070127327 /nfs/dbraw/zinc/12/73/27/1070127327.db2.gz LIWRFFIVDYSFCY-LJQANCHMSA-N 1 0 450.608 3.889 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001314336963 1070131784 /nfs/dbraw/zinc/13/17/84/1070131784.db2.gz FRHPFIHYSQBZSC-JOCHJYFZSA-N 1 0 482.673 3.707 20 0 JHADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307694521 1070132014 /nfs/dbraw/zinc/13/20/14/1070132014.db2.gz VEOGTRYMUXMCPO-OALUTQOASA-N 1 0 451.633 3.866 20 0 JHADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2ncsc2c1 ZINC001307701533 1070135161 /nfs/dbraw/zinc/13/51/61/1070135161.db2.gz YCRBCYPILLOOID-INIZCTEOSA-N 1 0 458.609 3.760 20 0 JHADRO CC[C@H]([NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1)c1cc(F)cc(Br)c1 ZINC001307697553 1070133533 /nfs/dbraw/zinc/13/35/33/1070133533.db2.gz UTQWHZZPXIPJHX-ROUUACIJSA-N 1 0 450.308 3.507 20 0 JHADRO CCOCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314338756 1070134865 /nfs/dbraw/zinc/13/48/65/1070134865.db2.gz IUUCJTUVOADNID-NHCUHLMSSA-N 1 0 474.694 3.600 20 0 JHADRO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001312812535 1070136325 /nfs/dbraw/zinc/13/63/25/1070136325.db2.gz BOHSLNFCWIESSP-INIZCTEOSA-N 1 0 453.425 3.930 20 0 JHADRO CCOCc1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001314341494 1070140212 /nfs/dbraw/zinc/14/02/12/1070140212.db2.gz XNIQUFCRYMQGAD-HSZRJFAPSA-N 1 0 451.619 3.543 20 0 JHADRO CCOCc1nnc(N2CCC(c3cnn(CC)c3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001314338733 1070135410 /nfs/dbraw/zinc/13/54/10/1070135410.db2.gz GPWZBBOPKPYFHD-OAQYLSRUSA-N 1 0 457.667 3.783 20 0 JHADRO COc1cc(OC)cc(C2(F)CC[NH+](C[C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001307720938 1070145990 /nfs/dbraw/zinc/14/59/90/1070145990.db2.gz BTUIJAVEFSOJQF-HSZRJFAPSA-N 1 0 452.567 3.726 20 0 JHADRO Cc1c(Cl)cccc1NC(=O)CNC(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001307716289 1070142315 /nfs/dbraw/zinc/14/23/15/1070142315.db2.gz NWIRBKHIZXWFDR-JOCHJYFZSA-N 1 0 457.018 3.593 20 0 JHADRO Cc1ccccc1[C@]1(F)CC[N@H+](CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC001307717156 1070142528 /nfs/dbraw/zinc/14/25/28/1070142528.db2.gz GPBVAOPXSBQOON-DEOSSOPVSA-N 1 0 459.587 3.679 20 0 JHADRO CCOCc1nnc(N2CCC(Cn3cc(C)cn3)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001314342676 1070144174 /nfs/dbraw/zinc/14/41/74/1070144174.db2.gz WWTXNRCMUFJQNK-HSZRJFAPSA-N 1 0 451.619 3.539 20 0 JHADRO COc1ccc(OC)c(CN(CCO)C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001312826242 1070144709 /nfs/dbraw/zinc/14/47/09/1070144709.db2.gz ZUEWYURFNMVAEO-JOCHJYFZSA-N 1 0 455.599 3.510 20 0 JHADRO CCOCc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001314346016 1070151246 /nfs/dbraw/zinc/15/12/46/1070151246.db2.gz CXPHHEWYJNRZAT-HXUWFJFHSA-N 1 0 497.562 3.554 20 0 JHADRO C[C@@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(=O)NCc1ccccc1 ZINC001312840182 1070149918 /nfs/dbraw/zinc/14/99/18/1070149918.db2.gz RXTJVVUHZGKLBW-RFLWCCGPSA-N 1 0 474.580 3.798 20 0 JHADRO CCOCc1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314349092 1070162117 /nfs/dbraw/zinc/16/21/17/1070162117.db2.gz KBTCRHTUCSZXIL-UHFFFAOYSA-N 1 0 473.637 3.650 20 0 JHADRO CCOCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314348648 1070159044 /nfs/dbraw/zinc/15/90/44/1070159044.db2.gz DSYHOCUYMROUGK-FPOVZHCZSA-N 1 0 478.682 3.819 20 0 JHADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001307762584 1070172532 /nfs/dbraw/zinc/17/25/32/1070172532.db2.gz XTTIRGQPDAUWOV-LJQANCHMSA-N 1 0 459.432 3.526 20 0 JHADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001307760649 1070172047 /nfs/dbraw/zinc/17/20/47/1070172047.db2.gz MKVMTWUCJACKRO-JOCHJYFZSA-N 1 0 450.410 3.957 20 0 JHADRO CCOCc1nnc(N2CCC(OCc3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314353201 1070173787 /nfs/dbraw/zinc/17/37/87/1070173787.db2.gz WGDRJYWMWCPSRF-FGZHOGPDSA-N 1 0 485.673 3.888 20 0 JHADRO CC(C)C[C@H](NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)C(=O)N1CCOCC1 ZINC001312913192 1070177408 /nfs/dbraw/zinc/17/74/08/1070177408.db2.gz SUTZSZHZLIPLLS-DEOSSOPVSA-N 1 0 458.647 3.524 20 0 JHADRO CCOCc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314358879 1070181350 /nfs/dbraw/zinc/18/13/50/1070181350.db2.gz OXGKPELOURADSZ-KSFYIVLOSA-N 1 0 481.567 3.697 20 0 JHADRO C[C@H]([NH2+]CC(=O)NCCc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC001307794056 1070184520 /nfs/dbraw/zinc/18/45/20/1070184520.db2.gz SGPPLVPGIQCAHS-HNNXBMFYSA-N 1 0 450.436 3.920 20 0 JHADRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC001307792560 1070184715 /nfs/dbraw/zinc/18/47/15/1070184715.db2.gz XXYJDKWLMXGYMG-FQEVSTJZSA-N 1 0 458.411 3.826 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC001307794592 1070184730 /nfs/dbraw/zinc/18/47/30/1070184730.db2.gz QAYSBWMPSJLNKB-HJOGWXRNSA-N 1 0 454.611 3.977 20 0 JHADRO CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001312932961 1070187289 /nfs/dbraw/zinc/18/72/89/1070187289.db2.gz ORHGNXGLLRFKIW-PKTZIBPZSA-N 1 0 456.612 3.646 20 0 JHADRO CCCC[N@H+](CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@@H]1CCC[C@@H](C)C1 ZINC001307801844 1070188709 /nfs/dbraw/zinc/18/87/09/1070188709.db2.gz BIWKSKLWAHPJAE-BCBQEALYSA-N 1 0 458.628 3.915 20 0 JHADRO OCC1(c2ccccc2)CCN(Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001307806310 1070191482 /nfs/dbraw/zinc/19/14/82/1070191482.db2.gz XDNVEZGUDRARIO-UHFFFAOYSA-N 1 0 451.880 3.861 20 0 JHADRO CC(C)(C)OC(=O)NCc1cn([C@@H]2CCC[N@H+](CCOc3ccc(F)c(Cl)c3)C2)nn1 ZINC001307818550 1070198546 /nfs/dbraw/zinc/19/85/46/1070198546.db2.gz HTGTWNJLWWAWRR-MRXNPFEDSA-N 1 0 453.946 3.811 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1CC[N@H+](C)C1CCCC1 ZINC001314365535 1070195726 /nfs/dbraw/zinc/19/57/26/1070195726.db2.gz BGQLEZWLFPYAPQ-SFHVURJKSA-N 1 0 469.556 3.746 20 0 JHADRO COc1ccc(C[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C(C)(C)C)cc1 ZINC001307816024 1070196977 /nfs/dbraw/zinc/19/69/77/1070196977.db2.gz ZDKGNFPWXGHMTF-UHFFFAOYSA-N 1 0 451.611 3.575 20 0 JHADRO CC(C)(C)OC(=O)NCCCCCC[NH+]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001307820157 1070199345 /nfs/dbraw/zinc/19/93/45/1070199345.db2.gz ZCGFUHUKKSTPJA-HXUWFJFHSA-N 1 0 454.656 3.699 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC001307819551 1070199394 /nfs/dbraw/zinc/19/93/94/1070199394.db2.gz MPZOCGJYCUPYCJ-CWFSZBLJSA-N 1 0 450.457 3.651 20 0 JHADRO COc1ccc(CN2CCN(C(=O)C[N@H+](C)[C@@H]3C[C@H](Oc4ccccc4)C3(C)C)CC2)cc1 ZINC001307820523 1070200502 /nfs/dbraw/zinc/20/05/02/1070200502.db2.gz LCTPANHOLJYIMN-RPBOFIJWSA-N 1 0 451.611 3.517 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001307830588 1070204398 /nfs/dbraw/zinc/20/43/98/1070204398.db2.gz LYZYOVZSISHSKG-OXJNMPFZSA-N 1 0 457.575 3.709 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314372277 1070209028 /nfs/dbraw/zinc/20/90/28/1070209028.db2.gz OZOJGBJMXNMTLV-CVEARBPZSA-N 1 0 461.554 3.727 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](n3nc(C)cc3C)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001314369920 1070206101 /nfs/dbraw/zinc/20/61/01/1070206101.db2.gz TYJLXUWISJQEAU-ISKFKSNPSA-N 1 0 465.646 3.990 20 0 JHADRO CC(C)OCc1ccccc1CNC(=O)C[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001307837584 1070206459 /nfs/dbraw/zinc/20/64/59/1070206459.db2.gz XDPUQFVXVHIDFX-XZOQPEGZSA-N 1 0 463.544 3.848 20 0 JHADRO C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC001307840909 1070207879 /nfs/dbraw/zinc/20/78/79/1070207879.db2.gz ZEGLVDCQYGUZTQ-FXAWDEMLSA-N 1 0 454.596 3.804 20 0 JHADRO CCc1oc(C(=O)OC)cc1C[NH+]1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001307840275 1070208185 /nfs/dbraw/zinc/20/81/85/1070208185.db2.gz QZRDVPACPVZLGX-UYAOXDASSA-N 1 0 450.576 3.913 20 0 JHADRO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)CCOc2ccccc2F)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307858245 1070213267 /nfs/dbraw/zinc/21/32/67/1070213267.db2.gz IXJOKZJZFAFWOZ-GUDVDZBRSA-N 1 0 451.583 3.534 20 0 JHADRO CCN(C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001312989236 1070212011 /nfs/dbraw/zinc/21/20/11/1070212011.db2.gz XBXCIGBLIDJDRV-XKCSPQBFSA-N 1 0 450.583 3.668 20 0 JHADRO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@H](CC)[C@@H]1CC1(C)C ZINC001307854326 1070212073 /nfs/dbraw/zinc/21/20/73/1070212073.db2.gz YTPFVJDEGSAYSZ-RBUKOAKNSA-N 1 0 451.633 3.613 20 0 JHADRO CCOCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCc1cc(OC)ccc1OC ZINC001314375494 1070214968 /nfs/dbraw/zinc/21/49/68/1070214968.db2.gz IOKFDYCXHVYDME-UHFFFAOYSA-N 1 0 459.635 3.775 20 0 JHADRO CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001313004101 1070218707 /nfs/dbraw/zinc/21/87/07/1070218707.db2.gz TZXKWXLDDGPIDQ-MRXNPFEDSA-N 1 0 456.425 3.613 20 0 JHADRO CCOCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001314378576 1070221311 /nfs/dbraw/zinc/22/13/11/1070221311.db2.gz MBAUWRINXBFQRX-UHFFFAOYSA-N 1 0 490.530 3.711 20 0 JHADRO CCN(C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001313018601 1070223413 /nfs/dbraw/zinc/22/34/13/1070223413.db2.gz UJIJGBVBHCLVIQ-DNQXCXABSA-N 1 0 457.018 3.851 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314384228 1070228261 /nfs/dbraw/zinc/22/82/61/1070228261.db2.gz BFPKMJSVDPMXEQ-NJDAHSKKSA-N 1 0 478.682 3.628 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001314383839 1070227615 /nfs/dbraw/zinc/22/76/15/1070227615.db2.gz GMRPYDKMWIIOSN-UHFFFAOYSA-N 1 0 474.694 3.556 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001307884111 1070223892 /nfs/dbraw/zinc/22/38/92/1070223892.db2.gz JLVIOGQLKQWTJH-LOSJGSFVSA-N 1 0 458.558 3.877 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001314383976 1070228236 /nfs/dbraw/zinc/22/82/36/1070228236.db2.gz UZYHFVIZRQFQHG-UHFFFAOYSA-N 1 0 496.681 3.727 20 0 JHADRO Cc1cc(C)c(NC(=O)CNC(=O)CN2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)c(C)c1 ZINC001307893085 1070228538 /nfs/dbraw/zinc/22/85/38/1070228538.db2.gz FXXDRXPMQFYEPB-RJGXRXQPSA-N 1 0 450.627 3.650 20 0 JHADRO C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001307897328 1070230224 /nfs/dbraw/zinc/23/02/24/1070230224.db2.gz NEORSIHNVIONIZ-LAUBAEHRSA-N 1 0 458.603 3.533 20 0 JHADRO O=C1N[C@@H]2C[N@H+](C[C@@H](O)COC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC[C@H]2CO1 ZINC001307904888 1070233661 /nfs/dbraw/zinc/23/36/61/1070233661.db2.gz JONZLNUTZMNKOL-IOMROCGXSA-N 1 0 465.377 3.891 20 0 JHADRO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001307905421 1070233772 /nfs/dbraw/zinc/23/37/72/1070233772.db2.gz ZIDSIZANESLSJN-MVYHEMRASA-N 1 0 470.614 3.767 20 0 JHADRO CCOCc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314388710 1070239679 /nfs/dbraw/zinc/23/96/79/1070239679.db2.gz BOEQHFRSTKDPJE-CLOONOSVSA-N 1 0 476.616 3.930 20 0 JHADRO CCOCc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001314388778 1070240130 /nfs/dbraw/zinc/24/01/30/1070240130.db2.gz LPFUESYFICVSAA-OALUTQOASA-N 1 0 460.589 3.542 20 0 JHADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CCCS(=O)(=O)C(C)C)cc1 ZINC001307918638 1070240925 /nfs/dbraw/zinc/24/09/25/1070240925.db2.gz HNZGQEQJVHWBRV-VXKWHMMOSA-N 1 0 468.660 3.981 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC001307919720 1070241580 /nfs/dbraw/zinc/24/15/80/1070241580.db2.gz TZUIQLOOZNCXIN-DHIUTWEWSA-N 1 0 474.623 3.852 20 0 JHADRO CCOCc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1C[C@H](C)[NH+](C)C ZINC001314389372 1070242012 /nfs/dbraw/zinc/24/20/12/1070242012.db2.gz XVZPFDGXHMYEQZ-HNNXBMFYSA-N 1 0 474.959 3.764 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3F)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314391315 1070245996 /nfs/dbraw/zinc/24/59/96/1070245996.db2.gz QJIBOILPQOSKJS-OAQYLSRUSA-N 1 0 458.607 3.645 20 0 JHADRO CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001313090804 1070247765 /nfs/dbraw/zinc/24/77/65/1070247765.db2.gz PRBFXGSJHZEHAK-JOCHJYFZSA-N 1 0 452.603 3.559 20 0 JHADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC001307923117 1070244813 /nfs/dbraw/zinc/24/48/13/1070244813.db2.gz DDNHQTHSCRCPLR-FQEVSTJZSA-N 1 0 458.603 3.943 20 0 JHADRO CCOCc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001314393765 1070251691 /nfs/dbraw/zinc/25/16/91/1070251691.db2.gz PEEAWZJPXDIKJR-QFIPXVFZSA-N 1 0 499.729 3.683 20 0 JHADRO COc1ccc(C(C)(C)[NH2+]CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1F ZINC001307941836 1070252200 /nfs/dbraw/zinc/25/22/00/1070252200.db2.gz IPAJEYOJFBWNSV-UHFFFAOYSA-N 1 0 455.361 3.710 20 0 JHADRO CCOCc1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001314397098 1070256273 /nfs/dbraw/zinc/25/62/73/1070256273.db2.gz ZFQNIWCXXVHALR-QFIPXVFZSA-N 1 0 494.606 3.801 20 0 JHADRO Cc1ccc(NC(=O)C[N@H+](Cc2cccc(Cl)c2)CC(C)C)cc1S(=O)(=O)N(C)C ZINC001307957361 1070257680 /nfs/dbraw/zinc/25/76/80/1070257680.db2.gz GRCMCMXWBJYNNY-UHFFFAOYSA-N 1 0 452.020 3.995 20 0 JHADRO CCOCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001314401226 1070262883 /nfs/dbraw/zinc/26/28/83/1070262883.db2.gz RFPLGSBPLRGKMS-SFHVURJKSA-N 1 0 464.010 3.598 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccccc3C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314402440 1070264367 /nfs/dbraw/zinc/26/43/67/1070264367.db2.gz FJJFIJPYERJKCK-XJUOHMSHSA-N 1 0 471.646 3.589 20 0 JHADRO CCOCc1nnc(N2CCO[C@](C)(CC)C2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001314403540 1070265725 /nfs/dbraw/zinc/26/57/25/1070265725.db2.gz VEAVVBLLYPUSEY-SQJMNOBHSA-N 1 0 457.619 3.666 20 0 JHADRO Cc1ccc([C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)S(C)(=O)=O)cc1 ZINC001313137182 1070266034 /nfs/dbraw/zinc/26/60/34/1070266034.db2.gz KZSIOOVBHOXZCC-UWXQAFAOSA-N 1 0 457.640 3.537 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](OCC2CC[NH+](C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)C1 ZINC001307979188 1070267615 /nfs/dbraw/zinc/26/76/15/1070267615.db2.gz CHEWUGGKFPHOIP-VXKWHMMOSA-N 1 0 459.587 3.750 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H](OCC2CC[NH+](C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)C1 ZINC001307979186 1070267854 /nfs/dbraw/zinc/26/78/54/1070267854.db2.gz CHEWUGGKFPHOIP-FCHUYYIVSA-N 1 0 459.587 3.750 20 0 JHADRO Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN[C@H](C[NH+](C)C)c3ccc(Cl)c(Cl)c3)n12 ZINC001307983688 1070269265 /nfs/dbraw/zinc/26/92/65/1070269265.db2.gz UDHDCJLWHQYHLM-GOSISDBHSA-N 1 0 459.381 3.589 20 0 JHADRO CCOC(=O)c1csc(CC2CC[NH+](CCOc3ccc(/C=C/C(=O)OC)cc3)CC2)n1 ZINC001308039305 1070288492 /nfs/dbraw/zinc/28/84/92/1070288492.db2.gz FULNSNCXMRXBMQ-RMKNXTFCSA-N 1 0 458.580 3.840 20 0 JHADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001308041089 1070288925 /nfs/dbraw/zinc/28/89/25/1070288925.db2.gz SKYROQCRTCDBBB-QHCPKHFHSA-N 1 0 455.599 3.663 20 0 JHADRO CCOC(=O)CS[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001313198556 1070289927 /nfs/dbraw/zinc/28/99/27/1070289927.db2.gz NYLZXJMBQRHIPJ-KRWDZBQOSA-N 1 0 453.571 3.511 20 0 JHADRO C[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001308049747 1070293404 /nfs/dbraw/zinc/29/34/04/1070293404.db2.gz BVDBTYKJHSNLJZ-PERKRYKHSA-N 1 0 458.521 3.709 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001314421834 1070295021 /nfs/dbraw/zinc/29/50/21/1070295021.db2.gz QPVYQIXNPVWFNT-GBXCKJPGSA-N 1 0 464.614 3.905 20 0 JHADRO COc1ccc([C@H]2CCN(C(=O)NCCC3(O)CC[NH+](Cc4ccccc4)CC3)C2)cc1F ZINC001313216307 1070295403 /nfs/dbraw/zinc/29/54/03/1070295403.db2.gz NMYHQEADDWANDH-QFIPXVFZSA-N 1 0 455.574 3.750 20 0 JHADRO CCOc1ccc(NC(=O)CC[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)cc1 ZINC001308063546 1070298389 /nfs/dbraw/zinc/29/83/89/1070298389.db2.gz JPGUPKSUCOZWIP-UHFFFAOYSA-N 1 0 453.518 3.953 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001314426003 1070303549 /nfs/dbraw/zinc/30/35/49/1070303549.db2.gz GDTNXQCVHWAUHM-QHCPKHFHSA-N 1 0 485.673 3.654 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@](CO)([NH2+]CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC001308078523 1070305128 /nfs/dbraw/zinc/30/51/28/1070305128.db2.gz QFQGVZAZRZGCCK-VWLOTQADSA-N 1 0 455.555 3.769 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314429220 1070310779 /nfs/dbraw/zinc/31/07/79/1070310779.db2.gz HNFDCLAXQXUZRU-FGZHOGPDSA-N 1 0 461.676 3.540 20 0 JHADRO CC(C)(C)OC(=O)N1CC[NH+](CCCCCNC(=O)NC2CC(Nc3ccccc3)C2)CC1 ZINC001313256515 1070308029 /nfs/dbraw/zinc/30/80/29/1070308029.db2.gz ZJDMEYXYRQVAOI-UHFFFAOYSA-N 1 0 459.635 3.652 20 0 JHADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccc(Oc3ccc(Br)cc3)cc1)C2 ZINC001308111471 1070316654 /nfs/dbraw/zinc/31/66/54/1070316654.db2.gz UNITZNUQHLJBMH-NYHFZMIOSA-N 1 0 458.356 3.767 20 0 JHADRO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308124004 1070321602 /nfs/dbraw/zinc/32/16/02/1070321602.db2.gz GRTKYSSMFLHZJC-QYZOEREBSA-N 1 0 458.603 3.623 20 0 JHADRO C[C@@H]([NH2+]C1(CNC(=O)NCCc2ccc3c(c2)OCCCO3)CCOCC1)c1ccccc1 ZINC001313306273 1070321753 /nfs/dbraw/zinc/32/17/53/1070321753.db2.gz HKJWDDWAAHVMNB-HXUWFJFHSA-N 1 0 453.583 3.590 20 0 JHADRO CCOC[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)C1 ZINC001314435754 1070322579 /nfs/dbraw/zinc/32/25/79/1070322579.db2.gz FLLJNNQMEIZFEP-VXKWHMMOSA-N 1 0 492.709 3.986 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314437259 1070325144 /nfs/dbraw/zinc/32/51/44/1070325144.db2.gz VRAFNPKMPRYIFX-ZWKOTPCHSA-N 1 0 479.467 3.641 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314441084 1070329953 /nfs/dbraw/zinc/32/99/53/1070329953.db2.gz VIIRDGBAHYILDQ-XJUOHMSHSA-N 1 0 454.663 3.883 20 0 JHADRO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CC(=O)Nc2cccc(I)c2)[C@@H]1C ZINC001308155571 1070330945 /nfs/dbraw/zinc/33/09/45/1070330945.db2.gz KWYNEXWGMWQWKD-UHQDVWGKSA-N 1 0 458.340 3.528 20 0 JHADRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CC(=O)Nc2cccc(I)c2)[C@@H]1C ZINC001308155567 1070331107 /nfs/dbraw/zinc/33/11/07/1070331107.db2.gz KWYNEXWGMWQWKD-KYZVSKTDSA-N 1 0 458.340 3.528 20 0 JHADRO COc1cc([C@@H](C)[NH2+]CC[S@](=O)c2cc(Cl)ccc2Cl)ccc1S(C)(=O)=O ZINC001308168762 1070334356 /nfs/dbraw/zinc/33/43/56/1070334356.db2.gz UTFSIFJPFRGJJH-RYZVSIALSA-N 1 0 450.409 3.864 20 0 JHADRO C[C@H]([NH2+][C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001308170746 1070334983 /nfs/dbraw/zinc/33/49/83/1070334983.db2.gz JLUHRZBISAPFJD-LZBRWLDZSA-N 1 0 457.575 3.609 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001308182189 1070338159 /nfs/dbraw/zinc/33/81/59/1070338159.db2.gz QURZRSJDCGDPDG-QFIPXVFZSA-N 1 0 454.619 3.604 20 0 JHADRO O=C(NC[C@H](O)COc1ccc(F)c(F)c1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001313367150 1070339330 /nfs/dbraw/zinc/33/93/30/1070339330.db2.gz UDXIRZJCOWOBSV-RZPFDVGOSA-N 1 0 481.543 3.672 20 0 JHADRO O=C(c1ccc(C[NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)cc1)N1CCNC(=O)C1 ZINC001308208408 1070341278 /nfs/dbraw/zinc/34/12/78/1070341278.db2.gz AUIXDWSABHJMMA-QPJJXVBHSA-N 1 0 455.558 3.641 20 0 JHADRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2ccccc2OCCN2CCOCC2)cc1 ZINC001308227721 1070343077 /nfs/dbraw/zinc/34/30/77/1070343077.db2.gz RRGZFWMNMWHXQT-UHFFFAOYSA-N 1 0 455.599 3.712 20 0 JHADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)cc1)c1ccccc1 ZINC001308265504 1070348770 /nfs/dbraw/zinc/34/87/70/1070348770.db2.gz FWCWTSGRDFSBNA-XMMPIXPASA-N 1 0 455.599 3.753 20 0 JHADRO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]CCCNC(=O)c1ccc(Br)cc1)C2 ZINC001308242242 1070344829 /nfs/dbraw/zinc/34/48/29/1070344829.db2.gz HZWNBKRXKCJTGT-UHFFFAOYSA-N 1 0 452.393 3.558 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)cc1)c1ccccc1 ZINC001308265503 1070348392 /nfs/dbraw/zinc/34/83/92/1070348392.db2.gz FWCWTSGRDFSBNA-DEOSSOPVSA-N 1 0 455.599 3.753 20 0 JHADRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(F)c(Br)c3)CC2)cc1OC ZINC001308264469 1070348690 /nfs/dbraw/zinc/34/86/90/1070348690.db2.gz NPASCVWAXBIVMR-UHFFFAOYSA-N 1 0 451.336 4.000 20 0 JHADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC001313411645 1070351237 /nfs/dbraw/zinc/35/12/37/1070351237.db2.gz AEBBTWUHFFDXGO-CVDCTZTESA-N 1 0 453.537 3.951 20 0 JHADRO CCN(c1ccccc1)c1ccc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 ZINC001308282233 1070351722 /nfs/dbraw/zinc/35/17/22/1070351722.db2.gz GLZYRNUNVVMVPG-UHFFFAOYSA-N 1 0 453.612 3.521 20 0 JHADRO COc1cc(C[NH2+]C[C@H](C)Oc2ccc(Br)cc2)cc(Cl)c1OCC(N)=O ZINC001308288146 1070352039 /nfs/dbraw/zinc/35/20/39/1070352039.db2.gz OGWOKOZYWNJMPH-LBPRGKRZSA-N 1 0 457.752 3.532 20 0 JHADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCNC(=O)OCc2ccccc2)C1 ZINC001313424549 1070355412 /nfs/dbraw/zinc/35/54/12/1070355412.db2.gz FMJDQCQGGSZQKX-SFTDATJTSA-N 1 0 452.599 3.890 20 0 JHADRO COc1cc(CCNC(=O)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc(OC)c1 ZINC001313425782 1070355817 /nfs/dbraw/zinc/35/58/17/1070355817.db2.gz QOTOHYYGNIEHOS-BGYRXZFFSA-N 1 0 455.599 3.697 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001313446756 1070364594 /nfs/dbraw/zinc/36/45/94/1070364594.db2.gz FIDVMNKLHGFAQL-RTWAWAEBSA-N 1 0 470.618 3.543 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC(=O)NC)CC1 ZINC001313446420 1070362581 /nfs/dbraw/zinc/36/25/81/1070362581.db2.gz CCARTCJHOYGOHH-FQEVSTJZSA-N 1 0 490.599 3.773 20 0 JHADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC001308349777 1070359983 /nfs/dbraw/zinc/35/99/83/1070359983.db2.gz HYZZTSXMBRBNSL-QAPCUYQASA-N 1 0 455.393 3.518 20 0 JHADRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(C(=O)NC4CC4)cc3)C2=O)ccc1Br ZINC001308363511 1070361865 /nfs/dbraw/zinc/36/18/65/1070361865.db2.gz LLZIHZNOFGSILH-OAQYLSRUSA-N 1 0 456.384 3.935 20 0 JHADRO CC(C)(C)OC(=O)N1CCN([C@H](C[NH2+]Cc2ccc(F)c3cccnc23)C(F)(F)F)CC1 ZINC001308382358 1070365431 /nfs/dbraw/zinc/36/54/31/1070365431.db2.gz HAMHCQVOPFTXKJ-GOSISDBHSA-N 1 0 456.484 3.947 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001313447253 1070366080 /nfs/dbraw/zinc/36/60/80/1070366080.db2.gz IZPXDONLCQITDU-HBMCJLEFSA-N 1 0 486.636 3.927 20 0 JHADRO CCOc1cccc(C[NH2+]C[C@@H]2CCCN2Cc2ccc(I)cc2)n1 ZINC001308386423 1070366375 /nfs/dbraw/zinc/36/63/75/1070366375.db2.gz WEIMRCFVDKFSFP-IBGZPJMESA-N 1 0 451.352 3.839 20 0 JHADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC001308398832 1070368904 /nfs/dbraw/zinc/36/89/04/1070368904.db2.gz MNQYEZPXRYXFOB-UHFFFAOYSA-N 1 0 451.017 3.916 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313448247 1070370213 /nfs/dbraw/zinc/37/02/13/1070370213.db2.gz PUBQJWAJIGEXFT-IBGZPJMESA-N 1 0 458.607 3.778 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)C1 ZINC001308405118 1070370903 /nfs/dbraw/zinc/37/09/03/1070370903.db2.gz MPHGEEPJOYXVOP-OSWQYVSFSA-N 1 0 456.587 3.837 20 0 JHADRO COc1cc(C[NH2+]Cc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)c(SC)cc1OC ZINC001308404844 1070371219 /nfs/dbraw/zinc/37/12/19/1070371219.db2.gz HBTGTCBDHVJJQY-XMMPIXPASA-N 1 0 455.580 3.940 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313449624 1070375033 /nfs/dbraw/zinc/37/50/33/1070375033.db2.gz XJMLPIJPAZLQTL-DFBJGRDBSA-N 1 0 457.619 3.842 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313449229 1070373920 /nfs/dbraw/zinc/37/39/20/1070373920.db2.gz WDAMSPVBQDXVLA-SFHVURJKSA-N 1 0 467.536 3.722 20 0 JHADRO COc1cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)ccc1OCc1ccc(Br)cc1 ZINC001308434962 1070375157 /nfs/dbraw/zinc/37/51/57/1070375157.db2.gz AYNHQYBUVDQVQU-AZUAARDMSA-N 1 0 450.373 3.914 20 0 JHADRO COc1cc(C[NH2+][C@](C)(CO)Cc2ccccc2F)cc(I)c1OC ZINC001308479217 1070380618 /nfs/dbraw/zinc/38/06/18/1070380618.db2.gz GVZWVSNFMALXCD-IBGZPJMESA-N 1 0 459.299 3.531 20 0 JHADRO COc1cc(C[NH2+][C@H](C)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001308435314 1070375553 /nfs/dbraw/zinc/37/55/53/1070375553.db2.gz CMQMJFPHAUAZGU-CQSZACIVSA-N 1 0 451.926 3.508 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313450172 1070376999 /nfs/dbraw/zinc/37/69/99/1070376999.db2.gz LPXALEWUNYHDHQ-FQEVSTJZSA-N 1 0 469.634 3.580 20 0 JHADRO CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H](CC)CN1CCOCC1 ZINC001308526819 1070385783 /nfs/dbraw/zinc/38/57/83/1070385783.db2.gz PYIMQMNCYCEGNV-HNNXBMFYSA-N 1 0 450.215 3.811 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCOC1 ZINC001313452084 1070381665 /nfs/dbraw/zinc/38/16/65/1070381665.db2.gz DSRUQGZWVKBXIS-HKBOAZHASA-N 1 0 476.666 3.697 20 0 JHADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC001308494623 1070381845 /nfs/dbraw/zinc/38/18/45/1070381845.db2.gz LKALHEYSCWPJAD-IBGZPJMESA-N 1 0 459.761 3.511 20 0 JHADRO CCCn1nc(-c2nnc(N(C)CC(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c2ccccc2c1=O ZINC001313452484 1070382762 /nfs/dbraw/zinc/38/27/62/1070382762.db2.gz ITFWOWJDWXVYDT-OAQYLSRUSA-N 1 0 495.672 3.514 20 0 JHADRO C[NH+](C)Cc1ccc(CNC2(c3ncc(Br)cn3)CCC2)c2c1OC(F)(F)O2 ZINC001308531151 1070386475 /nfs/dbraw/zinc/38/64/75/1070386475.db2.gz ZGJXZXBWOBLBLD-UHFFFAOYSA-N 1 0 455.303 3.791 20 0 JHADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1)CC2 ZINC001308549707 1070388362 /nfs/dbraw/zinc/38/83/62/1070388362.db2.gz OWFSCUGXPSHDMQ-AWEZNQCLSA-N 1 0 451.166 3.903 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001313454802 1070390130 /nfs/dbraw/zinc/39/01/30/1070390130.db2.gz AEPHPGXBGHMYQX-OALUTQOASA-N 1 0 465.646 3.888 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)cnn1C ZINC001308567247 1070391684 /nfs/dbraw/zinc/39/16/84/1070391684.db2.gz SADHOSUBVCRKCC-VWNXMTODSA-N 1 0 455.647 3.618 20 0 JHADRO Cc1ccc(C(=O)NC2CCN(Cc3ccc(C[NH+](C)C)c4c3OC(F)(F)O4)CC2)s1 ZINC001308583184 1070394496 /nfs/dbraw/zinc/39/44/96/1070394496.db2.gz YADLDFJBHWAWRM-UHFFFAOYSA-N 1 0 451.539 3.834 20 0 JHADRO COC(=O)c1[nH]c2ccccc2c1C[N@H+](C[C@@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC001308586918 1070395275 /nfs/dbraw/zinc/39/52/75/1070395275.db2.gz PAWHQMHPDNRCRY-LJQANCHMSA-N 1 0 453.539 3.563 20 0 JHADRO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001308590959 1070396654 /nfs/dbraw/zinc/39/66/54/1070396654.db2.gz FOCZSYVFMALTMX-MRXNPFEDSA-N 1 0 451.514 3.543 20 0 JHADRO CCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001314486527 1070398550 /nfs/dbraw/zinc/39/85/50/1070398550.db2.gz NSDZJGYSHIBFPP-YADHBBJMSA-N 1 0 490.693 3.741 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001313457913 1070400878 /nfs/dbraw/zinc/40/08/78/1070400878.db2.gz QCDJBSLAGKZZTE-QHCPKHFHSA-N 1 0 466.674 3.962 20 0 JHADRO CCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001314489427 1070400121 /nfs/dbraw/zinc/40/01/21/1070400121.db2.gz QWOSMIXOFOMZTA-LJQANCHMSA-N 1 0 454.644 3.771 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)[NH+](C)C)C1 ZINC001313458072 1070401699 /nfs/dbraw/zinc/40/16/99/1070401699.db2.gz IBPPERUNOOQIKV-IPMKNSEASA-N 1 0 477.053 3.764 20 0 JHADRO COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC001308623330 1070404181 /nfs/dbraw/zinc/40/41/81/1070404181.db2.gz FWJADFQJZAOYLJ-UHFFFAOYSA-N 1 0 457.518 3.546 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@](C)(O)c2ccsc2)C[C@H]1CC ZINC001314495599 1070414449 /nfs/dbraw/zinc/41/44/49/1070414449.db2.gz IYBKJNOXBLPELW-RDGATRHJSA-N 1 0 469.655 3.851 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H]1CC ZINC001314495633 1070414577 /nfs/dbraw/zinc/41/45/77/1070414577.db2.gz JKTARNMTVWDODW-IPMKNSEASA-N 1 0 481.567 3.966 20 0 JHADRO COc1ccc(S(=O)(=O)N2CC([NH2+][C@H]3CCCC[C@@H]3c3cc(F)c(F)c(F)c3)C2)cc1 ZINC001308671152 1070414933 /nfs/dbraw/zinc/41/49/33/1070414933.db2.gz VUESACBXDGZAJV-NQIIRXRSSA-N 1 0 454.514 3.801 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2[C@@H]2C[C@H]2CF)C[C@@H]1CC ZINC001314495763 1070415436 /nfs/dbraw/zinc/41/54/36/1070415436.db2.gz CLARFCFIFNSEQR-RYQLBKOJSA-N 1 0 483.430 3.514 20 0 JHADRO O=C1CNC(=O)N1Cc1ccc(NC2CC[NH+](Cc3ccccc3Br)CC2)cc1 ZINC001308678301 1070415820 /nfs/dbraw/zinc/41/58/20/1070415820.db2.gz BZZRSJXJBCJFGI-UHFFFAOYSA-N 1 0 457.372 3.577 20 0 JHADRO CCCn1nc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313462549 1070421547 /nfs/dbraw/zinc/42/15/47/1070421547.db2.gz XVKCPPMPJUBRQQ-PMACEKPBSA-N 1 0 497.713 3.983 20 0 JHADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C(C)(C)c2nc3ccccc3n2C)cnn1C ZINC001308704319 1070421805 /nfs/dbraw/zinc/42/18/05/1070421805.db2.gz CBNKBVDPFGENNB-SFHVURJKSA-N 1 0 454.619 3.824 20 0 JHADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]Cc1nc2cc(OC)ccc2n1C ZINC001308702273 1070421960 /nfs/dbraw/zinc/42/19/60/1070421960.db2.gz AVSGXYPJSHRJDL-ZDUSSCGKSA-N 1 0 458.584 3.944 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001313462725 1070422316 /nfs/dbraw/zinc/42/23/16/1070422316.db2.gz XQIJTJUOUVSGBO-HSZRJFAPSA-N 1 0 482.673 3.818 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C1 ZINC001313462622 1070422392 /nfs/dbraw/zinc/42/23/92/1070422392.db2.gz ZVUQSDLOEMMIKI-LEWJYISDSA-N 1 0 486.636 3.786 20 0 JHADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)s1 ZINC001308749520 1070430271 /nfs/dbraw/zinc/43/02/71/1070430271.db2.gz CHNBEVPANSBGGH-RRFJBIMHSA-N 1 0 452.024 3.744 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CCCC3)n2CC2(SC)CCOCC2)C[C@@H]1CC ZINC001314500741 1070432238 /nfs/dbraw/zinc/43/22/38/1070432238.db2.gz XHUMKGGOYCXURL-NRFANRHFSA-N 1 0 465.708 3.785 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1CC ZINC001314500739 1070432280 /nfs/dbraw/zinc/43/22/80/1070432280.db2.gz XGWWFADFYJXBRO-QFIPXVFZSA-N 1 0 488.677 3.660 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cscc2C(F)(F)F)C[C@@H]1CC ZINC001314501056 1070432436 /nfs/dbraw/zinc/43/24/36/1070432436.db2.gz NFRBAWGLMVILBN-WMZOPIPTSA-N 1 0 487.592 3.848 20 0 JHADRO Cn1nc(C(F)(F)F)c(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c1Cl ZINC001308769195 1070434230 /nfs/dbraw/zinc/43/42/30/1070434230.db2.gz CJZZLBGFVGXSRJ-SECBINFHSA-N 1 0 458.681 3.935 20 0 JHADRO COc1ccc(N(C(C)=O)c2nc(CN3CCC(CC[NH+]4CCOCC4)CC3)cs2)cc1 ZINC001308768590 1070434249 /nfs/dbraw/zinc/43/42/49/1070434249.db2.gz YPJFXRYAOHFAMU-UHFFFAOYSA-N 1 0 458.628 3.771 20 0 JHADRO Cc1[nH+]c2cc(NCc3c[nH]nc3-c3ccc(Br)cc3)ccc2n1C(CO)CO ZINC001308768449 1070434289 /nfs/dbraw/zinc/43/42/89/1070434289.db2.gz XTTHGHFZLQCHCE-UHFFFAOYSA-N 1 0 456.344 3.635 20 0 JHADRO CCOCCOCc1cccc(Cn2c(N3CC[NH+](C4CCC4)CC3)nnc2C(C)(C)C)c1 ZINC001314501741 1070434669 /nfs/dbraw/zinc/43/46/69/1070434669.db2.gz MBGNRQAWTKKTFA-UHFFFAOYSA-N 1 0 455.647 3.852 20 0 JHADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001308783135 1070438072 /nfs/dbraw/zinc/43/80/72/1070438072.db2.gz SEBPIYVQNJJFCZ-CSODHUTKSA-N 1 0 457.546 3.902 20 0 JHADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2nc3ccc(Cl)cc3n2C)cc1Br ZINC001308769858 1070435115 /nfs/dbraw/zinc/43/51/15/1070435115.db2.gz KAZXESWICRLJEV-CQSZACIVSA-N 1 0 452.780 3.939 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001313466313 1070437866 /nfs/dbraw/zinc/43/78/66/1070437866.db2.gz QHZSLYBGMHLLCW-FYYLOGMGSA-N 1 0 484.664 3.871 20 0 JHADRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC001308811332 1070441025 /nfs/dbraw/zinc/44/10/25/1070441025.db2.gz MIZPIVGUTMFUDD-HKJQZYRSSA-N 1 0 459.587 3.816 20 0 JHADRO OC[C@H](C[NH2+]Cc1cc(Br)cnc1F)Cc1cc(F)cc(Br)c1 ZINC001308809433 1070441259 /nfs/dbraw/zinc/44/12/59/1070441259.db2.gz CFIDNKPVHQVWOB-NSHDSACASA-N 1 0 450.121 3.826 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001313467241 1070441270 /nfs/dbraw/zinc/44/12/70/1070441270.db2.gz OWKITOWYLSMFAV-OAQYLSRUSA-N 1 0 482.673 3.961 20 0 JHADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)nn1 ZINC001308814679 1070441925 /nfs/dbraw/zinc/44/19/25/1070441925.db2.gz ADJGBCRSNJVSCG-ZWKOTPCHSA-N 1 0 451.493 3.944 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@](C)(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC001308818202 1070442595 /nfs/dbraw/zinc/44/25/95/1070442595.db2.gz AGWRDMSJIBNYCX-FQEVSTJZSA-N 1 0 455.397 3.740 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCC(C)CC2)C1 ZINC001313467558 1070443949 /nfs/dbraw/zinc/44/39/49/1070443949.db2.gz ZIEFJBRFNCMSPK-XMMPIXPASA-N 1 0 466.674 3.652 20 0 JHADRO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001308839339 1070445318 /nfs/dbraw/zinc/44/53/18/1070445318.db2.gz CNJYXOQVMAMAMW-LWYYNNOASA-N 1 0 481.678 3.732 20 0 JHADRO COCO[C@H](C)c1cc(F)c(CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Br ZINC001308841832 1070445844 /nfs/dbraw/zinc/44/58/44/1070445844.db2.gz VGVNSSLUMJUVLQ-AEFFLSMTSA-N 1 0 459.400 3.956 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001313468273 1070446666 /nfs/dbraw/zinc/44/66/66/1070446666.db2.gz KVMJRRMDRHLAKI-GOTSBHOMSA-N 1 0 495.716 3.745 20 0 JHADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001308842716 1070446692 /nfs/dbraw/zinc/44/66/92/1070446692.db2.gz DGYNTINFDPOHLY-MTNREXPMSA-N 1 0 458.599 3.727 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001313468275 1070446702 /nfs/dbraw/zinc/44/67/02/1070446702.db2.gz KVMJRRMDRHLAKI-XZOQPEGZSA-N 1 0 495.716 3.745 20 0 JHADRO CNC(=O)[C@H](C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001308848770 1070447398 /nfs/dbraw/zinc/44/73/98/1070447398.db2.gz RBEQCMHXXDCZPD-ZWKOTPCHSA-N 1 0 459.553 3.997 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC001313468779 1070449577 /nfs/dbraw/zinc/44/95/77/1070449577.db2.gz QWAKSLCMKAOPJC-FQEVSTJZSA-N 1 0 452.647 3.593 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314508873 1070460871 /nfs/dbraw/zinc/46/08/71/1070460871.db2.gz JSVJKQFPSHKYPC-PZJWPPBQSA-N 1 0 473.687 3.777 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2CC[NH+](C(C)C)C(C)C)C12CCCC2 ZINC001314508112 1070457391 /nfs/dbraw/zinc/45/73/91/1070457391.db2.gz WUQZMZGWBPYKCU-QHAWAJNXSA-N 1 0 460.667 3.522 20 0 JHADRO CC(C)(C)OC(=O)CN1CCC([NH2+][C@@H]2CC[C@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001308904759 1070457575 /nfs/dbraw/zinc/45/75/75/1070457575.db2.gz SJRBMQVCVAAHBN-NRSPTQNISA-N 1 0 451.652 3.950 20 0 JHADRO CCOC(=O)c1sc([C@H]2CC[N@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)nc1C ZINC001308920656 1070459694 /nfs/dbraw/zinc/45/96/94/1070459694.db2.gz YMFXLELHUBBXQT-JKSUJKDBSA-N 1 0 453.605 3.790 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001314510317 1070465833 /nfs/dbraw/zinc/46/58/33/1070465833.db2.gz UMYXLXMNCGSFCJ-BGYRXZFFSA-N 1 0 467.724 3.638 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001313471319 1070461716 /nfs/dbraw/zinc/46/17/16/1070461716.db2.gz GXGLVTCMMJPRHK-UHFFFAOYSA-N 1 0 488.080 3.858 20 0 JHADRO COc1cccc2c1CCC[C@H]([NH2+]C[C@@H]1CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O1)C2 ZINC001308946810 1070464536 /nfs/dbraw/zinc/46/45/36/1070464536.db2.gz XIAMNGOCZSXVBU-PMACEKPBSA-N 1 0 458.599 3.865 20 0 JHADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(CCC[NH+](C)C)Cc2ccccc2)c(F)c1Cl ZINC001308992885 1070472485 /nfs/dbraw/zinc/47/24/85/1070472485.db2.gz JUHCZCDXIKGCSC-UHFFFAOYSA-N 1 0 459.946 3.719 20 0 JHADRO CCCNC(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313473162 1070469235 /nfs/dbraw/zinc/46/92/35/1070469235.db2.gz APQMPSCNBXRCBC-URVUXULASA-N 1 0 470.662 3.870 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001313473630 1070470752 /nfs/dbraw/zinc/47/07/52/1070470752.db2.gz USGKWBAYICDKED-HSZRJFAPSA-N 1 0 474.694 3.774 20 0 JHADRO CCOC(=O)c1ccc(-c2ccc(C[NH+]3CCC(CO)(NC(=O)OC(C)(C)C)CC3)o2)cc1 ZINC001308985929 1070470866 /nfs/dbraw/zinc/47/08/66/1070470866.db2.gz BLEVELMNUXEOMT-UHFFFAOYSA-N 1 0 458.555 3.975 20 0 JHADRO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CC[N@@H+]2CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001308990495 1070471473 /nfs/dbraw/zinc/47/14/73/1070471473.db2.gz SCDOTIKFYRVQRN-MHECFPHRSA-N 1 0 453.624 3.830 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC001313474778 1070473356 /nfs/dbraw/zinc/47/33/56/1070473356.db2.gz LSQMJEVKXFMWPE-UHFFFAOYSA-N 1 0 490.762 3.971 20 0 JHADRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC001309019727 1070488391 /nfs/dbraw/zinc/48/83/91/1070488391.db2.gz DEUOOLJKZUZXNV-UHFFFAOYSA-N 1 0 453.402 3.704 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001314515986 1070488927 /nfs/dbraw/zinc/48/89/27/1070488927.db2.gz IBKNFHHIUUEQMW-ZWKOTPCHSA-N 1 0 468.067 3.590 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314516587 1070491977 /nfs/dbraw/zinc/49/19/77/1070491977.db2.gz KKXRLQSHIQUXSR-REWPJTCUSA-N 1 0 484.670 3.678 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314519057 1070500330 /nfs/dbraw/zinc/50/03/30/1070500330.db2.gz NNMPCXCRYYPYLX-UXHICEINSA-N 1 0 486.686 3.806 20 0 JHADRO O=S(=O)(NCCCn1cccn1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309046145 1070504973 /nfs/dbraw/zinc/50/49/73/1070504973.db2.gz UDFGEBYCFBKRIN-XZOQPEGZSA-N 1 0 459.015 3.514 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001314520767 1070505631 /nfs/dbraw/zinc/50/56/31/1070505631.db2.gz IXQVHLSHRKQWTD-IBGZPJMESA-N 1 0 493.743 3.878 20 0 JHADRO CCCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313488563 1070507454 /nfs/dbraw/zinc/50/74/54/1070507454.db2.gz SPNQWFRTIXJFJW-OAQYLSRUSA-N 1 0 470.662 3.872 20 0 JHADRO Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)CCc2ccccc2Br)CC1 ZINC001309048686 1070506756 /nfs/dbraw/zinc/50/67/56/1070506756.db2.gz SJCLPIJUNSDPIT-UHFFFAOYSA-N 1 0 451.430 3.838 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001314522052 1070509466 /nfs/dbraw/zinc/50/94/66/1070509466.db2.gz DBWCPGYDSYPEBP-SFHVURJKSA-N 1 0 468.067 3.590 20 0 JHADRO COC(=O)C(C)(C)c1ccc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001309056134 1070511982 /nfs/dbraw/zinc/51/19/82/1070511982.db2.gz LUQPZTKSLMGDLJ-IBGZPJMESA-N 1 0 458.624 3.848 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)C1 ZINC001309060652 1070514408 /nfs/dbraw/zinc/51/44/08/1070514408.db2.gz CLBUFUVBQTXZEF-HZPDHXFCSA-N 1 0 452.523 3.965 20 0 JHADRO 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CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C2(C(=O)OC)CC2)cc1 ZINC001309089013 1070532085 /nfs/dbraw/zinc/53/20/85/1070532085.db2.gz YVNRDSSFAJVTDB-SIKLNZKXSA-N 1 0 456.608 3.737 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001313503374 1070533194 /nfs/dbraw/zinc/53/31/94/1070533194.db2.gz PHWSLQKZAUUNOG-FNZWTVRRSA-N 1 0 471.646 3.682 20 0 JHADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001309099768 1070539356 /nfs/dbraw/zinc/53/93/56/1070539356.db2.gz JKSUQAHCFSTKAE-OKILXGFUSA-N 1 0 450.523 3.527 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(=O)NC(C)C)cc1OC ZINC001313505535 1070543795 /nfs/dbraw/zinc/54/37/95/1070543795.db2.gz KLGQKHPLEBJIGZ-UHFFFAOYSA-N 1 0 486.661 3.578 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@](C)(O)C2CC2)cc1OC ZINC001313506140 1070546519 /nfs/dbraw/zinc/54/65/19/1070546519.db2.gz NVFIXQYUIXIHLS-AREMUKBSSA-N 1 0 471.646 3.824 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC001313507068 1070551034 /nfs/dbraw/zinc/55/10/34/1070551034.db2.gz RVSFEJXCMRDJFX-HXUWFJFHSA-N 1 0 457.619 3.844 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCS(=O)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1OC ZINC001313512993 1070565604 /nfs/dbraw/zinc/56/56/04/1070565604.db2.gz ARIKJFUAYDZHCQ-UHFFFAOYSA-N 1 0 489.686 3.576 20 0 JHADRO CCC(=O)N1CCc2ccc(S(=O)(=O)N3CCC(C[N@H+](C)Cc4ccccc4)CC3)cc21 ZINC001309145963 1070567321 /nfs/dbraw/zinc/56/73/21/1070567321.db2.gz KIGJKMISTMFKKT-UHFFFAOYSA-N 1 0 455.624 3.518 20 0 JHADRO Cc1nc(S(=O)(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)sc1Br ZINC001309147565 1070567800 /nfs/dbraw/zinc/56/78/00/1070567800.db2.gz VJNUNCOUASCKSI-UHFFFAOYSA-N 1 0 458.447 3.747 20 0 JHADRO CC[S@@](=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001314565021 1070569169 /nfs/dbraw/zinc/56/91/69/1070569169.db2.gz NHXDVAPISUXTDJ-ISWXDLRVSA-N 1 0 497.507 3.505 20 0 JHADRO COc1cc(F)c(S(=O)(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c(F)c1 ZINC001309156587 1070574309 /nfs/dbraw/zinc/57/43/09/1070574309.db2.gz KVHBPULWCZDYRM-UHFFFAOYSA-N 1 0 452.567 3.987 20 0 JHADRO CCOc1ccc(S(=O)(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1C(C)C ZINC001309162655 1070578891 /nfs/dbraw/zinc/57/88/91/1070578891.db2.gz DLMLAFOWOLFLNC-UHFFFAOYSA-N 1 0 459.656 3.647 20 0 JHADRO CC[S@@](=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001314572928 1070579823 /nfs/dbraw/zinc/57/98/23/1070579823.db2.gz SAVHGXOPZGNXSZ-GDLZYMKVSA-N 1 0 486.455 3.582 20 0 JHADRO CCCOc1ncccc1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCN1CCOCC1 ZINC001313518037 1070581585 /nfs/dbraw/zinc/58/15/85/1070581585.db2.gz KFRLGBSDXWAMAD-UHFFFAOYSA-N 1 0 471.005 3.599 20 0 JHADRO CCCOc1ncccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001313519803 1070584659 /nfs/dbraw/zinc/58/46/59/1070584659.db2.gz INICKCXTFLCBRE-UHFFFAOYSA-N 1 0 470.662 3.647 20 0 JHADRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2ccc(Br)cc2)CCOCC1)c1ccccc1 ZINC001309183003 1070590209 /nfs/dbraw/zinc/59/02/09/1070590209.db2.gz IBHQADYZPIMDCA-MRXNPFEDSA-N 1 0 453.402 3.627 20 0 JHADRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2ccc(Br)cc2)CCOCC1)c1ccccc1 ZINC001309183001 1070590245 /nfs/dbraw/zinc/59/02/45/1070590245.db2.gz IBHQADYZPIMDCA-INIZCTEOSA-N 1 0 453.402 3.627 20 0 JHADRO CC[S@@](=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001314579629 1070590361 /nfs/dbraw/zinc/59/03/61/1070590361.db2.gz PEKSYBZMAXYNGP-SSEXGKCCSA-N 1 0 470.108 3.959 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(-c3cccnc3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001314581842 1070594224 /nfs/dbraw/zinc/59/42/24/1070594224.db2.gz ISAROSLLIGSKPB-DLBZAZTESA-N 1 0 456.620 3.658 20 0 JHADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2Br)[C@H](C)C1 ZINC001309183991 1070591207 /nfs/dbraw/zinc/59/12/07/1070591207.db2.gz MHSAKENPTOQVFS-CZUORRHYSA-N 1 0 453.830 3.518 20 0 JHADRO CCSc1cc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCC[N@@H+](C(C)C)CC2)ccn1 ZINC001314584114 1070600324 /nfs/dbraw/zinc/60/03/24/1070600324.db2.gz SVOQXPWDNWKQAD-UHFFFAOYSA-N 1 0 473.691 3.672 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001313529355 1070609575 /nfs/dbraw/zinc/60/95/75/1070609575.db2.gz RPRAUVFTGKXSAS-DNVJHFABSA-N 1 0 468.646 3.626 20 0 JHADRO COc1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001309213528 1070612408 /nfs/dbraw/zinc/61/24/08/1070612408.db2.gz HKNXMUWCOVZYST-UHFFFAOYSA-N 1 0 459.395 3.824 20 0 JHADRO COc1ccc(Br)c(S(=O)(=O)N(CC[NH+](C)C)CC2CCCCC2)c1F ZINC001309217500 1070615980 /nfs/dbraw/zinc/61/59/80/1070615980.db2.gz JFFWOQHGDJJTJM-UHFFFAOYSA-N 1 0 451.402 3.729 20 0 JHADRO O=S(=O)(CC[C@H]1CC1(Cl)Cl)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001309214553 1070613813 /nfs/dbraw/zinc/61/38/13/1070613813.db2.gz UWCNXDQVNSVNEG-AWEZNQCLSA-N 1 0 455.835 3.687 20 0 JHADRO CCSc1cccc(Cn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC001314589118 1070615535 /nfs/dbraw/zinc/61/55/35/1070615535.db2.gz HSJCSMMLGDAZGP-QHCPKHFHSA-N 1 0 486.730 3.793 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001314592613 1070625994 /nfs/dbraw/zinc/62/59/94/1070625994.db2.gz RKJBHOROGKFAAO-UXHICEINSA-N 1 0 464.724 3.630 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001314594069 1070630425 /nfs/dbraw/zinc/63/04/25/1070630425.db2.gz JIUOENQBFYVZEX-CSEOROSGSA-N 1 0 497.775 3.659 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001314594510 1070631009 /nfs/dbraw/zinc/63/10/09/1070631009.db2.gz JKKSODSSHZTWCT-BDTNDASRSA-N 1 0 488.677 3.953 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(Cc3csc(C)n3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001314595177 1070634269 /nfs/dbraw/zinc/63/42/69/1070634269.db2.gz LUMFULMCSAGPMM-LEWJYISDSA-N 1 0 491.775 3.770 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(C3CCCC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001314595557 1070635906 /nfs/dbraw/zinc/63/59/06/1070635906.db2.gz NUJRNGPLKYNPPK-BHDDXSALSA-N 1 0 476.735 3.989 20 0 JHADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001313543627 1070641902 /nfs/dbraw/zinc/64/19/02/1070641902.db2.gz ISLWYTJQVDUOBR-LEWJYISDSA-N 1 0 476.666 3.696 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(C2CCCC2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001313545200 1070648593 /nfs/dbraw/zinc/64/85/93/1070648593.db2.gz DZPLMTLQBALHRY-WOJBJXKFSA-N 1 0 478.682 3.738 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001314599950 1070648640 /nfs/dbraw/zinc/64/86/40/1070648640.db2.gz ONWDMQPYFPYUFO-PZJWPPBQSA-N 1 0 475.707 3.678 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001314601070 1070650061 /nfs/dbraw/zinc/65/00/61/1070650061.db2.gz QBPSSPDEGGLKDH-FCHUYYIVSA-N 1 0 470.687 3.929 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(CCCc3ccccc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001314599633 1070647936 /nfs/dbraw/zinc/64/79/36/1070647936.db2.gz WEOKUXGXVXRJGA-RQTOMXEWSA-N 1 0 457.688 3.630 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001313546306 1070654926 /nfs/dbraw/zinc/65/49/26/1070654926.db2.gz PLCVYRHPCLEEBM-HXUWFJFHSA-N 1 0 483.661 3.584 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314603152 1070657247 /nfs/dbraw/zinc/65/72/47/1070657247.db2.gz ZKBAQHAGCWNFFC-RBUKOAKNSA-N 1 0 497.713 3.890 20 0 JHADRO C[C@H](CCNS(=O)(=O)c1cc(Br)cc2c1OCC2)[N@H+](C)Cc1ccccc1 ZINC001309268349 1070658056 /nfs/dbraw/zinc/65/80/56/1070658056.db2.gz BJVGZLNGVLIWKL-OAHLLOKOSA-N 1 0 453.402 3.573 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001314604986 1070661245 /nfs/dbraw/zinc/66/12/45/1070661245.db2.gz VPCKKXPBAWXTEP-NFBKMPQASA-N 1 0 460.717 3.813 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[NH+]2CCC(C)CC2)C1 ZINC001314607365 1070666964 /nfs/dbraw/zinc/66/69/64/1070666964.db2.gz CIOXMFMFWVRCFN-BDTNDASRSA-N 1 0 465.708 3.846 20 0 JHADRO CCN(C)C(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001313557460 1070673754 /nfs/dbraw/zinc/67/37/54/1070673754.db2.gz HHICPLYHXNQAMZ-RUZDIDTESA-N 1 0 480.701 3.880 20 0 JHADRO CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313562030 1070679144 /nfs/dbraw/zinc/67/91/44/1070679144.db2.gz UMGRADJYICATAN-UHFFFAOYSA-N 1 0 450.425 3.707 20 0 JHADRO CCSCC[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314615304 1070685797 /nfs/dbraw/zinc/68/57/97/1070685797.db2.gz QQRNTJJDPHMKHK-VNTMZGSJSA-N 1 0 453.697 3.985 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(CC(=O)NC)CC2)c1 ZINC001313571791 1070686054 /nfs/dbraw/zinc/68/60/54/1070686054.db2.gz HMBZBVXXBCRFCY-UHFFFAOYSA-N 1 0 475.641 3.501 20 0 JHADRO CCCOc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1C(C)(C)C ZINC001309308835 1070688143 /nfs/dbraw/zinc/68/81/43/1070688143.db2.gz HSEVDFMCUHJMFM-FGZHOGPDSA-N 1 0 452.661 3.819 20 0 JHADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC001309309420 1070688944 /nfs/dbraw/zinc/68/89/44/1070688944.db2.gz JRRSEFAMLUARFB-ZDUSSCGKSA-N 1 0 459.793 3.929 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)c1 ZINC001313575587 1070691272 /nfs/dbraw/zinc/69/12/72/1070691272.db2.gz RTAGAGLAOQUZFA-UHFFFAOYSA-N 1 0 466.674 3.958 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(N3CC[C@H](C)[C@@H](OC)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001313575839 1070691410 /nfs/dbraw/zinc/69/14/10/1070691410.db2.gz SXDQHVZYIIQIAG-RCSBWOJUSA-N 1 0 485.673 3.680 20 0 JHADRO CN(C(=O)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)C1CCCCC1 ZINC001314620182 1070697734 /nfs/dbraw/zinc/69/77/34/1070697734.db2.gz KSTUTQHJGNBQSC-UHFFFAOYSA-N 1 0 481.689 3.613 20 0 JHADRO CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C[NH+]2CCOCC2)CCCCC1)C(C)C ZINC001313579757 1070699143 /nfs/dbraw/zinc/69/91/43/1070699143.db2.gz CMEONOOULAHSEC-SANMLTNESA-N 1 0 477.694 3.836 20 0 JHADRO CCSCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001314620908 1070699685 /nfs/dbraw/zinc/69/96/85/1070699685.db2.gz KYRRLFRTHIUGQR-BDTNDASRSA-N 1 0 464.724 3.658 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001314624364 1070709071 /nfs/dbraw/zinc/70/90/71/1070709071.db2.gz FNFRJACTHABOHU-JOCHJYFZSA-N 1 0 496.656 3.607 20 0 JHADRO CCN(c1nnc(-c2ccc(Br)cc2)n1CCC[NH+]1CCC(O)CC1)C(C)C ZINC001313585233 1070710017 /nfs/dbraw/zinc/71/00/17/1070710017.db2.gz DBUCDHHNTTVINC-UHFFFAOYSA-N 1 0 450.425 3.789 20 0 JHADRO O=S(=O)(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cnc(-c2ccccc2)s1 ZINC001309355077 1070717927 /nfs/dbraw/zinc/71/79/27/1070717927.db2.gz UKSFDUDPLYYAIG-UHFFFAOYSA-N 1 0 457.621 3.806 20 0 JHADRO CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H](CC(C)C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313592299 1070719391 /nfs/dbraw/zinc/71/93/91/1070719391.db2.gz PYVGJOZWMYHBJI-ZWKOTPCHSA-N 1 0 468.067 3.588 20 0 JHADRO C[C@H]1C[N@H+](CCOc2ccc(CCNS(=O)(=O)c3cccc4scnc43)cc2)C[C@H]1C ZINC001309356445 1070719594 /nfs/dbraw/zinc/71/95/94/1070719594.db2.gz OMMKDDIGRBOGGN-HDICACEKSA-N 1 0 459.637 3.784 20 0 JHADRO CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC001313597148 1070722581 /nfs/dbraw/zinc/72/25/81/1070722581.db2.gz UYNNWLGECZRQFK-LJQANCHMSA-N 1 0 475.707 3.983 20 0 JHADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001309371823 1070730232 /nfs/dbraw/zinc/73/02/32/1070730232.db2.gz KGUKSWKAXVKMON-UHFFFAOYSA-N 1 0 459.381 3.786 20 0 JHADRO CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1)C1CC1 ZINC001313602082 1070725207 /nfs/dbraw/zinc/72/52/07/1070725207.db2.gz HXDPNMVUGKZADP-FQEVSTJZSA-N 1 0 490.693 3.617 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N2CCC[C@H](Oc3ccccc3)C2)nnc1C(C)(C)C ZINC001314629138 1070725892 /nfs/dbraw/zinc/72/58/92/1070725892.db2.gz NHRLCXJRIMOQAG-XZOQPEGZSA-N 1 0 482.673 3.566 20 0 JHADRO CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC001313603808 1070727116 /nfs/dbraw/zinc/72/71/16/1070727116.db2.gz UZZXFUWZAQFQND-VXKWHMMOSA-N 1 0 492.709 3.984 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nccs1 ZINC001314629481 1070727342 /nfs/dbraw/zinc/72/73/42/1070727342.db2.gz QARRDQBEACCLRV-LJQANCHMSA-N 1 0 488.061 3.634 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CCCC1 ZINC001314629416 1070727577 /nfs/dbraw/zinc/72/75/77/1070727577.db2.gz OXPLXCCAULVVCM-XPWALMASSA-N 1 0 488.721 3.766 20 0 JHADRO CN(C)C(=O)CCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314629875 1070729249 /nfs/dbraw/zinc/72/92/49/1070729249.db2.gz HPDIVPOXIAYBJU-UHFFFAOYSA-N 1 0 478.645 3.514 20 0 JHADRO CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCCC1)C1CC1 ZINC001313609895 1070734437 /nfs/dbraw/zinc/73/44/37/1070734437.db2.gz RMJGCIUPDMZCDF-PZJWPPBQSA-N 1 0 476.666 3.697 20 0 JHADRO CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccco1)[NH+](C)C)C1CC1 ZINC001313621462 1070748943 /nfs/dbraw/zinc/74/89/43/1070748943.db2.gz LQVYZQSQFNBIPQ-SCTDSRPQSA-N 1 0 458.607 3.933 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001309402382 1070748258 /nfs/dbraw/zinc/74/82/58/1070748258.db2.gz GYZOGARJAGKHFP-LEWJYISDSA-N 1 0 451.633 3.533 20 0 JHADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)C3CCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001314647531 1070750137 /nfs/dbraw/zinc/75/01/37/1070750137.db2.gz UEPWNVVUPXNIKN-NRFANRHFSA-N 1 0 488.683 3.549 20 0 JHADRO CCN(C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1)S(C)(=O)=O ZINC001313627631 1070757891 /nfs/dbraw/zinc/75/78/91/1070757891.db2.gz QYBXARWIDBCRTQ-JOCHJYFZSA-N 1 0 496.766 3.628 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)c1ccccc1 ZINC001314648542 1070752491 /nfs/dbraw/zinc/75/24/91/1070752491.db2.gz GXVJTVYQSXERAI-ICSRJNTNSA-N 1 0 475.519 3.586 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC001314648908 1070753746 /nfs/dbraw/zinc/75/37/46/1070753746.db2.gz QABONEICDDRICX-FXAWDEMLSA-N 1 0 488.080 3.712 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)C1CC1 ZINC001314649303 1070754671 /nfs/dbraw/zinc/75/46/71/1070754671.db2.gz ULLJXGLVSBOFBH-UGKGYDQZSA-N 1 0 451.537 3.815 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC001314649401 1070755556 /nfs/dbraw/zinc/75/55/56/1070755556.db2.gz AVCKMZQMZDCSJV-OALUTQOASA-N 1 0 488.633 3.562 20 0 JHADRO CSc1nnc(CNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)s1 ZINC001309417325 1070756607 /nfs/dbraw/zinc/75/66/07/1070756607.db2.gz PQATXAVVATUGAQ-VQTJNVASSA-N 1 0 474.677 3.656 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccco1 ZINC001314649602 1070756860 /nfs/dbraw/zinc/75/68/60/1070756860.db2.gz NCQIOKPCAOGVNL-UTKZUKDTSA-N 1 0 466.508 3.699 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001314649850 1070757337 /nfs/dbraw/zinc/75/73/37/1070757337.db2.gz DYWRTXFGOLQGGJ-ILWGZMRPSA-N 1 0 490.693 3.644 20 0 JHADRO CCN(CC(C)C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001313628168 1070758843 /nfs/dbraw/zinc/75/88/43/1070758843.db2.gz ZTLPXXNPIZICFH-IBGZPJMESA-N 1 0 459.038 3.828 20 0 JHADRO CCN(CC(C)C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001313630203 1070761190 /nfs/dbraw/zinc/76/11/90/1070761190.db2.gz HBOCEFWRPQAPCB-WOJBJXKFSA-N 1 0 490.649 3.965 20 0 JHADRO CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@H](C[N@H+](C)Cc3ccccc3)C(C)C)cc21 ZINC001309427754 1070763786 /nfs/dbraw/zinc/76/37/86/1070763786.db2.gz QORGHMYHSMTNHI-YADARESESA-N 1 0 457.640 3.982 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001314652864 1070764327 /nfs/dbraw/zinc/76/43/27/1070764327.db2.gz IXQKYGAYLRCSTG-BHIFYINESA-N 1 0 484.645 3.926 20 0 JHADRO C[NH+](C)[C@H](Cn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1C(C)(C)C)c1cccc(F)c1 ZINC001314653878 1070767033 /nfs/dbraw/zinc/76/70/33/1070767033.db2.gz HZNFXECPYNRINX-LJQANCHMSA-N 1 0 498.569 3.913 20 0 JHADRO CN(C)[C@@H](Cn1c(N2CCC[N@H+](Cc3cnn(C)c3)CC2)nnc1C(C)(C)C)c1ccccc1Cl ZINC001314654660 1070769601 /nfs/dbraw/zinc/76/96/01/1070769601.db2.gz VPYUEWGOLHGTFV-QHCPKHFHSA-N 1 0 499.107 3.978 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccco1 ZINC001314654743 1070770320 /nfs/dbraw/zinc/77/03/20/1070770320.db2.gz LNZMQWDLIXUONS-QUCCMNQESA-N 1 0 479.503 3.563 20 0 JHADRO C[NH+](C)[C@H](Cn1c(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001314654944 1070770861 /nfs/dbraw/zinc/77/08/61/1070770861.db2.gz YFKUMHVHQSHXRQ-JOCHJYFZSA-N 1 0 496.631 3.892 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001314654906 1070771026 /nfs/dbraw/zinc/77/10/26/1070771026.db2.gz XWADHUSGGUDFKK-QKNQBKEWSA-N 1 0 488.633 3.861 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1cccs1 ZINC001314657079 1070776110 /nfs/dbraw/zinc/77/61/10/1070776110.db2.gz VQJNUCLQIYBILG-KRWDZBQOSA-N 1 0 480.560 3.522 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)F)CC1)c1cccc(F)c1 ZINC001314657109 1070776148 /nfs/dbraw/zinc/77/61/48/1070776148.db2.gz WBDPVMRKPMEFOK-FQEVSTJZSA-N 1 0 478.588 3.760 20 0 JHADRO CCN(CC)C(=O)c1ccc(Cn2c(Cc3ccncc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC001313636472 1070772925 /nfs/dbraw/zinc/77/29/25/1070772925.db2.gz KSJWUCSTZXDZRB-YADHBBJMSA-N 1 0 489.668 3.713 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCCN(CC(F)(F)F)CC1)c1cccs1 ZINC001314655798 1070773343 /nfs/dbraw/zinc/77/33/43/1070773343.db2.gz NRFUVQBGSLMRQL-LJQANCHMSA-N 1 0 493.603 3.703 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccsc1 ZINC001314656090 1070774289 /nfs/dbraw/zinc/77/42/89/1070774289.db2.gz PACXRYCXGOXZMA-XXBNENTESA-N 1 0 473.046 3.588 20 0 JHADRO C[NH+](C)C1(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCCCC1 ZINC001314656453 1070774956 /nfs/dbraw/zinc/77/49/56/1070774956.db2.gz LMMSIHHJIPRDQK-LEWJYISDSA-N 1 0 490.693 3.930 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CC1 ZINC001314656509 1070775024 /nfs/dbraw/zinc/77/50/24/1070775024.db2.gz ZFYGLAADGCWXLI-JXFKEZNVSA-N 1 0 477.078 3.656 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)F)CC1)C1CCCCC1 ZINC001314657576 1070776718 /nfs/dbraw/zinc/77/67/18/1070776718.db2.gz YGECOLMDBQGSHZ-QFIPXVFZSA-N 1 0 478.607 3.906 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC001314657670 1070777239 /nfs/dbraw/zinc/77/72/39/1070777239.db2.gz ZRAKXQAQOWNXSD-OAQYLSRUSA-N 1 0 495.628 3.653 20 0 JHADRO Cn1cc(Nc2nnc(-c3cc(F)ccc3Br)n2C[C@@]2([NH+](C)C)CCSC2)cn1 ZINC001314660310 1070783751 /nfs/dbraw/zinc/78/37/51/1070783751.db2.gz NCYROVRIGIBYBI-IBGZPJMESA-N 1 0 480.411 3.761 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(Cn2cncn2)CC1 ZINC001314662463 1070789301 /nfs/dbraw/zinc/78/93/01/1070789301.db2.gz DWDPFRYEMCIKOB-UHFFFAOYSA-N 1 0 488.587 3.642 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001314662539 1070789943 /nfs/dbraw/zinc/78/99/43/1070789943.db2.gz HFXLUEKWIKJJLJ-PMACEKPBSA-N 1 0 492.462 3.680 20 0 JHADRO CN(CCN1CCOCC1)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)C[NH+](C)C ZINC001314662895 1070790503 /nfs/dbraw/zinc/79/05/03/1070790503.db2.gz LUGWZQKIEVEVHY-UHFFFAOYSA-N 1 0 469.461 3.608 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001314663747 1070792998 /nfs/dbraw/zinc/79/29/98/1070792998.db2.gz ZFSWNFLKMIDCPR-QAPCUYQASA-N 1 0 479.456 3.802 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001314664575 1070794737 /nfs/dbraw/zinc/79/47/37/1070794737.db2.gz AUFOVFGBRQVOSV-NRFANRHFSA-N 1 0 456.541 3.784 20 0 JHADRO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)C[NH+](C)C ZINC001314667031 1070801019 /nfs/dbraw/zinc/80/10/19/1070801019.db2.gz BMDVOJDQYFIHEU-UHFFFAOYSA-N 1 0 467.662 3.561 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCCC2(CCOCC2)C1 ZINC001314665454 1070797144 /nfs/dbraw/zinc/79/71/44/1070797144.db2.gz CRIOOARCTYBWMO-UHFFFAOYSA-N 1 0 459.610 3.981 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001314665336 1070797215 /nfs/dbraw/zinc/79/72/15/1070797215.db2.gz GWGPKBZBFZOXNC-IBGZPJMESA-N 1 0 493.578 3.652 20 0 JHADRO CN(c1nnc(-c2cccnc2)n1CC(C)(C)C[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314665822 1070798277 /nfs/dbraw/zinc/79/82/77/1070798277.db2.gz RHCZRDOIHSHGBA-UHFFFAOYSA-N 1 0 471.650 3.764 20 0 JHADRO O=C(OCc1ccc(Br)cc1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001309483329 1070798936 /nfs/dbraw/zinc/79/89/36/1070798936.db2.gz FRDAGJCJEZLRIG-QFIPXVFZSA-N 1 0 458.400 3.978 20 0 JHADRO CN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CCSC1 ZINC001314668276 1070803721 /nfs/dbraw/zinc/80/37/21/1070803721.db2.gz CNKRYUBNORYRCF-IBGZPJMESA-N 1 0 473.046 3.924 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001314668263 1070803951 /nfs/dbraw/zinc/80/39/51/1070803951.db2.gz BZSVRTSYJWCMRE-UHFFFAOYSA-N 1 0 480.579 3.609 20 0 JHADRO CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC001314668229 1070804036 /nfs/dbraw/zinc/80/40/36/1070804036.db2.gz BEIBWXYJHBSOBY-BGYRXZFFSA-N 1 0 484.645 3.636 20 0 JHADRO C[NH+](C)CCOc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)c1 ZINC001314668697 1070805317 /nfs/dbraw/zinc/80/53/17/1070805317.db2.gz LQJPEHNEHAANBB-UPVQGACJSA-N 1 0 485.673 3.945 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(C2CC2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 ZINC001314669011 1070806093 /nfs/dbraw/zinc/80/60/93/1070806093.db2.gz XIYHBVUARFLLRM-UHFFFAOYSA-N 1 0 468.415 3.644 20 0 JHADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001309491743 1070806278 /nfs/dbraw/zinc/80/62/78/1070806278.db2.gz MHFFYAQZORDAMR-LJQANCHMSA-N 1 0 450.567 3.729 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC2CCC2)CC1 ZINC001314670009 1070810459 /nfs/dbraw/zinc/81/04/59/1070810459.db2.gz MPKJUTVAFMTUDP-UHFFFAOYSA-N 1 0 478.483 3.546 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC(C)(C)C)CC1 ZINC001314670878 1070812307 /nfs/dbraw/zinc/81/23/07/1070812307.db2.gz SLMWWTJWGJRQGJ-UHFFFAOYSA-N 1 0 462.633 3.903 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CCOCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001314670948 1070812440 /nfs/dbraw/zinc/81/24/40/1070812440.db2.gz GMXPPCVDHIPDRN-YOFSQIOKSA-N 1 0 478.682 3.521 20 0 JHADRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001314671207 1070814477 /nfs/dbraw/zinc/81/44/77/1070814477.db2.gz OPVFISDVRFIJMS-UHFFFAOYSA-N 1 0 490.439 3.552 20 0 JHADRO CN(CC(F)(F)F)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001314671383 1070814567 /nfs/dbraw/zinc/81/45/67/1070814567.db2.gz WFIQIXJSUOHUEL-SFHVURJKSA-N 1 0 455.525 3.549 20 0 JHADRO CN(CC1CC(F)(F)C1)c1nnc(-c2cc(F)ccc2Br)n1CCOCC[NH+](C)C ZINC001314671667 1070815441 /nfs/dbraw/zinc/81/54/41/1070815441.db2.gz SHVIBVSUMYRRTQ-UHFFFAOYSA-N 1 0 490.368 3.906 20 0 JHADRO CN(c1nnc(C(C)(C)C)n1CCCOC1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314676981 1070823475 /nfs/dbraw/zinc/82/34/75/1070823475.db2.gz NXKDUDYKAVGXKR-QFIPXVFZSA-N 1 0 455.647 3.872 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001313652228 1070828819 /nfs/dbraw/zinc/82/88/19/1070828819.db2.gz QVCNBGGNIFYBQI-NQIIRXRSSA-N 1 0 491.080 3.843 20 0 JHADRO CN(c1nnc(-c2ccc(F)cc2Br)n1CC1([NH+](C)C)CCC1)[C@@H]1CCOC1 ZINC001314683132 1070837571 /nfs/dbraw/zinc/83/75/71/1070837571.db2.gz WBNPIGWYWHUNDZ-OAHLLOKOSA-N 1 0 452.372 3.556 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cnccn2)CC1 ZINC001313655924 1070847537 /nfs/dbraw/zinc/84/75/37/1070847537.db2.gz AXVXNVXSOOLXKC-GMAHTHKFSA-N 1 0 492.672 3.882 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccnn1C)C1CC1 ZINC001313655971 1070848196 /nfs/dbraw/zinc/84/81/96/1070848196.db2.gz BULAIGPKPAJSRF-MRXNPFEDSA-N 1 0 489.466 3.679 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001313656314 1070849315 /nfs/dbraw/zinc/84/93/15/1070849315.db2.gz HQHVOWNKFZVJLY-FUHWJXTLSA-N 1 0 479.467 3.897 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001313656329 1070849802 /nfs/dbraw/zinc/84/98/02/1070849802.db2.gz HWTFSQUFSNYPHM-KSCDAYEDSA-N 1 0 472.609 3.535 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001313656435 1070850273 /nfs/dbraw/zinc/85/02/73/1070850273.db2.gz JETBFRVBSCHQNY-LJQANCHMSA-N 1 0 497.619 3.553 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001313657574 1070855197 /nfs/dbraw/zinc/85/51/97/1070855197.db2.gz SGBFGBGNSMNDAS-SFHVURJKSA-N 1 0 469.037 3.754 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001313657105 1070854478 /nfs/dbraw/zinc/85/44/78/1070854478.db2.gz JFBPTZTZUZITTN-RXVVDRJESA-N 1 0 461.676 3.596 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001313657649 1070856136 /nfs/dbraw/zinc/85/61/36/1070856136.db2.gz NDKIDWABYIKLND-IRLDBZIGSA-N 1 0 490.718 3.798 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001313657890 1070857402 /nfs/dbraw/zinc/85/74/02/1070857402.db2.gz PGWBPZCFHIOVJN-DENIHFKCSA-N 1 0 452.647 3.784 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2nccnc2C)CC1 ZINC001313657861 1070857429 /nfs/dbraw/zinc/85/74/29/1070857429.db2.gz OULZRORZURJNPD-QGZVFWFLSA-N 1 0 487.027 3.893 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H]1CCOC1 ZINC001313657887 1070857494 /nfs/dbraw/zinc/85/74/94/1070857494.db2.gz PEZDIEXSFOCVJJ-FUHWJXTLSA-N 1 0 450.425 3.971 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313657918 1070857596 /nfs/dbraw/zinc/85/75/96/1070857596.db2.gz VPWCHNSGJYMOKY-AZUAARDMSA-N 1 0 472.634 3.787 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC001313659639 1070863758 /nfs/dbraw/zinc/86/37/58/1070863758.db2.gz ITNRMSQHAFGDNX-AEFFLSMTSA-N 1 0 473.025 3.874 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Cn2cncn2)CC1 ZINC001313658185 1070858992 /nfs/dbraw/zinc/85/89/92/1070858992.db2.gz QNUQJUDIYUXSMH-GOSISDBHSA-N 1 0 457.026 3.837 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001313658676 1070860245 /nfs/dbraw/zinc/86/02/45/1070860245.db2.gz SWUDMISQYUELGW-SJLPKXTDSA-N 1 0 460.989 3.901 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001313658671 1070860269 /nfs/dbraw/zinc/86/02/69/1070860269.db2.gz SVMJUERQTSTGFN-HOTGVXAUSA-N 1 0 493.479 3.932 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001313658673 1070860521 /nfs/dbraw/zinc/86/05/21/1070860521.db2.gz SVMJUERQTSTGFN-JKSUJKDBSA-N 1 0 493.479 3.932 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313658952 1070861212 /nfs/dbraw/zinc/86/12/12/1070861212.db2.gz VBXVNEDBCKVGIG-PCCBWWKXSA-N 1 0 468.646 3.967 20 0 JHADRO COC(=O)C(C)(C)CS(=O)(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001309565900 1070861146 /nfs/dbraw/zinc/86/11/46/1070861146.db2.gz SDVGUHYQFDKWIN-QFIPXVFZSA-N 1 0 450.645 3.672 20 0 JHADRO COC(=O)C(C)(C)CS(=O)(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001309565898 1070861338 /nfs/dbraw/zinc/86/13/38/1070861338.db2.gz SDVGUHYQFDKWIN-JOCHJYFZSA-N 1 0 450.645 3.672 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001313659450 1070862802 /nfs/dbraw/zinc/86/28/02/1070862802.db2.gz HSNIVKRMIAAXIA-UNMCSNQZSA-N 1 0 452.647 3.726 20 0 JHADRO CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314701410 1070867900 /nfs/dbraw/zinc/86/79/00/1070867900.db2.gz GNNMTSWQDDTKDK-HSZRJFAPSA-N 1 0 496.700 3.658 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001313661725 1070868004 /nfs/dbraw/zinc/86/80/04/1070868004.db2.gz YPLYZHJXVYLMTR-MZNJEOGPSA-N 1 0 472.996 3.961 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001313661939 1070869560 /nfs/dbraw/zinc/86/95/60/1070869560.db2.gz LBOIBQFUJIPQHX-HRAATJIYSA-N 1 0 476.000 3.779 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCC2(CCOCC2)C1)c1ccccc1 ZINC001313663530 1070872267 /nfs/dbraw/zinc/87/22/67/1070872267.db2.gz FHRVEKJFKYOCJQ-HSZRJFAPSA-N 1 0 482.673 3.896 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC001313663591 1070872756 /nfs/dbraw/zinc/87/27/56/1070872756.db2.gz JLPMSDBGOCPDGQ-WIYYLYMNSA-N 1 0 486.661 3.511 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1)c1ccco1 ZINC001313663909 1070874135 /nfs/dbraw/zinc/87/41/35/1070874135.db2.gz IRAOQWYHZWZUOI-HSZRJFAPSA-N 1 0 480.613 3.510 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCCC2)C1)c1ccsc1 ZINC001313666237 1070883023 /nfs/dbraw/zinc/88/30/23/1070883023.db2.gz VBTAVSCIPRKFNV-HXUWFJFHSA-N 1 0 474.675 3.710 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C)=C(C)C1 ZINC001313666309 1070884247 /nfs/dbraw/zinc/88/42/47/1070884247.db2.gz STXIZICNZUJOOV-NRFANRHFSA-N 1 0 452.651 3.729 20 0 JHADRO CN(CC(C)(C)C)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001314709408 1070885217 /nfs/dbraw/zinc/88/52/17/1070885217.db2.gz BMFXYIAVIQXOEQ-UHFFFAOYSA-N 1 0 461.614 3.507 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1)c1ccco1 ZINC001313666883 1070887231 /nfs/dbraw/zinc/88/72/31/1070887231.db2.gz YJDXQMXZBXGQNH-JOCHJYFZSA-N 1 0 480.613 3.746 20 0 JHADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1Cl ZINC001309620089 1070887446 /nfs/dbraw/zinc/88/74/46/1070887446.db2.gz JFSAMMPIRNVKKP-AEFFLSMTSA-N 1 0 473.422 3.642 20 0 JHADRO CN(CC(C)(C)C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314710246 1070887886 /nfs/dbraw/zinc/88/78/86/1070887886.db2.gz QXVVZWZIUQFCJK-FQEVSTJZSA-N 1 0 469.497 3.966 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001313668043 1070891039 /nfs/dbraw/zinc/89/10/39/1070891039.db2.gz NWHFVYMPVPDMFX-GJZUVCINSA-N 1 0 465.646 3.622 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001313668361 1070891524 /nfs/dbraw/zinc/89/15/24/1070891524.db2.gz PRVDRRDMYVJTOI-PKOBYXMFSA-N 1 0 464.705 3.578 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001313670992 1070899176 /nfs/dbraw/zinc/89/91/76/1070899176.db2.gz MNOCDPVBSIFDBL-SFHVURJKSA-N 1 0 498.697 3.987 20 0 JHADRO CN(CC(C)(C)C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314711769 1070893645 /nfs/dbraw/zinc/89/36/45/1070893645.db2.gz ZBCYOFLCLXYSQW-UHFFFAOYSA-N 1 0 451.623 3.525 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001313669289 1070894406 /nfs/dbraw/zinc/89/44/06/1070894406.db2.gz VCELGTDEQQAHJV-JOCHJYFZSA-N 1 0 494.640 3.760 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001313669326 1070894981 /nfs/dbraw/zinc/89/49/81/1070894981.db2.gz VZXLVXJMZIWVGB-LJQANCHMSA-N 1 0 471.650 3.517 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](COC)C1)c1ccsc1 ZINC001313671449 1070899473 /nfs/dbraw/zinc/89/94/73/1070899473.db2.gz JPRILVUBKFVKPH-GHTZIAJQSA-N 1 0 457.648 3.686 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(Cc2ccccc2F)n1CC[NH+]1CCCCCC1 ZINC001314712218 1070895322 /nfs/dbraw/zinc/89/53/22/1070895322.db2.gz IESXFGCKDSMQTF-UHFFFAOYSA-N 1 0 486.680 3.679 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2OC)CC1 ZINC001313669845 1070895524 /nfs/dbraw/zinc/89/55/24/1070895524.db2.gz DUBQVWOFMOLWIX-HXUWFJFHSA-N 1 0 468.671 3.996 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001313670072 1070896391 /nfs/dbraw/zinc/89/63/91/1070896391.db2.gz YKIICZAMZCBBIM-LMNJBCLMSA-N 1 0 479.572 3.692 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001313670299 1070896644 /nfs/dbraw/zinc/89/66/44/1070896644.db2.gz GXTJYAFWNQJVFD-QFIPXVFZSA-N 1 0 481.689 3.613 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313670208 1070896792 /nfs/dbraw/zinc/89/67/92/1070896792.db2.gz ZXHXKZDQORTIIB-OAQYLSRUSA-N 1 0 486.661 3.953 20 0 JHADRO C[NH+](C)C[C@@H](CNS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccc(Cl)cc1 ZINC001309640996 1070897072 /nfs/dbraw/zinc/89/70/72/1070897072.db2.gz GERGDIMTCIQGKL-QGZVFWFLSA-N 1 0 452.020 3.948 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)OC)CC1)c1ccccc1 ZINC001313670577 1070897257 /nfs/dbraw/zinc/89/72/57/1070897257.db2.gz AAQHHKKCCFCKPC-JOCHJYFZSA-N 1 0 450.587 3.746 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCOCC1)c1ccccc1 ZINC001313671630 1070900793 /nfs/dbraw/zinc/90/07/93/1070900793.db2.gz BBQSVRLCEWWTIC-OAQYLSRUSA-N 1 0 487.446 3.966 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccco1 ZINC001313672040 1070901550 /nfs/dbraw/zinc/90/15/50/1070901550.db2.gz MGHICYCNPFAZBK-IEBWSBKVSA-N 1 0 493.534 3.959 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)NC)CC1)c1ccsc1 ZINC001313672019 1070901598 /nfs/dbraw/zinc/90/15/98/1070901598.db2.gz LZNCZYZYRRATIY-NRFANRHFSA-N 1 0 469.659 3.770 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001313672059 1070902375 /nfs/dbraw/zinc/90/23/75/1070902375.db2.gz MHOWNBAHZNSRDU-RBUKOAKNSA-N 1 0 458.607 3.935 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCOC(C)(C)[C@@H]1C)c1ccsc1 ZINC001313672395 1070903196 /nfs/dbraw/zinc/90/31/96/1070903196.db2.gz NJYLBMWRTRJHEI-FXAWDEMLSA-N 1 0 455.632 3.883 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313672347 1070903285 /nfs/dbraw/zinc/90/32/85/1070903285.db2.gz VUGBBFBFORYQOE-OALUTQOASA-N 1 0 482.595 3.681 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2cccn2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)c1ccccc1 ZINC001313672212 1070903304 /nfs/dbraw/zinc/90/33/04/1070903304.db2.gz FNQNCZUFTDKXDS-RCZVLFRGSA-N 1 0 477.657 3.671 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)c1ccccc1 ZINC001313672213 1070903510 /nfs/dbraw/zinc/90/35/10/1070903510.db2.gz FNQNCZUFTDKXDS-RDGATRHJSA-N 1 0 477.657 3.671 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@H](COC)C1)c1ccsc1 ZINC001313672669 1070904574 /nfs/dbraw/zinc/90/45/74/1070904574.db2.gz AFJPFXVJUXJDIC-MJUUVYJYSA-N 1 0 463.648 3.514 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C)c1ccco1 ZINC001313673145 1070906398 /nfs/dbraw/zinc/90/63/98/1070906398.db2.gz CNCXPFDFADUPTD-SIKLNZKXSA-N 1 0 498.603 3.729 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 ZINC001313673364 1070907018 /nfs/dbraw/zinc/90/70/18/1070907018.db2.gz FBVKNSRIGOYCJK-OEMFJLHTSA-N 1 0 468.646 3.565 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001313673498 1070907914 /nfs/dbraw/zinc/90/79/14/1070907914.db2.gz YDKYNVASQBKNTC-KRWDZBQOSA-N 1 0 458.598 3.735 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1)c1ccco1 ZINC001313673653 1070908472 /nfs/dbraw/zinc/90/84/72/1070908472.db2.gz KRVIANKWQMQQQC-IFMALSPDSA-N 1 0 480.613 3.735 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(C2CCC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314713079 1070900081 /nfs/dbraw/zinc/90/00/81/1070900081.db2.gz CWVMEUVRUWYLAZ-HSZRJFAPSA-N 1 0 460.711 3.851 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(CC(N)=O)CC1)c1ccccc1 ZINC001313675984 1070918916 /nfs/dbraw/zinc/91/89/16/1070918916.db2.gz XDJZUADYRVLQIM-QHCPKHFHSA-N 1 0 461.614 3.515 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(C)C)C1)c1ccsc1 ZINC001313674312 1070911176 /nfs/dbraw/zinc/91/11/76/1070911176.db2.gz UQCJGLBFUZJYRK-SFTDATJTSA-N 1 0 457.648 3.684 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 ZINC001313674349 1070911197 /nfs/dbraw/zinc/91/11/97/1070911197.db2.gz VEUVIYMKTQWNRE-QPPBQGQZSA-N 1 0 452.647 3.981 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccco1 ZINC001313675197 1070914954 /nfs/dbraw/zinc/91/49/54/1070914954.db2.gz XWYNCSWDCOQQTA-VQTJNVASSA-N 1 0 456.635 3.963 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCNC(=O)C1)c1ccsc1 ZINC001313675401 1070915525 /nfs/dbraw/zinc/91/55/25/1070915525.db2.gz TZWPWDZCQBXFCF-IBGZPJMESA-N 1 0 489.045 3.688 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(F)F)C1)c1ccsc1 ZINC001313675445 1070916491 /nfs/dbraw/zinc/91/64/91/1070916491.db2.gz ZGSLNMSJNCNGKG-KBAYOESNSA-N 1 0 466.602 3.855 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 ZINC001313675921 1070918676 /nfs/dbraw/zinc/91/86/76/1070918676.db2.gz WGIMUMNRHJKOBS-NRFANRHFSA-N 1 0 470.618 3.931 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](F)C1)c1ccccc1 ZINC001313676631 1070921832 /nfs/dbraw/zinc/92/18/32/1070921832.db2.gz YJYBISNWVUBTEC-ZSLQJQOZSA-N 1 0 459.610 3.879 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC2CC2)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001313677124 1070923643 /nfs/dbraw/zinc/92/36/43/1070923643.db2.gz IBLXDNRLPZCPRD-NRFANRHFSA-N 1 0 464.580 3.998 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC)c1ccccc1 ZINC001313677818 1070926880 /nfs/dbraw/zinc/92/68/80/1070926880.db2.gz LYCKIBPQIFUMCD-NHCUHLMSSA-N 1 0 488.633 3.667 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC)c1ccccc1 ZINC001313677820 1070926899 /nfs/dbraw/zinc/92/68/99/1070926899.db2.gz LYCKIBPQIFUMCD-SFTDATJTSA-N 1 0 488.633 3.667 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1)c1ccco1 ZINC001313680249 1070938283 /nfs/dbraw/zinc/93/82/83/1070938283.db2.gz SIVBXNICWXBZPA-PMACEKPBSA-N 1 0 454.623 3.976 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc([C@H]2CCOC2)n1CCC[NH+]1CCCC1 ZINC001314729592 1070944703 /nfs/dbraw/zinc/94/47/03/1070944703.db2.gz LSSNRZQKAPTZBE-HNNXBMFYSA-N 1 0 454.438 3.728 20 0 JHADRO CN(Cc1ccc(Br)s1)c1nnc(C2CCC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314729861 1070945353 /nfs/dbraw/zinc/94/53/53/1070945353.db2.gz OXPVGHMTCDEXOA-MRXNPFEDSA-N 1 0 468.465 3.853 20 0 JHADRO CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)NCc3ccc(Nc4cc[nH+]cc4)cc3)cc21 ZINC001309725672 1070941141 /nfs/dbraw/zinc/94/11/41/1070941141.db2.gz HNWTVGKRWWHPML-KRWDZBQOSA-N 1 0 450.564 3.586 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)c1ccco1 ZINC001313681742 1070941299 /nfs/dbraw/zinc/94/12/99/1070941299.db2.gz YSCHHQFIUHVVPX-VQTJNVASSA-N 1 0 471.650 3.583 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)NC)CC1)c1ccsc1 ZINC001313681728 1070941342 /nfs/dbraw/zinc/94/13/42/1070941342.db2.gz YMRCIDKTSZBXFD-FQEVSTJZSA-N 1 0 487.699 3.536 20 0 JHADRO CN(Cc1ccc(C(N)=O)cc1)c1nnc(CC2CCCC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314728368 1070941307 /nfs/dbraw/zinc/94/13/07/1070941307.db2.gz SCSAMFBHMPAYCF-NRFANRHFSA-N 1 0 450.587 3.642 20 0 JHADRO CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001313689035 1070948910 /nfs/dbraw/zinc/94/89/10/1070948910.db2.gz KFWQHIWBRMICOT-UHFFFAOYSA-N 1 0 451.619 3.866 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCC(=O)N2)n1CCCCC[NH+]1CCCC1 ZINC001314731741 1070950959 /nfs/dbraw/zinc/95/09/59/1070950959.db2.gz SOKNQFXSDHYDFR-QGZVFWFLSA-N 1 0 451.040 3.847 20 0 JHADRO CN(Cc1ccc(F)c(F)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314732837 1070953680 /nfs/dbraw/zinc/95/36/80/1070953680.db2.gz IHYZHQXLIRXKPN-RBUKOAKNSA-N 1 0 460.554 3.508 20 0 JHADRO COC(=O)c1cc2ccccc2cc1S(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001309752966 1070953750 /nfs/dbraw/zinc/95/37/50/1070953750.db2.gz LNHLLOTVBNVOQN-PGRDOPGGSA-N 1 0 452.576 3.673 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3F)n2CCCN2CCCCC2=O)CC1 ZINC001313693370 1070954737 /nfs/dbraw/zinc/95/47/37/1070954737.db2.gz DSARJLURBAMASF-UHFFFAOYSA-N 1 0 456.610 3.797 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnccn3)n2CCCOc2ccc(F)cc2)CC1 ZINC001313694981 1070958646 /nfs/dbraw/zinc/95/86/46/1070958646.db2.gz JPFBVVKRDDSTLL-UHFFFAOYSA-N 1 0 453.566 3.654 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CC(C)(C)C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 ZINC001313694113 1070955873 /nfs/dbraw/zinc/95/58/73/1070955873.db2.gz DHSLBKXKDADDPY-FQEVSTJZSA-N 1 0 457.667 3.578 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001313693913 1070955922 /nfs/dbraw/zinc/95/59/22/1070955922.db2.gz HYNWEAYHNSAEGF-IBGZPJMESA-N 1 0 473.666 3.755 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC001313693958 1070956025 /nfs/dbraw/zinc/95/60/25/1070956025.db2.gz APNKDYAHZFWPHT-YTTGMZPUSA-N 1 0 454.644 3.511 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 ZINC001313694275 1070956626 /nfs/dbraw/zinc/95/66/26/1070956626.db2.gz FPBQNEPAKMVEPA-WIOPSUGQSA-N 1 0 459.635 3.948 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001313694604 1070957402 /nfs/dbraw/zinc/95/74/02/1070957402.db2.gz HHYBZUJHZBCBJU-DQVLVPHSSA-N 1 0 460.667 3.524 20 0 JHADRO CN(Cc1ccc(F)cc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314734775 1070957914 /nfs/dbraw/zinc/95/79/14/1070957914.db2.gz JNJFDJJBHWLSQU-FQEVSTJZSA-N 1 0 460.573 3.549 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CC)CC1 ZINC001313696832 1070964402 /nfs/dbraw/zinc/96/44/02/1070964402.db2.gz JUNWIEPATMKWDS-NBGIEHNGSA-N 1 0 478.682 3.822 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 ZINC001313696224 1070962491 /nfs/dbraw/zinc/96/24/91/1070962491.db2.gz FYQSYGLFYNUZOX-QPPBQGQZSA-N 1 0 471.646 3.528 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001313696232 1070962642 /nfs/dbraw/zinc/96/26/42/1070962642.db2.gz FYQSYGLFYNUZOX-XUZZJYLKSA-N 1 0 471.646 3.528 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)O)CC1 ZINC001313697021 1070965258 /nfs/dbraw/zinc/96/52/58/1070965258.db2.gz JDKYWUAVCDTELH-UHFFFAOYSA-N 1 0 450.425 3.789 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001313697251 1070965862 /nfs/dbraw/zinc/96/58/62/1070965862.db2.gz XMMSMPGTFSNTIV-UHFFFAOYSA-N 1 0 460.508 3.508 20 0 JHADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314737394 1070966511 /nfs/dbraw/zinc/96/65/11/1070966511.db2.gz QSONBUSCLCQRLQ-UHFFFAOYSA-N 1 0 486.567 3.613 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2ccnn2)CC1 ZINC001313697587 1070966899 /nfs/dbraw/zinc/96/68/99/1070966899.db2.gz MUAATLXNSJCTDS-UHFFFAOYSA-N 1 0 460.989 3.730 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001313697446 1070966974 /nfs/dbraw/zinc/96/69/74/1070966974.db2.gz PDFUQCZSYYKOQA-HYBUGGRVSA-N 1 0 474.694 3.552 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001313697672 1070967658 /nfs/dbraw/zinc/96/76/58/1070967658.db2.gz NSTWLKFHCLXCCR-PXNSSMCTSA-N 1 0 493.494 3.908 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001313697675 1070967731 /nfs/dbraw/zinc/96/77/31/1070967731.db2.gz NTLUGHHEKWCJCO-NRFANRHFSA-N 1 0 498.672 3.531 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001313697763 1070968180 /nfs/dbraw/zinc/96/81/80/1070968180.db2.gz UCHRZSVKQJGBIO-MUUNZHRXSA-N 1 0 496.700 3.944 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(SC)CCC2)CC1 ZINC001313697797 1070968234 /nfs/dbraw/zinc/96/82/34/1070968234.db2.gz VKXAUFOAMAVTSN-UHFFFAOYSA-N 1 0 476.716 3.866 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(Cl)nc2)CC1 ZINC001313697826 1070968288 /nfs/dbraw/zinc/96/82/88/1070968288.db2.gz WFIDMBKUYAHGRY-UHFFFAOYSA-N 1 0 488.061 3.677 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001313697843 1070968309 /nfs/dbraw/zinc/96/83/09/1070968309.db2.gz XFSIPARWDDCCAL-SFHVURJKSA-N 1 0 452.594 3.537 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001313697933 1070968880 /nfs/dbraw/zinc/96/88/80/1070968880.db2.gz XWQXSHKQGCJRFJ-QZTJIDSGSA-N 1 0 462.639 3.718 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001313698605 1070971006 /nfs/dbraw/zinc/97/10/06/1070971006.db2.gz AKAJWKPDHXJEKI-GOSISDBHSA-N 1 0 478.563 3.510 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001313698557 1070971053 /nfs/dbraw/zinc/97/10/53/1070971053.db2.gz HOPLCJRGLLWPIM-IFMALSPDSA-N 1 0 487.092 3.949 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001313699037 1070972528 /nfs/dbraw/zinc/97/25/28/1070972528.db2.gz QYXXMDMDXVBJGI-UPVQGACJSA-N 1 0 496.700 3.901 20 0 JHADRO CN(Cc1cccc(Br)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCCC[NH+]1CCCC1 ZINC001314739506 1070972888 /nfs/dbraw/zinc/97/28/88/1070972888.db2.gz UGJXPLVUTLXYNH-FQEVSTJZSA-N 1 0 489.462 3.894 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(C(C)(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001314739672 1070972935 /nfs/dbraw/zinc/97/29/35/1070972935.db2.gz NSHLAOVPRUNDAR-MGBGTMOVSA-N 1 0 473.687 3.594 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001313699314 1070973292 /nfs/dbraw/zinc/97/32/92/1070973292.db2.gz WFPULXXXSQUIFD-UPVQGACJSA-N 1 0 466.674 3.604 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2Cc2cscc2C)CC1 ZINC001313700041 1070975942 /nfs/dbraw/zinc/97/59/42/1070975942.db2.gz UCSQUUKVIZDPEO-UHFFFAOYSA-N 1 0 466.655 3.662 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CC=CCC2)CC1 ZINC001313699482 1070974207 /nfs/dbraw/zinc/97/42/07/1070974207.db2.gz ZRHWGFQIHHIXFQ-HSZRJFAPSA-N 1 0 480.657 3.512 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001313699868 1070975277 /nfs/dbraw/zinc/97/52/77/1070975277.db2.gz QRZWRBBFYQIZLN-NRFANRHFSA-N 1 0 484.714 3.776 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCNc2nccc(C(F)(F)F)n2)C1 ZINC001313701108 1070978646 /nfs/dbraw/zinc/97/86/46/1070978646.db2.gz BLSIXENNXFJHKU-QGZVFWFLSA-N 1 0 492.550 3.936 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2ccn(C)n2)C1 ZINC001313701213 1070979555 /nfs/dbraw/zinc/97/95/55/1070979555.db2.gz CPYOWAQHJFBXEH-GOSISDBHSA-N 1 0 486.462 3.852 20 0 JHADRO CN(Cc1cccc(Cl)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314742608 1070981494 /nfs/dbraw/zinc/98/14/94/1070981494.db2.gz OCEQMRLQVSEXJH-IBGZPJMESA-N 1 0 453.978 3.555 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](C)OC)C1 ZINC001313701233 1070980027 /nfs/dbraw/zinc/98/00/27/1070980027.db2.gz CXRCFCXYLXEFPW-IRXDYDNUSA-N 1 0 480.451 3.919 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](C)OC)C1 ZINC001313701234 1070980038 /nfs/dbraw/zinc/98/00/38/1070980038.db2.gz CXRCFCXYLXEFPW-SJORKVTESA-N 1 0 480.451 3.919 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCOC2)C1 ZINC001313701238 1070980181 /nfs/dbraw/zinc/98/01/81/1070980181.db2.gz CYZADUIZUKJXNG-ZHRRBRCNSA-N 1 0 468.429 3.571 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001313701593 1070980554 /nfs/dbraw/zinc/98/05/54/1070980554.db2.gz AOVVKMULANUTFE-UHFFFAOYSA-N 1 0 489.668 3.971 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C)CC2)c1 ZINC001313701580 1070980747 /nfs/dbraw/zinc/98/07/47/1070980747.db2.gz AIPUPKFKLCPDGU-UHFFFAOYSA-N 1 0 476.673 3.792 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001313700284 1070976684 /nfs/dbraw/zinc/97/66/84/1070976684.db2.gz DMWVEXVFEGXBIX-UHFFFAOYSA-N 1 0 491.640 3.628 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001313700269 1070976721 /nfs/dbraw/zinc/97/67/21/1070976721.db2.gz DAOJUVFGHMIOMU-NHCUHLMSSA-N 1 0 490.737 3.796 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC2(CC)CCC2)CC1 ZINC001313700422 1070977326 /nfs/dbraw/zinc/97/73/26/1070977326.db2.gz XNKCWKLSPONYNV-UHFFFAOYSA-N 1 0 468.646 3.524 20 0 JHADRO CN(Cc1cccc(C(F)(F)F)c1)c1nnc(C(=O)N2CCCC2)n1CC[NH+]1CCCCC1 ZINC001314741002 1070977792 /nfs/dbraw/zinc/97/77/92/1070977792.db2.gz IOYZMEVJQKSWLG-UHFFFAOYSA-N 1 0 464.536 3.655 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](C(F)F)C2)c1 ZINC001313700673 1070978209 /nfs/dbraw/zinc/97/82/09/1070978209.db2.gz XFVOPIYYMOPQDZ-OAQYLSRUSA-N 1 0 474.600 3.886 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](F)COC)C1 ZINC001313701744 1070981324 /nfs/dbraw/zinc/98/13/24/1070981324.db2.gz KAYSCZCPYVTEGG-HUUCEWRRSA-N 1 0 474.444 3.922 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC(N(C)C(C)=O)CC2)c1 ZINC001313702027 1070982859 /nfs/dbraw/zinc/98/28/59/1070982859.db2.gz FUJXAOGKWCYNPM-UHFFFAOYSA-N 1 0 489.668 3.601 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)c2ccc(C)cc2)CC1 ZINC001313702159 1070983421 /nfs/dbraw/zinc/98/34/21/1070983421.db2.gz AIGSAJVNQHNNAX-LADGPHEKSA-N 1 0 482.673 3.622 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CC(F)(F)CO2)C1 ZINC001313702257 1070983462 /nfs/dbraw/zinc/98/34/62/1070983462.db2.gz NLXVJVLOGHVRSK-IEBWSBKVSA-N 1 0 479.572 3.555 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]3OC(=O)O[C@@H]3C2)cc1 ZINC001313702459 1070984296 /nfs/dbraw/zinc/98/42/96/1070984296.db2.gz ASHANTDAAIGEEZ-LEWJYISDSA-N 1 0 455.603 3.871 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001313703606 1070987437 /nfs/dbraw/zinc/98/74/37/1070987437.db2.gz ZVUHRRGPYLSGJU-JOCHJYFZSA-N 1 0 478.641 3.959 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNC(=O)C(C)C)C1 ZINC001313702934 1070985249 /nfs/dbraw/zinc/98/52/49/1070985249.db2.gz UACOYAWAGWICPD-GOSISDBHSA-N 1 0 491.478 3.648 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)cc1 ZINC001313703205 1070986176 /nfs/dbraw/zinc/98/61/76/1070986176.db2.gz GKNUKXWYNLIRRI-DEOSSOPVSA-N 1 0 491.684 3.915 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 ZINC001313703865 1070988725 /nfs/dbraw/zinc/98/87/25/1070988725.db2.gz HTKYQCLNRNPKDW-GOSISDBHSA-N 1 0 482.032 3.551 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(Cl)c2C)CC1 ZINC001313703929 1070988796 /nfs/dbraw/zinc/98/87/96/1070988796.db2.gz JWWIRALURXFTRL-JOCHJYFZSA-N 1 0 489.064 3.520 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(CC)C2)cc1 ZINC001313704253 1070989399 /nfs/dbraw/zinc/98/93/99/1070989399.db2.gz JUPYPUVHNAHVEQ-RCZVLFRGSA-N 1 0 473.687 3.697 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1 ZINC001313704278 1070989668 /nfs/dbraw/zinc/98/96/68/1070989668.db2.gz KFCFIUXDPTUQDY-NRFANRHFSA-N 1 0 454.663 3.985 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)cc1 ZINC001313704279 1070989821 /nfs/dbraw/zinc/98/98/21/1070989821.db2.gz KFCFIUXDPTUQDY-OAQYLSRUSA-N 1 0 454.663 3.985 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313704884 1070991856 /nfs/dbraw/zinc/99/18/56/1070991856.db2.gz OMMUUKCVOKHHIE-HSZRJFAPSA-N 1 0 454.663 3.593 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001313704675 1070991950 /nfs/dbraw/zinc/99/19/50/1070991950.db2.gz ZTSGORXJHQDHHY-FGZHOGPDSA-N 1 0 465.646 3.643 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(OC3CCOCC3)c2)C1 ZINC001313705564 1070994278 /nfs/dbraw/zinc/99/42/78/1070994278.db2.gz DVIMSDYBPGSAFD-OAQYLSRUSA-N 1 0 470.662 3.745 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC001313706379 1070996424 /nfs/dbraw/zinc/99/64/24/1070996424.db2.gz HYKSWUDKAKIPQR-FQEVSTJZSA-N 1 0 479.629 3.596 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001313706621 1070996878 /nfs/dbraw/zinc/99/68/78/1070996878.db2.gz DKVPMDHOTDPMNY-WOJBJXKFSA-N 1 0 473.666 3.613 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(C)n(C)c2=O)C1 ZINC001313710027 1071003379 /nfs/dbraw/zinc/00/33/79/1071003379.db2.gz UZUUSWASKVWDSQ-FQEVSTJZSA-N 1 0 499.059 3.734 20 0 JHADRO CC1([NH+]2CCCC2)CCC(NS(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CC1 ZINC001309867860 1071000260 /nfs/dbraw/zinc/00/02/60/1071000260.db2.gz SNMCGFQURGTGFW-HNMULJTMSA-N 1 0 477.671 3.798 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001313709034 1071001145 /nfs/dbraw/zinc/00/11/45/1071001145.db2.gz FMBIGLGBWJVFCS-UYAOXDASSA-N 1 0 483.642 3.685 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001313710117 1071003887 /nfs/dbraw/zinc/00/38/87/1071003887.db2.gz BZAJRBPVGQJRDS-SFHVURJKSA-N 1 0 495.441 3.684 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2cccc(C)c2)C1 ZINC001313709177 1071001740 /nfs/dbraw/zinc/00/17/40/1071001740.db2.gz HRYFRAHNVSZGMD-FCHUYYIVSA-N 1 0 452.647 3.681 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2ccc(Br)cc2C1 ZINC001313709784 1071003007 /nfs/dbraw/zinc/00/30/07/1071003007.db2.gz QGTDKHLEOMQIPI-UHFFFAOYSA-N 1 0 498.429 3.940 20 0 JHADRO CN(Cc1ccccc1N1CCOCC1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCCCC1 ZINC001314750969 1071003376 /nfs/dbraw/zinc/00/33/76/1071003376.db2.gz OZBWFIPCYCMETH-UHFFFAOYSA-N 1 0 454.663 3.925 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)C)C1 ZINC001313710613 1071004736 /nfs/dbraw/zinc/00/47/36/1071004736.db2.gz ATRAYWKUTXNUMN-SFTDATJTSA-N 1 0 478.682 3.801 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCS(=O)(=O)CC1 ZINC001313711712 1071006994 /nfs/dbraw/zinc/00/69/94/1071006994.db2.gz PNIJGJVXSDFIIC-UHFFFAOYSA-N 1 0 482.075 3.780 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313712653 1071009441 /nfs/dbraw/zinc/00/94/41/1071009441.db2.gz RCVQQKOLTDPQHP-BVZFJXPGSA-N 1 0 472.703 3.826 20 0 JHADRO CN(Cc1ccco1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314754805 1071008330 /nfs/dbraw/zinc/00/83/30/1071008330.db2.gz MPEOXUXQSYAOGO-HSZRJFAPSA-N 1 0 489.045 3.528 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001313712757 1071009918 /nfs/dbraw/zinc/00/99/18/1071009918.db2.gz UETNIBXJILQAKA-RTBURBONSA-N 1 0 472.703 3.955 20 0 JHADRO CCn1nc(-c2nnc(N3CC[C@@H](C[NH+](CC)CC)C3)n2CCC(C)C)c2ccccc2c1=O ZINC001313713458 1071010333 /nfs/dbraw/zinc/01/03/33/1071010333.db2.gz UMBBPOUHTGAQEJ-FQEVSTJZSA-N 1 0 465.646 3.889 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1C1CCC1 ZINC001313713374 1071010492 /nfs/dbraw/zinc/01/04/92/1071010492.db2.gz ZLZKNHPXFNQNER-QFIPXVFZSA-N 1 0 459.660 3.849 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@H]2OC)C1 ZINC001313714288 1071011975 /nfs/dbraw/zinc/01/19/75/1071011975.db2.gz XBVSXLUNBPPONG-QNWVGRARSA-N 1 0 476.065 3.742 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C1CC1)[NH+](C)C ZINC001314759436 1071014501 /nfs/dbraw/zinc/01/45/01/1071014501.db2.gz FMWRHGHTHPXYNZ-LJQANCHMSA-N 1 0 476.398 3.557 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)C1 ZINC001313714631 1071012677 /nfs/dbraw/zinc/01/26/77/1071012677.db2.gz ZZFWYJUHGFLCRW-CGKQSPDFSA-N 1 0 463.667 3.723 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc[nH]2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001313715592 1071014799 /nfs/dbraw/zinc/01/47/99/1071014799.db2.gz JJSJWDSEOJRRAY-UHFFFAOYSA-N 1 0 454.594 3.718 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001313715254 1071013937 /nfs/dbraw/zinc/01/39/37/1071013937.db2.gz AKZIAFDZLRPBSM-FQEVSTJZSA-N 1 0 470.662 3.553 20 0 JHADRO CC[NH+](CC)CCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001313715242 1071014142 /nfs/dbraw/zinc/01/41/42/1071014142.db2.gz AAFPJEIOOOFKTL-WCYRKSIYSA-N 1 0 485.673 3.979 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(O)cc2)CC1 ZINC001313715931 1071015419 /nfs/dbraw/zinc/01/54/19/1071015419.db2.gz LOFPJKRTHYVOBV-UHFFFAOYSA-N 1 0 454.644 3.695 20 0 JHADRO CC[NH+](CC)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ccccc2)CC1 ZINC001313716185 1071015606 /nfs/dbraw/zinc/01/56/06/1071015606.db2.gz OZBANSXRKYFKEL-UHFFFAOYSA-N 1 0 464.662 3.588 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(COc2ccc(F)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314759889 1071015627 /nfs/dbraw/zinc/01/56/27/1071015627.db2.gz ARCYSJMCDSHNSA-OAQYLSRUSA-N 1 0 469.590 3.731 20 0 JHADRO CC[NH+](CC)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001313717463 1071016872 /nfs/dbraw/zinc/01/68/72/1071016872.db2.gz FAWWLQMZAVDAPE-NRFANRHFSA-N 1 0 462.038 3.747 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(CC2CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314762666 1071020873 /nfs/dbraw/zinc/02/08/73/1071020873.db2.gz CJNVSANVIYTWMB-UHFFFAOYSA-N 1 0 453.557 3.741 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001313721092 1071022594 /nfs/dbraw/zinc/02/25/94/1071022594.db2.gz DSEYYLDVXRBMGU-QGZVFWFLSA-N 1 0 491.478 3.885 20 0 JHADRO C[NH+](C)[C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc(Br)c(C(F)(F)F)c3)C[C@H]2C1 ZINC001309946781 1071025889 /nfs/dbraw/zinc/02/58/89/1071025889.db2.gz ZFLAHSWTTGODSH-YNEHKIRRSA-N 1 0 455.340 3.819 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001313721226 1071023059 /nfs/dbraw/zinc/02/30/59/1071023059.db2.gz IGVDWBZLWAKSBQ-HMXCVIKNSA-N 1 0 457.619 3.555 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313721320 1071023866 /nfs/dbraw/zinc/02/38/66/1071023866.db2.gz YMLNPJOAJFXRHS-DFIYOIEZSA-N 1 0 478.682 3.786 20 0 JHADRO CC[NH+](CC)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001313721407 1071023948 /nfs/dbraw/zinc/02/39/48/1071023948.db2.gz ZRTJQJVEJHREGA-QHCPKHFHSA-N 1 0 493.077 3.987 20 0 JHADRO CC[NH+](CC)CCCn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313721409 1071024025 /nfs/dbraw/zinc/02/40/25/1071024025.db2.gz ZSNOGMBYRRWMFD-NRFANRHFSA-N 1 0 459.557 3.749 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001313723452 1071028697 /nfs/dbraw/zinc/02/86/97/1071028697.db2.gz GJIMVIYNTALGOZ-MJGOQNOKSA-N 1 0 454.541 3.542 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001313722290 1071026368 /nfs/dbraw/zinc/02/63/68/1071026368.db2.gz VCQXHEPOSBVVCO-QGZVFWFLSA-N 1 0 473.000 3.585 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001313722933 1071027932 /nfs/dbraw/zinc/02/79/32/1071027932.db2.gz INZRAVHIHHTWIN-DVECYGJZSA-N 1 0 461.054 3.630 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313723090 1071028327 /nfs/dbraw/zinc/02/83/27/1071028327.db2.gz GFBKLRHIBONCQG-UXHICEINSA-N 1 0 471.650 3.872 20 0 JHADRO CN(Cc1ccsc1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCC(O)CC1 ZINC001314766610 1071028579 /nfs/dbraw/zinc/02/85/79/1071028579.db2.gz UDQOQZMEWOTEDJ-UHFFFAOYSA-N 1 0 479.448 3.580 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001313723320 1071028626 /nfs/dbraw/zinc/02/86/26/1071028626.db2.gz PIZVHJQRYSLKRY-LJQANCHMSA-N 1 0 481.620 3.682 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCc3cc(OC)c(C)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313727117 1071036199 /nfs/dbraw/zinc/03/61/99/1071036199.db2.gz XDXSFIWHYARVCB-ZBLYBZFDSA-N 1 0 485.673 3.929 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001313727018 1071036208 /nfs/dbraw/zinc/03/62/08/1071036208.db2.gz JRFBRDOEDXQGQB-JOCHJYFZSA-N 1 0 482.673 3.877 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC001313725295 1071032486 /nfs/dbraw/zinc/03/24/86/1071032486.db2.gz ILTZUUALWQASPQ-WTIAFYNJSA-N 1 0 457.619 3.837 20 0 JHADRO CN(C(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1)C1CCOCC1 ZINC001309974902 1071034525 /nfs/dbraw/zinc/03/45/25/1071034525.db2.gz FZTUGWBEPGPQJJ-DEOSSOPVSA-N 1 0 450.583 3.724 20 0 JHADRO CN(C(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1)C1CCOCC1 ZINC001309974903 1071034732 /nfs/dbraw/zinc/03/47/32/1071034732.db2.gz FZTUGWBEPGPQJJ-XMMPIXPASA-N 1 0 450.583 3.724 20 0 JHADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(I)cc2C)[C@@H](C)C1 ZINC001309977806 1071036097 /nfs/dbraw/zinc/03/60/97/1071036097.db2.gz HNMRRCCQIXHIGR-MAUKXSAKSA-N 1 0 459.372 3.858 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccccc2CO)CC1 ZINC001313727683 1071037575 /nfs/dbraw/zinc/03/75/75/1071037575.db2.gz YVDTUOGEMLOQKM-JOCHJYFZSA-N 1 0 479.673 3.746 20 0 JHADRO CN(Cc1cscn1)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314771859 1071037686 /nfs/dbraw/zinc/03/76/86/1071037686.db2.gz RYTZIXKACFIWGV-LJQANCHMSA-N 1 0 491.459 3.647 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001313728167 1071038608 /nfs/dbraw/zinc/03/86/08/1071038608.db2.gz QCXAKIIZKZIEQF-JPYJTQIMSA-N 1 0 470.568 3.850 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314772547 1071039374 /nfs/dbraw/zinc/03/93/74/1071039374.db2.gz ZCDUZGRSNWKARC-AWEZNQCLSA-N 1 0 485.580 3.605 20 0 JHADRO CN(Cc1nccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314773291 1071041653 /nfs/dbraw/zinc/04/16/53/1071041653.db2.gz WPGDZDDYCIMPLM-SFHVURJKSA-N 1 0 468.631 3.529 20 0 JHADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC001309991674 1071041963 /nfs/dbraw/zinc/04/19/63/1071041963.db2.gz XKISDFCXZKDMSB-XXBNENTESA-N 1 0 456.612 3.850 20 0 JHADRO CN(Cc1nccs1)c1nnc(-c2ccc(Br)s2)n1CC[NH+]1CCSCC1 ZINC001314774043 1071043031 /nfs/dbraw/zinc/04/30/31/1071043031.db2.gz GQUPXCGLPUSUGC-UHFFFAOYSA-N 1 0 485.502 3.911 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCCCC1 ZINC001313730054 1071043642 /nfs/dbraw/zinc/04/36/42/1071043642.db2.gz RFAJJPRAVSBHBD-FQEVSTJZSA-N 1 0 460.573 3.798 20 0 JHADRO C[N@H+](CCCNC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Cc1ccccc1 ZINC001309997563 1071046882 /nfs/dbraw/zinc/04/68/82/1071046882.db2.gz OEYYKDWRIBAAMY-UHFFFAOYSA-N 1 0 458.628 3.895 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2cccnc2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314775975 1071047681 /nfs/dbraw/zinc/04/76/81/1071047681.db2.gz YPSQLFPXZZSMLO-HXUWFJFHSA-N 1 0 482.995 3.729 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H](C1CC1)[NH+](C)C ZINC001313732340 1071049673 /nfs/dbraw/zinc/04/96/73/1071049673.db2.gz BXVHAWZEBJXGBZ-XMMPIXPASA-N 1 0 475.641 3.717 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001313733923 1071053119 /nfs/dbraw/zinc/05/31/19/1071053119.db2.gz MVBSICZMSKWOBS-XZOQPEGZSA-N 1 0 494.640 3.796 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001313736341 1071058054 /nfs/dbraw/zinc/05/80/54/1071058054.db2.gz WBSKUWSVCBHRGU-UGKGYDQZSA-N 1 0 454.619 3.529 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313736465 1071058523 /nfs/dbraw/zinc/05/85/23/1071058523.db2.gz YWFQFDXOCJAMNG-UHFFFAOYSA-N 1 0 466.630 3.908 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCCCC1 ZINC001313736503 1071058587 /nfs/dbraw/zinc/05/85/87/1071058587.db2.gz ZPJIKKHYDMTBCV-NRFANRHFSA-N 1 0 454.619 3.529 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001313734529 1071054754 /nfs/dbraw/zinc/05/47/54/1071054754.db2.gz RZEBXTCZIZXAAU-GGAORHGYSA-N 1 0 496.681 3.875 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001313734731 1071055139 /nfs/dbraw/zinc/05/51/39/1071055139.db2.gz AVXWRYAHLUFNDK-DHIUTWEWSA-N 1 0 468.646 3.775 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](CC(C)C)C(=O)Nc3nccs3)c(C)c2)CC1 ZINC001310017922 1071062123 /nfs/dbraw/zinc/06/21/23/1071062123.db2.gz BOJZVUBYPVBPJI-FQEVSTJZSA-N 1 0 458.632 3.768 20 0 JHADRO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC001310017884 1071062186 /nfs/dbraw/zinc/06/21/86/1071062186.db2.gz AJYAYYLRRPNWNT-UHFFFAOYSA-N 1 0 453.568 3.598 20 0 JHADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc(C(=O)NC(C)C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001313738377 1071062318 /nfs/dbraw/zinc/06/23/18/1071062318.db2.gz KDENTLIIWAOHGD-IBGZPJMESA-N 1 0 484.645 3.682 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001310018789 1071063376 /nfs/dbraw/zinc/06/33/76/1071063376.db2.gz MRYZAZJZVRVDMP-LAUBAEHRSA-N 1 0 478.037 3.955 20 0 JHADRO CCOC(=O)COc1cccc(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC001310025435 1071069243 /nfs/dbraw/zinc/06/92/43/1071069243.db2.gz DYPAMGLYYWUGEW-LJQANCHMSA-N 1 0 455.555 3.650 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001313740499 1071065581 /nfs/dbraw/zinc/06/55/81/1071065581.db2.gz CNLGIPIUVHKJKJ-RUZDIDTESA-N 1 0 479.673 3.831 20 0 JHADRO CN(C[C@H]1CC=CCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314789969 1071067151 /nfs/dbraw/zinc/06/71/51/1071067151.db2.gz IYKPMTCAHJWRCB-WBADGQHESA-N 1 0 459.679 3.836 20 0 JHADRO CN(CC1CCC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314790476 1071067505 /nfs/dbraw/zinc/06/75/05/1071067505.db2.gz GTNYHWCLILXMQC-NHCUHLMSSA-N 1 0 490.693 3.943 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001313741955 1071068493 /nfs/dbraw/zinc/06/84/93/1071068493.db2.gz LWKXKQCBLYKTKZ-UHFFFAOYSA-N 1 0 491.640 3.841 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313745616 1071074089 /nfs/dbraw/zinc/07/40/89/1071074089.db2.gz JTDZHTOYZQEILZ-NHCUHLMSSA-N 1 0 466.605 3.929 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCCC[C@@H]3COC(=O)N3CCCCC3)cc2)CC1 ZINC001310036335 1071075919 /nfs/dbraw/zinc/07/59/19/1071075919.db2.gz LFBDINQGCBQUKU-HSZRJFAPSA-N 1 0 457.619 3.837 20 0 JHADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NCC[N@H+](C)C3CCCCC3)cc2)C1 ZINC001310042755 1071080019 /nfs/dbraw/zinc/08/00/19/1071080019.db2.gz JWBOOEMOLWMFAB-KDURUIRLSA-N 1 0 450.649 3.739 20 0 JHADRO CN(C[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314799640 1071078068 /nfs/dbraw/zinc/07/80/68/1071078068.db2.gz BCUHWOVIKDFVTM-HXUWFJFHSA-N 1 0 471.650 3.842 20 0 JHADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)CC1 ZINC001310046869 1071082220 /nfs/dbraw/zinc/08/22/20/1071082220.db2.gz UYPABRACPYVMHA-OAQYLSRUSA-N 1 0 459.388 3.806 20 0 JHADRO C[NH+]1CCN(c2ccccc2NC(=O)NC(C)(C)COc2ncccc2C(F)(F)F)CC1 ZINC001310047153 1071082838 /nfs/dbraw/zinc/08/28/38/1071082838.db2.gz XKWALWMEQQJYRR-UHFFFAOYSA-N 1 0 451.493 3.831 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc(Cc2ccccn2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314802511 1071085013 /nfs/dbraw/zinc/08/50/13/1071085013.db2.gz MPDQJYYFNKEZCB-GOTSBHOMSA-N 1 0 452.578 3.711 20 0 JHADRO C[C@H](CNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)C[NH+]1CCCCC1 ZINC001310043321 1071080514 /nfs/dbraw/zinc/08/05/14/1071080514.db2.gz PJVLRJZFLPAPGD-VAMGGRTRSA-N 1 0 450.649 3.597 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(F)cc2Br)n1CC[NH+]1CCSCC1 ZINC001314806176 1071092999 /nfs/dbraw/zinc/09/29/99/1071092999.db2.gz HOKABMPDIZWGQE-MRXNPFEDSA-N 1 0 498.466 3.758 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccncc2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001313755707 1071096350 /nfs/dbraw/zinc/09/63/50/1071096350.db2.gz YRTGKIPAXZJHNL-NHCUHLMSSA-N 1 0 464.662 3.780 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001313755401 1071095736 /nfs/dbraw/zinc/09/57/36/1071095736.db2.gz QUOIDKACQZZXTI-GOSISDBHSA-N 1 0 456.664 3.514 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(CCCc2ccccc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314807376 1071095992 /nfs/dbraw/zinc/09/59/92/1071095992.db2.gz FEHGYQKXZVJLRN-DHLKQENFSA-N 1 0 457.688 3.754 20 0 JHADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001314810636 1071104138 /nfs/dbraw/zinc/10/41/38/1071104138.db2.gz GEFUUJQPWRFWPD-JOCHJYFZSA-N 1 0 487.714 3.891 20 0 JHADRO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc([C@@H]2CCCCO2)n1CC[N@H+](C)C(C)C ZINC001313760530 1071107422 /nfs/dbraw/zinc/10/74/22/1071107422.db2.gz SQXRWYZVWLNBDN-FQEVSTJZSA-N 1 0 453.591 3.535 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(N2CCOC2=O)c1 ZINC001310085862 1071109925 /nfs/dbraw/zinc/10/99/25/1071109925.db2.gz XZXOJEYRVZDEFY-UHFFFAOYSA-N 1 0 452.555 3.836 20 0 JHADRO CN(C[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccco2)[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC001314812471 1071109991 /nfs/dbraw/zinc/10/99/91/1071109991.db2.gz WZHZXKLNPPKTLP-IRFCIJBXSA-N 1 0 488.633 3.719 20 0 JHADRO CCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001313764095 1071110743 /nfs/dbraw/zinc/11/07/43/1071110743.db2.gz CXBWKMVUTZBTQI-RXVVDRJESA-N 1 0 459.660 3.546 20 0 JHADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc(-c2cnn(C)c2)n1CC(F)(F)Br ZINC001314812710 1071110796 /nfs/dbraw/zinc/11/07/96/1071110796.db2.gz ZMWPTHJEZRGZQC-QGZVFWFLSA-N 1 0 494.388 3.625 20 0 JHADRO CN(CC1CCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC001314813019 1071111808 /nfs/dbraw/zinc/11/18/08/1071111808.db2.gz PGEMBVDCBKEQEN-QFIPXVFZSA-N 1 0 490.693 3.741 20 0 JHADRO CN(C)c1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c(C(F)(F)F)c1 ZINC001310105475 1071121027 /nfs/dbraw/zinc/12/10/27/1071121027.db2.gz LZTGUYBUPRXJLT-LAUBAEHRSA-N 1 0 450.505 3.776 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001313773067 1071126145 /nfs/dbraw/zinc/12/61/45/1071126145.db2.gz XYAHSMVGUAIETG-MAUKXSAKSA-N 1 0 465.440 3.534 20 0 JHADRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cn1 ZINC001310114650 1071126512 /nfs/dbraw/zinc/12/65/12/1071126512.db2.gz XHEGJNFBZGFFOW-PZJWPPBQSA-N 1 0 453.587 3.681 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001313775334 1071130992 /nfs/dbraw/zinc/13/09/92/1071130992.db2.gz FUFCVCVQJOWXKS-RTWAWAEBSA-N 1 0 492.462 3.560 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313778912 1071141072 /nfs/dbraw/zinc/14/10/72/1071141072.db2.gz LJGBDLWLJKMRST-MLNNCEHLSA-N 1 0 463.667 3.518 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001313781119 1071145657 /nfs/dbraw/zinc/14/56/57/1071145657.db2.gz SFMBDYQVWMLBDP-RJGXRXQPSA-N 1 0 457.619 3.837 20 0 JHADRO CN(CCC(F)F)c1nnc(Cc2ccccn2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001314825201 1071148357 /nfs/dbraw/zinc/14/83/57/1071148357.db2.gz KBXZIBGOHJCFFK-QFIPXVFZSA-N 1 0 470.568 3.646 20 0 JHADRO COC(=O)c1cc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc(C(=O)OC)c1 ZINC001310153473 1071158675 /nfs/dbraw/zinc/15/86/75/1071158675.db2.gz FKRFHCRRPHOKBJ-IAGOWNOFSA-N 1 0 453.539 3.538 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001313785229 1071158872 /nfs/dbraw/zinc/15/88/72/1071158872.db2.gz JMSFPCWDPXTBPE-VQTJNVASSA-N 1 0 472.600 3.716 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001313785227 1071158925 /nfs/dbraw/zinc/15/89/25/1071158925.db2.gz JMSFPCWDPXTBPE-PMACEKPBSA-N 1 0 472.600 3.716 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C2CC2)[NH+](C)C)C1)CC(F)(F)F ZINC001313786040 1071162302 /nfs/dbraw/zinc/16/23/02/1071162302.db2.gz NQVOWDNQXVJJJZ-HKUYNNGSSA-N 1 0 458.617 3.917 20 0 JHADRO COc1ccccc1OCC(=O)Nc1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001310161980 1071168376 /nfs/dbraw/zinc/16/83/76/1071168376.db2.gz VDFNNQMGWPHTJD-WCRBZPEASA-N 1 0 452.555 3.802 20 0 JHADRO 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CCS(=O)(=O)Nc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1OC ZINC001310175682 1071180978 /nfs/dbraw/zinc/18/09/78/1071180978.db2.gz IBRDOTUHYALDNF-IBGZPJMESA-N 1 0 452.621 3.623 20 0 JHADRO CCN(CCc1cccs1)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+](C)C(C)C ZINC001313792592 1071189660 /nfs/dbraw/zinc/18/96/60/1071189660.db2.gz NKSCSJCFORQYDR-UHFFFAOYSA-N 1 0 479.654 3.663 20 0 JHADRO CN(CCC1CCOCC1)c1nnc(COc2ccc(F)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314841821 1071190320 /nfs/dbraw/zinc/19/03/20/1071190320.db2.gz WAOUXQZLDJPRSE-XMMPIXPASA-N 1 0 477.650 3.686 20 0 JHADRO CCN(CCC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1CC ZINC001313796073 1071195323 /nfs/dbraw/zinc/19/53/23/1071195323.db2.gz KYDJEPZHARKKNN-LEWJYISDSA-N 1 0 476.666 3.697 20 0 JHADRO C[N@H+](CCCn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)Cc1ccccc1 ZINC001314845783 1071201638 /nfs/dbraw/zinc/20/16/38/1071201638.db2.gz SMJBTKRGNWXYEM-DEOSSOPVSA-N 1 0 489.668 3.993 20 0 JHADRO 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CC[N@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C2CC2)C1)CCC(F)(F)F ZINC001313822328 1071285420 /nfs/dbraw/zinc/28/54/20/1071285420.db2.gz POXRGBCBZMZBOD-LJQANCHMSA-N 1 0 453.557 3.650 20 0 JHADRO CC[N@H+](CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C ZINC001313822344 1071285585 /nfs/dbraw/zinc/28/55/85/1071285585.db2.gz PCYHUTIUPALPSZ-XLIONFOSSA-N 1 0 493.077 3.889 20 0 JHADRO CC[N@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C2CC2)C1)CCC(F)(F)F ZINC001313822327 1071285305 /nfs/dbraw/zinc/28/53/05/1071285305.db2.gz POXRGBCBZMZBOD-IBGZPJMESA-N 1 0 453.557 3.650 20 0 JHADRO CC[N@H+](CCn1c(N2CCN(C(=O)OCc3ccccc3)CC2)nnc1C(C)(C)C)C(C)C ZINC001313822926 1071287467 /nfs/dbraw/zinc/28/74/67/1071287467.db2.gz ZHRBYCFBPDLMGT-UHFFFAOYSA-N 1 0 456.635 3.765 20 0 JHADRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001313823430 1071288891 /nfs/dbraw/zinc/28/88/91/1071288891.db2.gz KPQWNMNYIORRGC-RTBURBONSA-N 1 0 482.094 3.837 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1)C(C)C ZINC001313825193 1071292829 /nfs/dbraw/zinc/29/28/29/1071292829.db2.gz BYSFYZQQCSPTMP-DHIUTWEWSA-N 1 0 487.693 3.546 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(C(C)(C)C)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001314877766 1071296509 /nfs/dbraw/zinc/29/65/09/1071296509.db2.gz UNLZSSXZFMJXJS-UHFFFAOYSA-N 1 0 457.663 3.832 20 0 JHADRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC001310316658 1071299384 /nfs/dbraw/zinc/29/93/84/1071299384.db2.gz MBADTCPWEALEHL-UHFFFAOYSA-N 1 0 459.388 3.939 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)OC)CCC(F)(F)F ZINC001313827477 1071299455 /nfs/dbraw/zinc/29/94/55/1071299455.db2.gz XFLWHWIDTODJPB-HNNXBMFYSA-N 1 0 464.533 3.622 20 0 JHADRO O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001310318863 1071301320 /nfs/dbraw/zinc/30/13/20/1071301320.db2.gz QHRAGLUZALQFEL-VQTJNVASSA-N 1 0 451.493 3.781 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3ccccc3OCC[NH+](C)C)CCO2)cn1 ZINC001313833016 1071307365 /nfs/dbraw/zinc/30/73/65/1071307365.db2.gz CRXQCLSXUCJBLR-XMMPIXPASA-N 1 0 495.672 3.650 20 0 JHADRO CN(CCOc1cccc(Cl)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314881795 1071307485 /nfs/dbraw/zinc/30/74/85/1071307485.db2.gz GSWUGSXXLKXQCM-OALUTQOASA-N 1 0 489.045 3.762 20 0 JHADRO CCn1cc(C2CCN(c3nnc(C(=O)NC(C)C)n3CCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cn1 ZINC001313831532 1071304808 /nfs/dbraw/zinc/30/48/08/1071304808.db2.gz YTYVJDGYXOALAW-VXKWHMMOSA-N 1 0 498.720 3.775 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC001310322365 1071305905 /nfs/dbraw/zinc/30/59/05/1071305905.db2.gz AZMYLPNMYIZNLG-LBPRGKRZSA-N 1 0 453.303 3.981 20 0 JHADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(Br)cnc3OCC(F)(F)F)C2)C1 ZINC001310322921 1071306509 /nfs/dbraw/zinc/30/65/09/1071306509.db2.gz KLKFIVCLXCVVJW-INIZCTEOSA-N 1 0 451.287 3.735 20 0 JHADRO CCn1cc(CN(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)C[NH+](C)C)cn1 ZINC001313835009 1071312458 /nfs/dbraw/zinc/31/24/58/1071312458.db2.gz KNINPMMMJVXTDO-UHFFFAOYSA-N 1 0 461.618 3.776 20 0 JHADRO CN(CCOCC1CC1)c1nnc(C(C)(C)C)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001314885005 1071313064 /nfs/dbraw/zinc/31/30/64/1071313064.db2.gz DVGAPHXIKQSGKY-HSZRJFAPSA-N 1 0 455.647 3.730 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCCC[C@H]3C)CCO2)cn1 ZINC001313835995 1071315664 /nfs/dbraw/zinc/31/56/64/1071315664.db2.gz RSNOIOPODRFFEM-IRLDBZIGSA-N 1 0 457.667 3.926 20 0 JHADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)C[C@H]1C ZINC001310337811 1071320149 /nfs/dbraw/zinc/32/01/49/1071320149.db2.gz XYWLWBOFUBDROK-NQIIRXRSSA-N 1 0 450.649 3.976 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)cn1 ZINC001313836791 1071317907 /nfs/dbraw/zinc/31/79/07/1071317907.db2.gz ZLSSCIZBBOJIOM-HXUWFJFHSA-N 1 0 499.635 3.645 20 0 JHADRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)CC1 ZINC001310336901 1071319032 /nfs/dbraw/zinc/31/90/32/1071319032.db2.gz JKTROHGTNFEMIS-UHFFFAOYSA-N 1 0 450.649 3.978 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(Cc4csc(C)n4)n3CC[NH+](C(C)C)C(C)C)CCO2)cn1 ZINC001313837929 1071320738 /nfs/dbraw/zinc/32/07/38/1071320738.db2.gz YLDYBHLERUXZQG-QFIPXVFZSA-N 1 0 486.690 3.547 20 0 JHADRO CCn1cc(Cn2c(-c3ccc(Br)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001313843838 1071332613 /nfs/dbraw/zinc/33/26/13/1071332613.db2.gz YBPRRACSPLLRNJ-UHFFFAOYSA-N 1 0 472.435 3.893 20 0 JHADRO COCc1csc(NC(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC001310357005 1071335207 /nfs/dbraw/zinc/33/52/07/1071335207.db2.gz IWWPDXJSCIQENX-UHFFFAOYSA-N 1 0 457.522 3.642 20 0 JHADRO CCn1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cn1 ZINC001313846284 1071336362 /nfs/dbraw/zinc/33/63/62/1071336362.db2.gz HXSKHMRWFSADEF-UHFFFAOYSA-N 1 0 471.600 3.970 20 0 JHADRO Cn1cc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2ccc(OC(C)(C)C)nc2)cn1 ZINC001314902262 1071339358 /nfs/dbraw/zinc/33/93/58/1071339358.db2.gz VKYDOZOBOGFPFF-UHFFFAOYSA-N 1 0 466.634 3.610 20 0 JHADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCCCO)CC2)cn1 ZINC001314905264 1071343752 /nfs/dbraw/zinc/34/37/52/1071343752.db2.gz TUIWUOBLTPASBH-UHFFFAOYSA-N 1 0 479.673 3.851 20 0 JHADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(C(C)(C)C)n3C[C@@](C)(O)c3ccccc3Cl)CC2)cn1 ZINC001314905490 1071344421 /nfs/dbraw/zinc/34/44/21/1071344421.db2.gz ZDVOZOSDVBXJMC-RUZDIDTESA-N 1 0 486.064 3.583 20 0 JHADRO CCC1([NH+]2CCC2)CCN(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1 ZINC001310371083 1071347355 /nfs/dbraw/zinc/34/73/55/1071347355.db2.gz JINWJIZBFUUWSC-UHFFFAOYSA-N 1 0 456.612 3.647 20 0 JHADRO COC(=O)c1ccc(NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)cc1C(=O)OC ZINC001310378247 1071352732 /nfs/dbraw/zinc/35/27/32/1071352732.db2.gz AYYUQOARILGENO-UHFFFAOYSA-N 1 0 453.539 3.813 20 0 JHADRO Cn1cccc1-c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314913501 1071354505 /nfs/dbraw/zinc/35/45/05/1071354505.db2.gz FVIZIPUYGBHYTN-HXUWFJFHSA-N 1 0 485.677 3.757 20 0 JHADRO O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001310374280 1071349714 /nfs/dbraw/zinc/34/97/14/1071349714.db2.gz VGKWPAFEGCOUKF-QFIPXVFZSA-N 1 0 456.612 3.551 20 0 JHADRO Cn1cc(Nc2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[N@@H+]2CCCO)cn1 ZINC001314909494 1071349651 /nfs/dbraw/zinc/34/96/51/1071349651.db2.gz ZPZHOAJCZREWBP-MRXNPFEDSA-N 1 0 450.374 3.576 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)c2ccccn2)C[C@H]1C ZINC001313858630 1071360271 /nfs/dbraw/zinc/36/02/71/1071360271.db2.gz BKTRXYYZSXZNJC-SWYRRKHMSA-N 1 0 470.662 3.610 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC001313858736 1071361322 /nfs/dbraw/zinc/36/13/22/1071361322.db2.gz HRQLMRCYEGIXJZ-IAGOWNOFSA-N 1 0 464.536 3.500 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCC2(O)CCOCC2)C[C@H]1C ZINC001313860086 1071366410 /nfs/dbraw/zinc/36/64/10/1071366410.db2.gz IZMIJOGPEITFCK-MSOLQXFVSA-N 1 0 492.462 3.558 20 0 JHADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001314923459 1071366760 /nfs/dbraw/zinc/36/67/60/1071366760.db2.gz FRPXZTDCORVEAJ-OAQYLSRUSA-N 1 0 488.627 3.770 20 0 JHADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCCCc2ccccc2)CC1 ZINC001314925279 1071367951 /nfs/dbraw/zinc/36/79/51/1071367951.db2.gz VVUIOMZQOCSXTL-HSZRJFAPSA-N 1 0 466.674 3.632 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001314926258 1071369524 /nfs/dbraw/zinc/36/95/24/1071369524.db2.gz DNKRTWRTUNPDHE-NRFANRHFSA-N 1 0 470.637 3.979 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)O)C[C@@H]1C ZINC001313860913 1071372120 /nfs/dbraw/zinc/37/21/20/1071372120.db2.gz NEXQEHPXORRWNA-HOTGVXAUSA-N 1 0 450.425 3.706 20 0 JHADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cc1Cl ZINC001310422655 1071381377 /nfs/dbraw/zinc/38/13/77/1071381377.db2.gz QURBYTNECDHWMX-FGZHOGPDSA-N 1 0 458.990 3.582 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)C(C)C)C[C@@H]1C ZINC001313863950 1071382310 /nfs/dbraw/zinc/38/23/10/1071382310.db2.gz KWRGPPWFSCIDGO-OALUTQOASA-N 1 0 465.646 3.793 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)N(C)C)C[C@@H]1C ZINC001313862981 1071378010 /nfs/dbraw/zinc/37/80/10/1071378010.db2.gz UHTQJQWFOLQASV-ZWKOTPCHSA-N 1 0 458.676 3.673 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3)n2CCCOCC2CCOCC2)C[C@@H]1C ZINC001313862891 1071379610 /nfs/dbraw/zinc/37/96/10/1071379610.db2.gz COWFVUOANXSPCF-SFTDATJTSA-N 1 0 471.646 3.706 20 0 JHADRO COC(=O)COc1ccc(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c2cccnc12 ZINC001310424141 1071383039 /nfs/dbraw/zinc/38/30/39/1071383039.db2.gz BUMIOXKXFAFDEU-LJQANCHMSA-N 1 0 452.511 3.647 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccn(C)n2)C[C@H]1C ZINC001313863230 1071380402 /nfs/dbraw/zinc/38/04/02/1071380402.db2.gz SFSBPIYXDROUKC-DYXWJJEUSA-N 1 0 451.619 3.736 20 0 JHADRO CSc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)[NH+](C)C)cc1 ZINC001310422031 1071380873 /nfs/dbraw/zinc/38/08/73/1071380873.db2.gz YOQSVYHRQSQBCF-QFIPXVFZSA-N 1 0 456.612 3.742 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2c(C)noc2C)C[C@H]1C ZINC001313863848 1071383950 /nfs/dbraw/zinc/38/39/50/1071383950.db2.gz UIGSVWWQDTYVQG-HUUCEWRRSA-N 1 0 490.450 3.813 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)c(OC)c2)C[C@@H]1C ZINC001313864423 1071386215 /nfs/dbraw/zinc/38/62/15/1071386215.db2.gz UZSRLDVGXQNKTD-MHPIHPPYSA-N 1 0 492.064 3.948 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313864219 1071386449 /nfs/dbraw/zinc/38/64/49/1071386449.db2.gz BKHLEZUCSIEXMF-IAGOWNOFSA-N 1 0 458.598 3.556 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2Cc2nccc(C(F)F)n2)C[C@H]1C ZINC001313865473 1071392013 /nfs/dbraw/zinc/39/20/13/1071392013.db2.gz BAFHMHMTNCMBCK-QZTJIDSGSA-N 1 0 455.557 3.758 20 0 JHADRO CN(C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001310441908 1071392299 /nfs/dbraw/zinc/39/22/99/1071392299.db2.gz IEMQGQOCJPMMJJ-UHFFFAOYSA-N 1 0 455.481 3.545 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C[C@H]1C ZINC001313865597 1071393558 /nfs/dbraw/zinc/39/35/58/1071393558.db2.gz BLOAMJWYFZQWGS-JLHGSKIFSA-N 1 0 496.553 3.941 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccnc(C(F)(F)F)c2)C[C@@H]1C ZINC001313865025 1071390242 /nfs/dbraw/zinc/39/02/42/1071390242.db2.gz WEMUTUURUZXWKZ-BSRJHKFKSA-N 1 0 496.578 3.700 20 0 JHADRO CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001310447418 1071396253 /nfs/dbraw/zinc/39/62/53/1071396253.db2.gz ZGYPLZALBPYOAP-DVECYGJZSA-N 1 0 458.628 3.691 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313866947 1071397393 /nfs/dbraw/zinc/39/73/93/1071397393.db2.gz RIMXMWYFOWGYOY-RTBURBONSA-N 1 0 486.665 3.738 20 0 JHADRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(CCS(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC001310456662 1071400525 /nfs/dbraw/zinc/40/05/25/1071400525.db2.gz QZDLUMCYYXPOME-LJQANCHMSA-N 1 0 457.518 3.717 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC001313867686 1071400795 /nfs/dbraw/zinc/40/07/95/1071400795.db2.gz ADLYYPGFDJEALD-MSOLQXFVSA-N 1 0 489.546 3.838 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OCCOC)cc2)C[C@H]1C ZINC001313867860 1071401549 /nfs/dbraw/zinc/40/15/49/1071401549.db2.gz LJAGWURUVLTHQP-RTBURBONSA-N 1 0 484.670 3.626 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313868003 1071401709 /nfs/dbraw/zinc/40/17/09/1071401709.db2.gz LPGPLYUSWCGNHP-IXDOHACOSA-N 1 0 452.525 3.553 20 0 JHADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)C1 ZINC001310458339 1071402073 /nfs/dbraw/zinc/40/20/73/1071402073.db2.gz DWDJNILLZYUMKW-GOSISDBHSA-N 1 0 456.612 3.659 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)C2CCCCC2)C[C@@H]1C ZINC001313868383 1071403438 /nfs/dbraw/zinc/40/34/38/1071403438.db2.gz MTUSLVDTFWNQPE-XFAGBWLFSA-N 1 0 460.692 3.884 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001313869383 1071408233 /nfs/dbraw/zinc/40/82/33/1071408233.db2.gz PDBLHOHUIBGSBW-RTWAWAEBSA-N 1 0 487.714 3.903 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOC(C)C)C[C@@H]1C ZINC001313870308 1071412529 /nfs/dbraw/zinc/41/25/29/1071412529.db2.gz QINFTPQQQIJEFY-PCCBWWKXSA-N 1 0 478.682 3.737 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001313870091 1071412587 /nfs/dbraw/zinc/41/25/87/1071412587.db2.gz FNDMSCPOSWEFPJ-OALUTQOASA-N 1 0 461.054 3.628 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001313870587 1071413997 /nfs/dbraw/zinc/41/39/97/1071413997.db2.gz DWVUICDEGXRCQL-AWRGLXIESA-N 1 0 489.108 3.798 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001313870588 1071414301 /nfs/dbraw/zinc/41/43/01/1071414301.db2.gz DWVUICDEGXRCQL-DPLHUUCSSA-N 1 0 489.108 3.798 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313871648 1071415832 /nfs/dbraw/zinc/41/58/32/1071415832.db2.gz GWBPVSXORZTZKQ-RBUKOAKNSA-N 1 0 464.618 3.770 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCSC)C[C@@H]1C ZINC001313871862 1071418147 /nfs/dbraw/zinc/41/81/47/1071418147.db2.gz UBMUZXAJZDYUET-SLFFLAALSA-N 1 0 496.722 3.649 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)CC(F)(F)F)C[C@H]1C ZINC001313871751 1071418192 /nfs/dbraw/zinc/41/81/92/1071418192.db2.gz HWNMSRUNNHOSFQ-MSOLQXFVSA-N 1 0 477.579 3.850 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCSC)C[C@H]1C ZINC001313871860 1071418334 /nfs/dbraw/zinc/41/83/34/1071418334.db2.gz UBMUZXAJZDYUET-AABGKKOBSA-N 1 0 496.722 3.649 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC001313871949 1071419954 /nfs/dbraw/zinc/41/99/54/1071419954.db2.gz VWURENBFKSKMDG-SJORKVTESA-N 1 0 468.005 3.919 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2Cc2cc(OC)ccc2OC(F)F)C[C@H]1C ZINC001313872244 1071420108 /nfs/dbraw/zinc/42/01/08/1071420108.db2.gz IXZZMCTWFZSNBQ-QZTJIDSGSA-N 1 0 486.567 3.841 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccn3C)n2Cc2cccc(C(OC)OC)c2)C[C@@H]1C ZINC001313872604 1071420145 /nfs/dbraw/zinc/42/01/45/1071420145.db2.gz JKZIPXOWNXKTDY-RBUKOAKNSA-N 1 0 452.603 3.542 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@H](C)Oc2ccccc2OC)C[C@@H]1C ZINC001313872661 1071422819 /nfs/dbraw/zinc/42/28/19/1071422819.db2.gz KBKZNSAPUAQBCU-UFYCRDLUSA-N 1 0 450.587 3.735 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@@](C)(O)c2ccsc2)C[C@@H]1C ZINC001313872431 1071421052 /nfs/dbraw/zinc/42/10/52/1071421052.db2.gz ANIPNLHSBOITNY-LLJLJFOGSA-N 1 0 473.618 3.884 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CCCC2=O)C[C@H]1C ZINC001313872261 1071421139 /nfs/dbraw/zinc/42/11/39/1071421139.db2.gz VWDIXHMGVLWKCA-NHCUHLMSSA-N 1 0 466.674 3.956 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC001313872827 1071422986 /nfs/dbraw/zinc/42/29/86/1071422986.db2.gz XNRPVYRMVRHFPA-ZWKOTPCHSA-N 1 0 459.635 3.860 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001313873240 1071424860 /nfs/dbraw/zinc/42/48/60/1071424860.db2.gz KJQIYGAOJNCWBS-MSOLQXFVSA-N 1 0 456.541 3.833 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2Cc2ccnc(C(F)(F)F)c2)C[C@H]1C ZINC001313873758 1071426461 /nfs/dbraw/zinc/42/64/61/1071426461.db2.gz MCXKUQPTBRWOKW-IAGOWNOFSA-N 1 0 459.520 3.645 20 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CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1C ZINC001313875166 1071431432 /nfs/dbraw/zinc/43/14/32/1071431432.db2.gz RBEOVLFJTAIEPG-KBPBESRZSA-N 1 0 482.942 3.713 20 0 JHADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2Cc2ccccc2)CC1 ZINC001313875048 1071432054 /nfs/dbraw/zinc/43/20/54/1071432054.db2.gz FJVYNOCUNBIFQK-QHCPKHFHSA-N 1 0 452.647 3.750 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCOCC2CCOCC2)C[C@H]1C ZINC001313875373 1071433748 /nfs/dbraw/zinc/43/37/48/1071433748.db2.gz QEPVESXYBAFNBR-UXHICEINSA-N 1 0 491.627 3.899 20 0 JHADRO CCN1C[C@H](CN(C)c2nnc(-c3cccn3C)n2C[C@H](CC(C)C)[NH+](C)C)Oc2ccccc21 ZINC001313876788 1071439377 /nfs/dbraw/zinc/43/93/77/1071439377.db2.gz OLIMUZLXJCFGIE-VXKWHMMOSA-N 1 0 479.673 3.984 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2snnc2C)C[C@H]1C ZINC001313876993 1071439829 /nfs/dbraw/zinc/43/98/29/1071439829.db2.gz QAJODEGOSROPQS-QZTJIDSGSA-N 1 0 455.632 3.601 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313877114 1071439937 /nfs/dbraw/zinc/43/99/37/1071439937.db2.gz PRVZJYCUJIEWHQ-OYRHEFFESA-N 1 0 466.001 3.710 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)OCCOC)nnc2N2CCc3cc(F)cc(F)c3C2)CC1 ZINC001313875777 1071436102 /nfs/dbraw/zinc/43/61/02/1071436102.db2.gz DAAIKOIMPYIGPR-SFHVURJKSA-N 1 0 477.600 3.965 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3C)n2CC[C@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001313878490 1071445396 /nfs/dbraw/zinc/44/53/96/1071445396.db2.gz YPAYYGGUFVHKSE-ONTIZHBOSA-N 1 0 494.606 3.826 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001314965321 1071446351 /nfs/dbraw/zinc/44/63/51/1071446351.db2.gz TUZNBROAOSTRMK-NRFANRHFSA-N 1 0 470.662 3.557 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2sccc2C)C[C@H]1C ZINC001313879105 1071446748 /nfs/dbraw/zinc/44/67/48/1071446748.db2.gz XTNJAQMOZHJGFD-IAGOWNOFSA-N 1 0 458.657 3.607 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001314966391 1071449682 /nfs/dbraw/zinc/44/96/82/1071449682.db2.gz JANINGQESJQXGG-HSZRJFAPSA-N 1 0 489.462 3.544 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313879406 1071450003 /nfs/dbraw/zinc/45/00/03/1071450003.db2.gz BIAAKMXIEFFWQV-KNQAVFIVSA-N 1 0 489.686 3.508 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3Cl)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001313880283 1071452572 /nfs/dbraw/zinc/45/25/72/1071452572.db2.gz HUEFWUZKRRPGNW-DEOSSOPVSA-N 1 0 459.038 3.683 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314972547 1071460198 /nfs/dbraw/zinc/46/01/98/1071460198.db2.gz YWYYUFPHCVKVFG-UQBPGWFLSA-N 1 0 486.636 3.784 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001314973757 1071462726 /nfs/dbraw/zinc/46/27/26/1071462726.db2.gz MRYQUBDDVFONIH-WZONZLPQSA-N 1 0 473.046 3.925 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313884082 1071463281 /nfs/dbraw/zinc/46/32/81/1071463281.db2.gz KUIHSHLQWDZRGR-QLFBSQMISA-N 1 0 458.554 3.767 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001313885869 1071468140 /nfs/dbraw/zinc/46/81/40/1071468140.db2.gz QRPAJWKOPLFQDT-NHCUHLMSSA-N 1 0 495.672 3.994 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001313886141 1071469118 /nfs/dbraw/zinc/46/91/18/1071469118.db2.gz MLTVKZCHIVIHOW-KRWDZBQOSA-N 1 0 471.005 3.989 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001313886143 1071469128 /nfs/dbraw/zinc/46/91/28/1071469128.db2.gz MLTVKZCHIVIHOW-QGZVFWFLSA-N 1 0 471.005 3.989 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC(C)(COC)CC2)C1 ZINC001313886195 1071469816 /nfs/dbraw/zinc/46/98/16/1071469816.db2.gz MUWLAWZBJIAGDJ-LJQANCHMSA-N 1 0 457.619 3.557 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCSC[C@@H]2C)C1 ZINC001313887034 1071472446 /nfs/dbraw/zinc/47/24/46/1071472446.db2.gz SGFNVNPBYCWBIX-JKSUJKDBSA-N 1 0 450.450 3.991 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001313887952 1071473180 /nfs/dbraw/zinc/47/31/80/1071473180.db2.gz DYPWLRXUBUUUMH-JKSUJKDBSA-N 1 0 465.429 3.686 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)C1 ZINC001313887249 1071473349 /nfs/dbraw/zinc/47/33/49/1071473349.db2.gz ICVVQGHMTIXGEK-ONTIZHBOSA-N 1 0 490.693 3.644 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCC(NC(=O)c3ccc(C)s3)CC2)C1 ZINC001313887227 1071473521 /nfs/dbraw/zinc/47/35/21/1071473521.db2.gz HYBKMSDYORNCJV-IBGZPJMESA-N 1 0 458.676 3.587 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@H](C(=O)OC)C2)C1 ZINC001313888031 1071475112 /nfs/dbraw/zinc/47/51/12/1071475112.db2.gz FXKXLRRSESCZGF-CABCVRRESA-N 1 0 482.448 3.500 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001313888048 1071476080 /nfs/dbraw/zinc/47/60/80/1071476080.db2.gz FZOZTPNMIBBKME-OALUTQOASA-N 1 0 493.743 3.877 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N(C)[C@@H]2CCSC2)C1 ZINC001313888812 1071478333 /nfs/dbraw/zinc/47/83/33/1071478333.db2.gz DPEPBCSHQVLDEA-FUHWJXTLSA-N 1 0 480.476 3.903 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCOC2CCCCCC2)C[C@H]1C ZINC001313889401 1071480097 /nfs/dbraw/zinc/48/00/97/1071480097.db2.gz YBORVWUJEFAQKB-FBPBVXOASA-N 1 0 463.667 3.660 20 0 JHADRO CNC(=O)c1cccc(CCn2c(C(C)C)nnc2N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC001314979718 1071480548 /nfs/dbraw/zinc/48/05/48/1071480548.db2.gz PKXOTWZRMYARHR-QHCPKHFHSA-N 1 0 466.674 3.952 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3C)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC001313890408 1071482221 /nfs/dbraw/zinc/48/22/21/1071482221.db2.gz YLBVEVWFHNBJTE-GOTSBHOMSA-N 1 0 480.701 3.896 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313890941 1071483790 /nfs/dbraw/zinc/48/37/90/1071483790.db2.gz QUZQVDMNYQDGKD-VXKWHMMOSA-N 1 0 498.672 3.953 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H](C(F)F)C2)C1 ZINC001313891145 1071484673 /nfs/dbraw/zinc/48/46/73/1071484673.db2.gz SWDJQWBZUGQKPI-MKXGPGLRSA-N 1 0 482.620 3.872 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC001313892365 1071486195 /nfs/dbraw/zinc/48/61/95/1071486195.db2.gz KMMTUAHLFBZOQV-SFHVURJKSA-N 1 0 472.540 3.928 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCc2ccc(Br)cc2C1 ZINC001313892016 1071486209 /nfs/dbraw/zinc/48/62/09/1071486209.db2.gz BEKFRANORBERGN-DYESRHJHSA-N 1 0 492.462 3.812 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313892835 1071488747 /nfs/dbraw/zinc/48/87/47/1071488747.db2.gz JCVFTURSRZJFSR-NJYVYQBISA-N 1 0 475.609 3.672 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313893132 1071489395 /nfs/dbraw/zinc/48/93/95/1071489395.db2.gz KVSCFLMBXNMYNS-UZKOGDIHSA-N 1 0 484.645 3.787 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001313893342 1071490117 /nfs/dbraw/zinc/49/01/17/1071490117.db2.gz DBRZUAWTBZYNRQ-IHPCNDPISA-N 1 0 474.675 3.622 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001313893511 1071490257 /nfs/dbraw/zinc/49/02/57/1071490257.db2.gz NVEQBHOSUXMMBQ-YFNKSVMNSA-N 1 0 482.673 3.824 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](COC)C1 ZINC001313893616 1071490964 /nfs/dbraw/zinc/49/09/64/1071490964.db2.gz OZVCEMGWMLBYRN-SJORKVTESA-N 1 0 478.435 3.673 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313894020 1071492511 /nfs/dbraw/zinc/49/25/11/1071492511.db2.gz RVNCBQHQUYVQMC-UYAOXDASSA-N 1 0 472.609 3.523 20 0 JHADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001314986443 1071494342 /nfs/dbraw/zinc/49/43/42/1071494342.db2.gz SNLVVGHOALBIGF-TUNNFDKTSA-N 1 0 486.636 3.640 20 0 JHADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001314986531 1071495347 /nfs/dbraw/zinc/49/53/47/1071495347.db2.gz AEXHQBIRTOLEQZ-NRFANRHFSA-N 1 0 456.635 3.567 20 0 JHADRO CC[N@@H+]1CC[C@H](Cn2c(CC3CC3)nnc2N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1 ZINC001313895031 1071495575 /nfs/dbraw/zinc/49/55/75/1071495575.db2.gz KSJCWALEXDBDIU-HLAWJBBLSA-N 1 0 460.667 3.702 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001313895208 1071495780 /nfs/dbraw/zinc/49/57/80/1071495780.db2.gz YYAMQWDNJNEYPS-QHAWAJNXSA-N 1 0 486.636 3.735 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCc1cnccn1 ZINC001313895374 1071497177 /nfs/dbraw/zinc/49/71/77/1071497177.db2.gz HOCODUYUNOJGJR-SFHVURJKSA-N 1 0 488.409 3.800 20 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CC[N@@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001313898440 1071505743 /nfs/dbraw/zinc/50/57/43/1071505743.db2.gz CURJQNAPLNSHJY-LJQANCHMSA-N 1 0 472.037 3.580 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001313898828 1071505925 /nfs/dbraw/zinc/50/59/25/1071505925.db2.gz FRTOTKCFSTXZDN-OAQYLSRUSA-N 1 0 481.670 3.810 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(OC(C)C)CC1 ZINC001313900183 1071508835 /nfs/dbraw/zinc/50/88/35/1071508835.db2.gz MFNLLNOLBZZKPA-JOCHJYFZSA-N 1 0 455.647 3.950 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313899190 1071507071 /nfs/dbraw/zinc/50/70/71/1071507071.db2.gz GSOSBWDXEXCKMO-YFVAEKQCSA-N 1 0 481.563 3.712 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313902076 1071512266 /nfs/dbraw/zinc/51/22/66/1071512266.db2.gz DMWDWFJIJXIDLQ-QHCPKHFHSA-N 1 0 482.673 3.653 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313902111 1071512506 /nfs/dbraw/zinc/51/25/06/1071512506.db2.gz JKNQQAFTRGPPIJ-PMACEKPBSA-N 1 0 484.645 3.884 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001313902398 1071513078 /nfs/dbraw/zinc/51/30/78/1071513078.db2.gz XSTVZBUAGSJMIY-QGZVFWFLSA-N 1 0 459.392 3.740 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313903064 1071514774 /nfs/dbraw/zinc/51/47/74/1071514774.db2.gz BLVGQLVZXMPKON-CLOONOSVSA-N 1 0 473.618 3.588 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313903778 1071515817 /nfs/dbraw/zinc/51/58/17/1071515817.db2.gz RVJGTDVYVFNRLE-LJQANCHMSA-N 1 0 459.038 3.778 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001313903953 1071516474 /nfs/dbraw/zinc/51/64/74/1071516474.db2.gz GFMUWOKIXCROSQ-VXKWHMMOSA-N 1 0 468.646 3.883 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313904525 1071518509 /nfs/dbraw/zinc/51/85/09/1071518509.db2.gz IYSOVNBKOFTOTM-DMJCMNNJSA-N 1 0 489.064 3.908 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001313906638 1071525074 /nfs/dbraw/zinc/52/50/74/1071525074.db2.gz YDLCODMRUFCQEP-UGKGYDQZSA-N 1 0 459.038 3.778 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001313906649 1071525209 /nfs/dbraw/zinc/52/52/09/1071525209.db2.gz YHAXPMMYBHPHBM-AZUAARDMSA-N 1 0 457.619 3.840 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001313905032 1071520719 /nfs/dbraw/zinc/52/07/19/1071520719.db2.gz SNFJLTVLOJBDJX-LJQANCHMSA-N 1 0 456.660 3.937 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313905415 1071521516 /nfs/dbraw/zinc/52/15/16/1071521516.db2.gz XBVIPLALRBHYAT-RTWAWAEBSA-N 1 0 469.634 3.660 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(Br)c1 ZINC001313905828 1071522786 /nfs/dbraw/zinc/52/27/86/1071522786.db2.gz XZAQSRDCYLIDIH-SFHVURJKSA-N 1 0 456.392 3.618 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001315002085 1071526408 /nfs/dbraw/zinc/52/64/08/1071526408.db2.gz RSCGQKJNQZDFPE-DHIUTWEWSA-N 1 0 480.701 3.784 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(N(C)Cc2ccc(Br)o2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313907156 1071526569 /nfs/dbraw/zinc/52/65/69/1071526569.db2.gz YREPQKFAYWOOET-JTSKRJEESA-N 1 0 496.450 3.795 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001313907247 1071527317 /nfs/dbraw/zinc/52/73/17/1071527317.db2.gz ZYEJFXLBGNALFA-STZQEDGTSA-N 1 0 489.064 3.597 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001313907720 1071528912 /nfs/dbraw/zinc/52/89/12/1071528912.db2.gz JYFHMMNBUNLMFN-JOCHJYFZSA-N 1 0 467.662 3.578 20 0 JHADRO CCn1cc(CN(C)c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCC[N@@H+]2CC)cn1 ZINC001313908085 1071529464 /nfs/dbraw/zinc/52/94/64/1071529464.db2.gz LUDPHXHLGFLDIN-OAQYLSRUSA-N 1 0 467.618 3.690 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313909051 1071531560 /nfs/dbraw/zinc/53/15/60/1071531560.db2.gz MGBATELWVQUWKP-VXKWHMMOSA-N 1 0 483.661 3.632 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2c(F)cccc2OC)CC1 ZINC001313909166 1071531909 /nfs/dbraw/zinc/53/19/09/1071531909.db2.gz BTPCAARXOSOUAP-HXUWFJFHSA-N 1 0 458.626 3.825 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](SC)C1 ZINC001313910040 1071533694 /nfs/dbraw/zinc/53/36/94/1071533694.db2.gz UNFZZMQZIKRWPC-NHCUHLMSSA-N 1 0 491.727 3.945 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313911812 1071538325 /nfs/dbraw/zinc/53/83/25/1071538325.db2.gz RGHAIEIOCFOEAI-DWLFOUALSA-N 1 0 483.661 3.872 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313911933 1071538912 /nfs/dbraw/zinc/53/89/12/1071538912.db2.gz STFWQTIFVINMJV-TYPHKJRUSA-N 1 0 469.634 3.564 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313912339 1071540149 /nfs/dbraw/zinc/54/01/49/1071540149.db2.gz HPKWHOJSMQZIKV-ZSYWTGECSA-N 1 0 473.584 3.839 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313914117 1071546036 /nfs/dbraw/zinc/54/60/36/1071546036.db2.gz RLLRUTDIPYFERA-VXKWHMMOSA-N 1 0 468.646 3.738 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313914366 1071546701 /nfs/dbraw/zinc/54/67/01/1071546701.db2.gz MSMUXGLMLNDWCQ-LVXARBLLSA-N 1 0 477.694 3.977 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001313913435 1071543485 /nfs/dbraw/zinc/54/34/85/1071543485.db2.gz PKLGOWVXJUOXSA-CBNMVNINSA-N 1 0 488.627 3.905 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCOC ZINC001313913507 1071543758 /nfs/dbraw/zinc/54/37/58/1071543758.db2.gz PRMMRKURZNWRJO-SFTDATJTSA-N 1 0 478.682 3.740 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001313914807 1071548839 /nfs/dbraw/zinc/54/88/39/1071548839.db2.gz NZLHNTSJVYLADE-DNVJHFABSA-N 1 0 482.673 3.806 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001315025239 1071549194 /nfs/dbraw/zinc/54/91/94/1071549194.db2.gz ZECXNZSLTCITPI-FQEVSTJZSA-N 1 0 454.663 3.740 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001313915123 1071549776 /nfs/dbraw/zinc/54/97/76/1071549776.db2.gz PWCXTGJOZNYYOJ-RBBKRZOGSA-N 1 0 484.689 3.847 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313915121 1071550041 /nfs/dbraw/zinc/55/00/41/1071550041.db2.gz PWCXTGJOZNYYOJ-IFMALSPDSA-N 1 0 484.689 3.847 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313915582 1071550982 /nfs/dbraw/zinc/55/09/82/1071550982.db2.gz YIXWMINEGRHLEN-YPAWHYETSA-N 1 0 490.693 3.740 20 0 JHADRO CCN1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[N@H+](C)C2CCCCC2)CC1=O ZINC001313916395 1071552497 /nfs/dbraw/zinc/55/24/97/1071552497.db2.gz BNMBBJXSXZNGCA-UHFFFAOYSA-N 1 0 498.672 3.676 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313916501 1071553071 /nfs/dbraw/zinc/55/30/71/1071553071.db2.gz YGJDZVCSDJBIHX-UGKGYDQZSA-N 1 0 473.584 3.972 20 0 JHADRO CCN1CCCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@@H](C)[NH+](CC)CC)CC1=O ZINC001313917073 1071554155 /nfs/dbraw/zinc/55/41/55/1071554155.db2.gz RRBUXJZOSWTAOA-RBUKOAKNSA-N 1 0 472.703 3.920 20 0 JHADRO CCN1CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C)[NH+](CC)CC)CC1=O ZINC001313917297 1071554663 /nfs/dbraw/zinc/55/46/63/1071554663.db2.gz XFORIXCRMDZWTK-MRXNPFEDSA-N 1 0 495.441 3.636 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313919522 1071557642 /nfs/dbraw/zinc/55/76/42/1071557642.db2.gz CGCYCJWSBSOPOV-INIZCTEOSA-N 1 0 483.405 3.579 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313920695 1071559394 /nfs/dbraw/zinc/55/93/94/1071559394.db2.gz LORUHLZVPIILAB-QUCCMNQESA-N 1 0 494.656 3.904 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC=CCC2)CC1 ZINC001313920479 1071558661 /nfs/dbraw/zinc/55/86/61/1071558661.db2.gz JKPDAXWYLVGNNS-GOSISDBHSA-N 1 0 489.462 3.509 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(Cc2ccccc2C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315030139 1071558952 /nfs/dbraw/zinc/55/89/52/1071558952.db2.gz QPHLYQDQZMFJMD-IBVKSMDESA-N 1 0 454.663 3.650 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccccn2)CC1 ZINC001313921201 1071561413 /nfs/dbraw/zinc/56/14/13/1071561413.db2.gz OZGNEUYOXBEYMK-NHCUHLMSSA-N 1 0 481.620 3.615 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315031664 1071561632 /nfs/dbraw/zinc/56/16/32/1071561632.db2.gz UCAWSNMQWBYCIZ-UZTOHYMASA-N 1 0 477.657 3.885 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)CCC2CC2)CC1 ZINC001313922364 1071564412 /nfs/dbraw/zinc/56/44/12/1071564412.db2.gz WGYHVTRWIDKAPJ-SFHVURJKSA-N 1 0 475.479 3.970 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)C[NH+]1CCCC1 ZINC001315034030 1071565958 /nfs/dbraw/zinc/56/59/58/1071565958.db2.gz XOFQKRWXPQBUHO-OAHLLOKOSA-N 1 0 453.418 3.556 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001313923196 1071566383 /nfs/dbraw/zinc/56/63/83/1071566383.db2.gz IXWVQDNCCYMNRM-AJSBUHFISA-N 1 0 481.689 3.798 20 0 JHADRO CNC(=O)CCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001315034423 1071566470 /nfs/dbraw/zinc/56/64/70/1071566470.db2.gz MHCAKJSOWXPKSK-CQOQZXRMSA-N 1 0 484.689 3.770 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001313924450 1071570837 /nfs/dbraw/zinc/57/08/37/1071570837.db2.gz GFSQFUZQBUXYDF-INIZCTEOSA-N 1 0 485.986 3.798 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CCO[C@@H](c4ccccc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001313926175 1071575543 /nfs/dbraw/zinc/57/55/43/1071575543.db2.gz ATPBUMWZHNISDD-DENIHFKCSA-N 1 0 475.081 3.833 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313925035 1071571979 /nfs/dbraw/zinc/57/19/79/1071571979.db2.gz LIWVEHDABAKMHH-NZQKXSOJSA-N 1 0 472.703 3.702 20 0 JHADRO CNC(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001315043720 1071575711 /nfs/dbraw/zinc/57/57/11/1071575711.db2.gz TXZKCZZJTDUFBN-OYRHEFFESA-N 1 0 496.700 3.704 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001313925369 1071573559 /nfs/dbraw/zinc/57/35/59/1071573559.db2.gz PDOATOWCVUBGEV-RBUKOAKNSA-N 1 0 471.650 3.807 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001313927355 1071579784 /nfs/dbraw/zinc/57/97/84/1071579784.db2.gz JWMVXVZLZFFGTI-FCHUYYIVSA-N 1 0 454.638 3.827 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313927721 1071581357 /nfs/dbraw/zinc/58/13/57/1071581357.db2.gz JUAOKIBDSLSTOO-GMAHTHKFSA-N 1 0 461.658 3.914 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001313927545 1071580476 /nfs/dbraw/zinc/58/04/76/1071580476.db2.gz MANQHYSUQNYPDU-HXUWFJFHSA-N 1 0 461.054 3.773 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCCCCC2)CC1 ZINC001313928130 1071582406 /nfs/dbraw/zinc/58/24/06/1071582406.db2.gz QPLNKMQBYDLXEA-OAQYLSRUSA-N 1 0 472.703 3.985 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3cc(F)cc(F)c3C2)CC1 ZINC001313928619 1071584374 /nfs/dbraw/zinc/58/43/74/1071584374.db2.gz MKQVJPCXHBOPAH-SFHVURJKSA-N 1 0 460.617 3.734 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCNc2ccccn2)C[C@H]1C ZINC001313928681 1071584594 /nfs/dbraw/zinc/58/45/94/1071584594.db2.gz CGQIAZKQEKUAPV-WOJBJXKFSA-N 1 0 467.593 3.985 20 0 JHADRO CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N1CC[NH+](CC)CC1)C1CCCC1 ZINC001313928740 1071584675 /nfs/dbraw/zinc/58/46/75/1071584675.db2.gz VXGGSRFTZYMOEI-FQEVSTJZSA-N 1 0 458.626 3.791 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313929010 1071585241 /nfs/dbraw/zinc/58/52/41/1071585241.db2.gz WZSSOVUIWGVIBK-SSGKUCQKSA-N 1 0 492.778 3.801 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(C(C)C)nnc3N3CCO[C@](C)(C(C)(C)C)C3)cn2)CC1 ZINC001313929078 1071585886 /nfs/dbraw/zinc/58/58/86/1071585886.db2.gz XJDPDTDTYKMMTN-SANMLTNESA-N 1 0 469.678 3.628 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001315079921 1071589274 /nfs/dbraw/zinc/58/92/74/1071589274.db2.gz XQZJUGCOLCMVEG-JOCHJYFZSA-N 1 0 453.631 3.900 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2CCc2cc(Br)ccc2F)C[C@H]1C ZINC001313930655 1071590270 /nfs/dbraw/zinc/59/02/70/1071590270.db2.gz NSMTYNSKCUNEHL-SJORKVTESA-N 1 0 498.441 3.677 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)C[C@@H]1C ZINC001313930929 1071590837 /nfs/dbraw/zinc/59/08/37/1071590837.db2.gz OHIDDHAUIJVCPS-RBUKOAKNSA-N 1 0 467.593 3.597 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2csc(C(C)C)n2)C[C@H]1C ZINC001313931543 1071592482 /nfs/dbraw/zinc/59/24/82/1071592482.db2.gz FHAKINOCVKETTQ-NTKDMRAZSA-N 1 0 476.691 3.672 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001313931518 1071592765 /nfs/dbraw/zinc/59/27/65/1071592765.db2.gz FBRFWJNAFJCXQH-SFHVURJKSA-N 1 0 481.670 3.776 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001313931515 1071592786 /nfs/dbraw/zinc/59/27/86/1071592786.db2.gz FBRFWJNAFJCXQH-GOSISDBHSA-N 1 0 481.670 3.776 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313931705 1071593138 /nfs/dbraw/zinc/59/31/38/1071593138.db2.gz SKZIWDOBHMKDRL-IFMALSPDSA-N 1 0 482.673 3.824 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2CCc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001313931885 1071593380 /nfs/dbraw/zinc/59/33/80/1071593380.db2.gz SRFKFUCSHCMOJW-MSOLQXFVSA-N 1 0 464.680 3.529 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001313931914 1071594079 /nfs/dbraw/zinc/59/40/79/1071594079.db2.gz SWFZXSOZXGLORX-RTBURBONSA-N 1 0 477.650 4.000 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2=CCCCC2)C[C@@H]1C ZINC001313932360 1071594756 /nfs/dbraw/zinc/59/47/56/1071594756.db2.gz VDSDHDKCPWLKPS-SFHVURJKSA-N 1 0 457.022 3.892 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2=CCCCC2)C[C@H]1C ZINC001313932359 1071594795 /nfs/dbraw/zinc/59/47/95/1071594795.db2.gz VDSDHDKCPWLKPS-GOSISDBHSA-N 1 0 457.022 3.892 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)CCC(C)C)C[C@@H]1C ZINC001313932279 1071594991 /nfs/dbraw/zinc/59/49/91/1071594991.db2.gz HUUIMPOSDRZXEH-JTSKRJEESA-N 1 0 481.483 3.764 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@](C)(O)CC)C[C@H]1C ZINC001313933714 1071599326 /nfs/dbraw/zinc/59/93/26/1071599326.db2.gz QCBSPKUUUXRBGK-IERDGZPVSA-N 1 0 450.425 3.707 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2cccc(F)c2)C[C@@H]1C ZINC001313933819 1071599615 /nfs/dbraw/zinc/59/96/15/1071599615.db2.gz LYCMOLZJDDYXCN-SFHVURJKSA-N 1 0 465.577 3.573 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cccnc2OC)C[C@@H]1C ZINC001313933943 1071600499 /nfs/dbraw/zinc/60/04/99/1071600499.db2.gz PKCLWKWRYVDLEE-INIZCTEOSA-N 1 0 458.513 3.529 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001313934103 1071601210 /nfs/dbraw/zinc/60/12/10/1071601210.db2.gz SEUMSVQMJNRNRG-ZWKOTPCHSA-N 1 0 458.676 3.577 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CC=CCO2)C[C@H]1C ZINC001313934318 1071602387 /nfs/dbraw/zinc/60/23/87/1071602387.db2.gz UCCGHAUZBOJYKM-AEFFLSMTSA-N 1 0 476.419 3.592 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(N(CCOC)[C@H]4CC[C@H](C)C4)nnc3C(C)(C)C)cn2)CC1 ZINC001313934924 1071604257 /nfs/dbraw/zinc/60/42/57/1071604257.db2.gz VESBPTFCHREBTD-GMAHTHKFSA-N 1 0 483.705 3.802 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CC)C[C@@H]1C ZINC001313937031 1071609668 /nfs/dbraw/zinc/60/96/68/1071609668.db2.gz JZOUYGQMQWJWFO-OALUTQOASA-N 1 0 464.655 3.553 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(O)(CC)CC)C[C@H]1C ZINC001313935867 1071607266 /nfs/dbraw/zinc/60/72/66/1071607266.db2.gz JYDVBFTZMZSYLS-MRXNPFEDSA-N 1 0 480.451 3.798 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccco2)C[C@@H]1C ZINC001313936316 1071607936 /nfs/dbraw/zinc/60/79/36/1071607936.db2.gz DFNIYBFMYKCOKC-RBUKOAKNSA-N 1 0 458.607 3.564 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313936460 1071608524 /nfs/dbraw/zinc/60/85/24/1071608524.db2.gz OFIWTGDCGISHCC-QYZOEREBSA-N 1 0 457.619 3.696 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2Br)C[C@H]1C ZINC001313940835 1071615416 /nfs/dbraw/zinc/61/54/16/1071615416.db2.gz PHFOJMKARSTKBK-OAHLLOKOSA-N 1 0 475.460 3.975 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccnc2OCC(F)F)C[C@@H]1C ZINC001313939288 1071613313 /nfs/dbraw/zinc/61/33/13/1071613313.db2.gz QEYXQNSDNHLYOL-KRWDZBQOSA-N 1 0 472.540 3.571 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCSC2)C[C@@H]1C ZINC001313941187 1071616265 /nfs/dbraw/zinc/61/62/65/1071616265.db2.gz AHVKQQVNRTZVGT-DLBZAZTESA-N 1 0 480.476 3.903 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccc2Cl)C[C@@H]1C ZINC001313941306 1071617133 /nfs/dbraw/zinc/61/71/33/1071617133.db2.gz BDYICUVZIIYRLX-KRWDZBQOSA-N 1 0 473.046 3.696 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC3CC3)n2CCCNc2ccc(C(F)(F)F)cn2)C[C@@H]1C ZINC001313941470 1071617439 /nfs/dbraw/zinc/61/74/39/1071617439.db2.gz UYECWKPWGUJSES-INIZCTEOSA-N 1 0 451.541 3.677 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C)cc2OCCOC)C[C@@H]1C ZINC001313941881 1071618260 /nfs/dbraw/zinc/61/82/60/1071618260.db2.gz YMTNYEJSWOXSJN-FQEVSTJZSA-N 1 0 469.655 3.843 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C)s2)C[C@H]1C ZINC001313942488 1071620308 /nfs/dbraw/zinc/62/03/08/1071620308.db2.gz INXYKFCMTOJDEG-QRQLOZEOSA-N 1 0 474.675 3.997 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313945744 1071627396 /nfs/dbraw/zinc/62/73/96/1071627396.db2.gz KDOFVGLRDGWFNT-LJQANCHMSA-N 1 0 492.615 3.868 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001313946569 1071629077 /nfs/dbraw/zinc/62/90/77/1071629077.db2.gz BLFUUDQTJPNXOW-LADGPHEKSA-N 1 0 486.730 3.766 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@H]2OC)C[C@@H]1C ZINC001313947504 1071632327 /nfs/dbraw/zinc/63/23/27/1071632327.db2.gz HVMSQDXDZXONNM-SLFFLAALSA-N 1 0 459.660 3.925 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC[C@](C)(CC)O2)C[C@H]1C ZINC001313948951 1071635193 /nfs/dbraw/zinc/63/51/93/1071635193.db2.gz MPQMZPMSVVZKTD-WPWBMXPQSA-N 1 0 457.619 3.744 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccccc4F)n3CCSCC(C)C)C2)CC1 ZINC001313949205 1071635850 /nfs/dbraw/zinc/63/58/50/1071635850.db2.gz KMAORILTWOZAJC-QFIPXVFZSA-N 1 0 474.694 3.613 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)CC1 ZINC001313949433 1071636318 /nfs/dbraw/zinc/63/63/18/1071636318.db2.gz ILURVCJPLDEUFJ-SFHVURJKSA-N 1 0 481.472 3.752 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4ccc(Cl)cc4)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001313949671 1071636818 /nfs/dbraw/zinc/63/68/18/1071636818.db2.gz NRKCOVFGENWZNC-PKTZIBPZSA-N 1 0 489.108 3.800 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC001313950373 1071637988 /nfs/dbraw/zinc/63/79/88/1071637988.db2.gz VHILZQYLIQKFRK-UCNVEGJOSA-N 1 0 472.609 3.505 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)c2nccs2)C[C@H]1C ZINC001313951133 1071641207 /nfs/dbraw/zinc/64/12/07/1071641207.db2.gz ZSSSYCFASAMUTR-MKXGPGLRSA-N 1 0 489.690 3.839 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313952068 1071644547 /nfs/dbraw/zinc/64/45/47/1071644547.db2.gz XOZVHAONHULWJP-LJQANCHMSA-N 1 0 492.590 3.926 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)C2CCC2)CC1 ZINC001313950871 1071640049 /nfs/dbraw/zinc/64/00/49/1071640049.db2.gz RFEKKXHVKAURLS-SFHVURJKSA-N 1 0 475.479 3.970 20 0 JHADRO CCN1CC[NH+](CCCCn2c(N3CCN(c4ccccc4F)C[C@@H]3C)nnc2C(C)(C)C)CC1 ZINC001313953476 1071649044 /nfs/dbraw/zinc/64/90/44/1071649044.db2.gz GKNRYGABKMCUQI-QFIPXVFZSA-N 1 0 485.696 3.848 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001313954340 1071651177 /nfs/dbraw/zinc/65/11/77/1071651177.db2.gz OFECGRIDGJUHLG-UEXGIBASSA-N 1 0 498.569 3.514 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CC2CCCCC2)CC1 ZINC001313955192 1071653022 /nfs/dbraw/zinc/65/30/22/1071653022.db2.gz QHTTXFFXBGJLFM-NRFANRHFSA-N 1 0 453.679 3.939 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001313955455 1071655451 /nfs/dbraw/zinc/65/54/51/1071655451.db2.gz HQIVOTQIJXFYHF-YGWXTMFKSA-N 1 0 477.072 3.980 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313957954 1071662415 /nfs/dbraw/zinc/66/24/15/1071662415.db2.gz SRTWGGXVOZBXKH-LVXARBLLSA-N 1 0 488.746 3.845 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3ccc(OC)cc3C2)CC1 ZINC001313957967 1071662430 /nfs/dbraw/zinc/66/24/30/1071662430.db2.gz SXDJOCFFCVTINS-NRFANRHFSA-N 1 0 468.690 3.712 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313956156 1071657435 /nfs/dbraw/zinc/65/74/35/1071657435.db2.gz BJCNAKLOJRCAQS-OAQYLSRUSA-N 1 0 480.579 3.601 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001313956768 1071658082 /nfs/dbraw/zinc/65/80/82/1071658082.db2.gz KUMVMHCDUUCMNW-RTWAWAEBSA-N 1 0 458.626 3.536 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001313957082 1071659529 /nfs/dbraw/zinc/65/95/29/1071659529.db2.gz CLZZIUYQGKSHFB-UHFFFAOYSA-N 1 0 460.001 3.730 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC001313957116 1071659570 /nfs/dbraw/zinc/65/95/70/1071659570.db2.gz PUJCAOIDSJIPHD-OAQYLSRUSA-N 1 0 494.606 3.855 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccn3C)nnc2N(C)Cc2ccccc2SC)CC1 ZINC001313957429 1071660729 /nfs/dbraw/zinc/66/07/29/1071660729.db2.gz GMLKKMSOHHGJBY-UHFFFAOYSA-N 1 0 467.687 3.670 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccn3C)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001313957781 1071661248 /nfs/dbraw/zinc/66/12/48/1071661248.db2.gz ILZIZTOJYSRDCE-UHFFFAOYSA-N 1 0 462.067 3.663 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccccc2)CC1 ZINC001313959119 1071665847 /nfs/dbraw/zinc/66/58/47/1071665847.db2.gz ZSVVSOOOENOLRC-NRFANRHFSA-N 1 0 452.672 3.840 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccc(Cl)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313959822 1071667980 /nfs/dbraw/zinc/66/79/80/1071667980.db2.gz BFMVJQVVQCAFRZ-FQEVSTJZSA-N 1 0 475.081 3.554 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C(C)C)C2)CC1 ZINC001313960169 1071669150 /nfs/dbraw/zinc/66/91/50/1071669150.db2.gz FGSWDSUEYIATQY-OAQYLSRUSA-N 1 0 458.626 3.506 20 0 JHADRO CCn1nc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CC[NH+](C(C)C)C(C)C)c2ccccc2c1=O ZINC001313960273 1071669753 /nfs/dbraw/zinc/66/97/53/1071669753.db2.gz HZBRAFYCAQIOTH-OAQYLSRUSA-N 1 0 495.672 3.657 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001313960541 1071669893 /nfs/dbraw/zinc/66/98/93/1071669893.db2.gz KLYVRGDVCFNBNB-VWNXMTODSA-N 1 0 484.689 3.678 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001313961075 1071671754 /nfs/dbraw/zinc/67/17/54/1071671754.db2.gz QASWWXHUXPWXRX-VXKWHMMOSA-N 1 0 470.662 3.518 20 0 JHADRO CCNC(=O)C1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001313978710 1071712657 /nfs/dbraw/zinc/71/26/57/1071712657.db2.gz PZRDYBLMAISCFP-UHFFFAOYSA-N 1 0 470.637 3.625 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC001313981650 1071718491 /nfs/dbraw/zinc/71/84/91/1071718491.db2.gz HCICAAOTBYQSAX-RTBURBONSA-N 1 0 466.655 3.647 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(CC)nnc2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC001313984013 1071721391 /nfs/dbraw/zinc/72/13/91/1071721391.db2.gz ZENLHVSQAFKEHT-QFIPXVFZSA-N 1 0 452.647 3.731 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001313985915 1071724117 /nfs/dbraw/zinc/72/41/17/1071724117.db2.gz DATSVTXEJUEGTJ-UHFFFAOYSA-N 1 0 475.641 3.696 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001313994484 1071730011 /nfs/dbraw/zinc/73/00/11/1071730011.db2.gz WJVUZJJMBDRHNR-VWNXMTODSA-N 1 0 481.689 3.936 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccn3C)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001314014683 1071754477 /nfs/dbraw/zinc/75/44/77/1071754477.db2.gz UJKHDCBLOPOCMN-UHFFFAOYSA-N 1 0 473.666 3.850 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001314014994 1071756349 /nfs/dbraw/zinc/75/63/49/1071756349.db2.gz ZPBMZUJMEFGUHG-UHFFFAOYSA-N 1 0 463.026 3.996 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001314023107 1071778035 /nfs/dbraw/zinc/77/80/35/1071778035.db2.gz PXVMAEYREXSDPP-QFIPXVFZSA-N 1 0 468.646 3.606 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001314025090 1071784977 /nfs/dbraw/zinc/78/49/77/1071784977.db2.gz WFEPFLAQDODHDS-HXUWFJFHSA-N 1 0 472.659 3.642 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314023761 1071780207 /nfs/dbraw/zinc/78/02/07/1071780207.db2.gz IHPXCWJRUWHYPP-YADHBBJMSA-N 1 0 498.672 3.818 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001314025774 1071786578 /nfs/dbraw/zinc/78/65/78/1071786578.db2.gz DESVFOMBLGJXSL-FGZHOGPDSA-N 1 0 469.634 3.566 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001314031098 1071804644 /nfs/dbraw/zinc/80/46/44/1071804644.db2.gz VKPPPWGIHPUFAK-LEWJYISDSA-N 1 0 456.635 3.902 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001314031107 1071804761 /nfs/dbraw/zinc/80/47/61/1071804761.db2.gz VKPPPWGIHPUFAK-RTWAWAEBSA-N 1 0 456.635 3.902 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001314035730 1071824115 /nfs/dbraw/zinc/82/41/15/1071824115.db2.gz 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CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCCCCC1 ZINC001306260585 1068669959 /nfs/dbraw/zinc/66/99/59/1068669959.db2.gz NKLPDYYQLKBCAP-HSZRJFAPSA-N 1 0 482.673 3.745 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H](C)COC ZINC001306279888 1068694255 /nfs/dbraw/zinc/69/42/55/1068694255.db2.gz UDPOHTLGQBBISK-CQOQZXRMSA-N 1 0 454.663 3.550 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H](C)COC ZINC001306279890 1068694305 /nfs/dbraw/zinc/69/43/05/1068694305.db2.gz UDPOHTLGQBBISK-WMTXJRDZSA-N 1 0 454.663 3.550 20 0 JHADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001306280494 1068695996 /nfs/dbraw/zinc/69/59/96/1068695996.db2.gz WGQQICIUPPCOJR-DXBBTUNJSA-N 1 0 490.693 3.943 20 0 JHADRO CC[C@H]1C[C@H](C)CN1c1nnc(-c2cc(OC)ccc2Br)n1CC[N@H+](C)CCOC ZINC001306285450 1068703142 /nfs/dbraw/zinc/70/31/42/1068703142.db2.gz FXGKJPBVOUERQO-IRXDYDNUSA-N 1 0 480.451 3.919 20 0 JHADRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)[NH+](CC)CC ZINC001306285464 1068703714 /nfs/dbraw/zinc/70/37/14/1068703714.db2.gz GBKOUIGFGZDAHW-QKNQBKEWSA-N 1 0 476.691 3.551 20 0 JHADRO CC[C@H]1C[C@@H](C)CN1c1nnc(-c2ccc(OC)cc2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001306292734 1068710335 /nfs/dbraw/zinc/71/03/35/1068710335.db2.gz WZYUGQRBCIFIGO-GGAORHGYSA-N 1 0 454.663 3.996 20 0 JHADRO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001306308174 1068727007 /nfs/dbraw/zinc/72/70/07/1068727007.db2.gz GXNSUCFTOSURHZ-HSZRJFAPSA-N 1 0 457.640 3.530 20 0 JHADRO CC[C@H]1CCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001306310598 1068728826 /nfs/dbraw/zinc/72/88/26/1068728826.db2.gz FURQEWZWPDSORP-LEWJYISDSA-N 1 0 456.635 3.663 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H](C)OCCOC)nnc1N1CCc2ccc(F)cc2C1 ZINC001306316061 1068735607 /nfs/dbraw/zinc/73/56/07/1068735607.db2.gz CXRDISVREWBPCW-WMZHIEFXSA-N 1 0 459.610 3.968 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306316298 1068735723 /nfs/dbraw/zinc/73/57/23/1068735723.db2.gz DZAQZQBMPPZVCI-RTWAWAEBSA-N 1 0 498.697 3.936 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306318181 1068740382 /nfs/dbraw/zinc/74/03/82/1068740382.db2.gz MUECCFHPHMVTOF-XLIONFOSSA-N 1 0 468.067 3.732 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001306318091 1068740402 /nfs/dbraw/zinc/74/04/02/1068740402.db2.gz FCEYLVFACQESNR-HKUYNNGSSA-N 1 0 475.037 3.539 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001306318144 1068740589 /nfs/dbraw/zinc/74/05/89/1068740589.db2.gz FDSRTFMYYCLBHP-NRFANRHFSA-N 1 0 490.096 3.805 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCO[C@H](C)C1 ZINC001306318603 1068742639 /nfs/dbraw/zinc/74/26/39/1068742639.db2.gz PBBOMNSKXDCMNP-DENIHFKCSA-N 1 0 489.064 3.741 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001306318823 1068743343 /nfs/dbraw/zinc/74/33/43/1068743343.db2.gz IHONJFUCCJPWBS-OAQYLSRUSA-N 1 0 498.672 3.674 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 ZINC001306321669 1068752563 /nfs/dbraw/zinc/75/25/63/1068752563.db2.gz HBVRXIIVXXFHSB-VXKWHMMOSA-N 1 0 490.693 3.884 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(SC)c(OC)c1 ZINC001306322418 1068752995 /nfs/dbraw/zinc/75/29/95/1068752995.db2.gz KAYNXCXGWQNLGR-UXHICEINSA-N 1 0 486.686 3.861 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(SC)c(OC)c1 ZINC001306322417 1068753041 /nfs/dbraw/zinc/75/30/41/1068753041.db2.gz KAYNXCXGWQNLGR-PMACEKPBSA-N 1 0 486.686 3.861 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001306322496 1068753598 /nfs/dbraw/zinc/75/35/98/1068753598.db2.gz HOMAVBOPZFHARH-PQNGQFLHSA-N 1 0 471.646 3.991 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC ZINC001306322879 1068755237 /nfs/dbraw/zinc/75/52/37/1068755237.db2.gz MTSIREFWMTYVPI-RBUKOAKNSA-N 1 0 451.619 3.509 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001306323139 1068756584 /nfs/dbraw/zinc/75/65/84/1068756584.db2.gz KSVBZTUCPXTSNT-GOTSBHOMSA-N 1 0 482.673 3.701 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCC=C(Br)C1 ZINC001306323541 1068757333 /nfs/dbraw/zinc/75/73/33/1068757333.db2.gz PJNLCGDPAUJJFK-HKUYNNGSSA-N 1 0 452.441 3.926 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001306324540 1068759891 /nfs/dbraw/zinc/75/98/91/1068759891.db2.gz PMKJBHBKSJGHOV-UXHICEINSA-N 1 0 478.682 3.570 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001306324760 1068760348 /nfs/dbraw/zinc/76/03/48/1068760348.db2.gz PPDXEHIMQVSJOF-VWNXMTODSA-N 1 0 481.689 3.517 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001306325205 1068761171 /nfs/dbraw/zinc/76/11/71/1068761171.db2.gz SPOVHXHGTWZSAO-HSZRJFAPSA-N 1 0 470.637 3.720 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001306325321 1068761877 /nfs/dbraw/zinc/76/18/77/1068761877.db2.gz WXCSEFXPSPRTDR-OAQYLSRUSA-N 1 0 450.635 3.900 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CCCO[C@@H](C)C1 ZINC001306325934 1068763130 /nfs/dbraw/zinc/76/31/30/1068763130.db2.gz WKIDODYWLVJJIR-JTHBVZDNSA-N 1 0 455.647 3.952 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CCCO[C@@H](C)C1 ZINC001306325933 1068763187 /nfs/dbraw/zinc/76/31/87/1068763187.db2.gz WKIDODYWLVJJIR-GMAHTHKFSA-N 1 0 455.647 3.952 20 0 JHADRO CC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C[NH+](CC)CC)C1 ZINC001306338080 1068774847 /nfs/dbraw/zinc/77/48/47/1068774847.db2.gz WQBBTROKBWFTHE-NFBKMPQASA-N 1 0 473.687 3.697 20 0 JHADRO CC[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001306343195 1068778976 /nfs/dbraw/zinc/77/89/76/1068778976.db2.gz QTNORHCTBSOWAV-LEWJYISDSA-N 1 0 458.626 3.649 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001306347600 1068784700 /nfs/dbraw/zinc/78/47/00/1068784700.db2.gz QOFZYJAFLKDIPV-PKOBYXMFSA-N 1 0 479.467 3.926 20 0 JHADRO CC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001306364348 1068800534 /nfs/dbraw/zinc/80/05/34/1068800534.db2.gz OGNBFXHCIICPHI-LJQANCHMSA-N 1 0 459.660 3.849 20 0 JHADRO CC[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001306365011 1068801108 /nfs/dbraw/zinc/80/11/08/1068801108.db2.gz XJEZWCRTWTWLSB-RTWAWAEBSA-N 1 0 488.702 3.696 20 0 JHADRO CC[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCC[N@H+](C)C(C)C)C1 ZINC001306370637 1068804606 /nfs/dbraw/zinc/80/46/06/1068804606.db2.gz FBKLSMFQKHPZQJ-IBGZPJMESA-N 1 0 451.619 3.642 20 0 JHADRO CC[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001306378466 1068810860 /nfs/dbraw/zinc/81/08/60/1068810860.db2.gz ZEOLILHWWUVENG-BDTNDASRSA-N 1 0 490.693 3.945 20 0 JHADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCS[C@H](CC)C1)[N@@H+]1CCc2ccccc2C1 ZINC001306383686 1068816535 /nfs/dbraw/zinc/81/65/35/1068816535.db2.gz FRVIFAHIMDGCLU-FGZHOGPDSA-N 1 0 470.687 3.585 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC2CCN(CC(F)(F)F)CC2)CC[N@@H+]1CCOC ZINC001306388223 1068823845 /nfs/dbraw/zinc/82/38/45/1068823845.db2.gz IMDUOQPENHXRIU-HXUWFJFHSA-N 1 0 488.643 3.787 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001306393812 1068835929 /nfs/dbraw/zinc/83/59/29/1068835929.db2.gz IHZPGINJWNUTLP-PMAPCBKXSA-N 1 0 463.623 3.610 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCCCC2)C[C@H](C)O1 ZINC001306396792 1068845456 /nfs/dbraw/zinc/84/54/56/1068845456.db2.gz KGAOTUHUCDROJI-WMZOPIPTSA-N 1 0 465.440 3.915 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC[N@H+](C)CCOC)C[C@H](C)O1 ZINC001306402509 1068864087 /nfs/dbraw/zinc/86/40/87/1068864087.db2.gz BHBPXYJPZISBMT-ICSRJNTNSA-N 1 0 494.478 3.988 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC001306405074 1068871588 /nfs/dbraw/zinc/87/15/88/1068871588.db2.gz YETQUEAKHOLFNY-ICSRJNTNSA-N 1 0 457.619 3.840 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@](C)(O)c2ccccc2Cl)CC[N@@H+]1CCOC ZINC001306405570 1068873767 /nfs/dbraw/zinc/87/37/67/1068873767.db2.gz QDNPVIFKNKUNDU-CLOONOSVSA-N 1 0 488.032 3.955 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccnc(SC)c2)CC[N@@H+]1CCOC ZINC001306406057 1068875179 /nfs/dbraw/zinc/87/51/79/1068875179.db2.gz UWPNSXZVSRHBSG-LJQANCHMSA-N 1 0 456.616 3.559 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(COC)cc2)CC[N@@H+]1CCOC ZINC001306406530 1068876960 /nfs/dbraw/zinc/87/69/60/1068876960.db2.gz YZNDJEANUCXGHR-JOCHJYFZSA-N 1 0 453.587 3.588 20 0 JHADRO 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ZINC001306571746 1069239608 /nfs/dbraw/zinc/23/96/08/1069239608.db2.gz FJHHCZIXVFGXMP-FQEVSTJZSA-N 1 0 450.631 3.913 20 0 JHADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Nc2ccc(OC)nc2C(F)(F)F)CC1 ZINC001310993095 1069243133 /nfs/dbraw/zinc/24/31/33/1069243133.db2.gz VSXNIBWSFFWRNN-UHFFFAOYSA-N 1 0 451.493 3.568 20 0 JHADRO CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC001311006627 1069246373 /nfs/dbraw/zinc/24/63/73/1069246373.db2.gz HOCMSJRMEZPYNB-UHFFFAOYSA-N 1 0 459.635 3.939 20 0 JHADRO CN(C)C(=O)c1ccc(NC(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)nc1 ZINC001311076652 1069265354 /nfs/dbraw/zinc/26/53/54/1069265354.db2.gz NSJWZGMAVOGXLA-WNCULLNHSA-N 1 0 457.578 3.963 20 0 JHADRO CCCC(O)(CCC)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001306594551 1069266272 /nfs/dbraw/zinc/26/62/72/1069266272.db2.gz MBENEGSEOXWDQP-RTBURBONSA-N 1 0 457.619 3.924 20 0 JHADRO CCCC(O)(CCC)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001306595746 1069268879 /nfs/dbraw/zinc/26/88/79/1069268879.db2.gz YGMOYHJDPZPGTI-UHFFFAOYSA-N 1 0 457.619 3.926 20 0 JHADRO COc1cc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c2nccc(OC)c2c1 ZINC001311182825 1069292156 /nfs/dbraw/zinc/29/21/56/1069292156.db2.gz UHKVJVCWJMBKLE-LJQANCHMSA-N 1 0 450.539 3.530 20 0 JHADRO CCCc1nc(C)c(Cn2c(N3CC[NH+](C[C@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)o1 ZINC001306613324 1069292256 /nfs/dbraw/zinc/29/22/56/1069292256.db2.gz YUQUUDXLCJDQDW-NRFANRHFSA-N 1 0 466.630 3.728 20 0 JHADRO COC(=O)c1cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(Cl)cc1NC(C)=O ZINC001311191816 1069294107 /nfs/dbraw/zinc/29/41/07/1069294107.db2.gz ZDBORTJSSQPYDG-SZNDQCEHSA-N 1 0 458.946 3.727 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2cc(C)on2)CC[N@@H+]1CCOC ZINC001306616468 1069298195 /nfs/dbraw/zinc/29/81/95/1069298195.db2.gz GWNBTAFOGCXZQE-NRFANRHFSA-N 1 0 458.994 3.880 20 0 JHADRO CC(C)(C)OC(=O)N1CCn2nc(NC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2C1 ZINC001311241741 1069306324 /nfs/dbraw/zinc/30/63/24/1069306324.db2.gz DNOMMNWEEIITIT-HXUWFJFHSA-N 1 0 454.575 3.592 20 0 JHADRO CCCOc1c(Br)cc(Br)cc1C[NH2+]CCCN1CCOCC1 ZINC000020967906 195257328 /nfs/dbraw/zinc/25/73/28/195257328.db2.gz KRRAFLYAJZHTQW-UHFFFAOYSA-N 1 0 450.215 3.812 20 0 JHADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c2c1C ZINC001164389443 718815351 /nfs/dbraw/zinc/81/53/51/718815351.db2.gz WIQGMBAZPPRUMN-FQEVSTJZSA-N 1 0 469.577 3.651 20 0 JHADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164401737 718863153 /nfs/dbraw/zinc/86/31/53/718863153.db2.gz HTLUAQSKTDTZPP-PBHICJAKSA-N 1 0 487.334 3.500 20 0 JHADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164413604 718881344 /nfs/dbraw/zinc/88/13/44/718881344.db2.gz KEUXZUUJIGFZPV-QGZVFWFLSA-N 1 0 481.588 3.666 20 0 JHADRO O=S(=O)(Nc1nc2ccccc2nc1Cl)c1cccc(C(F)(F)N2CCC[C@H]3[NH2+]C[C@@H]32)c1 ZINC001164447617 719000420 /nfs/dbraw/zinc/00/04/20/719000420.db2.gz CUYIMMBPSZJXHG-MSOLQXFVSA-N 1 0 479.940 3.570 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc3c(Cl)ncnc3c1)C2 ZINC001164615938 719007816 /nfs/dbraw/zinc/00/78/16/719007816.db2.gz KBQJZQFMKVKTTR-GCJKJVERSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164620740 719010663 /nfs/dbraw/zinc/01/06/63/719010663.db2.gz ZLQJJRKQEOLLCL-DYESRHJHSA-N 1 0 454.949 3.702 20 0 JHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164615204 719015474 /nfs/dbraw/zinc/01/54/74/719015474.db2.gz HKXMSNAYSNXSFQ-YZMDESFKSA-N 1 0 465.715 3.865 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4cc(OC)c(OC)cc43)CC2)CC1 ZINC001164614048 719024356 /nfs/dbraw/zinc/02/43/56/719024356.db2.gz MBEFJMDGNGWPLM-UHFFFAOYSA-N 1 0 462.978 3.544 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccncc4)nc4sccc43)CC2)CC1 ZINC001164618646 719033740 /nfs/dbraw/zinc/03/37/40/719033740.db2.gz XEZZTPXHRGKKJX-UHFFFAOYSA-N 1 0 451.596 3.997 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Oc4ccc(OC)cc4)nc(C)n3)CC2)CC1 ZINC001164617533 719033777 /nfs/dbraw/zinc/03/37/77/719033777.db2.gz LORRXFZGBNMHKV-UHFFFAOYSA-N 1 0 454.571 3.830 20 0 JHADRO O=C(c1cccnc1N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC001164619287 719047092 /nfs/dbraw/zinc/04/70/92/719047092.db2.gz CHNXGWHOXJJHNS-OFSOJUDTSA-N 1 0 481.644 3.623 20 0 JHADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c2c1C ZINC001164621200 719122281 /nfs/dbraw/zinc/12/22/81/719122281.db2.gz LRFMSCWWVJKSJQ-IRXDYDNUSA-N 1 0 475.634 3.676 20 0 JHADRO O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C[C@@H]2CCCO[C@H]12 ZINC001164655939 719326661 /nfs/dbraw/zinc/32/66/61/719326661.db2.gz RWQWWRXLIPFPRT-WEYGHZABSA-N 1 0 480.987 3.557 20 0 JHADRO CC(C)N(C)Cc1nn(-c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164680167 719641984 /nfs/dbraw/zinc/64/19/84/719641984.db2.gz QXFRUXHDSYKANH-UHFFFAOYSA-N 1 0 459.623 3.914 20 0 JHADRO COc1ccc2nc(C(F)(F)n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nc(Cl)c2c1 ZINC001164679500 719643170 /nfs/dbraw/zinc/64/31/70/719643170.db2.gz CZUXKILZUDPOQF-UHFFFAOYSA-N 1 0 450.921 3.572 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4c3CSC4)CC2)c2ccccc21 ZINC001164685368 719664055 /nfs/dbraw/zinc/66/40/55/719664055.db2.gz ZRNZDMNMISOFPH-QGZVFWFLSA-N 1 0 486.085 3.970 20 0 JHADRO Cc1nc(C)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)n1 ZINC001164681477 719665775 /nfs/dbraw/zinc/66/57/75/719665775.db2.gz LJVUZXPSMIXCPR-LJQANCHMSA-N 1 0 456.034 3.840 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)cnc3Cl)CC2)c2ccccc21 ZINC001164680830 719666792 /nfs/dbraw/zinc/66/67/92/719666792.db2.gz HVFNCLAGOTXLHO-INIZCTEOSA-N 1 0 462.425 3.877 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)nc4nc[nH]c43)CC2)c2ccccc21 ZINC001164680518 719667153 /nfs/dbraw/zinc/66/71/53/719667153.db2.gz GWVAEGFEFGNEAK-QGZVFWFLSA-N 1 0 467.017 3.705 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4ncsc43)CC2)c2ccccc21 ZINC001164680018 719668801 /nfs/dbraw/zinc/66/88/01/719668801.db2.gz AVIYTBQJLYGGLL-MRXNPFEDSA-N 1 0 485.057 3.833 20 0 JHADRO C=C(OCC)c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164685817 719669302 /nfs/dbraw/zinc/66/93/02/719669302.db2.gz WCVVSBHVFLPFHI-NRFANRHFSA-N 1 0 463.626 3.577 20 0 JHADRO COc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)c1 ZINC001164685973 719673483 /nfs/dbraw/zinc/67/34/83/719673483.db2.gz WIGQPGFLPXLBCE-GOSISDBHSA-N 1 0 457.018 3.837 20 0 JHADRO CCOC(=O)/C=C/c1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164684571 719673668 /nfs/dbraw/zinc/67/36/68/719673668.db2.gz UVKSQWXPHZJXDN-JBOJMBJVSA-N 1 0 490.648 3.751 20 0 JHADRO CCc1cc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686604 719681728 /nfs/dbraw/zinc/68/17/28/719681728.db2.gz OYACEQMWRJQIRD-SFHVURJKSA-N 1 0 456.034 3.786 20 0 JHADRO COC(=O)c1cc(Cl)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C ZINC001164685437 719681742 /nfs/dbraw/zinc/68/17/42/719681742.db2.gz JZAOYNYDDLYHCS-IBGZPJMESA-N 1 0 499.055 3.923 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccnc(-c4nccs4)n3)CC2)c2ccccc21 ZINC001164687721 719683473 /nfs/dbraw/zinc/68/34/73/719683473.db2.gz URMYYKYLWYNKRT-IBGZPJMESA-N 1 0 476.650 3.694 20 0 JHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)CC2 ZINC001164690251 719750471 /nfs/dbraw/zinc/75/04/71/719750471.db2.gz WVGXYDBWBOWGLN-UHFFFAOYSA-N 1 0 478.666 3.601 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)[nH]1 ZINC001164693747 719810404 /nfs/dbraw/zinc/81/04/04/719810404.db2.gz QYDFMENHRVSKKV-UHFFFAOYSA-N 1 0 460.991 3.798 20 0 JHADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164692772 719814120 /nfs/dbraw/zinc/81/41/20/719814120.db2.gz RSZOBAKZGKDHSH-UHFFFAOYSA-N 1 0 477.700 3.948 20 0 JHADRO CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164699290 719893014 /nfs/dbraw/zinc/89/30/14/719893014.db2.gz ZBYWHNIXTKYOFV-UHFFFAOYSA-N 1 0 452.580 3.739 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)C2 ZINC001164805898 720090944 /nfs/dbraw/zinc/09/09/44/720090944.db2.gz AMTLWNMCRDCACG-BUXKBTBVSA-N 1 0 457.793 3.565 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)C2 ZINC001164805900 720091594 /nfs/dbraw/zinc/09/15/94/720091594.db2.gz AMTLWNMCRDCACG-HXPMCKFVSA-N 1 0 457.793 3.565 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)NCc1ccccc1)CC2 ZINC001164712726 720099168 /nfs/dbraw/zinc/09/91/68/720099168.db2.gz YNBQIVPDEQTWKC-VWLOTQADSA-N 1 0 485.632 3.914 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164712991 720100462 /nfs/dbraw/zinc/10/04/62/720100462.db2.gz ZQAFMQNXRMEAOQ-SANMLTNESA-N 1 0 498.675 3.937 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)CC2 ZINC001164715528 720106107 /nfs/dbraw/zinc/10/61/07/720106107.db2.gz HGOBCGLINLWYCO-GOSISDBHSA-N 1 0 494.970 3.969 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3cc(OC)c(OC)cc31)CC2 ZINC001164719077 720118661 /nfs/dbraw/zinc/11/86/61/720118661.db2.gz VLNLZODXAUCMRB-OAQYLSRUSA-N 1 0 477.609 3.858 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C(=O)OC)cc(Cl)n1)CC2 ZINC001164714315 720123434 /nfs/dbraw/zinc/12/34/34/720123434.db2.gz BXWZPJOTRYVHLI-IBGZPJMESA-N 1 0 494.970 3.969 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N3CCC[C@H](C)C3)cn1)CC2 ZINC001164713590 720140873 /nfs/dbraw/zinc/14/08/73/720140873.db2.gz SIFHQABIYVMXMP-WIOPSUGQSA-N 1 0 477.653 3.856 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164711169 720146418 /nfs/dbraw/zinc/14/64/18/720146418.db2.gz FSENEPMOHKJEOM-MBSDFSHPSA-N 1 0 499.965 3.838 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(cccc3C(=O)OC)n1)CC2 ZINC001164713540 720150094 /nfs/dbraw/zinc/15/00/94/720150094.db2.gz ROAHSZMXUKYVQA-OAQYLSRUSA-N 1 0 460.578 3.924 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(NC(=O)c3ccccc3)n1)CC2 ZINC001164711617 720152110 /nfs/dbraw/zinc/15/21/10/720152110.db2.gz HJXQRWNCWJYDJG-DEOSSOPVSA-N 1 0 486.620 3.940 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)CC2 ZINC001164710837 720153801 /nfs/dbraw/zinc/15/38/01/720153801.db2.gz DNKJXROCIIYLPZ-SFHVURJKSA-N 1 0 480.991 3.643 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164812592 720195490 /nfs/dbraw/zinc/19/54/90/720195490.db2.gz LGQCXCNHFLSQBB-OXQOHEQNSA-N 1 0 458.937 3.557 20 0 JHADRO Cc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164714958 720202434 /nfs/dbraw/zinc/20/24/34/720202434.db2.gz HUZTZQAEXXMFKD-DEOSSOPVSA-N 1 0 496.059 3.682 20 0 JHADRO Cn1nnc2c1CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164718409 720206938 /nfs/dbraw/zinc/20/69/38/720206938.db2.gz LEHMTNHEGZFBQO-NRFANRHFSA-N 1 0 495.018 3.894 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)c3ccccc3n1)CCC2 ZINC001164813356 720212820 /nfs/dbraw/zinc/21/28/20/720212820.db2.gz OUELNEFHWQIRQJ-UHFFFAOYSA-N 1 0 462.932 3.635 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CCC2 ZINC001164814802 720218827 /nfs/dbraw/zinc/21/88/27/720218827.db2.gz ZKICBTGQSZCZEI-UHFFFAOYSA-N 1 0 462.932 3.635 20 0 JHADRO CSc1ccc(Oc2cc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)ncn2)cc1 ZINC001164813968 720232809 /nfs/dbraw/zinc/23/28/09/720232809.db2.gz SKMFHKBFRPASND-UHFFFAOYSA-N 1 0 466.611 3.798 20 0 JHADRO Cc1nc2sc3c(c2c(N2CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C2)n1)CCCC3 ZINC001164812156 720234800 /nfs/dbraw/zinc/23/48/00/720234800.db2.gz CCNHINOEEGZDQF-UHFFFAOYSA-N 1 0 452.628 3.686 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(SCc3ccccc3)n1)CCC2 ZINC001164815590 720242372 /nfs/dbraw/zinc/24/23/72/720242372.db2.gz CJIFFQGMNFYREW-UHFFFAOYSA-N 1 0 450.612 3.576 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)nc3c1CCC3)CCC2 ZINC001164818267 720247610 /nfs/dbraw/zinc/24/76/10/720247610.db2.gz XZQUIUFOWIIGKP-UHFFFAOYSA-N 1 0 451.949 3.576 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nc3ccsc3c(Cl)n2)CC1 ZINC001164828268 720304025 /nfs/dbraw/zinc/30/40/25/720304025.db2.gz ZOCCVEFGIQJLTL-JKSUJKDBSA-N 1 0 469.989 3.801 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nc(Cc3ccccc3)n2)CC1 ZINC001164822002 720311532 /nfs/dbraw/zinc/31/15/32/720311532.db2.gz MGWGGHGFQXRUJP-RTWAWAEBSA-N 1 0 454.018 3.632 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3nc(Cl)cnc3c2)CC1 ZINC001164821282 720314391 /nfs/dbraw/zinc/31/43/91/720314391.db2.gz JSOGQFYSXZCDOM-VQTJNVASSA-N 1 0 463.960 3.740 20 0 JHADRO Cc1nc2sc3c(c2c(N2CC[C@H]4[C@@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCCC3 ZINC001164821461 720336977 /nfs/dbraw/zinc/33/69/77/720336977.db2.gz AKUQZMNAAKCBGZ-PMACEKPBSA-N 1 0 453.656 3.790 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccccn3)nc3ccccc32)CC1 ZINC001164822209 720338457 /nfs/dbraw/zinc/33/84/57/720338457.db2.gz CFTGWYQVKFWDHW-DNQXCXABSA-N 1 0 456.594 3.603 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(F)ccc2-c2ccc(Cl)nn2)CC1 ZINC001164824383 720344485 /nfs/dbraw/zinc/34/44/85/720344485.db2.gz IDDBYQYMDYWSKY-LEWJYISDSA-N 1 0 457.981 3.848 20 0 JHADRO Clc1nc2c(c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n1)CN(Cc1ccccc1)CC2 ZINC001164722686 720347793 /nfs/dbraw/zinc/34/77/93/720347793.db2.gz GLFQFSWEEWBGPY-RPWUZVMVSA-N 1 0 461.013 3.937 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2cccc(F)c2)CC1 ZINC001164821532 720353150 /nfs/dbraw/zinc/35/31/50/720353150.db2.gz AOKYXLLZZGFQHY-VQTJNVASSA-N 1 0 473.980 3.973 20 0 JHADRO O=S(=O)(c1ccccc1)n1c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc2c1ncnc2Cl ZINC001164734722 720425166 /nfs/dbraw/zinc/42/51/66/720425166.db2.gz TUWPSGUYPAOKCR-RTWAWAEBSA-N 1 0 495.008 3.570 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3C(=O)NC3CCCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835791 720514094 /nfs/dbraw/zinc/51/40/94/720514094.db2.gz LKAXWUSRYVBTDB-JCTONOIOSA-N 1 0 450.631 3.718 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3C(=O)NC3CCCCC3)CC[C@@H]21 ZINC001164835794 720514296 /nfs/dbraw/zinc/51/42/96/720514296.db2.gz LKAXWUSRYVBTDB-SSPYTLHUSA-N 1 0 450.631 3.718 20 0 JHADRO CC1CCN(Cc2nc3sc4c(c3c(N3Cc5nccn5C[C@H](C[NH+](C)C)C3)n2)CCC4)CC1 ZINC001164733537 720524553 /nfs/dbraw/zinc/52/45/53/720524553.db2.gz KVZRVZWUROCJQQ-IBGZPJMESA-N 1 0 479.698 3.806 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3ncn4[C@H]3CCCCO3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843049 720541618 /nfs/dbraw/zinc/54/16/18/720541618.db2.gz ZOVZBUZWBURSPX-IYWMVGAKSA-N 1 0 485.036 3.753 20 0 JHADRO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2N1C1CCCC1 ZINC001164833825 720543360 /nfs/dbraw/zinc/54/33/60/720543360.db2.gz BTGLEYRNJANZLB-WDWDUUAGSA-N 1 0 492.672 3.531 20 0 JHADRO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2cc1OC ZINC001164840817 720549616 /nfs/dbraw/zinc/54/96/16/720549616.db2.gz UCHUYNBGBLUNCI-SQGPQFPESA-N 1 0 471.005 3.875 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3ncn4Cc3ccccc3F)CC[C@@H]21 ZINC001164833734 720563211 /nfs/dbraw/zinc/56/32/11/720563211.db2.gz BILSZCHWLQFOKC-GIWBLDEGSA-N 1 0 474.588 3.588 20 0 JHADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843133 720577221 /nfs/dbraw/zinc/57/72/21/720577221.db2.gz WSPYOTJEDPNNTK-SGIRGMQISA-N 1 0 475.641 3.590 20 0 JHADRO COc1ccc(OC)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)c1 ZINC001164843168 720623539 /nfs/dbraw/zinc/62/35/39/720623539.db2.gz XAWWLOAYAHVVGI-DCLXLUIPSA-N 1 0 462.598 3.735 20 0 JHADRO Clc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2cc1Cl ZINC001164739325 720663073 /nfs/dbraw/zinc/66/30/73/720663073.db2.gz NALKTVPANNKYPO-RYUDHWBXSA-N 1 0 451.745 3.722 20 0 JHADRO Clc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1Cl ZINC001164739321 720663633 /nfs/dbraw/zinc/66/36/33/720663633.db2.gz NALKTVPANNKYPO-NEPJUHHUSA-N 1 0 451.745 3.722 20 0 JHADRO CN(C)c1nc(-c2ccccc2)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843382 720697704 /nfs/dbraw/zinc/69/77/04/720697704.db2.gz OZNPJKFKBJFWQZ-HSZRJFAPSA-N 1 0 458.610 3.865 20 0 JHADRO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839842 720714562 /nfs/dbraw/zinc/71/45/62/720714562.db2.gz NTRRJADNVAJATG-FYYLOGMGSA-N 1 0 486.682 3.808 20 0 JHADRO Clc1ccc(-c2ccc(C3OCCCO3)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2)cn1 ZINC001164744657 720741859 /nfs/dbraw/zinc/74/18/59/720741859.db2.gz RWCUKYWDWUNWFV-NHCUHLMSSA-N 1 0 493.995 3.969 20 0 JHADRO c1ccc(-c2ccc(-c3ccc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164740967 720784558 /nfs/dbraw/zinc/78/45/58/720784558.db2.gz LUCWGURPAPDUFD-DNQXCXABSA-N 1 0 450.546 3.943 20 0 JHADRO FC(F)(c1nc2ccsc2c(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746208 720818408 /nfs/dbraw/zinc/81/84/08/720818408.db2.gz YHDOYRRJFGPTMF-YQQAZPJKSA-N 1 0 479.988 3.861 20 0 JHADRO FC(F)(c1nc2ccsc2c(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746210 720818697 /nfs/dbraw/zinc/81/86/97/720818697.db2.gz YHDOYRRJFGPTMF-ZMSDIMECSA-N 1 0 479.988 3.861 20 0 JHADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1Cl ZINC001164739164 720819228 /nfs/dbraw/zinc/81/92/28/720819228.db2.gz HIQLFCBPBDUBQU-XYJFISCASA-N 1 0 479.412 3.536 20 0 JHADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739176 720822793 /nfs/dbraw/zinc/82/27/93/720822793.db2.gz HMAYRGHZSYXDHL-PLMTUMEDSA-N 1 0 473.959 3.799 20 0 JHADRO Clc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164740785 720828237 /nfs/dbraw/zinc/82/82/37/720828237.db2.gz LGOBLCAGLNEUFZ-FRQCXROJSA-N 1 0 458.397 3.908 20 0 JHADRO Clc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164740791 720828311 /nfs/dbraw/zinc/82/83/11/720828311.db2.gz LGOBLCAGLNEUFZ-JTDSTZFVSA-N 1 0 458.397 3.908 20 0 JHADRO Clc1ncc(OCc2ccccc2)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164745638 720830950 /nfs/dbraw/zinc/83/09/50/720830950.db2.gz XOLJOLNJCYQWPT-BHDDXSALSA-N 1 0 480.016 3.680 20 0 JHADRO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2cc1C ZINC001164742506 720836776 /nfs/dbraw/zinc/83/67/76/720836776.db2.gz HCOMWHYKLFKCFY-CNNODRBYSA-N 1 0 452.006 3.871 20 0 JHADRO CSc1ccc(Oc2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)cc1 ZINC001164748971 720841657 /nfs/dbraw/zinc/84/16/57/720841657.db2.gz VFTMSNCRYUBXLO-SXWKCWPCSA-N 1 0 477.638 3.962 20 0 JHADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164742410 720847963 /nfs/dbraw/zinc/84/79/63/720847963.db2.gz GKAYUMUSNZAFJI-AGILITTLSA-N 1 0 492.027 3.958 20 0 JHADRO c1cc2c(nc(-c3ccncc3)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)s1 ZINC001164746234 720855011 /nfs/dbraw/zinc/85/50/11/720855011.db2.gz GNKIMVUBHONVCP-JAXLGGSGSA-N 1 0 472.622 3.724 20 0 JHADRO CC(C)(C)OC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164746201 720856163 /nfs/dbraw/zinc/85/61/63/720856163.db2.gz GJBIPKHSYDJVQN-SFHLNBCPSA-N 1 0 473.021 3.661 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)CC[C@@H]2C1 ZINC001164853584 720859187 /nfs/dbraw/zinc/85/91/87/720859187.db2.gz HTKLDNQDXGFGBF-DYVFJYSZSA-N 1 0 461.340 3.655 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4F)nc4ccc(C)cc43)CC[C@H]2C1 ZINC001164855486 720862036 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C[Si](C)(C)CCOCn1ccc2c1nc(Cl)nc2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165037053 721913444 /nfs/dbraw/zinc/91/34/44/721913444.db2.gz FWVZFBQJVCPPJE-KRWDZBQOSA-N 1 0 452.075 3.698 20 0 JHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[NH+](C[C@H]5CCCO5)CC4)c23)C1 ZINC001165039192 721918277 /nfs/dbraw/zinc/91/82/77/721918277.db2.gz RCXAXGYNPWNIFZ-RTBURBONSA-N 1 0 455.672 3.713 20 0 JHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)[nH]1 ZINC001164939088 721928053 /nfs/dbraw/zinc/92/80/53/721928053.db2.gz IVFDNJJDTYEBIB-UHFFFAOYSA-N 1 0 469.973 3.578 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4c(Cl)nnc(Cl)c4N4CCOCC4)CC3)C2)cc1 ZINC001164944383 721933722 /nfs/dbraw/zinc/93/37/22/721933722.db2.gz SAHYVCGAUZBQDE-UHFFFAOYSA-N 1 0 492.451 3.800 20 0 JHADRO O=C(c1cccnc1N1CCCC[C@@H]1CC[NH+]1CCCC1)N1CCN(Cc2ccccc2)CC1 ZINC001165050189 721973232 /nfs/dbraw/zinc/97/32/32/721973232.db2.gz VTGUMPBRZSUZGQ-RUZDIDTESA-N 1 0 461.654 3.884 20 0 JHADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc21 ZINC001164955925 722021051 /nfs/dbraw/zinc/02/10/51/722021051.db2.gz SVFSWKMIIGWFFK-UHFFFAOYSA-N 1 0 488.617 3.556 20 0 JHADRO Cc1ccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164964100 722025537 /nfs/dbraw/zinc/02/55/37/722025537.db2.gz VLYUGPRCXKUTDZ-IBVKSMDESA-N 1 0 492.027 3.793 20 0 JHADRO COc1cc2nc(Cl)c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2cc1OC ZINC001164964805 722056319 /nfs/dbraw/zinc/05/63/19/722056319.db2.gz XVAUJXFAODOFMK-UHFFFAOYSA-N 1 0 484.000 3.814 20 0 JHADRO COc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)c(OC)c1 ZINC001164962521 722061053 /nfs/dbraw/zinc/06/10/53/722061053.db2.gz SZAGBPXVXBVDDT-UHFFFAOYSA-N 1 0 475.593 3.675 20 0 JHADRO Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164982351 722108237 /nfs/dbraw/zinc/10/82/37/722108237.db2.gz NRXCEDHYQXXQIS-WIOPSUGQSA-N 1 0 491.039 3.768 20 0 JHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975697 722111226 /nfs/dbraw/zinc/11/12/26/722111226.db2.gz KJMSKGGSXSLBIE-TZIWHRDSSA-N 1 0 479.606 3.504 20 0 JHADRO c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164975218 722138021 /nfs/dbraw/zinc/13/80/21/722138021.db2.gz FTKBJTUUZCKLCB-DHLKQENFSA-N 1 0 458.610 3.742 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983335 722138353 /nfs/dbraw/zinc/13/83/53/722138353.db2.gz UGTQMLJOAMAVCW-PMACEKPBSA-N 1 0 486.954 3.859 20 0 JHADRO c1ccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)nc1 ZINC001164984180 722140378 /nfs/dbraw/zinc/14/03/78/722140378.db2.gz WEHAUYUOZLJNAY-OFVILXPXSA-N 1 0 452.562 3.814 20 0 JHADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)o2)cc1 ZINC001164976105 722142881 /nfs/dbraw/zinc/14/28/81/722142881.db2.gz HEZGLJMIXWHNKB-VXKWHMMOSA-N 1 0 456.550 3.716 20 0 JHADRO c1csc(-c2noc(-c3ccnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c3)n2)c1 ZINC001164985437 722149800 /nfs/dbraw/zinc/14/98/00/722149800.db2.gz ZLYIWKWXIJEINP-NHCUHLMSSA-N 1 0 474.590 3.982 20 0 JHADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972244 722153724 /nfs/dbraw/zinc/15/37/24/722153724.db2.gz HNNXDBHQVXCLPJ-WBVHZDCISA-N 1 0 459.324 3.935 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2c([C@@H]3COCCN3)nccc2=NCc2ccco2)nc1 ZINC001164986316 722172964 /nfs/dbraw/zinc/17/29/64/722172964.db2.gz JRBFTEPIEWEVLA-XZOQPEGZSA-N 1 0 462.598 3.559 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1 ZINC001165000738 722218923 /nfs/dbraw/zinc/21/89/23/722218923.db2.gz YGTBYEQUKWPXJO-SQHAQQRYSA-N 1 0 476.625 3.845 20 0 JHADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2cc(OC(F)(F)F)ccc2Br)CCO1 ZINC001311259705 1069311116 /nfs/dbraw/zinc/31/11/16/1069311116.db2.gz KDEIWCFOIWEJFQ-CYBMUJFWSA-N 1 0 454.287 3.922 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2ccsc2)CC[N@@H+]1CCOC ZINC001306622727 1069313108 /nfs/dbraw/zinc/31/31/08/1069313108.db2.gz DBDRSSLLZFQHIR-OFVILXPXSA-N 1 0 484.670 3.555 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)CCO1 ZINC001306623006 1069314186 /nfs/dbraw/zinc/31/41/86/1069314186.db2.gz APXLOTHTIZFYSZ-RZUBCFFCSA-N 1 0 490.693 3.881 20 0 JHADRO Cc1cc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccc1S(=O)(=O)N(C)C ZINC001311281048 1069314359 /nfs/dbraw/zinc/31/43/59/1069314359.db2.gz WOJPGTGDSWUQHE-LJQANCHMSA-N 1 0 458.628 3.941 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)c2ccccc2)CC[N@@H+]1CCOC ZINC001306624128 1069316541 /nfs/dbraw/zinc/31/65/41/1069316541.db2.gz IFHXLJQFDOPPGC-CTNGQTDRSA-N 1 0 463.573 3.511 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CCCCC2)CC[N@@H+]1CCOC ZINC001306624288 1069317404 /nfs/dbraw/zinc/31/74/04/1069317404.db2.gz XTDLFWYRNBVCSQ-JOCHJYFZSA-N 1 0 471.646 3.586 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC001306624878 1069318424 /nfs/dbraw/zinc/31/84/24/1069318424.db2.gz MTVPQHISRMMBFO-RBBKRZOGSA-N 1 0 462.038 3.811 20 0 JHADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1nc2c(cc(F)cc2Br)s1 ZINC001311301812 1069320203 /nfs/dbraw/zinc/32/02/03/1069320203.db2.gz RWZUFIPBBQGHLE-UHFFFAOYSA-N 1 0 457.369 3.964 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCO[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306626200 1069320521 /nfs/dbraw/zinc/32/05/21/1069320521.db2.gz FIRCUUFFNXWKEJ-PWRODBHTSA-N 1 0 491.627 3.899 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCO[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306626199 1069321063 /nfs/dbraw/zinc/32/10/63/1069321063.db2.gz FIRCUUFFNXWKEJ-PCCBWWKXSA-N 1 0 491.627 3.899 20 0 JHADRO CCOC(=O)c1cn(CC)nc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001311312061 1069321823 /nfs/dbraw/zinc/32/18/23/1069321823.db2.gz KMVHWMHNTAYGFL-UHFFFAOYSA-N 1 0 455.481 3.694 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306626644 1069322055 /nfs/dbraw/zinc/32/20/55/1069322055.db2.gz JAQCNSHXUBUTPC-AJTFRIOCSA-N 1 0 487.664 3.886 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCCO2)CC[N@@H+]1CCOC ZINC001306626726 1069322915 /nfs/dbraw/zinc/32/29/15/1069322915.db2.gz KKZHYICNVBWFRF-FCHUYYIVSA-N 1 0 459.610 3.514 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC(F)(F)CO2)CC[N@@H+]1CCOC ZINC001306627480 1069324065 /nfs/dbraw/zinc/32/40/65/1069324065.db2.gz UOWYFNFPEXBMKU-VXKWHMMOSA-N 1 0 477.600 3.539 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCCC[NH+]2CCC(C)CC2)CCO1 ZINC001306627662 1069324467 /nfs/dbraw/zinc/32/44/67/1069324467.db2.gz APCHYZNSZXEBQX-HSZRJFAPSA-N 1 0 457.667 3.657 20 0 JHADRO C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001311340343 1069329363 /nfs/dbraw/zinc/32/93/63/1069329363.db2.gz GLQIFCHJXGQJDZ-HXUWFJFHSA-N 1 0 457.640 3.925 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2nc(C(C)(C)C)cs2)CC[N@@H+]1CCOC ZINC001306629792 1069329099 /nfs/dbraw/zinc/32/90/99/1069329099.db2.gz LHYFYXWOHXYFQC-RBUKOAKNSA-N 1 0 476.691 3.521 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001306630674 1069329869 /nfs/dbraw/zinc/32/98/69/1069329869.db2.gz PTTTVRLCWNPGEY-LEWJYISDSA-N 1 0 457.648 3.509 20 0 JHADRO CC1CC[NH+](Cc2cccc(CNC(=O)NCCCN3C(=O)COc4ccccc43)c2)CC1 ZINC001311341734 1069329736 /nfs/dbraw/zinc/32/97/36/1069329736.db2.gz VDPWZFOPCZVGGH-UHFFFAOYSA-N 1 0 450.583 3.533 20 0 JHADRO O=C(NC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1)OCc1ccccc1 ZINC001311342812 1069330713 /nfs/dbraw/zinc/33/07/13/1069330713.db2.gz FBHWSRUMSRFCQK-QFIPXVFZSA-N 1 0 454.571 3.907 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001306631174 1069330981 /nfs/dbraw/zinc/33/09/81/1069330981.db2.gz RFLJRFWZMJZWBJ-HSZRJFAPSA-N 1 0 485.673 3.715 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CCO1 ZINC001306632080 1069332813 /nfs/dbraw/zinc/33/28/13/1069332813.db2.gz JMEMUWYIICCSGD-ILBGXUMGSA-N 1 0 484.689 3.505 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC2CCC(F)(F)CC2)CC[N@@H+]1CCOC ZINC001306632463 1069334559 /nfs/dbraw/zinc/33/45/59/1069334559.db2.gz YMJJNORVJQEVDR-WOJBJXKFSA-N 1 0 455.594 3.545 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@@H](OC)C(C)(C)C)CCO1 ZINC001306632361 1069333874 /nfs/dbraw/zinc/33/38/74/1069333874.db2.gz XZYJQUYPDDUXEV-JWQCQUIFSA-N 1 0 498.716 3.709 20 0 JHADRO CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)CC1 ZINC001311347539 1069334421 /nfs/dbraw/zinc/33/44/21/1069334421.db2.gz FWUKHPLTUSUCGY-DEOSSOPVSA-N 1 0 458.647 3.509 20 0 JHADRO COc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)[NH+](C)C)cc1OC ZINC001311349029 1069335814 /nfs/dbraw/zinc/33/58/14/1069335814.db2.gz LGGYJFFGMLTXEU-KKSFZXQISA-N 1 0 455.534 3.692 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@@H+]2CC)CCO1 ZINC001306633931 1069337527 /nfs/dbraw/zinc/33/75/27/1069337527.db2.gz DDJBKLIJNUQJQF-JSXRDJHFSA-N 1 0 476.666 3.538 20 0 JHADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC001311352064 1069338084 /nfs/dbraw/zinc/33/80/84/1069338084.db2.gz SUGFFICQIAXQII-HSZRJFAPSA-N 1 0 458.628 3.644 20 0 JHADRO CCCCCC(=O)NC1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306634864 1069340897 /nfs/dbraw/zinc/34/08/97/1069340897.db2.gz PELRRRAYDRVBNL-NRFANRHFSA-N 1 0 467.662 3.737 20 0 JHADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(-c4cccc(OC)c4)cc3)cn2)CC1 ZINC001311355390 1069339502 /nfs/dbraw/zinc/33/95/02/1069339502.db2.gz BZYDSXQTJMBKSQ-UHFFFAOYSA-N 1 0 459.594 3.899 20 0 JHADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001311356394 1069340423 /nfs/dbraw/zinc/34/04/23/1069340423.db2.gz UKCLVMKTMRIABJ-LVXARBLLSA-N 1 0 474.646 3.996 20 0 JHADRO Cc1ccc(C(=O)NCCNC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1F ZINC001311357963 1069342328 /nfs/dbraw/zinc/34/23/28/1069342328.db2.gz CHUOJNQHWASANR-KDURUIRLSA-N 1 0 454.590 3.841 20 0 JHADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)C1 ZINC001311359670 1069343581 /nfs/dbraw/zinc/34/35/81/1069343581.db2.gz PXRLDLYDOGHDMG-BKSPAHHJSA-N 1 0 450.627 3.663 20 0 JHADRO CN1CC[NH+](CC2CCN(C(=O)NCc3ccccc3COCc3ccccc3)CC2)CC1 ZINC001311360740 1069344525 /nfs/dbraw/zinc/34/45/25/1069344525.db2.gz OHRKWFHGBXALEF-UHFFFAOYSA-N 1 0 450.627 3.572 20 0 JHADRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC001311361725 1069345289 /nfs/dbraw/zinc/34/52/89/1069345289.db2.gz WEQGOHVYLWNRMF-UEXGIBASSA-N 1 0 455.018 3.613 20 0 JHADRO CC(C)(C)OC(=O)N[C@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[C@@H]1C(F)(F)F ZINC001311367982 1069347264 /nfs/dbraw/zinc/34/72/64/1069347264.db2.gz JXCYGXFAUDQLLC-GJZGRUSLSA-N 1 0 450.546 3.783 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NC[C@@]3(C)OCCc4sccc43)CC2)c1 ZINC001311379600 1069353421 /nfs/dbraw/zinc/35/34/21/1069353421.db2.gz DIYYHCFCRCJQPF-RUZDIDTESA-N 1 0 456.656 3.746 20 0 JHADRO CC1(C)CCC[C@]1(O)CNC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001311378546 1069352374 /nfs/dbraw/zinc/35/23/74/1069352374.db2.gz NOMDOXRRRQTTJZ-MHZLTWQESA-N 1 0 450.627 3.749 20 0 JHADRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)C2)cc1 ZINC001311388518 1069356886 /nfs/dbraw/zinc/35/68/86/1069356886.db2.gz DNMBYFNUXGPPFS-URXFXBBRSA-N 1 0 457.018 3.595 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)Cc1ccccc1 ZINC001311391350 1069358485 /nfs/dbraw/zinc/35/84/85/1069358485.db2.gz FLQMEMQRXPSTRD-LOSJGSFVSA-N 1 0 450.627 3.934 20 0 JHADRO CCCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001306647145 1069358810 /nfs/dbraw/zinc/35/88/10/1069358810.db2.gz ASMAOZYRTGOGLP-UHFFFAOYSA-N 1 0 465.646 3.940 20 0 JHADRO CCCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001306647594 1069359261 /nfs/dbraw/zinc/35/92/61/1069359261.db2.gz NSFDAZHAYNMOEI-UHFFFAOYSA-N 1 0 451.619 3.693 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1)c1ccsc1 ZINC001311398818 1069361814 /nfs/dbraw/zinc/36/18/14/1069361814.db2.gz JZZHKFYDZOBGMZ-QUCCMNQESA-N 1 0 452.418 3.807 20 0 JHADRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(-c3nnc(CNC(=O)OC(C)(C)C)[nH]3)cc2)cc1 ZINC001306651931 1069363150 /nfs/dbraw/zinc/36/31/50/1069363150.db2.gz NXRBIGSSFORLPH-UHFFFAOYSA-N 1 0 450.543 3.810 20 0 JHADRO CN1CC[N@H+](CCCNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)[C@@H](c2ccccc2)C1 ZINC001311422771 1069370863 /nfs/dbraw/zinc/37/08/63/1069370863.db2.gz JPVSXOMTENVNCA-DNVJHFABSA-N 1 0 456.656 3.724 20 0 JHADRO Cc1cc(CNC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)ccc1Br ZINC001311424304 1069372399 /nfs/dbraw/zinc/37/23/99/1069372399.db2.gz PFVPLKFEQSZQFJ-UHFFFAOYSA-N 1 0 459.432 3.765 20 0 JHADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001311429892 1069375830 /nfs/dbraw/zinc/37/58/30/1069375830.db2.gz DYPHQJPANDDCIR-YKSBVNFPSA-N 1 0 457.640 3.991 20 0 JHADRO CCCCCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCCCCC2)CC1 ZINC001306659117 1069376123 /nfs/dbraw/zinc/37/61/23/1069376123.db2.gz CIUYEZJDKWQGSO-QHCPKHFHSA-N 1 0 474.694 3.571 20 0 JHADRO C[NH+](C)C1(CNC(=O)N2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)CCCCCC1 ZINC001311435130 1069378267 /nfs/dbraw/zinc/37/82/67/1069378267.db2.gz WKQVMNREFLPTNK-UHFFFAOYSA-N 1 0 458.582 3.889 20 0 JHADRO C[NH+](C)Cc1cccc(CNC(=O)NCc2c(Br)cncc2Br)c1 ZINC001311443929 1069382979 /nfs/dbraw/zinc/38/29/79/1069382979.db2.gz IAZAFORUGXUTLZ-UHFFFAOYSA-N 1 0 456.182 3.668 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[NH+](C)C)CC1 ZINC001306664579 1069389501 /nfs/dbraw/zinc/38/95/01/1069389501.db2.gz JWJBXKQVEBLGNP-NRFANRHFSA-N 1 0 454.663 3.602 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001306665588 1069392251 /nfs/dbraw/zinc/39/22/51/1069392251.db2.gz OCVUQUQDYIODNE-RPBOFIJWSA-N 1 0 496.700 3.868 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(OC)c1 ZINC001311470597 1069393972 /nfs/dbraw/zinc/39/39/72/1069393972.db2.gz REYLDUBFNCDHQD-FGZHOGPDSA-N 1 0 458.990 3.836 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001306666693 1069395166 /nfs/dbraw/zinc/39/51/66/1069395166.db2.gz ZRJJSHVRFVJGCJ-PKTZIBPZSA-N 1 0 474.694 3.521 20 0 JHADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)C1 ZINC001306668772 1069396000 /nfs/dbraw/zinc/39/60/00/1069396000.db2.gz NMQZNLHNUPQZTE-SJORKVTESA-N 1 0 453.967 3.883 20 0 JHADRO CCCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001306669811 1069396780 /nfs/dbraw/zinc/39/67/80/1069396780.db2.gz SPYPUAXTSJAEPV-FQEVSTJZSA-N 1 0 461.676 3.953 20 0 JHADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC001311492918 1069403554 /nfs/dbraw/zinc/40/35/54/1069403554.db2.gz GUVRAIUQBPGFQH-INIZCTEOSA-N 1 0 450.509 3.781 20 0 JHADRO CCCCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001306675748 1069400464 /nfs/dbraw/zinc/40/04/64/1069400464.db2.gz LTTSYKOWSBDRSZ-UHFFFAOYSA-N 1 0 483.611 3.969 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnn(C)c2)CC1 ZINC001306679676 1069405040 /nfs/dbraw/zinc/40/50/40/1069405040.db2.gz IHWPBTGKWVJGJW-UHFFFAOYSA-N 1 0 457.026 3.724 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NCCc3cccc(C(F)(F)F)n3)cc2)C[C@@H](C)O1 ZINC001311496035 1069406410 /nfs/dbraw/zinc/40/64/10/1069406410.db2.gz LXTIMSNJVKXLLK-IAGOWNOFSA-N 1 0 450.505 3.752 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@@H]1CC ZINC001306681402 1069410446 /nfs/dbraw/zinc/41/04/46/1069410446.db2.gz LUMXYGRVFAMFLP-ICSRJNTNSA-N 1 0 475.707 3.903 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H](C)CC)nnc1N1CCN(c2ncnc3ccsc32)CC1 ZINC001306681531 1069410530 /nfs/dbraw/zinc/41/05/30/1069410530.db2.gz MVPPVWYKZSMWDU-SFHVURJKSA-N 1 0 456.664 3.855 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001306680899 1069409307 /nfs/dbraw/zinc/40/93/07/1069409307.db2.gz QISMPWWOISJQLJ-UHFFFAOYSA-N 1 0 467.724 3.881 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(C)o3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001306681324 1069410031 /nfs/dbraw/zinc/41/00/31/1069410031.db2.gz WTPQHIRZRXFEAF-UHFFFAOYSA-N 1 0 477.675 3.620 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001306683436 1069416619 /nfs/dbraw/zinc/41/66/19/1069416619.db2.gz UDNMZIHOXZDUIZ-OAQYLSRUSA-N 1 0 479.629 3.940 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001306683299 1069416673 /nfs/dbraw/zinc/41/66/73/1069416673.db2.gz WNZGTOWNNOFRJJ-GOSISDBHSA-N 1 0 491.478 3.805 20 0 JHADRO CN(C(=O)NCc1ccnc(OC2CCCC2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001311509389 1069415159 /nfs/dbraw/zinc/41/51/59/1069415159.db2.gz VACUDMMHFBOTFM-RPWUZVMVSA-N 1 0 457.663 3.882 20 0 JHADRO CN(C(=O)NCc1ccnc(OC2CCCC2)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001311509387 1069415234 /nfs/dbraw/zinc/41/52/34/1069415234.db2.gz VACUDMMHFBOTFM-BJKOFHAPSA-N 1 0 457.663 3.882 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001306682881 1069415220 /nfs/dbraw/zinc/41/52/20/1069415220.db2.gz PIOFRNRDHVWKFN-UHFFFAOYSA-N 1 0 470.643 3.911 20 0 JHADRO C[C@@H]1CN(C(C)(C)CNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C[C@@H](C)O1 ZINC001311510118 1069415867 /nfs/dbraw/zinc/41/58/67/1069415867.db2.gz CQSGXOGCGARULU-WOJBJXKFSA-N 1 0 453.583 3.731 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001306684579 1069419520 /nfs/dbraw/zinc/41/95/20/1069419520.db2.gz OVPRFUGERBJIIA-UHFFFAOYSA-N 1 0 479.673 3.910 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001306685048 1069420156 /nfs/dbraw/zinc/42/01/56/1069420156.db2.gz YGYUYWSLIQOECX-UHFFFAOYSA-N 1 0 465.577 3.705 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001306685275 1069420611 /nfs/dbraw/zinc/42/06/11/1069420611.db2.gz ZUDQVKWIKGRJSL-FQEVSTJZSA-N 1 0 465.646 3.851 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001306685459 1069420876 /nfs/dbraw/zinc/42/08/76/1069420876.db2.gz DZAXUSJOOBHISX-HKBOAZHASA-N 1 0 478.682 3.943 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001306686855 1069423122 /nfs/dbraw/zinc/42/31/22/1069423122.db2.gz YGMZNEIAMVTOJS-NRFANRHFSA-N 1 0 474.675 3.712 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001306687782 1069424729 /nfs/dbraw/zinc/42/47/29/1069424729.db2.gz KBFCWMRIGFEDJU-UHFFFAOYSA-N 1 0 486.711 3.995 20 0 JHADRO CCCC[N@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001306688534 1069425829 /nfs/dbraw/zinc/42/58/29/1069425829.db2.gz PRVYBAYWDRRMRM-OBTVHEKISA-N 1 0 485.673 3.979 20 0 JHADRO C[C@H]1C[NH+](CCCNC(=O)N2CCC(Oc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC001311532071 1069426438 /nfs/dbraw/zinc/42/64/38/1069426438.db2.gz BBBMEYPHHNQUMI-IRXDYDNUSA-N 1 0 454.409 3.501 20 0 JHADRO CC(C)[C@@H](CNC(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1)[NH+]1CCN(C)CC1 ZINC001311535825 1069428514 /nfs/dbraw/zinc/42/85/14/1069428514.db2.gz KFGKQAMTFPRPRA-XZOQPEGZSA-N 1 0 456.610 3.724 20 0 JHADRO C[C@H](NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)C(=O)NCCc1ccccc1 ZINC001311536894 1069428905 /nfs/dbraw/zinc/42/89/05/1069428905.db2.gz RFBVSVIKVZPPIZ-NRFANRHFSA-N 1 0 458.606 3.962 20 0 JHADRO CCCCN(CC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001306692661 1069429778 /nfs/dbraw/zinc/42/97/78/1069429778.db2.gz PHXCVVCNUYGHMT-OALUTQOASA-N 1 0 467.618 3.720 20 0 JHADRO Cc1ccc(C(=O)NCCNC(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)cc1F ZINC001311539596 1069430861 /nfs/dbraw/zinc/43/08/61/1069430861.db2.gz QOCZXBMLOPZFKH-UHFFFAOYSA-N 1 0 454.590 3.998 20 0 JHADRO CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001306701520 1069436866 /nfs/dbraw/zinc/43/68/66/1069436866.db2.gz YLFWDIYRXYEFDB-RTBURBONSA-N 1 0 492.510 3.841 20 0 JHADRO CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001306715738 1069447366 /nfs/dbraw/zinc/44/73/66/1069447366.db2.gz NZPTZBBNKPIWPW-DHIUTWEWSA-N 1 0 460.711 3.992 20 0 JHADRO COC(=O)c1ccc(F)c2c1CN(C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)CC2 ZINC001311575438 1069445752 /nfs/dbraw/zinc/44/57/52/1069445752.db2.gz WQUQDPWKMPWYPG-QFIPXVFZSA-N 1 0 455.530 3.526 20 0 JHADRO CC[NH+]1CCC(NC(=O)N[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)CC1 ZINC001311576460 1069446448 /nfs/dbraw/zinc/44/64/48/1069446448.db2.gz BGNXRWCKTKBCSJ-CPJSRVTESA-N 1 0 458.603 3.673 20 0 JHADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC001311573219 1069444423 /nfs/dbraw/zinc/44/44/23/1069444423.db2.gz USRNLCJFZFQGKN-NZQKXSOJSA-N 1 0 455.672 3.561 20 0 JHADRO COc1cccc([C@@H](CNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[NH+](C)C)c1 ZINC001311573599 1069444611 /nfs/dbraw/zinc/44/46/11/1069444611.db2.gz WIQHEAGSZMEAOY-FGZHOGPDSA-N 1 0 456.587 3.863 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001311582361 1069449509 /nfs/dbraw/zinc/44/95/09/1069449509.db2.gz AILQJSJGIOCHPN-IBGZPJMESA-N 1 0 454.681 3.827 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCS(=O)CC1 ZINC001306721740 1069458486 /nfs/dbraw/zinc/45/84/86/1069458486.db2.gz BPKHAJMQRIETII-SFHVURJKSA-N 1 0 450.052 3.822 20 0 JHADRO CC[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC001311608803 1069460850 /nfs/dbraw/zinc/46/08/50/1069460850.db2.gz WWORHOODPZPGCR-GMAHTHKFSA-N 1 0 456.631 3.512 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)C)CC1 ZINC001306723125 1069462307 /nfs/dbraw/zinc/46/23/07/1069462307.db2.gz QALMHNYOFYLEPU-NRFANRHFSA-N 1 0 483.661 3.974 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001306723314 1069462995 /nfs/dbraw/zinc/46/29/95/1069462995.db2.gz RJSHONMDASGPBP-UNMCSNQZSA-N 1 0 484.645 3.885 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001306723643 1069464132 /nfs/dbraw/zinc/46/41/32/1069464132.db2.gz UBXBNWOOBTWNQP-JOCHJYFZSA-N 1 0 476.629 3.773 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306724685 1069465793 /nfs/dbraw/zinc/46/57/93/1069465793.db2.gz ZCARKZYVXGQUPT-HKUYNNGSSA-N 1 0 483.082 3.517 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001306725975 1069467876 /nfs/dbraw/zinc/46/78/76/1069467876.db2.gz IPVWDCFSPVUAFV-NRFANRHFSA-N 1 0 458.626 3.969 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc(F)cc1 ZINC001311617127 1069468815 /nfs/dbraw/zinc/46/88/15/1069468815.db2.gz FKNYMWHEAARZEU-FXAWDEMLSA-N 1 0 454.468 3.905 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306726457 1069469384 /nfs/dbraw/zinc/46/93/84/1069469384.db2.gz MOIWQFOFSMOSRM-RPWUZVMVSA-N 1 0 488.721 3.910 20 0 JHADRO C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311619071 1069470046 /nfs/dbraw/zinc/47/00/46/1069470046.db2.gz JJQJEVQWRFDCEI-XMSQKQJNSA-N 1 0 454.546 3.627 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001306726599 1069470557 /nfs/dbraw/zinc/47/05/57/1069470557.db2.gz ABFKHZPHPCNKDV-ISKFKSNPSA-N 1 0 466.674 3.775 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001306728099 1069473736 /nfs/dbraw/zinc/47/37/36/1069473736.db2.gz SLFXIGZHBIKGGD-PMACEKPBSA-N 1 0 466.552 3.686 20 0 JHADRO C[C@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1cccc(OCc2ccccn2)c1 ZINC001311623932 1069473873 /nfs/dbraw/zinc/47/38/73/1069473873.db2.gz WFBKJOJHUCFVFJ-FQEVSTJZSA-N 1 0 452.599 3.912 20 0 JHADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC001311625319 1069474873 /nfs/dbraw/zinc/47/48/73/1069474873.db2.gz LTTRULJPBIFHFX-LJQANCHMSA-N 1 0 459.392 3.535 20 0 JHADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCCC[C@@H](C2CCOCC2)C1 ZINC001311630152 1069478775 /nfs/dbraw/zinc/47/87/75/1069478775.db2.gz MXQMIGCYPPGMHX-AREMUKBSSA-N 1 0 456.675 3.823 20 0 JHADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)NCc1sccc1Br ZINC001311633089 1069480538 /nfs/dbraw/zinc/48/05/38/1069480538.db2.gz LUUIOAQCLHEDPU-UHFFFAOYSA-N 1 0 451.434 3.912 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1C(C)(C)C ZINC001306731631 1069486963 /nfs/dbraw/zinc/48/69/63/1069486963.db2.gz SAILLXBIFULTOU-JOCHJYFZSA-N 1 0 468.694 3.964 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC)CC1 ZINC001306732366 1069489724 /nfs/dbraw/zinc/48/97/24/1069489724.db2.gz VMHNINKKBRFVTO-QFIPXVFZSA-N 1 0 484.645 3.709 20 0 JHADRO CC[N@H+](CCC1CCN(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1)CC1CC1 ZINC001311665017 1069494001 /nfs/dbraw/zinc/49/40/01/1069494001.db2.gz KGTYNTRDRMFRBC-XMMPIXPASA-N 1 0 456.631 3.848 20 0 JHADRO CC[C@@H]1CN(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001311667308 1069495586 /nfs/dbraw/zinc/49/55/86/1069495586.db2.gz SAGRVACQBIMPLP-BKMJKUGQSA-N 1 0 450.627 3.713 20 0 JHADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC001311671830 1069498004 /nfs/dbraw/zinc/49/80/04/1069498004.db2.gz GXCNFLSIRKJQDW-QHAWAJNXSA-N 1 0 450.071 3.518 20 0 JHADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001311693179 1069506659 /nfs/dbraw/zinc/50/66/59/1069506659.db2.gz FDQHDLSUTBYGET-VLCRHTCISA-N 1 0 462.610 3.950 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001306738107 1069508168 /nfs/dbraw/zinc/50/81/68/1069508168.db2.gz ZAUTYNBJDIUSRN-RBBKRZOGSA-N 1 0 469.678 3.916 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001306738327 1069509071 /nfs/dbraw/zinc/50/90/71/1069509071.db2.gz RYAUCNFQTXEGDY-UNMCSNQZSA-N 1 0 468.646 3.571 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001306738317 1069509097 /nfs/dbraw/zinc/50/90/97/1069509097.db2.gz RYAUCNFQTXEGDY-IFMALSPDSA-N 1 0 468.646 3.571 20 0 JHADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC001306739076 1069510520 /nfs/dbraw/zinc/51/05/20/1069510520.db2.gz MVVFYMILYSTJRL-UHFFFAOYSA-N 1 0 456.587 3.938 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001306740877 1069514623 /nfs/dbraw/zinc/51/46/23/1069514623.db2.gz WLCOPPWJKJWDGO-URXFXBBRSA-N 1 0 493.631 3.915 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCCCC2)C1 ZINC001306742458 1069519991 /nfs/dbraw/zinc/51/99/91/1069519991.db2.gz GOAXLLAFCCQFSS-NRFANRHFSA-N 1 0 458.676 3.549 20 0 JHADRO CCN(Cc1ccccc1)C(=O)CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001311720046 1069518897 /nfs/dbraw/zinc/51/88/97/1069518897.db2.gz KMSBGULFACGUML-UHFFFAOYSA-N 1 0 457.018 3.900 20 0 JHADRO Cc1ccc(CCNC(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)c(C)c1 ZINC001311724706 1069522201 /nfs/dbraw/zinc/52/22/01/1069522201.db2.gz RFGYYTLPGUATCQ-UHFFFAOYSA-N 1 0 450.627 3.517 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCCCCC2)CC1 ZINC001306747245 1069534263 /nfs/dbraw/zinc/53/42/63/1069534263.db2.gz ZMHMAKRHRMFWDH-QFIPXVFZSA-N 1 0 460.667 3.528 20 0 JHADRO CCOC(=O)c1csc(CC2CCN(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)n1 ZINC001311743234 1069530103 /nfs/dbraw/zinc/53/01/03/1069530103.db2.gz CAJMKZRKTJNNOH-NRFANRHFSA-N 1 0 458.628 3.895 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001306747204 1069533895 /nfs/dbraw/zinc/53/38/95/1069533895.db2.gz VINCLKOLEBLASJ-UPVQGACJSA-N 1 0 466.674 3.794 20 0 JHADRO COc1ccc(C2=NO[C@H](CNC(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC001311745584 1069531118 /nfs/dbraw/zinc/53/11/18/1069531118.db2.gz CWDXXTSJULGEPC-CTNGQTDRSA-N 1 0 454.546 3.539 20 0 JHADRO COc1ccccc1N1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1=O ZINC001311765694 1069538205 /nfs/dbraw/zinc/53/82/05/1069538205.db2.gz ODRPUKMFFHPZKC-QFIPXVFZSA-N 1 0 450.583 3.676 20 0 JHADRO CCCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2C[C@@H](C)OC)cc1OC ZINC001306747460 1069534711 /nfs/dbraw/zinc/53/47/11/1069534711.db2.gz RECZSOUCIXEPCP-SBHAEUEKSA-N 1 0 457.619 3.840 20 0 JHADRO CCN(C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311761362 1069536271 /nfs/dbraw/zinc/53/62/71/1069536271.db2.gz JVQYQCQZXWZDHL-LOSJGSFVSA-N 1 0 454.590 3.505 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C(C)C)CC1 ZINC001306748642 1069538819 /nfs/dbraw/zinc/53/88/19/1069538819.db2.gz LRDXFFKPWCYDNM-FGZHOGPDSA-N 1 0 476.710 3.670 20 0 JHADRO CCCN(C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001311761905 1069536896 /nfs/dbraw/zinc/53/68/96/1069536896.db2.gz VMPBBVNHRJETNI-XZOQPEGZSA-N 1 0 457.663 3.883 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001306749112 1069540664 /nfs/dbraw/zinc/54/06/64/1069540664.db2.gz PEABSHQBVGPXKM-VQTJNVASSA-N 1 0 474.675 3.627 20 0 JHADRO CCCCOCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001306750327 1069544662 /nfs/dbraw/zinc/54/46/62/1069544662.db2.gz CFLDJOFQJTYOIL-JOCHJYFZSA-N 1 0 489.064 3.548 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C[C@H]1c1ccc(F)cc1F ZINC001311808542 1069553732 /nfs/dbraw/zinc/55/37/32/1069553732.db2.gz DQUGDNZGUBPMBS-ZVDOUQERSA-N 1 0 461.509 3.601 20 0 JHADRO C[C@@H](NC(=O)N1CCN(c2cccc(F)c2)C[C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819217 1069559258 /nfs/dbraw/zinc/55/92/58/1069559258.db2.gz GZMILNVRGPGCCI-RBUKOAKNSA-N 1 0 457.569 3.698 20 0 JHADRO C[C@@H](NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1noc(-c2ccccc2)n1 ZINC001311819011 1069558619 /nfs/dbraw/zinc/55/86/19/1069558619.db2.gz CHQMNOMPFCAXMN-IAGOWNOFSA-N 1 0 452.534 3.749 20 0 JHADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001311827544 1069564920 /nfs/dbraw/zinc/56/49/20/1069564920.db2.gz RGAKJCUDEZDHEP-GOSISDBHSA-N 1 0 451.409 3.792 20 0 JHADRO C[C@@H]1[C@H](NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001311829775 1069566909 /nfs/dbraw/zinc/56/69/09/1069566909.db2.gz NLVYCOCKQWLYGL-CTUHWIOQSA-N 1 0 457.018 3.676 20 0 JHADRO CCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306765771 1069567305 /nfs/dbraw/zinc/56/73/05/1069567305.db2.gz SXPYBZYIVOPNCY-AVRWGWEMSA-N 1 0 451.619 3.549 20 0 JHADRO CCCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001306768125 1069568638 /nfs/dbraw/zinc/56/86/38/1069568638.db2.gz RPDOYBVPBBLLIY-YMPZKCBVSA-N 1 0 477.694 3.703 20 0 JHADRO CCCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[NH+]1CCN(CC)CC1 ZINC001306770122 1069569576 /nfs/dbraw/zinc/56/95/76/1069569576.db2.gz YQVCKWHXORGFCR-UHFFFAOYSA-N 1 0 467.431 3.721 20 0 JHADRO CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001306774110 1069571442 /nfs/dbraw/zinc/57/14/42/1069571442.db2.gz FLGLNBHFVZRRNX-OAQYLSRUSA-N 1 0 472.634 3.543 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCC(=O)N(C)C)C1 ZINC001306778987 1069574828 /nfs/dbraw/zinc/57/48/28/1069574828.db2.gz CMJMLZITEIUCFJ-GOSISDBHSA-N 1 0 491.478 3.744 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@](C)(O)CC)C1 ZINC001306779303 1069575518 /nfs/dbraw/zinc/57/55/18/1069575518.db2.gz FOOPOUBDRMXYCM-CLOONOSVSA-N 1 0 451.619 3.664 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)c2ccco2)C1 ZINC001306779887 1069576170 /nfs/dbraw/zinc/57/61/70/1069576170.db2.gz JSYWFXOMFJWKET-AOMKIAJQSA-N 1 0 491.434 3.705 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)C1 ZINC001306780364 1069577402 /nfs/dbraw/zinc/57/74/02/1069577402.db2.gz MZKHOPKQLSXVGW-RTWAWAEBSA-N 1 0 460.692 3.705 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC(F)(F)F)C1 ZINC001306780682 1069577920 /nfs/dbraw/zinc/57/79/20/1069577920.db2.gz DTKUBAKINQWIRE-IBGZPJMESA-N 1 0 494.610 3.963 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCOC2)C1 ZINC001306782921 1069581890 /nfs/dbraw/zinc/58/18/90/1069581890.db2.gz LOIOTAVPQVJUSG-FCHUYYIVSA-N 1 0 468.646 3.742 20 0 JHADRO CCC[NH+](CCC)CCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001311857272 1069582795 /nfs/dbraw/zinc/58/27/95/1069582795.db2.gz FANRNEWARSXGMZ-HXUWFJFHSA-N 1 0 454.656 3.604 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001306783628 1069582971 /nfs/dbraw/zinc/58/29/71/1069582971.db2.gz MRWBZBTUAZASHM-QYZOEREBSA-N 1 0 472.600 3.953 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2C(F)(F)F)C1 ZINC001306781306 1069579525 /nfs/dbraw/zinc/57/95/25/1069579525.db2.gz FLIBISRKCAHCRX-LJQANCHMSA-N 1 0 492.590 3.944 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](OC)C(C)(C)C)C1 ZINC001306781720 1069580030 /nfs/dbraw/zinc/58/00/30/1069580030.db2.gz BSWUTCOUSILGTO-AVRDEDQJSA-N 1 0 457.619 3.903 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)C1 ZINC001306782686 1069581049 /nfs/dbraw/zinc/58/10/49/1069581049.db2.gz FRXUCTOHAOXQHM-SFHVURJKSA-N 1 0 461.054 3.929 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)OC)C1 ZINC001306782644 1069581134 /nfs/dbraw/zinc/58/11/34/1069581134.db2.gz DSXRDOLAHCAYGW-SJORKVTESA-N 1 0 450.425 3.911 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCNC(=O)c2cccs2)C1 ZINC001306784888 1069586215 /nfs/dbraw/zinc/58/62/15/1069586215.db2.gz OPTIKGIFCFHNGE-HXUWFJFHSA-N 1 0 466.655 3.913 20 0 JHADRO 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CCO[C@]1(c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2Cc2ccccc2C[NH+](CC)CC)CCOC1 ZINC001314146710 1069601203 /nfs/dbraw/zinc/60/12/03/1069601203.db2.gz VXSFTSMXKFEBJQ-RZTXVSJASA-N 1 0 459.610 3.615 20 0 JHADRO C[C@H](CNC(=O)N1CCC[C@]1(C)Cc1ccc(I)cc1)[N@H+](C)C1CC1 ZINC001311897624 1069604130 /nfs/dbraw/zinc/60/41/30/1069604130.db2.gz AFWDRKFDNLFYOR-FOIQADDNSA-N 1 0 455.384 3.881 20 0 JHADRO CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001306798307 1069604298 /nfs/dbraw/zinc/60/42/98/1069604298.db2.gz SNSOSEVZQVILRW-OAQYLSRUSA-N 1 0 493.027 3.616 20 0 JHADRO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)o1 ZINC001311903313 1069606628 /nfs/dbraw/zinc/60/66/28/1069606628.db2.gz WASXCXYIIGLYDD-IRLDBZIGSA-N 1 0 454.619 3.717 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001306802102 1069608133 /nfs/dbraw/zinc/60/81/33/1069608133.db2.gz FWISTKGLBROLIZ-LJQANCHMSA-N 1 0 461.676 3.953 20 0 JHADRO CCC[N@H+](CC)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001306802128 1069608246 /nfs/dbraw/zinc/60/82/46/1069608246.db2.gz GRKHBMXANIYHAJ-CYFREDJKSA-N 1 0 462.038 3.638 20 0 JHADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)NCC1([NH+]2CCCC2)CCOCC1 ZINC001311907470 1069608320 /nfs/dbraw/zinc/60/83/20/1069608320.db2.gz RKFOYCGZHUSXRT-UHFFFAOYSA-N 1 0 450.794 3.970 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C)(COC)CC1 ZINC001306802584 1069609593 /nfs/dbraw/zinc/60/95/93/1069609593.db2.gz NKLMLZBJTLFBII-JOCHJYFZSA-N 1 0 457.619 3.775 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(C)c1 ZINC001306803610 1069612114 /nfs/dbraw/zinc/61/21/14/1069612114.db2.gz ZIUWMWYZDDGSPI-UHFFFAOYSA-N 1 0 466.453 3.871 20 0 JHADRO CCCn1nc(-c2nnc(N3CCSC[C@H]3C)n2CC[N@H+](CC)CCC)c2ccccc2c1=O ZINC001306803455 1069612313 /nfs/dbraw/zinc/61/23/13/1069612313.db2.gz BCCAWECYBYKVHF-LJQANCHMSA-N 1 0 483.686 3.739 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001306804330 1069613502 /nfs/dbraw/zinc/61/35/02/1069613502.db2.gz MTOLLHQMBZNCCT-HXUWFJFHSA-N 1 0 462.042 3.627 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001306804460 1069613547 /nfs/dbraw/zinc/61/35/47/1069613547.db2.gz BKCGWCHTUDHGKI-ROUUACIJSA-N 1 0 480.451 3.680 20 0 JHADRO CC[C@H](CSc1ccccc1)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC001311927346 1069616527 /nfs/dbraw/zinc/61/65/27/1069616527.db2.gz HFPCYTILBVTRBT-FGZHOGPDSA-N 1 0 454.640 3.754 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001306805522 1069616552 /nfs/dbraw/zinc/61/65/52/1069616552.db2.gz VRMFZNWUFOKDJA-UHFFFAOYSA-N 1 0 473.572 3.737 20 0 JHADRO Cc1ccc(SC[C@@H](C)NC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC001311927705 1069617300 /nfs/dbraw/zinc/61/73/00/1069617300.db2.gz LXHVBOOJRBCHFF-KNQAVFIVSA-N 1 0 454.640 3.672 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2CCOC[C@H]2C1 ZINC001306806275 1069617909 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OGZMTPVXQQYOMN-FQEVSTJZSA-N 1 0 490.008 3.608 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001306807361 1069621638 /nfs/dbraw/zinc/62/16/38/1069621638.db2.gz UCHWLLPMXXIHRW-UZUQRXQVSA-N 1 0 466.001 3.854 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001306807738 1069622904 /nfs/dbraw/zinc/62/29/04/1069622904.db2.gz ZHRGIXHVPJADSF-UHFFFAOYSA-N 1 0 470.025 3.596 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001306808173 1069624283 /nfs/dbraw/zinc/62/42/83/1069624283.db2.gz GWWUTKHTIDXDRS-VQTJNVASSA-N 1 0 478.682 3.943 20 0 JHADRO CCCN(Cc1ccc(F)cc1C)c1nnc(-c2cnccn2)n1CC1([NH+](C)C)CCOCC1 ZINC001306808895 1069625634 /nfs/dbraw/zinc/62/56/34/1069625634.db2.gz PUQRMPULDRNRLG-UHFFFAOYSA-N 1 0 467.593 3.710 20 0 JHADRO CCOc1cc(C)ccc1Cn1c([C@H](C)CC)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001314156652 1069629133 /nfs/dbraw/zinc/62/91/33/1069629133.db2.gz IVWUAWQGDAYGOO-SLSDLSHTSA-N 1 0 496.700 3.926 20 0 JHADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)CC1 ZINC001311949307 1069629184 /nfs/dbraw/zinc/62/91/84/1069629184.db2.gz HUWBPPOWRMDKCO-YLJYHZDGSA-N 1 0 459.541 3.787 20 0 JHADRO CCCN(CC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001306809857 1069629310 /nfs/dbraw/zinc/62/93/10/1069629310.db2.gz BYESLFNOQHHMSZ-OAQYLSRUSA-N 1 0 476.666 3.699 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC001311954748 1069634029 /nfs/dbraw/zinc/63/40/29/1069634029.db2.gz ZVVTYIYZFWEQOZ-LJQANCHMSA-N 1 0 451.409 3.684 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCc3ccc(Br)c(F)c3C2)[C@H](C)C1 ZINC001311962581 1069638581 /nfs/dbraw/zinc/63/85/81/1069638581.db2.gz GJASXTNHVXAOFH-BEFAXECRSA-N 1 0 456.400 3.793 20 0 JHADRO Cc1ccc([C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001311970329 1069643766 /nfs/dbraw/zinc/64/37/66/1069643766.db2.gz WDPGLLJTZSNLLN-UKKFODGLSA-N 1 0 455.624 3.721 20 0 JHADRO C[NH+](C)CC1(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CCCC1 ZINC001306823714 1069643926 /nfs/dbraw/zinc/64/39/26/1069643926.db2.gz TWEBATOBRLJELP-UHFFFAOYSA-N 1 0 450.004 3.993 20 0 JHADRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)C1 ZINC001311967219 1069641809 /nfs/dbraw/zinc/64/18/09/1069641809.db2.gz HDLGUEAMOHHOKT-RDPSFJRHSA-N 1 0 457.640 3.827 20 0 JHADRO Cc1cc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001306826341 1069646589 /nfs/dbraw/zinc/64/65/89/1069646589.db2.gz LALFKPOSSINACN-XMMPIXPASA-N 1 0 450.583 3.895 20 0 JHADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001311993597 1069656246 /nfs/dbraw/zinc/65/62/46/1069656246.db2.gz KKYFAODBFGJVNI-RTBURBONSA-N 1 0 456.509 3.590 20 0 JHADRO C[NH+](C)CC[C@H](NC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccnc1 ZINC001311990089 1069653458 /nfs/dbraw/zinc/65/34/58/1069653458.db2.gz PDFAIOSJEUNLCG-PXNSSMCTSA-N 1 0 451.493 3.551 20 0 JHADRO C[C@@H]([NH2+]C1(CNC(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)CCCC1)c1ccccc1 ZINC001311993641 1069656195 /nfs/dbraw/zinc/65/61/95/1069656195.db2.gz FTWMZWITAKSHRW-RBUKOAKNSA-N 1 0 455.628 3.663 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCC[NH+]2CCC(C)CC2)cc1OC ZINC001314163691 1069656579 /nfs/dbraw/zinc/65/65/79/1069656579.db2.gz JLONAPIQOSLAMG-OAQYLSRUSA-N 1 0 457.619 3.700 20 0 JHADRO CCC(CC)(CNC(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1)[NH2+][C@@H](C)c1ccccc1 ZINC001311994990 1069656895 /nfs/dbraw/zinc/65/68/95/1069656895.db2.gz SXCZNFNDMKZPHH-ZWKOTPCHSA-N 1 0 456.553 3.996 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1OC ZINC001314165283 1069662132 /nfs/dbraw/zinc/66/21/32/1069662132.db2.gz YGPNULXYIJJJOZ-WOJBJXKFSA-N 1 0 471.627 3.942 20 0 JHADRO Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001312003606 1069663241 /nfs/dbraw/zinc/66/32/41/1069663241.db2.gz VBSPOBFTGNIFSG-RPWUZVMVSA-N 1 0 454.590 3.693 20 0 JHADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC001312004233 1069664039 /nfs/dbraw/zinc/66/40/39/1069664039.db2.gz XESYCYUIAAZWGX-APWZRJJASA-N 1 0 456.450 3.687 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC001314167004 1069667193 /nfs/dbraw/zinc/66/71/93/1069667193.db2.gz YEXIIJXAMQGJOG-PZJWPPBQSA-N 1 0 457.619 3.842 20 0 JHADRO CCOC(=O)c1cnc(C(=O)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(Cl)c1 ZINC001306869021 1069667477 /nfs/dbraw/zinc/66/74/77/1069667477.db2.gz RPWNYPCIGVHTQU-CALCHBBNSA-N 1 0 459.974 3.793 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC(C)(OC)C3)n2CCC2CC[NH+](CC)CC2)cc1OC ZINC001314167079 1069667674 /nfs/dbraw/zinc/66/76/74/1069667674.db2.gz APUQFABBAKTRHJ-UHFFFAOYSA-N 1 0 457.619 3.700 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC(C)(OC)C3)n2CC[N@H+](C)C2CCCCC2)cc1OC ZINC001314167166 1069668226 /nfs/dbraw/zinc/66/82/26/1069668226.db2.gz DEGBWPCAZCODHD-UHFFFAOYSA-N 1 0 457.619 3.842 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CCCn2cccn2)cc1OC ZINC001314167165 1069668334 /nfs/dbraw/zinc/66/83/34/1069668334.db2.gz DDSHFIHLTXHLEZ-WOJBJXKFSA-N 1 0 467.618 3.558 20 0 JHADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312012529 1069669679 /nfs/dbraw/zinc/66/96/79/1069669679.db2.gz PSEKIRCULSVDOG-VWLOTQADSA-N 1 0 450.627 3.540 20 0 JHADRO O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001312013237 1069670263 /nfs/dbraw/zinc/67/02/63/1069670263.db2.gz SJIRINZDALOHOD-XZOQPEGZSA-N 1 0 453.562 3.958 20 0 JHADRO COc1cccc([C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c2ccccc2Cl)c1 ZINC001312015335 1069671387 /nfs/dbraw/zinc/67/13/87/1069671387.db2.gz DXCWAJRFHFTIQV-NTKDMRAZSA-N 1 0 457.018 3.906 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CC2(O)CCCCC2)cc1OC ZINC001314168644 1069673106 /nfs/dbraw/zinc/67/31/06/1069673106.db2.gz QVJHJWGYCQVMPE-PMACEKPBSA-N 1 0 471.646 3.967 20 0 JHADRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001312026760 1069681056 /nfs/dbraw/zinc/68/10/56/1069681056.db2.gz WDGGOQCQEMAGBD-GSDHBNRESA-N 1 0 450.627 3.630 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(COC)CC3)n2C[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC001314170415 1069681080 /nfs/dbraw/zinc/68/10/80/1069681080.db2.gz NOMMQNLMMAELNO-HXUWFJFHSA-N 1 0 457.619 3.557 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(CO)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC001314170612 1069681698 /nfs/dbraw/zinc/68/16/98/1069681698.db2.gz QREJDLSYPNALOM-UHFFFAOYSA-N 1 0 471.646 3.683 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H](COC)C3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1OC ZINC001314170865 1069682754 /nfs/dbraw/zinc/68/27/54/1069682754.db2.gz VYRAKIOMNZNETK-FPOVZHCZSA-N 1 0 457.619 3.700 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CC[NH+]2CCSCC2)cc1OC ZINC001314170165 1069679284 /nfs/dbraw/zinc/67/92/84/1069679284.db2.gz QPHKNFFIHZUAFQ-QZTJIDSGSA-N 1 0 477.700 3.731 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)C[C@@H]21 ZINC001312026285 1069679512 /nfs/dbraw/zinc/67/95/12/1069679512.db2.gz RYBXFBZQUJMOOC-WZYRSQIMSA-N 1 0 456.631 3.986 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@H](COC)C3)n2C[C@H]2CCCC[N@@H+]2CC)cc1OC ZINC001314170867 1069682858 /nfs/dbraw/zinc/68/28/58/1069682858.db2.gz VYRAKIOMNZNETK-PZJWPPBQSA-N 1 0 457.619 3.700 20 0 JHADRO CC(C)Cc1ccc(C(=O)C2CCN(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC2)cc1 ZINC001312038845 1069687525 /nfs/dbraw/zinc/68/75/25/1069687525.db2.gz YOJHBOAUGXVUFT-JOCHJYFZSA-N 1 0 455.643 3.990 20 0 JHADRO CC[C@H](CNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1)Cc1cccc(Br)c1 ZINC001312030557 1069684310 /nfs/dbraw/zinc/68/43/10/1069684310.db2.gz JOCHOOLGKDZKMV-SFHVURJKSA-N 1 0 453.469 3.733 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC001314171679 1069686700 /nfs/dbraw/zinc/68/67/00/1069686700.db2.gz ITWOYNIJIXBFHU-DFBJGRDBSA-N 1 0 457.619 3.842 20 0 JHADRO COCCN(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001312038413 1069686956 /nfs/dbraw/zinc/68/69/56/1069686956.db2.gz VXEQPPRSUHWZMI-QZTJIDSGSA-N 1 0 457.537 3.925 20 0 JHADRO COc1ccc(CC[C@@H]2CCCCN2C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1OC ZINC001312037509 1069687007 /nfs/dbraw/zinc/68/70/07/1069687007.db2.gz OBUITUVWXKFPOE-GGAORHGYSA-N 1 0 459.631 3.701 20 0 JHADRO CC(C)c1nsc(N(CCN2CC[NH+](C)CC2)Cc2ccc(Br)cc2F)n1 ZINC001306969843 1069691907 /nfs/dbraw/zinc/69/19/07/1069691907.db2.gz HOUPQDBUGNJDRM-UHFFFAOYSA-N 1 0 456.429 3.817 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@@H](C)C3)n2CCC[NH+]2CCN(CC)CC2)cc1OC ZINC001314173025 1069692423 /nfs/dbraw/zinc/69/24/23/1069692423.db2.gz QFUMRWGVJFMDJO-OAQYLSRUSA-N 1 0 470.662 3.616 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCCC(C)(C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1OC ZINC001314174198 1069696551 /nfs/dbraw/zinc/69/65/51/1069696551.db2.gz UIZKHAALQTUIEF-OAQYLSRUSA-N 1 0 471.646 3.826 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC[C@H](C(=O)OC)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1OC ZINC001314173602 1069694238 /nfs/dbraw/zinc/69/42/38/1069694238.db2.gz SOOUZCNCQULSCK-PMACEKPBSA-N 1 0 497.596 3.638 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001307004334 1069698950 /nfs/dbraw/zinc/69/89/50/1069698950.db2.gz BIIXMMGFNMJAKQ-HSZRJFAPSA-N 1 0 481.689 3.969 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001307004560 1069699732 /nfs/dbraw/zinc/69/97/32/1069699732.db2.gz DPEKPTNUYYGNIZ-VQTJNVASSA-N 1 0 474.053 3.753 20 0 JHADRO CCC[NH+](CCC)CCCn1c([C@H]2CCCO2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001307008670 1069705016 /nfs/dbraw/zinc/70/50/16/1069705016.db2.gz LBIGQZLUEZYNAP-OAQYLSRUSA-N 1 0 481.707 3.579 20 0 JHADRO CCCN(CCC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1CC ZINC001307008835 1069705040 /nfs/dbraw/zinc/70/50/40/1069705040.db2.gz NUZNGROVOXRDBJ-PMACEKPBSA-N 1 0 464.655 3.697 20 0 JHADRO CC[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)OC(C)(C)C)CC1)c1ccncc1 ZINC001312071608 1069705567 /nfs/dbraw/zinc/70/55/67/1069705567.db2.gz WEBUPGJMEWTFLE-BHIFYINESA-N 1 0 457.619 3.790 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CC(F)(F)F)cc1OC ZINC001314176416 1069706415 /nfs/dbraw/zinc/70/64/15/1069706415.db2.gz KLSUUYXFSGQDLX-INIZCTEOSA-N 1 0 483.535 3.604 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC001314177743 1069712477 /nfs/dbraw/zinc/71/24/77/1069712477.db2.gz AIGWBXSPSLVBSQ-FDDCHVKYSA-N 1 0 457.619 3.696 20 0 JHADRO C[NH+](C)C1(CNC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)Cc2ccccc2C1 ZINC001312083895 1069712236 /nfs/dbraw/zinc/71/22/36/1069712236.db2.gz WYMLBBKKBANGRD-UHFFFAOYSA-N 1 0 450.410 3.987 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2C[C@@H](OC)C(C)(C)C)cc1OC ZINC001314179702 1069719365 /nfs/dbraw/zinc/71/93/65/1069719365.db2.gz QHRYPRZMQASNFS-PGRDOPGGSA-N 1 0 459.635 3.944 20 0 JHADRO CCCN(CCn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001307014245 1069719994 /nfs/dbraw/zinc/71/99/94/1069719994.db2.gz TZTDCEGERMKGND-JOCHJYFZSA-N 1 0 483.661 3.586 20 0 JHADRO CCOc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001314181467 1069725234 /nfs/dbraw/zinc/72/52/34/1069725234.db2.gz JBOCEGFTLWXZCK-DENIHFKCSA-N 1 0 468.646 3.775 20 0 JHADRO CCOc1ccc(CCn2c([C@H]3CCOC3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1OCC ZINC001314182071 1069727040 /nfs/dbraw/zinc/72/70/40/1069727040.db2.gz BSBDWDSOXCHYMH-QFIPXVFZSA-N 1 0 471.646 3.743 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001314182068 1069727259 /nfs/dbraw/zinc/72/72/59/1069727259.db2.gz BPTVVARJAWLXNU-JOCHJYFZSA-N 1 0 482.654 3.914 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC(C)(COC)CC2)C1 ZINC001307030285 1069738001 /nfs/dbraw/zinc/73/80/01/1069738001.db2.gz AAVALWYBQMYMJH-HXUWFJFHSA-N 1 0 471.646 3.947 20 0 JHADRO CCOc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1OCC ZINC001314185141 1069737203 /nfs/dbraw/zinc/73/72/03/1069737203.db2.gz ZPKVAYFEJSLYII-OAQYLSRUSA-N 1 0 498.672 3.580 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H](C)OCCOC)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001307030649 1069739260 /nfs/dbraw/zinc/73/92/60/1069739260.db2.gz APYZWKUXJXWGKG-HKUYNNGSSA-N 1 0 461.573 3.903 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(OCC)cc3)nnc2N2CCO[C@H](C)C2)C1 ZINC001307031072 1069739984 /nfs/dbraw/zinc/73/99/84/1069739984.db2.gz CCABKUAEFINDMI-HKBOAZHASA-N 1 0 457.619 3.774 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(CC)cc3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001307031249 1069740482 /nfs/dbraw/zinc/74/04/82/1069740482.db2.gz IHDDMQMAXBWGTF-JOCHJYFZSA-N 1 0 452.647 3.721 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001307031585 1069741584 /nfs/dbraw/zinc/74/15/84/1069741584.db2.gz LTCRTZVVPPRPKI-HXUWFJFHSA-N 1 0 490.096 3.520 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@H](NC(=O)CC)C2)CC1 ZINC001307033204 1069747689 /nfs/dbraw/zinc/74/76/89/1069747689.db2.gz JPXACGWPPBMPNZ-QFIPXVFZSA-N 1 0 498.672 3.579 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001307032934 1069746756 /nfs/dbraw/zinc/74/67/56/1069746756.db2.gz GIIWAJGABRQRHU-UHFFFAOYSA-N 1 0 459.038 3.825 20 0 JHADRO CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC001314189271 1069747202 /nfs/dbraw/zinc/74/72/02/1069747202.db2.gz GZRCCNYMRKDQMZ-UHFFFAOYSA-N 1 0 455.647 3.862 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001314191433 1069752965 /nfs/dbraw/zinc/75/29/65/1069752965.db2.gz MRCNUNRQXSAGOO-YPAWHYETSA-N 1 0 498.672 3.604 20 0 JHADRO CCC[NH+]1CCC(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001307035206 1069752939 /nfs/dbraw/zinc/75/29/39/1069752939.db2.gz KGCVPHORUPYAGM-UHFFFAOYSA-N 1 0 468.646 3.884 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001307034852 1069752160 /nfs/dbraw/zinc/75/21/60/1069752160.db2.gz QXLFXHNOAVZMMO-QGZVFWFLSA-N 1 0 478.588 3.629 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC2CC[NH+](CC)CC2)cc1 ZINC001314191294 1069752414 /nfs/dbraw/zinc/75/24/14/1069752414.db2.gz KWEXUESOTBGSBZ-LEWJYISDSA-N 1 0 498.672 3.606 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cc(Cl)ccc2OC)C1 ZINC001307033593 1069748266 /nfs/dbraw/zinc/74/82/66/1069748266.db2.gz BTXDFGRCWZYZOP-QGZVFWFLSA-N 1 0 458.010 3.709 20 0 JHADRO C[C@@H](NC(=O)NCC1(c2cccc(Br)c2)CCCCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001312153874 1069752776 /nfs/dbraw/zinc/75/27/76/1069752776.db2.gz UDWKKSCDFXPFKR-XLIONFOSSA-N 1 0 451.453 3.585 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001307033939 1069749606 /nfs/dbraw/zinc/74/96/06/1069749606.db2.gz FYVAFDAYKIXPLZ-RTWAWAEBSA-N 1 0 483.661 3.826 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001307034325 1069750557 /nfs/dbraw/zinc/75/05/57/1069750557.db2.gz IXORTZOIUGSIGA-AWEZNQCLSA-N 1 0 468.553 3.522 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCc2nccs2)C1 ZINC001307035358 1069753437 /nfs/dbraw/zinc/75/34/37/1069753437.db2.gz SSEWNWJQLMLIGA-HNNXBMFYSA-N 1 0 478.464 3.903 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](COCC)C2)C1 ZINC001307035518 1069753488 /nfs/dbraw/zinc/75/34/88/1069753488.db2.gz VPJXUNHJRLTLRF-DLBZAZTESA-N 1 0 465.440 3.630 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CCCO)CC2)C1 ZINC001307035350 1069753782 /nfs/dbraw/zinc/75/37/82/1069753782.db2.gz SQORQZPAXBSDHI-SFHVURJKSA-N 1 0 479.467 3.757 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)c2cccs2)C1 ZINC001307035670 1069754720 /nfs/dbraw/zinc/75/47/20/1069754720.db2.gz LMQIFBWOWDAZET-MSOLQXFVSA-N 1 0 453.616 3.916 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001307037331 1069758180 /nfs/dbraw/zinc/75/81/80/1069758180.db2.gz BDMDQOXQMJIUSH-IRXDYDNUSA-N 1 0 498.981 3.835 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3C)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CC1 ZINC001307037593 1069758226 /nfs/dbraw/zinc/75/82/26/1069758226.db2.gz CNFLEOJDHNNWDI-PMACEKPBSA-N 1 0 461.676 3.633 20 0 JHADRO CCC[N@H+](CC)CCNC(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001312156469 1069755219 /nfs/dbraw/zinc/75/52/19/1069755219.db2.gz BWCMHYDJIFZUOH-OAQYLSRUSA-N 1 0 452.020 3.864 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCCC[C@H](COC)C2)C1 ZINC001307035980 1069755259 /nfs/dbraw/zinc/75/52/59/1069755259.db2.gz VXUZPZHXKMRGEI-RTWAWAEBSA-N 1 0 471.646 3.947 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001307036165 1069756140 /nfs/dbraw/zinc/75/61/40/1069756140.db2.gz ZPBFDOGZUHFOJD-UXHICEINSA-N 1 0 471.650 3.698 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCO[C@](C)(CC)C2)C1 ZINC001307036467 1069757019 /nfs/dbraw/zinc/75/70/19/1069757019.db2.gz ZUXRPGLWFBTCBU-AFMDSPMNSA-N 1 0 487.645 3.708 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H](C)Oc3ccc(OCC)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001307036826 1069757617 /nfs/dbraw/zinc/75/76/17/1069757617.db2.gz ZBPUEHIIYZRZIZ-RTWAWAEBSA-N 1 0 498.672 3.606 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@H](C)CC)nnc2N2CCC(C(=O)Nc3nncs3)CC2)CC1 ZINC001307036939 1069757689 /nfs/dbraw/zinc/75/76/89/1069757689.db2.gz QXYSXCVSQSIXDX-QGZVFWFLSA-N 1 0 474.679 3.620 20 0 JHADRO CCC[NH+]1CCC(Cn2c([C@@H](C)Oc3ccc(OCC)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001307036824 1069757863 /nfs/dbraw/zinc/75/78/63/1069757863.db2.gz ZBPUEHIIYZRZIZ-LEWJYISDSA-N 1 0 498.672 3.606 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001314193398 1069759661 /nfs/dbraw/zinc/75/96/61/1069759661.db2.gz KIWBYLDQNBEBEP-LGVUCKNBSA-N 1 0 498.672 3.639 20 0 JHADRO COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)NC[C@@]1([NH+](C)C)CCSC1)CC2 ZINC001312165774 1069760353 /nfs/dbraw/zinc/76/03/53/1069760353.db2.gz GFALRVWUYRHJTE-ZCYQVOJMSA-N 1 0 455.624 3.798 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001314193449 1069760796 /nfs/dbraw/zinc/76/07/96/1069760796.db2.gz KZFVGZLOWCMIGQ-LGVUCKNBSA-N 1 0 498.672 3.639 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[C@H]1c1ccc(F)cc1F ZINC001312167293 1069761334 /nfs/dbraw/zinc/76/13/34/1069761334.db2.gz WWYDNGSMXVDILL-ZVDOUQERSA-N 1 0 465.928 3.819 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3nnc(C(C)C)o3)C2)CC1 ZINC001307038530 1069761448 /nfs/dbraw/zinc/76/14/48/1069761448.db2.gz GYDCUFMVRJYMJD-HXUWFJFHSA-N 1 0 459.639 3.683 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)C)nnc2N2CCN(c3ccccc3OCC)CC2)C1 ZINC001307038788 1069762186 /nfs/dbraw/zinc/76/21/86/1069762186.db2.gz KVMRFKFXMSXLMY-JOCHJYFZSA-N 1 0 454.663 3.934 20 0 JHADRO CCNC(=O)COc1cccc(CNC(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC001312171150 1069764009 /nfs/dbraw/zinc/76/40/09/1069764009.db2.gz CMRJWBYTQNPZSF-OFNKIYASSA-N 1 0 452.599 3.569 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001307039334 1069764162 /nfs/dbraw/zinc/76/41/62/1069764162.db2.gz QMGCLWAQLZXTPE-LJQANCHMSA-N 1 0 459.038 3.683 20 0 JHADRO CCC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001307039513 1069764253 /nfs/dbraw/zinc/76/42/53/1069764253.db2.gz XDSSQRNLQVNZFE-NRFANRHFSA-N 1 0 491.627 3.899 20 0 JHADRO CC(C)[C@@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H](O)c1ccc(Cl)cc1 ZINC001312177476 1069767780 /nfs/dbraw/zinc/76/77/80/1069767780.db2.gz GACSLMHPMIZJPD-YADHBBJMSA-N 1 0 452.039 3.980 20 0 JHADRO CCC[NH+]1CCC(Cn2c(CCc3ccccc3)nnc2N2CCC(N(C)C(C)=O)CC2)CC1 ZINC001307041150 1069768434 /nfs/dbraw/zinc/76/84/34/1069768434.db2.gz GHXGSIYHEZRAAG-UHFFFAOYSA-N 1 0 466.674 3.632 20 0 JHADRO C[N@H+](CCNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)Cc1ccc(F)cc1 ZINC001312186727 1069770997 /nfs/dbraw/zinc/77/09/97/1069770997.db2.gz GGCDJUHNUZCUQE-WBVHZDCISA-N 1 0 477.216 3.795 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001314195660 1069771014 /nfs/dbraw/zinc/77/10/14/1069771014.db2.gz DXIRODGYZHEHTF-LEWJYISDSA-N 1 0 498.672 3.654 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001307042243 1069771589 /nfs/dbraw/zinc/77/15/89/1069771589.db2.gz YVNUECOBXSXCGH-QGZVFWFLSA-N 1 0 460.001 3.763 20 0 JHADRO C[N@H+](CCNC(=O)N1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1)Cc1ccc(F)cc1 ZINC001312188882 1069771954 /nfs/dbraw/zinc/77/19/54/1069771954.db2.gz WCQJTZBIAKHTGA-NRFANRHFSA-N 1 0 458.553 3.525 20 0 JHADRO CCC[NH+]1CCC(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001307042837 1069772821 /nfs/dbraw/zinc/77/28/21/1069772821.db2.gz VORDPCIIDFWMND-UHFFFAOYSA-N 1 0 465.646 3.966 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@@H](NC(=O)CC)C2)C1 ZINC001307043796 1069776033 /nfs/dbraw/zinc/77/60/33/1069776033.db2.gz BJSZWQLXCONLPF-XZOQPEGZSA-N 1 0 482.673 3.701 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC001307043990 1069776434 /nfs/dbraw/zinc/77/64/34/1069776434.db2.gz NJTNRCZGSCMFGY-YADHBBJMSA-N 1 0 490.693 3.645 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001312205099 1069779978 /nfs/dbraw/zinc/77/99/78/1069779978.db2.gz VBEJDARJXHRELP-FTJBHMTQSA-N 1 0 451.611 3.965 20 0 JHADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001312201824 1069777630 /nfs/dbraw/zinc/77/76/30/1069777630.db2.gz CCAQEBSMRVDXHR-LEWJYISDSA-N 1 0 457.537 3.857 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCS2)CC1 ZINC001307044989 1069780163 /nfs/dbraw/zinc/78/01/63/1069780163.db2.gz CPQABZMKIJDITP-FQEVSTJZSA-N 1 0 477.700 3.555 20 0 JHADRO CCc1cc(N2CCC(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)CC2)ncn1 ZINC001312211190 1069784522 /nfs/dbraw/zinc/78/45/22/1069784522.db2.gz BIQGZCATGCNPKY-QHCPKHFHSA-N 1 0 450.631 3.608 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)cc3F)n2CC2([S@](C)=O)CC2)CC1 ZINC001307045224 1069780879 /nfs/dbraw/zinc/78/08/79/1069780879.db2.gz DLEMGYHGSUPXQK-HKBQPEDESA-N 1 0 468.042 3.959 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)cc3)n2CC2(C(=O)NCC)CCC2)CC1 ZINC001307046299 1069784630 /nfs/dbraw/zinc/78/46/30/1069784630.db2.gz WOQANTQBVKDKIO-UHFFFAOYSA-N 1 0 468.646 3.571 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cccs2)CC1 ZINC001307045291 1069781585 /nfs/dbraw/zinc/78/15/85/1069781585.db2.gz HMYJNCXSSIQMBX-UHFFFAOYSA-N 1 0 488.061 3.796 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001307045240 1069781598 /nfs/dbraw/zinc/78/15/98/1069781598.db2.gz DYDZVEWXOCUKNB-UHFFFAOYSA-N 1 0 482.032 3.712 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2nc3ccsc3c(=O)[nH]2)C1 ZINC001307046422 1069785292 /nfs/dbraw/zinc/78/52/92/1069785292.db2.gz ZFHMCXJPHRSFLB-MRXNPFEDSA-N 1 0 457.648 3.945 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccccc3OCC)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001307046856 1069786752 /nfs/dbraw/zinc/78/67/52/1069786752.db2.gz RZAMDIQKBWIGKL-HBMCJLEFSA-N 1 0 457.619 3.601 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)C1 ZINC001307046843 1069786789 /nfs/dbraw/zinc/78/67/89/1069786789.db2.gz OQANMTARPHGNBS-GUDVDZBRSA-N 1 0 487.611 3.822 20 0 JHADRO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001312216050 1069787536 /nfs/dbraw/zinc/78/75/36/1069787536.db2.gz BSQSZVADRQWLMH-LIONHTAISA-N 1 0 454.590 3.550 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@H](N4CC[NH+](CC)CC4)C3)n2CC(F)(F)F)cc1 ZINC001314199627 1069787816 /nfs/dbraw/zinc/78/78/16/1069787816.db2.gz RSZXYKPXLWZGAJ-MOPGFXCFSA-N 1 0 496.578 3.595 20 0 JHADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1ccncc1OCC(F)(F)F ZINC001312217996 1069788858 /nfs/dbraw/zinc/78/88/58/1069788858.db2.gz CGXWYCXTMUGJSZ-IAGOWNOFSA-N 1 0 450.505 3.979 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001314200413 1069789248 /nfs/dbraw/zinc/78/92/48/1069789248.db2.gz RTKITPSXKIEJQR-TXTKFYIRSA-N 1 0 498.672 3.604 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2C[C@H](COC)O[C@@H](C)C2)C1 ZINC001307047697 1069790681 /nfs/dbraw/zinc/79/06/81/1069790681.db2.gz YPYBSOHSRGGXKT-FDFHNCONSA-N 1 0 473.687 3.851 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3OC)n2Cc2c(C)nn(C)c2C)CC1 ZINC001307047846 1069792090 /nfs/dbraw/zinc/79/20/90/1069792090.db2.gz BVCYXSACNMHCHH-UHFFFAOYSA-N 1 0 465.646 3.587 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3)CCC2)CC1 ZINC001307048474 1069793903 /nfs/dbraw/zinc/79/39/03/1069793903.db2.gz CEQGMBHEYWDQDX-UHFFFAOYSA-N 1 0 452.647 3.849 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)cc3OC)n2Cc2c(C)nn(C)c2C)CC1 ZINC001307050001 1069798714 /nfs/dbraw/zinc/79/87/14/1069798714.db2.gz QEADDMJRBBQOCV-UHFFFAOYSA-N 1 0 481.645 3.672 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001314201964 1069799174 /nfs/dbraw/zinc/79/91/74/1069799174.db2.gz XEXSXIZAEHWAGU-SFTDATJTSA-N 1 0 498.672 3.748 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001307050189 1069799417 /nfs/dbraw/zinc/79/94/17/1069799417.db2.gz APPNAEUWZLVNMK-JOCHJYFZSA-N 1 0 468.646 3.770 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccn3)n2Cc2csc([C@H](C)OC)n2)CC1 ZINC001307050055 1069799484 /nfs/dbraw/zinc/79/94/84/1069799484.db2.gz RAMUCTWPFORBAL-KRWDZBQOSA-N 1 0 455.632 3.863 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCCCC2)cc1 ZINC001314202183 1069799521 /nfs/dbraw/zinc/79/95/21/1069799521.db2.gz TZGIMCACMSLMOG-QHAWAJNXSA-N 1 0 457.619 3.916 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3Br)n2CCCC(=O)N(C)C)CC1 ZINC001307048884 1069795334 /nfs/dbraw/zinc/79/53/34/1069795334.db2.gz AQUXBBLQYOHVMR-UHFFFAOYSA-N 1 0 491.478 3.887 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(C)C)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 ZINC001307048875 1069795588 /nfs/dbraw/zinc/79/55/88/1069795588.db2.gz HRNVJPKUKCWZQX-UHFFFAOYSA-N 1 0 450.635 3.958 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc4ccccc4n3)n2CC(C)(C)C(=O)NCC)CC1 ZINC001307049070 1069795987 /nfs/dbraw/zinc/79/59/87/1069795987.db2.gz FBDAKKOJJIEKAE-UHFFFAOYSA-N 1 0 477.657 3.966 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)c(Cl)c2)CC1 ZINC001307049319 1069796710 /nfs/dbraw/zinc/79/67/10/1069796710.db2.gz JJCOQWJKHRGNAI-VWLOTQADSA-N 1 0 492.064 3.951 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2CCCc2cccc(C)n2)CC1 ZINC001307049707 1069798226 /nfs/dbraw/zinc/79/82/26/1069798226.db2.gz PWCWBAXFZMWERW-UHFFFAOYSA-N 1 0 476.629 3.572 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(SC)CC2)CC1 ZINC001307050609 1069800741 /nfs/dbraw/zinc/80/07/41/1069800741.db2.gz SHKNXUSAFHVSAI-HSZRJFAPSA-N 1 0 451.681 3.525 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2C[C@@](C)(O)CCC)CC1 ZINC001307051514 1069804336 /nfs/dbraw/zinc/80/43/36/1069804336.db2.gz HVLBIKJJESJZQF-MHZLTWQESA-N 1 0 495.672 3.537 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3noc4c3COCC4)n2CCCC(F)(F)F)CC1 ZINC001307051519 1069804434 /nfs/dbraw/zinc/80/44/34/1069804434.db2.gz IBUYMTQEPURQDS-UHFFFAOYSA-N 1 0 456.513 3.659 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001314202557 1069802152 /nfs/dbraw/zinc/80/21/52/1069802152.db2.gz MRQPJXOSOKWUET-UXHICEINSA-N 1 0 457.619 3.916 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001314202559 1069802858 /nfs/dbraw/zinc/80/28/58/1069802858.db2.gz MRQPJXOSOKWUET-VQTJNVASSA-N 1 0 457.619 3.916 20 0 JHADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001314202642 1069803096 /nfs/dbraw/zinc/80/30/96/1069803096.db2.gz XZXZLHNZTCBXJU-RTWAWAEBSA-N 1 0 457.619 3.775 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001307051293 1069803440 /nfs/dbraw/zinc/80/34/40/1069803440.db2.gz ZRHIFKYLBFXNCZ-AOMKIAJQSA-N 1 0 479.467 3.897 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)OCC)CC1 ZINC001307051400 1069803723 /nfs/dbraw/zinc/80/37/23/1069803723.db2.gz HMOWAMKXGUBSME-UHFFFAOYSA-N 1 0 467.618 3.720 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](C)COC)CC1 ZINC001307050350 1069800297 /nfs/dbraw/zinc/80/02/97/1069800297.db2.gz QXTBHUAVAXCGSI-IBGZPJMESA-N 1 0 451.619 3.928 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2=CCCOC2)CC1 ZINC001307051692 1069805005 /nfs/dbraw/zinc/80/50/05/1069805005.db2.gz SDMXOKKZHRTDCZ-OYRHEFFESA-N 1 0 488.677 3.706 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(COCC)n2Cc2c(F)cccc2N2CCCC2)CC1 ZINC001307052060 1069806653 /nfs/dbraw/zinc/80/66/53/1069806653.db2.gz XAQOQFHBAFOJOJ-UHFFFAOYSA-N 1 0 458.626 3.913 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)[C@H](C)CC)CC1 ZINC001307052891 1069810050 /nfs/dbraw/zinc/81/00/50/1069810050.db2.gz IRDRFUDRAFQCDU-IBVKSMDESA-N 1 0 467.662 3.624 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001307052926 1069810082 /nfs/dbraw/zinc/81/00/82/1069810082.db2.gz ADODPRDORNCMQV-ROUUACIJSA-N 1 0 489.462 3.639 20 0 JHADRO C[C@@H]1C[C@H](NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312254870 1069813465 /nfs/dbraw/zinc/81/34/65/1069813465.db2.gz UTNLSUMSCZDROV-UTKZUKDTSA-N 1 0 455.990 3.758 20 0 JHADRO CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)C2)nc1C ZINC001312256355 1069814364 /nfs/dbraw/zinc/81/43/64/1069814364.db2.gz VJRBBWOBCPUZPU-PWIZWCRZSA-N 1 0 456.612 3.790 20 0 JHADRO CCOc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[N@H+](CCOC)[C@@H](CC)C2)c1 ZINC001314205336 1069814457 /nfs/dbraw/zinc/81/44/57/1069814457.db2.gz DYBFBXGAFOYHCJ-GMAHTHKFSA-N 1 0 457.619 3.514 20 0 JHADRO CCOc1cccc(CCn2c(N3CC[NH+](C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001314205953 1069816985 /nfs/dbraw/zinc/81/69/85/1069816985.db2.gz DVCUEZOAGJAOJR-HHHXNRCGSA-N 1 0 485.673 3.881 20 0 JHADRO O=C(NCCc1csc(-c2ccccc2)n1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001312264066 1069822152 /nfs/dbraw/zinc/82/21/52/1069822152.db2.gz BWXKVTNUULSMPS-JTHBVZDNSA-N 1 0 450.608 3.535 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](COC)C1 ZINC001307055970 1069824156 /nfs/dbraw/zinc/82/41/56/1069824156.db2.gz RUTFHEGNUZFORM-OALUTQOASA-N 1 0 492.462 3.824 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(NC(C)=O)CC1 ZINC001307056601 1069828488 /nfs/dbraw/zinc/82/84/88/1069828488.db2.gz USWRLJGFEVKJHA-DENIHFKCSA-N 1 0 486.636 3.927 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3COc4ccccc4O3)n2C[C@](C)(O)C(C)C)CC1 ZINC001307056168 1069826268 /nfs/dbraw/zinc/82/62/68/1069826268.db2.gz PDYYNINCQULMIM-RDGATRHJSA-N 1 0 457.619 3.508 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001307056264 1069826655 /nfs/dbraw/zinc/82/66/55/1069826655.db2.gz RUAADEIFRBVHQA-NRFANRHFSA-N 1 0 455.647 3.758 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001307056673 1069830139 /nfs/dbraw/zinc/83/01/39/1069830139.db2.gz WBJQCZQCHPRDCT-NRFANRHFSA-N 1 0 459.708 3.927 20 0 JHADRO CN(C(=O)NCc1cc2c(cc1OC(F)F)OCO2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001312282723 1069835966 /nfs/dbraw/zinc/83/59/66/1069835966.db2.gz GQXIMLWUHJGPKV-UHFFFAOYSA-N 1 0 453.408 3.575 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)ccc1F ZINC001307058487 1069839741 /nfs/dbraw/zinc/83/97/41/1069839741.db2.gz NTQWRYUNUOFMEX-PZJWPPBQSA-N 1 0 477.650 3.529 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001307058525 1069840345 /nfs/dbraw/zinc/84/03/45/1069840345.db2.gz KXFVIFDJRHLKTE-OAQYLSRUSA-N 1 0 479.595 3.603 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001307058929 1069842146 /nfs/dbraw/zinc/84/21/46/1069842146.db2.gz OWXWXDVURSKBGY-LJQANCHMSA-N 1 0 470.609 3.879 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001307059177 1069842933 /nfs/dbraw/zinc/84/29/33/1069842933.db2.gz RCRYARCSEOKYDR-DNQXCXABSA-N 1 0 482.673 3.843 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1 ZINC001307059254 1069843137 /nfs/dbraw/zinc/84/31/37/1069843137.db2.gz VECOYWRWGUIQQJ-LEWJYISDSA-N 1 0 474.650 3.617 20 0 JHADRO CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001314214221 1069843220 /nfs/dbraw/zinc/84/32/20/1069843220.db2.gz STXXXCGGJHMDNF-GMAHTHKFSA-N 1 0 454.663 3.843 20 0 JHADRO CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001314214400 1069843693 /nfs/dbraw/zinc/84/36/93/1069843693.db2.gz XDEFLEWLXKMTAH-UHFFFAOYSA-N 1 0 482.673 3.956 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC=C(Br)C1 ZINC001307059428 1069844136 /nfs/dbraw/zinc/84/41/36/1069844136.db2.gz WREVTLJWPULRHW-MJGOQNOKSA-N 1 0 452.441 3.926 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001307059705 1069845273 /nfs/dbraw/zinc/84/52/73/1069845273.db2.gz ZBZDSGWFMONBFH-FPOVZHCZSA-N 1 0 490.718 3.976 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC001312303804 1069848866 /nfs/dbraw/zinc/84/88/66/1069848866.db2.gz MCALVOSBPHUWMA-XUVXKRRUSA-N 1 0 450.421 3.870 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC001312305525 1069849304 /nfs/dbraw/zinc/84/93/04/1069849304.db2.gz PQKGWZRIQDTRJI-ONGXBYRLSA-N 1 0 453.480 3.740 20 0 JHADRO C[N@@H+]1CC[C@H](NC(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC001312305516 1069849661 /nfs/dbraw/zinc/84/96/61/1069849661.db2.gz PQKGWZRIQDTRJI-GQWLDOHISA-N 1 0 453.480 3.740 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1=O ZINC001307060579 1069849750 /nfs/dbraw/zinc/84/97/50/1069849750.db2.gz AAZYFXLTQMGOMJ-GOSISDBHSA-N 1 0 489.462 3.641 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001307061362 1069852570 /nfs/dbraw/zinc/85/25/70/1069852570.db2.gz GAGHABVZALIJGS-IBGZPJMESA-N 1 0 464.536 3.952 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC[N@@H+]1CCC[C@H]1C ZINC001314217490 1069854364 /nfs/dbraw/zinc/85/43/64/1069854364.db2.gz JTNCSDGWXSQJIT-UXHICEINSA-N 1 0 457.619 3.744 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001307061680 1069855369 /nfs/dbraw/zinc/85/53/69/1069855369.db2.gz HJJOKMZOWACRPU-RTWAWAEBSA-N 1 0 485.677 3.899 20 0 JHADRO CCCN1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCC[N@@H+]2CC)CC1=O ZINC001307061970 1069856740 /nfs/dbraw/zinc/85/67/40/1069856740.db2.gz RZTLBEWUWKWLLN-GOTSBHOMSA-N 1 0 482.673 3.968 20 0 JHADRO CCCN1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](CC(C)C)[NH+](C)C)CC1=O ZINC001307062169 1069858027 /nfs/dbraw/zinc/85/80/27/1069858027.db2.gz PDHZQIILPVRGPO-QHCPKHFHSA-N 1 0 497.688 3.572 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001312316316 1069859257 /nfs/dbraw/zinc/85/92/57/1069859257.db2.gz OXSGOEOCSIORGY-AOIWGVFYSA-N 1 0 458.965 3.889 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001307063090 1069861273 /nfs/dbraw/zinc/86/12/73/1069861273.db2.gz MGVHYZREJDSLRA-FXAWDEMLSA-N 1 0 463.001 3.923 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC001307063406 1069862650 /nfs/dbraw/zinc/86/26/50/1069862650.db2.gz ROQOJVFQZODIHE-XMMPIXPASA-N 1 0 492.672 3.671 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1=O ZINC001307064266 1069865906 /nfs/dbraw/zinc/86/59/06/1069865906.db2.gz AHWLYEIEBOWICH-KDYSTLNUSA-N 1 0 484.664 3.967 20 0 JHADRO CCOc1ccccc1N1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001314220260 1069866015 /nfs/dbraw/zinc/86/60/15/1069866015.db2.gz JVMIZPFIMIJCPX-NRFANRHFSA-N 1 0 465.646 3.739 20 0 JHADRO CCCN1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC001307065015 1069868841 /nfs/dbraw/zinc/86/88/41/1069868841.db2.gz DFIZOACKHOQBTR-QHCPKHFHSA-N 1 0 495.716 3.526 20 0 JHADRO CCCN1CCCN(c2nnc(-c3cccnc3)n2Cc2ccccc2C[NH+](CC)CC)CC1=O ZINC001307065254 1069870284 /nfs/dbraw/zinc/87/02/84/1069870284.db2.gz BSDSUKPWQBUZBL-UHFFFAOYSA-N 1 0 475.641 3.679 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCSC[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001307069347 1069881331 /nfs/dbraw/zinc/88/13/31/1069881331.db2.gz SNIXZEZFEAHKNI-MIZPHKNDSA-N 1 0 451.681 3.525 20 0 JHADRO 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COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](c1ccccc1C)[C@@H]1CCC[C@H](C)C1 ZINC001307634087 1070092919 /nfs/dbraw/zinc/09/29/19/1070092919.db2.gz ZGLRYAHCWYKHEW-GXYVPTEVSA-N 1 0 459.612 3.747 20 0 JHADRO Cc1cccc([C@@H](C)[NH2+]CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1C ZINC001307638163 1070094222 /nfs/dbraw/zinc/09/42/22/1070094222.db2.gz XTZORLGSNSDSDP-OJSPLJLUSA-N 1 0 455.555 3.946 20 0 JHADRO CCOCc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314308470 1070095881 /nfs/dbraw/zinc/09/58/81/1070095881.db2.gz FRWYYPCIQXQHGI-INIZCTEOSA-N 1 0 471.572 3.714 20 0 JHADRO Cc1nn(C)c(=O)c(-c2nc(CN(C)CCC3CCN(c4cc[nH+]cc4)CC3)cs2)c1C ZINC001307643422 1070098479 /nfs/dbraw/zinc/09/84/79/1070098479.db2.gz PDWCDKAKFKTXPH-UHFFFAOYSA-N 1 0 452.628 3.654 20 0 JHADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC001312739558 1070099509 /nfs/dbraw/zinc/09/95/09/1070099509.db2.gz IQNXNMFINWPLNI-PXNSSMCTSA-N 1 0 458.416 3.549 20 0 JHADRO C[C@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)[NH+]1CCC(CCC(N)=O)CC1 ZINC001307648309 1070100169 /nfs/dbraw/zinc/10/01/69/1070100169.db2.gz OQMWMLWYFXSXTR-IERDGZPVSA-N 1 0 456.974 3.977 20 0 JHADRO CC[C@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001307648953 1070100999 /nfs/dbraw/zinc/10/09/99/1070100999.db2.gz CVZPKKUHMXLDJC-WMZOPIPTSA-N 1 0 459.509 3.827 20 0 JHADRO O=C(NC/C=C\c1ccc(Br)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001312753676 1070104185 /nfs/dbraw/zinc/10/41/85/1070104185.db2.gz AMDAJTKUTZASPU-JMHZSLFCSA-N 1 0 458.400 3.645 20 0 JHADRO CCOCc1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001314320337 1070105598 /nfs/dbraw/zinc/10/55/98/1070105598.db2.gz CKKUJDHMFRGOJG-WOJBJXKFSA-N 1 0 456.635 3.888 20 0 JHADRO CCOCc1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CCNc1ncc(Cl)cc1Cl ZINC001314321082 1070106514 /nfs/dbraw/zinc/10/65/14/1070106514.db2.gz HPYSRRLYEOOZHD-CABCVRRESA-N 1 0 456.422 3.547 20 0 JHADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001312758289 1070107834 /nfs/dbraw/zinc/10/78/34/1070107834.db2.gz UQXWDXKNUCLDNU-GBXCKJPGSA-N 1 0 454.590 3.960 20 0 JHADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC001307659619 1070108146 /nfs/dbraw/zinc/10/81/46/1070108146.db2.gz UCRZDOAKRRQXHU-OAHLLOKOSA-N 1 0 458.609 3.672 20 0 JHADRO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC001307670933 1070114682 /nfs/dbraw/zinc/11/46/82/1070114682.db2.gz VTWJTILTBOGIIK-WMZOPIPTSA-N 1 0 456.591 3.652 20 0 JHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC001307668678 1070113492 /nfs/dbraw/zinc/11/34/92/1070113492.db2.gz FGNYYBICFUMCJV-GBESFXJTSA-N 1 0 458.603 3.766 20 0 JHADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC001307668713 1070113554 /nfs/dbraw/zinc/11/35/54/1070113554.db2.gz SVBAANSOCWDLRA-UXHICEINSA-N 1 0 450.670 3.931 20 0 JHADRO Cc1cc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n(-c2ccc(F)cc2)n1 ZINC001307669488 1070113631 /nfs/dbraw/zinc/11/36/31/1070113631.db2.gz HCQVNXWHLBWDOT-QZTJIDSGSA-N 1 0 459.566 3.884 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CC1 ZINC001307668724 1070113818 /nfs/dbraw/zinc/11/38/18/1070113818.db2.gz TZWBWUDYHQDETL-INIZCTEOSA-N 1 0 452.527 3.920 20 0 JHADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+](C)CCCNC(=O)C2CCC2)C1=O ZINC001307677942 1070120504 /nfs/dbraw/zinc/12/05/04/1070120504.db2.gz ZFIKSDLEVOINMS-IBGZPJMESA-N 1 0 450.421 3.800 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001314331143 1070123102 /nfs/dbraw/zinc/12/31/02/1070123102.db2.gz OAAUQQOWMMKKRD-UHFFFAOYSA-N 1 0 490.052 3.593 20 0 JHADRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)C1(C)C ZINC001307683174 1070123775 /nfs/dbraw/zinc/12/37/75/1070123775.db2.gz ISRZIRZUEUVLPA-PXDATVDWSA-N 1 0 457.640 3.711 20 0 JHADRO CC(C)(C)OC(=O)NC1(C)CC[NH+](C[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 ZINC001307691318 1070128151 /nfs/dbraw/zinc/12/81/51/1070128151.db2.gz ZUWSHPKNFYYUEC-MHECFPHRSA-N 1 0 453.624 3.782 20 0 JHADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001312799004 1070129030 /nfs/dbraw/zinc/12/90/30/1070129030.db2.gz XCSKUJJWAMUYGZ-IXDOHACOSA-N 1 0 452.562 3.842 20 0 JHADRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)NCc2ccccc2COc2ccccc2)C1 ZINC001307693280 1070130248 /nfs/dbraw/zinc/13/02/48/1070130248.db2.gz CRSSSCZBZATLJU-IFMALSPDSA-N 1 0 453.583 3.728 20 0 JHADRO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)cc1OC ZINC001307691959 1070129155 /nfs/dbraw/zinc/12/91/55/1070129155.db2.gz DGYHZAYDABDONK-FPOVZHCZSA-N 1 0 450.583 3.813 20 0 JHADRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC001312796848 1070127400 /nfs/dbraw/zinc/12/74/00/1070127400.db2.gz IOYZLIFINRNSEU-QUCCMNQESA-N 1 0 456.553 3.729 20 0 JHADRO COC(=O)N1CCC([C@H](C)[NH2+]CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)CC1 ZINC001307694845 1070131996 /nfs/dbraw/zinc/13/19/96/1070131996.db2.gz BXKYPIUDUVUJCC-PGRDOPGGSA-N 1 0 452.555 3.722 20 0 JHADRO COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001307702112 1070135136 /nfs/dbraw/zinc/13/51/36/1070135136.db2.gz GAQYAVBBVNMMDA-JOCHJYFZSA-N 1 0 450.501 3.972 20 0 JHADRO CCOCc1nnc(N2CCC(c3cnn(CC)c3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001314338731 1070135644 /nfs/dbraw/zinc/13/56/44/1070135644.db2.gz GPWZBBOPKPYFHD-NRFANRHFSA-N 1 0 457.667 3.783 20 0 JHADRO CCOCc1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001314339683 1070136555 /nfs/dbraw/zinc/13/65/55/1070136555.db2.gz PJSOCBPKYFOOQB-OAQYLSRUSA-N 1 0 455.647 3.811 20 0 JHADRO CN(CCCOc1ccc(F)cc1)C(=O)C[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001307705153 1070136834 /nfs/dbraw/zinc/13/68/34/1070136834.db2.gz GBWZINZJNPMPLD-RXVVDRJESA-N 1 0 451.583 3.726 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1cnn(-c2ccccc2)c1 ZINC001314342932 1070145876 /nfs/dbraw/zinc/14/58/76/1070145876.db2.gz ZUKGADGABKHUKB-UHFFFAOYSA-N 1 0 451.619 3.605 20 0 JHADRO COc1ccc(NC(=O)C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)cc1S(=O)(=O)N(C)C ZINC001307717561 1070143298 /nfs/dbraw/zinc/14/32/98/1070143298.db2.gz UUKNYGFIZYAAPO-FQEVSTJZSA-N 1 0 459.612 3.577 20 0 JHADRO CCOCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001314342688 1070145037 /nfs/dbraw/zinc/14/50/37/1070145037.db2.gz XFOIUCSQLHSVAJ-HXUWFJFHSA-N 1 0 478.682 3.772 20 0 JHADRO O=C1c2ccccc2C(=O)N1CCOCC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC001307720124 1070145212 /nfs/dbraw/zinc/14/52/12/1070145212.db2.gz UDRLWQNERRYXNT-UHFFFAOYSA-N 1 0 457.368 3.941 20 0 JHADRO CCOC(=O)C1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC001312838035 1070148280 /nfs/dbraw/zinc/14/82/80/1070148280.db2.gz DETLJPSUWOMQHG-BJKOFHAPSA-N 1 0 453.558 3.778 20 0 JHADRO CCOCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314348112 1070156810 /nfs/dbraw/zinc/15/68/10/1070156810.db2.gz CJWGIUMITZSFAD-LEWJYISDSA-N 1 0 456.635 3.686 20 0 JHADRO CCOCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001314347228 1070154392 /nfs/dbraw/zinc/15/43/92/1070154392.db2.gz UYMVBVMFIDMLJD-FQEVSTJZSA-N 1 0 476.666 3.571 20 0 JHADRO CCOCc1nnc(N2CCC(Oc3ccc(C)cc3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314348079 1070156654 /nfs/dbraw/zinc/15/66/54/1070156654.db2.gz BJDGBDIUSRMMOX-VXKWHMMOSA-N 1 0 471.646 3.670 20 0 JHADRO CC[NH+](CC)C1CCN(C(=O)NC2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC001312854347 1070156928 /nfs/dbraw/zinc/15/69/28/1070156928.db2.gz HABURRXNHMTXRW-UHFFFAOYSA-N 1 0 451.453 3.929 20 0 JHADRO CCOCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001314348372 1070158304 /nfs/dbraw/zinc/15/83/04/1070158304.db2.gz AXUWUSDEPKEZDZ-FQEVSTJZSA-N 1 0 478.682 3.820 20 0 JHADRO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c2ccccc2)cc1 ZINC001307743036 1070161936 /nfs/dbraw/zinc/16/19/36/1070161936.db2.gz ZENHMRZOXDTAFE-MHOPESGUSA-N 1 0 458.624 3.673 20 0 JHADRO CCOCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314349148 1070162302 /nfs/dbraw/zinc/16/23/02/1070162302.db2.gz INLSRPKOMDIVSA-KBMIEXCESA-N 1 0 478.682 3.819 20 0 JHADRO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC001307751422 1070166601 /nfs/dbraw/zinc/16/66/01/1070166601.db2.gz HLHPBEXIJMHWON-QZTJIDSGSA-N 1 0 451.633 3.613 20 0 JHADRO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+](C)[C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC001307752382 1070167581 /nfs/dbraw/zinc/16/75/81/1070167581.db2.gz HPYUQPRRZPAQHP-SFHVURJKSA-N 1 0 455.565 3.969 20 0 JHADRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)[C@H](O)c1ccccc1 ZINC001307755162 1070168362 /nfs/dbraw/zinc/16/83/62/1070168362.db2.gz YCJUNUBLZSALIO-ZOCIIQOWSA-N 1 0 452.336 3.966 20 0 JHADRO 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CCOC[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCN(CC)CC2)C1 ZINC001314422893 1070298179 /nfs/dbraw/zinc/29/81/79/1070298179.db2.gz SDKDCHKVWBKUQP-OAQYLSRUSA-N 1 0 475.081 3.879 20 0 JHADRO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC001308062905 1070298225 /nfs/dbraw/zinc/29/82/25/1070298225.db2.gz XXTYPIPKRYUZCG-WTIAFYNJSA-N 1 0 458.002 3.946 20 0 JHADRO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)c(OC)c1 ZINC001308063230 1070298259 /nfs/dbraw/zinc/29/82/59/1070298259.db2.gz BEYJLXKPNBKZIB-BHDDXSALSA-N 1 0 458.599 3.667 20 0 JHADRO CCN(CCOC)c1cccc(C[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)n1 ZINC001308068994 1070301701 /nfs/dbraw/zinc/30/17/01/1070301701.db2.gz YLULGUNXERYBKK-UHFFFAOYSA-N 1 0 454.550 3.593 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC001308077630 1070304133 /nfs/dbraw/zinc/30/41/33/1070304133.db2.gz BACLTPGPNUQSSY-XQBPLPMBSA-N 1 0 451.558 3.546 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314426847 1070305287 /nfs/dbraw/zinc/30/52/87/1070305287.db2.gz PZOKVWIEIIHKOD-JTHBVZDNSA-N 1 0 457.667 3.657 20 0 JHADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC001308078498 1070305490 /nfs/dbraw/zinc/30/54/90/1070305490.db2.gz SVBHIERIPYWULQ-BZDHPDOMSA-N 1 0 472.504 3.517 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CC=CCC2)C1 ZINC001314427217 1070306618 /nfs/dbraw/zinc/30/66/18/1070306618.db2.gz VGFREQLQMVJLFJ-QHCPKHFHSA-N 1 0 453.631 3.989 20 0 JHADRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H]([C@H]2CCCO2)C1 ZINC001308100645 1070310633 /nfs/dbraw/zinc/31/06/33/1070310633.db2.gz IFAFAFHVSCOGCH-GECPAALWSA-N 1 0 456.608 3.776 20 0 JHADRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001308097949 1070310922 /nfs/dbraw/zinc/31/09/22/1070310922.db2.gz GRCJZQHYLHKHGV-UZLBHIALSA-N 1 0 450.004 3.797 20 0 JHADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001313289884 1070318244 /nfs/dbraw/zinc/31/82/44/1070318244.db2.gz JLYGTNMXXALAAW-KRWDZBQOSA-N 1 0 458.550 3.635 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001314434791 1070320689 /nfs/dbraw/zinc/32/06/89/1070320689.db2.gz HZYYADYFNLMPPV-PCCBWWKXSA-N 1 0 471.646 3.704 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001314434959 1070320818 /nfs/dbraw/zinc/32/08/18/1070320818.db2.gz COSCTPGRGUNYGW-GOSISDBHSA-N 1 0 479.641 3.837 20 0 JHADRO CC(C)C1CCC([NH+]2CCN(C(=O)N[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)c(F)c3)CC2)CC1 ZINC001313305307 1070320874 /nfs/dbraw/zinc/32/08/74/1070320874.db2.gz BKIXXBFQPDBMGS-NWPNTPBNSA-N 1 0 462.585 3.779 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314437252 1070324712 /nfs/dbraw/zinc/32/47/12/1070324712.db2.gz VRAFNPKMPRYIFX-MSOLQXFVSA-N 1 0 479.467 3.641 20 0 JHADRO COC(=O)c1cc(NC(=O)C[NH2+][C@H](C)c2cc3ccccc3c(OC)c2)cc(C(=O)OC)c1 ZINC001308138141 1070325668 /nfs/dbraw/zinc/32/56/68/1070325668.db2.gz WHYLORHHJLEKMR-OAHLLOKOSA-N 1 0 450.491 3.711 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCSCC2)C1 ZINC001314438805 1070326108 /nfs/dbraw/zinc/32/61/08/1070326108.db2.gz WKTCSLGTXWPQLE-KRWDZBQOSA-N 1 0 480.476 3.619 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+](C)[C@H](C)CC)C1 ZINC001314438922 1070326598 /nfs/dbraw/zinc/32/65/98/1070326598.db2.gz NYECCVVPCXEFQI-NHCUHLMSSA-N 1 0 492.709 3.986 20 0 JHADRO C[C@@H]1CC[C@@](CO)([NH2+]CC(=O)Nc2ccc(I)cc2)c2ccccc21 ZINC001308159168 1070332876 /nfs/dbraw/zinc/33/28/76/1070332876.db2.gz XAIZHZRKEHWSOA-VLIAUNLRSA-N 1 0 450.320 3.604 20 0 JHADRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(Br)c2)ccc1S(C)(=O)=O ZINC001308166661 1070333292 /nfs/dbraw/zinc/33/32/92/1070333292.db2.gz BJSPUDKHDQVSKL-CYBMUJFWSA-N 1 0 455.374 3.541 20 0 JHADRO COc1cc([C@@H](C)[NH2+]CC[S@@](=O)c2cc(Cl)ccc2Cl)ccc1S(C)(=O)=O ZINC001308168760 1070334284 /nfs/dbraw/zinc/33/42/84/1070334284.db2.gz UTFSIFJPFRGJJH-MZHQLVBMSA-N 1 0 450.409 3.864 20 0 JHADRO CCOCCOC1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC001313365499 1070338422 /nfs/dbraw/zinc/33/84/22/1070338422.db2.gz CSIDTUDNIZDBFY-IZZNHLLZSA-N 1 0 451.611 3.882 20 0 JHADRO COc1cc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)ccc1OCC(F)(F)F ZINC001308210436 1070341121 /nfs/dbraw/zinc/34/11/21/1070341121.db2.gz QZUINASFIVCBFE-UHFFFAOYSA-N 1 0 451.489 3.946 20 0 JHADRO O=C(CCN1CCOCC1)Nc1cccc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)c1 ZINC001308207779 1070341170 /nfs/dbraw/zinc/34/11/70/1070341170.db2.gz XHCYNLJDYLGVQW-UHFFFAOYSA-N 1 0 451.489 3.578 20 0 JHADRO C[C@H]1CN(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001313400814 1070348640 /nfs/dbraw/zinc/34/86/40/1070348640.db2.gz IAHFYZORYQYUPX-MALNDZBISA-N 1 0 456.631 3.938 20 0 JHADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC001308266045 1070348728 /nfs/dbraw/zinc/34/87/28/1070348728.db2.gz IYIQHEHJRLFDSG-IAGOWNOFSA-N 1 0 454.453 3.953 20 0 JHADRO COc1cc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)ccc1OCc1ccc(Cl)cc1 ZINC001308299009 1070353888 /nfs/dbraw/zinc/35/38/88/1070353888.db2.gz AXDHSCMTMWTOSB-UUOWRZLLSA-N 1 0 457.958 3.738 20 0 JHADRO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2c(F)cc(Br)cc2F)cc1 ZINC001308281316 1070351606 /nfs/dbraw/zinc/35/16/06/1070351606.db2.gz AOXMRTGICBXXAY-UHFFFAOYSA-N 1 0 452.343 3.843 20 0 JHADRO C[N@H+](CCN1CCN(C(=O)NCc2cccc(OC(F)(F)F)c2)CC1)Cc1ccccc1 ZINC001313413659 1070352064 /nfs/dbraw/zinc/35/20/64/1070352064.db2.gz DACPQEAGLUBRNC-UHFFFAOYSA-N 1 0 450.505 3.544 20 0 JHADRO CCOc1cc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)cc(Br)c1OCC(=O)N(C)C ZINC001308283911 1070352062 /nfs/dbraw/zinc/35/20/62/1070352062.db2.gz FWVLNHBYGJUDMC-DYESRHJHSA-N 1 0 457.409 3.608 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@@H](c2nccn2C)c2ccc(F)c(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001313413187 1070352353 /nfs/dbraw/zinc/35/23/53/1070352353.db2.gz DPPWUWSMRZFLJM-FDDCHVKYSA-N 1 0 453.537 3.951 20 0 JHADRO O=S(=O)(NCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(Cl)cc1F ZINC001308379794 1070364464 /nfs/dbraw/zinc/36/44/64/1070364464.db2.gz MPQWJZCGIHDTKN-UHFFFAOYSA-N 1 0 453.898 3.874 20 0 JHADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC001308349996 1070360176 /nfs/dbraw/zinc/36/01/76/1070360176.db2.gz PBJBPQHJEQPIBY-IBGZPJMESA-N 1 0 450.377 3.770 20 0 JHADRO CCOCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001314459823 1070364387 /nfs/dbraw/zinc/36/43/87/1070364387.db2.gz PUYSWLMQJVLUSE-UHFFFAOYSA-N 1 0 466.001 3.713 20 0 JHADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC001308356219 1070361026 /nfs/dbraw/zinc/36/10/26/1070361026.db2.gz IEDQCPDLAGOXRU-TYILLQQXSA-N 1 0 453.352 3.703 20 0 JHADRO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(C(=O)NC4CC4)cc3)C2=O)ccc1Br ZINC001308363510 1070361893 /nfs/dbraw/zinc/36/18/93/1070361893.db2.gz LLZIHZNOFGSILH-NRFANRHFSA-N 1 0 456.384 3.935 20 0 JHADRO OC[C@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)Cc1ccc(Br)cc1 ZINC001308369761 1070362366 /nfs/dbraw/zinc/36/23/66/1070362366.db2.gz RRXBTPJVGRDVEJ-AWEZNQCLSA-N 1 0 453.178 3.800 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313447198 1070366320 /nfs/dbraw/zinc/36/63/20/1070366320.db2.gz KGODGQQHIIHWEF-KRWDZBQOSA-N 1 0 497.562 3.730 20 0 JHADRO COc1cc(C[NH2+]C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc(C(F)(F)F)c1 ZINC001308394693 1070368199 /nfs/dbraw/zinc/36/81/99/1070368199.db2.gz TWSOGZOFAKRNGR-GOSISDBHSA-N 1 0 454.464 3.660 20 0 JHADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC001308398605 1070369193 /nfs/dbraw/zinc/36/91/93/1070369193.db2.gz ASRSLJVODORCHP-UHFFFAOYSA-N 1 0 453.395 3.615 20 0 JHADRO COc1ccc([C@@H](C[NH+](C)C)NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 ZINC001308400478 1070370150 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UBHSMVILRPHNME-UHFFFAOYSA-N 1 0 454.537 3.773 20 0 JHADRO CCOc1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)ccc1OCC(=O)N1CCCCC1 ZINC001308425908 1070373743 /nfs/dbraw/zinc/37/37/43/1070373743.db2.gz MZCJWYPNLOTKGN-UHFFFAOYSA-N 1 0 457.537 3.593 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@](C)(OC)C1 ZINC001313449757 1070375371 /nfs/dbraw/zinc/37/53/71/1070375371.db2.gz ZQHOZPFOWHBTHY-CPJSRVTESA-N 1 0 457.619 3.842 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308442861 1070376312 /nfs/dbraw/zinc/37/63/12/1070376312.db2.gz YGDGRDBRTSLDLF-MISYRCLQSA-N 1 0 478.638 3.776 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CC)C1 ZINC001313450093 1070376820 /nfs/dbraw/zinc/37/68/20/1070376820.db2.gz IWPWHYMXKLNLQT-PCCBWWKXSA-N 1 0 476.666 3.697 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001313450593 1070378328 /nfs/dbraw/zinc/37/83/28/1070378328.db2.gz ZRBBYEBFGAKBSL-UNMCSNQZSA-N 1 0 452.647 3.690 20 0 JHADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1)CC(F)(F)F ZINC001308463799 1070378826 /nfs/dbraw/zinc/37/88/26/1070378826.db2.gz COHXJPZIEKALLP-WBVHZDCISA-N 1 0 451.917 3.981 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001313451188 1070379649 /nfs/dbraw/zinc/37/96/49/1070379649.db2.gz SDFSWLKOOKFDNS-QHCPKHFHSA-N 1 0 482.673 3.599 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001313451818 1070381062 /nfs/dbraw/zinc/38/10/62/1070381062.db2.gz BBCYRWDYZKVTCQ-FUHWJXTLSA-N 1 0 498.491 3.827 20 0 JHADRO CC(C)(C)OC(=O)CN1CCCC[C@@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1=O ZINC001308498496 1070382473 /nfs/dbraw/zinc/38/24/73/1070382473.db2.gz YOXIYYRRMGOBKZ-OAQYLSRUSA-N 1 0 450.023 3.617 20 0 JHADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)cc1Br ZINC001308500031 1070382509 /nfs/dbraw/zinc/38/25/09/1070382509.db2.gz ZWUGGLCXDIBTRA-AEFFLSMTSA-N 1 0 459.793 3.760 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313452534 1070383262 /nfs/dbraw/zinc/38/32/62/1070383262.db2.gz LINROXCSVJQIAK-SVFBPWRDSA-N 1 0 481.563 3.930 20 0 JHADRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)c1 ZINC001308514480 1070384363 /nfs/dbraw/zinc/38/43/63/1070384363.db2.gz VQRHFSRLMMQJOF-ZUOKHONESA-N 1 0 452.345 3.839 20 0 JHADRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001308514696 1070384506 /nfs/dbraw/zinc/38/45/06/1070384506.db2.gz PSMWDDCVJXDBSO-JHZJELJQSA-N 1 0 459.539 3.987 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC001308540265 1070387871 /nfs/dbraw/zinc/38/78/71/1070387871.db2.gz QVHVGFVMIMLHOH-KRWDZBQOSA-N 1 0 453.299 3.929 20 0 JHADRO CCOCCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[N@H+](CC)C1 ZINC001314477613 1070387938 /nfs/dbraw/zinc/38/79/38/1070387938.db2.gz OOSTUMUPSOZJHY-PMACEKPBSA-N 1 0 464.655 3.555 20 0 JHADRO CCOCCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCC(C)CC1 ZINC001314478084 1070388551 /nfs/dbraw/zinc/38/85/51/1070388551.db2.gz WJVJMFVMIXWSAA-NRFANRHFSA-N 1 0 478.682 3.945 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001313454801 1070390223 /nfs/dbraw/zinc/39/02/23/1070390223.db2.gz AEPHPGXBGHMYQX-MOPGFXCFSA-N 1 0 465.646 3.888 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[C@@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313455286 1070391884 /nfs/dbraw/zinc/39/18/84/1070391884.db2.gz LRPXHCUPOBCEHV-UXHICEINSA-N 1 0 465.646 3.888 20 0 JHADRO CCOC(=O)Cn1cc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(-c2cccnc2)n1 ZINC001308581815 1070393898 /nfs/dbraw/zinc/39/38/98/1070393898.db2.gz OPZXGBCKFHKPNQ-HSZRJFAPSA-N 1 0 452.530 3.829 20 0 JHADRO CCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001314486523 1070398674 /nfs/dbraw/zinc/39/86/74/1070398674.db2.gz NSDZJGYSHIBFPP-FGZHOGPDSA-N 1 0 490.693 3.741 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)[NH+](C)C)C1 ZINC001313458070 1070401608 /nfs/dbraw/zinc/40/16/08/1070401608.db2.gz IBPPERUNOOQIKV-GBESFXJTSA-N 1 0 477.053 3.764 20 0 JHADRO CCCn1nc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](OC)[C@@H](C)CC)c2ccccc2c1=O ZINC001313459077 1070405179 /nfs/dbraw/zinc/40/51/79/1070405179.db2.gz JDFAGUMTKMQBED-REWPJTCUSA-N 1 0 495.672 3.657 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001313459326 1070405802 /nfs/dbraw/zinc/40/58/02/1070405802.db2.gz HNCWMVNHVZZJMP-IAGOWNOFSA-N 1 0 477.028 3.963 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc3c(c2)CCO3)C[C@H]1CC ZINC001314494160 1070410169 /nfs/dbraw/zinc/41/01/69/1070410169.db2.gz NUQHSCKPPZAXSK-JOCHJYFZSA-N 1 0 455.647 3.690 20 0 JHADRO CCCn1nc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313460280 1070410201 /nfs/dbraw/zinc/41/02/01/1070410201.db2.gz NEZLCBPLVULTCO-MOPGFXCFSA-N 1 0 483.686 3.737 20 0 JHADRO CCOCCN1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001314494605 1070410919 /nfs/dbraw/zinc/41/09/19/1070410919.db2.gz UADOKFLDLDNJJU-UHFFFAOYSA-N 1 0 468.690 3.571 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001313460886 1070412946 /nfs/dbraw/zinc/41/29/46/1070412946.db2.gz PVMDARKQPCYDEF-FQEVSTJZSA-N 1 0 457.022 3.603 20 0 JHADRO CN(Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308663707 1070413384 /nfs/dbraw/zinc/41/33/84/1070413384.db2.gz STYQGIPFDDHSDZ-FGZHOGPDSA-N 1 0 454.619 3.556 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)cnn1C ZINC001308668576 1070414090 /nfs/dbraw/zinc/41/40/90/1070414090.db2.gz KJSIUNMBBTYLJG-WNOPAQSVSA-N 1 0 455.647 3.522 20 0 JHADRO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](CC3CCC(c4ccccc4)CC3)CC2)cc1 ZINC001308664860 1070414146 /nfs/dbraw/zinc/41/41/46/1070414146.db2.gz VUVBVNXTECUXBE-UHFFFAOYSA-N 1 0 455.624 3.959 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1CC ZINC001314497262 1070420408 /nfs/dbraw/zinc/42/04/08/1070420408.db2.gz BUGHLHJFSNXNTB-VXKWHMMOSA-N 1 0 490.693 3.882 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1CC ZINC001314497263 1070420424 /nfs/dbraw/zinc/42/04/24/1070420424.db2.gz BUGHLHJFSNXNTB-YADHBBJMSA-N 1 0 490.693 3.882 20 0 JHADRO CCCn1nc(-c2nnc(N3CCSC[C@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313462552 1070421589 /nfs/dbraw/zinc/42/15/89/1070421589.db2.gz XVKCPPMPJUBRQQ-UXHICEINSA-N 1 0 497.713 3.983 20 0 JHADRO CCOC(=O)Cn1cc(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)c(-c2cnn(C)c2)n1 ZINC001308710847 1070423472 /nfs/dbraw/zinc/42/34/72/1070423472.db2.gz YOPPVAONNDVZIU-UHFFFAOYSA-N 1 0 455.509 3.804 20 0 JHADRO COc1cccc2c1CC[C@H]([NH2+]C[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)C2 ZINC001308716184 1070424349 /nfs/dbraw/zinc/42/43/49/1070424349.db2.gz MEVLYOLUGJJYEL-FXAWDEMLSA-N 1 0 457.537 3.626 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC001308735088 1070428346 /nfs/dbraw/zinc/42/83/46/1070428346.db2.gz WFURKAUKNSOGCY-AREMUKBSSA-N 1 0 453.583 3.952 20 0 JHADRO COCO[C@H](C)c1cc(F)c(CN2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Br ZINC001308718621 1070425275 /nfs/dbraw/zinc/42/52/75/1070425275.db2.gz CLRZGQIGOVVHMB-IAGOWNOFSA-N 1 0 459.400 3.814 20 0 JHADRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC001308735149 1070428442 /nfs/dbraw/zinc/42/84/42/1070428442.db2.gz MCFFFAIPTIHFRO-GHTZIAJQSA-N 1 0 451.537 3.837 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001313463924 1070427501 /nfs/dbraw/zinc/42/75/01/1070427501.db2.gz BRQWOXVBVIZESS-FCHUYYIVSA-N 1 0 482.673 3.818 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001313463925 1070427513 /nfs/dbraw/zinc/42/75/13/1070427513.db2.gz BRQWOXVBVIZESS-FGZHOGPDSA-N 1 0 482.673 3.818 20 0 JHADRO CC(=O)N(c1nc(CN[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cs1)c1ccccc1 ZINC001308747028 1070430045 /nfs/dbraw/zinc/43/00/45/1070430045.db2.gz UMSGLBFSYVYQCJ-QPPBQGQZSA-N 1 0 450.608 3.800 20 0 JHADRO CCn1c(Br)c(Br)nc1CN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC001308753251 1070430928 /nfs/dbraw/zinc/43/09/28/1070430928.db2.gz MXJUERGIEQVVKU-OAHLLOKOSA-N 1 0 456.226 3.787 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CCC3)n2Cc2cccc(C(F)(F)F)n2)C[C@H]1CC ZINC001314500430 1070431709 /nfs/dbraw/zinc/43/17/09/1070431709.db2.gz UVIJCHNNVRIUSD-LJQANCHMSA-N 1 0 466.552 3.945 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C3CC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1CC ZINC001314500738 1070432340 /nfs/dbraw/zinc/43/23/40/1070432340.db2.gz XGWWFADFYJXBRO-JOCHJYFZSA-N 1 0 488.677 3.660 20 0 JHADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@H](c1nnc[nH]1)c1ccccc1 ZINC001308765423 1070433563 /nfs/dbraw/zinc/43/35/63/1070433563.db2.gz GYNYEYJSCWDSCS-KSSFIOAISA-N 1 0 455.584 3.799 20 0 JHADRO Cc1ccc(C[C@H](CO)C[NH2+]C2CC3(C[C@@H]3NC(=O)OC(C)(C)C)C2)cc1Br ZINC001308770733 1070435044 /nfs/dbraw/zinc/43/50/44/1070435044.db2.gz UXDHCUSBLABRRH-FDHNLUJUSA-N 1 0 453.421 3.944 20 0 JHADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC001308769956 1070435184 /nfs/dbraw/zinc/43/51/84/1070435184.db2.gz OGPLYFZPJRWBTC-BMWHPICZSA-N 1 0 453.587 3.736 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1CC ZINC001314501930 1070436005 /nfs/dbraw/zinc/43/60/05/1070436005.db2.gz TYVPFKFNBOOAQR-SJORKVTESA-N 1 0 499.553 3.714 20 0 JHADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccc(N2CCOC2=O)cc1 ZINC001308775990 1070436632 /nfs/dbraw/zinc/43/66/32/1070436632.db2.gz CIVJWVOUKWLERE-YDHSSHFGSA-N 1 0 453.539 3.720 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(F)c(F)c2F)C[C@@H]1CC ZINC001314502575 1070437425 /nfs/dbraw/zinc/43/74/25/1070437425.db2.gz BQCBYXJUYUBYFF-AZUAARDMSA-N 1 0 481.563 3.727 20 0 JHADRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CN1C(=O)OC(C)(C)C ZINC001308794704 1070438697 /nfs/dbraw/zinc/43/86/97/1070438697.db2.gz BSZIDOLKIXELCV-MJGOQNOKSA-N 1 0 456.587 3.933 20 0 JHADRO C[NH+](C)Cc1ccc(CN2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c2c1OC(F)(F)O2 ZINC001308793063 1070438734 /nfs/dbraw/zinc/43/87/34/1070438734.db2.gz NHGDDOLYMZQISI-CRAIPNDOSA-N 1 0 453.530 3.901 20 0 JHADRO CCOCCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314503535 1070439949 /nfs/dbraw/zinc/43/99/49/1070439949.db2.gz QJVHDODSUOUZAJ-ACRUOGEOSA-N 1 0 458.651 3.662 20 0 JHADRO FC(F)(F)Oc1ccccc1CC1C[NH+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC001308807994 1070441240 /nfs/dbraw/zinc/44/12/40/1070441240.db2.gz GYXNQCVDHDYMIG-UHFFFAOYSA-N 1 0 450.501 3.971 20 0 JHADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)cnn1C ZINC001308842173 1070446614 /nfs/dbraw/zinc/44/66/14/1070446614.db2.gz ANQGRHDJABZFEE-ATIYNZHBSA-N 1 0 455.647 3.666 20 0 JHADRO CC[NH+](CC)CCNC(=O)c1ccc(NC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)cc1 ZINC001308845998 1070447563 /nfs/dbraw/zinc/44/75/63/1070447563.db2.gz XIWNZEXICRBFTR-LJQANCHMSA-N 1 0 454.562 3.815 20 0 JHADRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]CC1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)CO2 ZINC001308858961 1070450119 /nfs/dbraw/zinc/45/01/19/1070450119.db2.gz IHVRWPFATDXIJZ-MSRNWOCLSA-N 1 0 451.608 3.533 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C[C@H]1c1ccccc1 ZINC001308868607 1070451692 /nfs/dbraw/zinc/45/16/92/1070451692.db2.gz QALIUCAIBFPFKU-NCYKPQTJSA-N 1 0 451.633 3.577 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313469571 1070452984 /nfs/dbraw/zinc/45/29/84/1070452984.db2.gz XGWOQBGHITUSJT-LEWJYISDSA-N 1 0 482.673 3.817 20 0 JHADRO COCCNS(=O)(=O)c1cccc(NC[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001308887214 1070454930 /nfs/dbraw/zinc/45/49/30/1070454930.db2.gz UFBDWAODGQQLIH-RUZDIDTESA-N 1 0 459.656 3.962 20 0 JHADRO C[C@H]1C[C@@H](C[NH+]2CCC(N(CCO)C(=O)OC(C)(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001308894473 1070455898 /nfs/dbraw/zinc/45/58/98/1070455898.db2.gz FEZLYUYOEWOOAK-OALUTQOASA-N 1 0 455.640 3.716 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(C(C)C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001314508156 1070457260 /nfs/dbraw/zinc/45/72/60/1070457260.db2.gz NQWVMICKHLQFTO-HXUWFJFHSA-N 1 0 461.676 3.716 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313470711 1070457911 /nfs/dbraw/zinc/45/79/11/1070457911.db2.gz ZNXXFFJANZZQQF-PMACEKPBSA-N 1 0 469.678 3.772 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001314508644 1070459244 /nfs/dbraw/zinc/45/92/44/1070459244.db2.gz ATMJTJGHXSRLJQ-WOJBJXKFSA-N 1 0 488.702 3.500 20 0 JHADRO COc1ccc(C2=NO[C@@H](C[NH2+]CC3CCN(C(=O)OCc4ccccc4)CC3)C2)cc1F ZINC001308922223 1070459756 /nfs/dbraw/zinc/45/97/56/1070459756.db2.gz DEBPLEJHCZABEC-OAQYLSRUSA-N 1 0 455.530 3.966 20 0 JHADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](Cc1ccsc1Br)C2 ZINC001308941190 1070462999 /nfs/dbraw/zinc/46/29/99/1070462999.db2.gz NXHHJVSOMCPPDG-BIENJYKASA-N 1 0 459.406 3.789 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313474783 1070473318 /nfs/dbraw/zinc/47/33/18/1070473318.db2.gz LTGQOGHYNPKIDL-VXKWHMMOSA-N 1 0 495.716 3.763 20 0 JHADRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC001308993260 1070473371 /nfs/dbraw/zinc/47/33/71/1070473371.db2.gz OFNLBRRMMSNZMN-UHFFFAOYSA-N 1 0 450.004 3.757 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC1([NH+](C)C)CCCC1 ZINC001314512882 1070477524 /nfs/dbraw/zinc/47/75/24/1070477524.db2.gz MSAACKWCPKYTAZ-LJQANCHMSA-N 1 0 484.670 3.627 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314515543 1070486653 /nfs/dbraw/zinc/48/66/53/1070486653.db2.gz HPBGTSWVKVEMRU-YDIMBITNSA-N 1 0 479.666 3.854 20 0 JHADRO CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313479038 1070489986 /nfs/dbraw/zinc/48/99/86/1070489986.db2.gz LMGSWEVGHJRKGN-UNMCSNQZSA-N 1 0 463.630 3.679 20 0 JHADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314516584 1070491992 /nfs/dbraw/zinc/49/19/92/1070491992.db2.gz KKXRLQSHIQUXSR-NFBKMPQASA-N 1 0 484.670 3.678 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314521351 1070507284 /nfs/dbraw/zinc/50/72/84/1070507284.db2.gz ZXLFKXLNKOVXLG-ZCNNSNEGSA-N 1 0 486.686 3.806 20 0 JHADRO Cc1ccc2ccccc2c1S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001309053516 1070510461 /nfs/dbraw/zinc/51/04/61/1070510461.db2.gz PFWBPFIYGZWIQZ-UHFFFAOYSA-N 1 0 457.640 3.541 20 0 JHADRO CCCNC(=O)Cn1c(C2CCCC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313492195 1070512668 /nfs/dbraw/zinc/51/26/68/1070512668.db2.gz AKAGGBSEBQXHHS-NZQKXSOJSA-N 1 0 452.647 3.951 20 0 JHADRO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)c2c(F)cccc2Br)cc1 ZINC001309058131 1070513434 /nfs/dbraw/zinc/51/34/34/1070513434.db2.gz ONAXTDWQWNGXHB-UHFFFAOYSA-N 1 0 459.381 3.787 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001313493246 1070514403 /nfs/dbraw/zinc/51/44/03/1070514403.db2.gz WZIZUKKCIIGANW-RTWAWAEBSA-N 1 0 468.646 3.571 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001313503487 1070533569 /nfs/dbraw/zinc/53/35/69/1070533569.db2.gz IIJGYIJKNIMOJY-HXUWFJFHSA-N 1 0 498.672 3.579 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@H](N4CC[NH+](CC)CC4)C3)n2CC(C)C)cc1OC ZINC001313503124 1070531950 /nfs/dbraw/zinc/53/19/50/1070531950.db2.gz BWAXUFUPWGSGKF-QFIPXVFZSA-N 1 0 470.662 3.615 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001313503375 1070532978 /nfs/dbraw/zinc/53/29/78/1070532978.db2.gz PHWSLQKZAUUNOG-FQRUVTKNSA-N 1 0 471.646 3.682 20 0 JHADRO CCS(=O)(=O)N(C)C1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314538214 1070533300 /nfs/dbraw/zinc/53/33/00/1070533300.db2.gz LKDMYBAQSUZYLR-FQEVSTJZSA-N 1 0 496.766 3.628 20 0 JHADRO C[C@H]1Cc2cccc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccc(Br)cc3)c2O1 ZINC001309091035 1070534257 /nfs/dbraw/zinc/53/42/57/1070534257.db2.gz PWRCPBIQQGGYTM-HNNXBMFYSA-N 1 0 453.402 3.525 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001313503878 1070535414 /nfs/dbraw/zinc/53/54/14/1070535414.db2.gz UNECGEKREIXPOX-SFTDATJTSA-N 1 0 484.689 3.861 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001313504150 1070537397 /nfs/dbraw/zinc/53/73/97/1070537397.db2.gz MOWFAKQDGFICDL-XMMPIXPASA-N 1 0 469.630 3.866 20 0 JHADRO CCS(=O)(=O)N(C)CCCn1c(C2CCCC2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001314544030 1070544083 /nfs/dbraw/zinc/54/40/83/1070544083.db2.gz YQLJXGDPTDPMJJ-QFIPXVFZSA-N 1 0 494.750 3.556 20 0 JHADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001309100026 1070540029 /nfs/dbraw/zinc/54/00/29/1070540029.db2.gz KUTJUUXHORRVQQ-OKILXGFUSA-N 1 0 450.523 3.527 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCCC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC001313507067 1070551106 /nfs/dbraw/zinc/55/11/06/1070551106.db2.gz RVSFEJXCMRDJFX-FQEVSTJZSA-N 1 0 457.619 3.844 20 0 JHADRO CC[S@](=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001314565166 1070569729 /nfs/dbraw/zinc/56/97/29/1070569729.db2.gz ZJECSOCQTOJTBL-MYGHRHJXSA-N 1 0 463.717 3.867 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCOCC3)n2C[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC001313515823 1070574676 /nfs/dbraw/zinc/57/46/76/1070574676.db2.gz YOUBPXYJGJEMSE-HXUWFJFHSA-N 1 0 457.619 3.701 20 0 JHADRO CC[S@@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001314569238 1070575009 /nfs/dbraw/zinc/57/50/09/1070575009.db2.gz NLQREWPKFAAPPW-DIONPFJRSA-N 1 0 479.641 3.616 20 0 JHADRO CC[S@@](=O)CCn1c(CCCc2ccccc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001314572461 1070579369 /nfs/dbraw/zinc/57/93/69/1070579369.db2.gz GOPSURGETQWZES-CJJUWATJSA-N 1 0 471.715 3.923 20 0 JHADRO O=S(=O)(Cc1ccc(-n2cccn2)cc1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001309163805 1070580249 /nfs/dbraw/zinc/58/02/49/1070580249.db2.gz NTMLSPREUUQAQV-UHFFFAOYSA-N 1 0 459.015 3.857 20 0 JHADRO CC[S@@](=O)CCn1c(CCCc2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001314573552 1070580365 /nfs/dbraw/zinc/58/03/65/1070580365.db2.gz MJWYJOSNISPSLE-JGCGQSQUSA-N 1 0 457.688 3.677 20 0 JHADRO O=S(=O)(NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(OCC(F)(F)F)nc1 ZINC001309177027 1070586533 /nfs/dbraw/zinc/58/65/33/1070586533.db2.gz QQMWWIAWHWJKLT-UHFFFAOYSA-N 1 0 457.518 3.877 20 0 JHADRO CN(C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F)C1CCCC1 ZINC001309182964 1070590099 /nfs/dbraw/zinc/59/00/99/1070590099.db2.gz AJJKTWVZUOCROB-UHFFFAOYSA-N 1 0 455.416 3.632 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2Br)[C@H](C)C1 ZINC001309183989 1070591243 /nfs/dbraw/zinc/59/12/43/1070591243.db2.gz MHSAKENPTOQVFS-CJNGLKHVSA-N 1 0 453.830 3.518 20 0 JHADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC001309183993 1070591413 /nfs/dbraw/zinc/59/14/13/1070591413.db2.gz MHSAKENPTOQVFS-XJKSGUPXSA-N 1 0 453.830 3.518 20 0 JHADRO CCCO[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001313524143 1070595497 /nfs/dbraw/zinc/59/54/97/1070595497.db2.gz DWBPBQFFQXUSPM-NRFANRHFSA-N 1 0 491.627 3.779 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001313525115 1070597778 /nfs/dbraw/zinc/59/77/78/1070597778.db2.gz ZYAWOUYUHMYREZ-YADHBBJMSA-N 1 0 452.603 3.945 20 0 JHADRO CCSc1cc(Cn2c(CC(C)(C)C)nnc2N2CC[N@H+](CCOC)[C@@H](CC)C2)ccn1 ZINC001314583226 1070598620 /nfs/dbraw/zinc/59/86/20/1070598620.db2.gz HYLITASKVNMPID-FQEVSTJZSA-N 1 0 460.692 3.969 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCCC2)CC1 ZINC001313526467 1070601482 /nfs/dbraw/zinc/60/14/82/1070601482.db2.gz KTKSGZFLXAMMEI-LJQANCHMSA-N 1 0 479.467 3.927 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001314587691 1070611456 /nfs/dbraw/zinc/61/14/56/1070611456.db2.gz DXZFJBYDCQHTEP-SLFFLAALSA-N 1 0 450.697 3.649 20 0 JHADRO CCSc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001314588006 1070612270 /nfs/dbraw/zinc/61/22/70/1070612270.db2.gz AGIRQLCBCHKFGX-NRFANRHFSA-N 1 0 470.687 3.948 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001313531907 1070616138 /nfs/dbraw/zinc/61/61/38/1070616138.db2.gz YSCBIHMDTUJLOE-OAQYLSRUSA-N 1 0 456.635 3.545 20 0 JHADRO CCS[C@H]1CC[C@@H](N(C)c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001314589262 1070615562 /nfs/dbraw/zinc/61/55/62/1070615562.db2.gz PSRZJXZOVJLBGP-YADHBBJMSA-N 1 0 470.687 3.734 20 0 JHADRO O=S(=O)(NC[C@@H](O)c1cccc(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309218891 1070617413 /nfs/dbraw/zinc/61/74/13/1070617413.db2.gz JSTPTCBENCPEKK-ISJGIBHGSA-N 1 0 472.557 3.586 20 0 JHADRO O=S(=O)(NC[C@H](O)C1CCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309222274 1070622546 /nfs/dbraw/zinc/62/25/46/1070622546.db2.gz FNTYTPJAEFHCSV-CCDWMCETSA-N 1 0 460.615 3.654 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001314592368 1070624614 /nfs/dbraw/zinc/62/46/14/1070624614.db2.gz DIMGUCLDQMHUEE-WOZUAGRISA-N 1 0 456.660 3.643 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314594071 1070630371 /nfs/dbraw/zinc/63/03/71/1070630371.db2.gz JIUOENQBFYVZEX-OQEHDIDLSA-N 1 0 497.775 3.659 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(CN3CCCC3=O)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001314594513 1070631035 /nfs/dbraw/zinc/63/10/35/1070631035.db2.gz JKKSODSSHZTWCT-YPAWHYETSA-N 1 0 488.677 3.953 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(Cc3ccccn3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001314595206 1070635078 /nfs/dbraw/zinc/63/50/78/1070635078.db2.gz LYCUBGAZRKGZAB-YMPZKCBVSA-N 1 0 472.703 3.875 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(-c3noc4c3COCC4)n2CCC[N@H+](C)C(C)C)C1 ZINC001314595516 1070635694 /nfs/dbraw/zinc/63/56/94/1070635694.db2.gz IZHVGGVROWWFRV-GOSISDBHSA-N 1 0 462.664 3.848 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001314597490 1070639880 /nfs/dbraw/zinc/63/98/80/1070639880.db2.gz IDDXLPOSAMMLCH-RTWAWAEBSA-N 1 0 462.708 3.891 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313543396 1070641803 /nfs/dbraw/zinc/64/18/03/1070641803.db2.gz NCMVWJXETIBZCI-AQNXPRMDSA-N 1 0 478.682 3.558 20 0 JHADRO CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc21 ZINC001309247691 1070642463 /nfs/dbraw/zinc/64/24/63/1070642463.db2.gz AFOBMQYJVSBQIY-GLDPYIMESA-N 1 0 455.624 3.736 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001314598064 1070642584 /nfs/dbraw/zinc/64/25/84/1070642584.db2.gz IAYDRUQXFWNZOL-PMACEKPBSA-N 1 0 479.094 3.952 20 0 JHADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001309256162 1070648823 /nfs/dbraw/zinc/64/88/23/1070648823.db2.gz ZQZSZCZHSHIFPZ-MRXNPFEDSA-N 1 0 457.379 3.675 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001314599674 1070647872 /nfs/dbraw/zinc/64/78/72/1070647872.db2.gz WRVHSOJDORRELH-MDNUFGMLSA-N 1 0 472.703 3.875 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313545752 1070652103 /nfs/dbraw/zinc/65/21/03/1070652103.db2.gz IGRZQVKKLUTGKD-LJQANCHMSA-N 1 0 471.650 3.906 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314601844 1070653519 /nfs/dbraw/zinc/65/35/19/1070653519.db2.gz VNQBWLKUWOSLNO-HAGHYFMRSA-N 1 0 462.708 3.850 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001314603423 1070657851 /nfs/dbraw/zinc/65/78/51/1070657851.db2.gz CSXWULGUQNNKNW-GGAORHGYSA-N 1 0 472.703 3.877 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(CC(C)C)n2C[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001314603713 1070659117 /nfs/dbraw/zinc/65/91/17/1070659117.db2.gz MLYUBJLHYCSXGF-YADHBBJMSA-N 1 0 450.741 3.862 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001314603951 1070659294 /nfs/dbraw/zinc/65/92/94/1070659294.db2.gz OBKNIHDIYREQLA-YPAWHYETSA-N 1 0 464.724 3.658 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)(C)O)C1 ZINC001314607699 1070667657 /nfs/dbraw/zinc/66/76/57/1070667657.db2.gz NAZHVTTVQYNJTI-QHCPKHFHSA-N 1 0 486.730 3.526 20 0 JHADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001309287024 1070670351 /nfs/dbraw/zinc/67/03/51/1070670351.db2.gz YENFBTRIMYMYOH-UHFFFAOYSA-N 1 0 455.296 3.813 20 0 JHADRO CCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001313549961 1070666928 /nfs/dbraw/zinc/66/69/28/1070666928.db2.gz MQMSYHYBUCWQSM-UHFFFAOYSA-N 1 0 489.064 3.786 20 0 JHADRO CCSCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001314612251 1070677523 /nfs/dbraw/zinc/67/75/23/1070677523.db2.gz QOTRYFWETYWNLL-OAQYLSRUSA-N 1 0 462.708 3.750 20 0 JHADRO CCSCC[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001314612102 1070677621 /nfs/dbraw/zinc/67/76/21/1070677621.db2.gz WWFCFYMTLJSUHI-ROUUACIJSA-N 1 0 462.664 3.848 20 0 JHADRO CCSCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001314612759 1070678980 /nfs/dbraw/zinc/67/89/80/1070678980.db2.gz CVGXQICCEKYJGE-UHFFFAOYSA-N 1 0 491.727 3.947 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cc(C)cs2)c1 ZINC001313574385 1070689977 /nfs/dbraw/zinc/68/99/77/1070689977.db2.gz ZTEQVADYJOXDOS-OAQYLSRUSA-N 1 0 452.628 3.736 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(C2)CCCCC3)c1 ZINC001313571691 1070686182 /nfs/dbraw/zinc/68/61/82/1070686182.db2.gz DDUPVGMXRLOJSL-FQEVSTJZSA-N 1 0 488.702 3.549 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cccnc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)c1 ZINC001313572102 1070686209 /nfs/dbraw/zinc/68/62/09/1070686209.db2.gz JYXIJMCKHOASKY-LJQANCHMSA-N 1 0 487.574 3.913 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C)C2)c1 ZINC001313574806 1070689720 /nfs/dbraw/zinc/68/97/20/1070689720.db2.gz MJHWHYRFXPDAAS-WWPVKYPJSA-N 1 0 455.647 3.922 20 0 JHADRO CCSCC[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314615303 1070685113 /nfs/dbraw/zinc/68/51/13/1070685113.db2.gz QQRNTJJDPHMKHK-MTQWCTHYSA-N 1 0 453.697 3.985 20 0 JHADRO CCSCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001314620910 1070699680 /nfs/dbraw/zinc/69/96/80/1070699680.db2.gz KYRRLFRTHIUGQR-FKBYEOEOSA-N 1 0 464.724 3.658 20 0 JHADRO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H](C)[NH+]1CCCCC1)C(C)C ZINC001313581718 1070702054 /nfs/dbraw/zinc/70/20/54/1070702054.db2.gz JJUPAPLHMQEHPE-FQEVSTJZSA-N 1 0 476.691 3.695 20 0 JHADRO CCN(c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](CC(C)C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313582641 1070704116 /nfs/dbraw/zinc/70/41/16/1070704116.db2.gz ORMKJRWAVLWQEC-SFTDATJTSA-N 1 0 498.697 3.791 20 0 JHADRO CCN(c1nnc(-c2cc(Br)cn2C)n1CC1([NH+]2CCCC2)CCOCC1)C(C)C ZINC001313583154 1070705235 /nfs/dbraw/zinc/70/52/35/1070705235.db2.gz SECOHGPPHAXLTD-UHFFFAOYSA-N 1 0 479.467 3.926 20 0 JHADRO CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C[NH+](C)C)[C@@H](C)C1CCC1 ZINC001313585260 1070709991 /nfs/dbraw/zinc/70/99/91/1070709991.db2.gz VIXNMCJBEPKRKN-SFHVURJKSA-N 1 0 461.676 3.951 20 0 JHADRO CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)C[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313585728 1070710556 /nfs/dbraw/zinc/71/05/56/1070710556.db2.gz CMBSSYQXFZTLQN-NZQKXSOJSA-N 1 0 487.714 3.988 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(CCCc2ccccc2)nnc1N1CCC(F)(F)CC1 ZINC001314627640 1070721182 /nfs/dbraw/zinc/72/11/82/1070721182.db2.gz BZNMXLFAWFRFBU-JOCHJYFZSA-N 1 0 488.627 3.632 20 0 JHADRO CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313588236 1070715382 /nfs/dbraw/zinc/71/53/82/1070715382.db2.gz RWJWYJWAYQUJPE-UXHICEINSA-N 1 0 480.078 3.732 20 0 JHADRO CN(C)C(=O)C1(Cn2c([C@H]3CCCCO3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCCC1 ZINC001314627682 1070721597 /nfs/dbraw/zinc/72/15/97/1070721597.db2.gz FOLJIDBTTAAQSE-OAQYLSRUSA-N 1 0 474.694 3.727 20 0 JHADRO CCN(c1nnc(-c2ccccc2Cl)n1CC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313592706 1070719805 /nfs/dbraw/zinc/71/98/05/1070719805.db2.gz UNGNOEYCQLWCGD-RTBURBONSA-N 1 0 480.078 3.876 20 0 JHADRO CCN(c1nnc(-c2ccccc2F)n1CCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001313593284 1070720596 /nfs/dbraw/zinc/72/05/96/1070720596.db2.gz SKOHIAIXPXXKDM-PMACEKPBSA-N 1 0 477.650 3.752 20 0 JHADRO CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC001313597147 1070722560 /nfs/dbraw/zinc/72/25/60/1070722560.db2.gz UYNNWLGECZRQFK-IBGZPJMESA-N 1 0 475.707 3.983 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(CC(C)(C)C)nnc1N1C[C@H]2CCCCCC[C@H]21 ZINC001314630322 1070730548 /nfs/dbraw/zinc/73/05/48/1070730548.db2.gz XCNGKMPGVXPGKM-VSKRKVRLSA-N 1 0 458.695 3.968 20 0 JHADRO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1)C1CCCCC1 ZINC001313603047 1070726354 /nfs/dbraw/zinc/72/63/54/1070726354.db2.gz FABSGFVSNZVBFQ-DCLXLUIPSA-N 1 0 465.708 3.850 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CCCC1 ZINC001314629415 1070727509 /nfs/dbraw/zinc/72/75/09/1070727509.db2.gz OXPLXCCAULVVCM-DNVJHFABSA-N 1 0 488.721 3.766 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2ccccc2Br)nnc1N(C)C1CCC1 ZINC001314629678 1070727908 /nfs/dbraw/zinc/72/79/08/1070727908.db2.gz RJJGOMWRGWKZAW-FQEVSTJZSA-N 1 0 489.462 3.639 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N(Cc2ccccc2)C[C@H]2CCCO2)nnc1C(C)(C)C ZINC001314630023 1070729329 /nfs/dbraw/zinc/72/93/29/1070729329.db2.gz VBHPNKRENNUKEB-RPWUZVMVSA-N 1 0 496.700 3.704 20 0 JHADRO CN(C)C(=O)c1cccc(CCn2c(N3CC[NH+](C4CCCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001314629971 1070729448 /nfs/dbraw/zinc/72/94/48/1070729448.db2.gz DLDQQZWZSBOXKE-UHFFFAOYSA-N 1 0 466.674 3.975 20 0 JHADRO CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1)C(C)C ZINC001313616696 1070740515 /nfs/dbraw/zinc/74/05/15/1070740515.db2.gz AGOVABLFPILZJB-UHFFFAOYSA-N 1 0 467.643 3.856 20 0 JHADRO CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001313614243 1070738014 /nfs/dbraw/zinc/73/80/14/1070738014.db2.gz PVXCUVKJSJXDIK-SBHAEUEKSA-N 1 0 493.743 3.700 20 0 JHADRO CN(C)C(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001314635690 1070739485 /nfs/dbraw/zinc/73/94/85/1070739485.db2.gz FAZDPSPZIMIITF-KRWDZBQOSA-N 1 0 463.001 3.528 20 0 JHADRO CN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1ccco1)[NH+](C)C)[C@@H]1CCSC1 ZINC001314647259 1070749295 /nfs/dbraw/zinc/74/92/95/1070749295.db2.gz OZFATFQPAPUQES-NVXWUHKLSA-N 1 0 479.448 3.884 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 ZINC001314647227 1070749400 /nfs/dbraw/zinc/74/94/00/1070749400.db2.gz ODUCHFGTFJBNIA-LJQANCHMSA-N 1 0 459.019 3.665 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001314646365 1070746980 /nfs/dbraw/zinc/74/69/80/1070746980.db2.gz BAWPVLHKSOBDMH-JIPXPUAJSA-N 1 0 491.640 3.870 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccsc1 ZINC001314646471 1070747058 /nfs/dbraw/zinc/74/70/58/1070747058.db2.gz CJYNUHSTPMVCKI-JPYJTQIMSA-N 1 0 490.580 3.613 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1)C1CC1 ZINC001314647028 1070748166 /nfs/dbraw/zinc/74/81/66/1070748166.db2.gz JPLRMNOFNKWWKB-IAGOWNOFSA-N 1 0 475.462 3.654 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(F)(F)F)CC1)c1ccc(F)cc1 ZINC001314647022 1070748251 /nfs/dbraw/zinc/74/82/51/1070748251.db2.gz JLVZHSRWZCHKHB-LJQANCHMSA-N 1 0 482.526 3.735 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C(F)(F)F)C1)C1CC1 ZINC001314647030 1070748339 /nfs/dbraw/zinc/74/83/39/1070748339.db2.gz JPLRMNOFNKWWKB-SJORKVTESA-N 1 0 475.462 3.654 20 0 JHADRO CN(C)C(=O)Nc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001314648337 1070751851 /nfs/dbraw/zinc/75/18/51/1070751851.db2.gz ZOYXOJFRRYGJLF-UHFFFAOYSA-N 1 0 478.645 3.973 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC001314650063 1070757966 /nfs/dbraw/zinc/75/79/66/1070757966.db2.gz YTZNYZZKTVQJOS-CTNGQTDRSA-N 1 0 459.038 3.811 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001314649081 1070754345 /nfs/dbraw/zinc/75/43/45/1070754345.db2.gz RGWLJHCPKSACGA-REWPJTCUSA-N 1 0 491.677 3.998 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)C1)c1ccsc1 ZINC001314649671 1070756817 /nfs/dbraw/zinc/75/68/17/1070756817.db2.gz XJLHSGBQSAHGMJ-HXUWFJFHSA-N 1 0 452.628 3.543 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001314649851 1070757574 /nfs/dbraw/zinc/75/75/74/1070757574.db2.gz DYWRTXFGOLQGGJ-KSEOMHKRSA-N 1 0 490.693 3.644 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(N)=O)CC1)c1ccsc1 ZINC001314653658 1070766482 /nfs/dbraw/zinc/76/64/82/1070766482.db2.gz DGWHGVBKLYDMLH-OAQYLSRUSA-N 1 0 488.608 3.603 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(F)(F)F)CC1)c1ccco1 ZINC001314653673 1070766538 /nfs/dbraw/zinc/76/65/38/1070766538.db2.gz GRHAHCHHCNERSW-MRXNPFEDSA-N 1 0 496.559 3.944 20 0 JHADRO CCN(CC(C)C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001313630193 1070760960 /nfs/dbraw/zinc/76/09/60/1070760960.db2.gz HBOCEFWRPQAPCB-PMACEKPBSA-N 1 0 490.649 3.965 20 0 JHADRO C[NH+](C)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC(F)(F)F)CC2)CCCCC1 ZINC001314653688 1070766774 /nfs/dbraw/zinc/76/67/74/1070766774.db2.gz NVRGQTHOQKASET-UHFFFAOYSA-N 1 0 470.584 3.947 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCO)Cc1ccccc1)C1CC1 ZINC001314652354 1070763003 /nfs/dbraw/zinc/76/30/03/1070763003.db2.gz HGQJCNQAHTXRIX-XPWALMASSA-N 1 0 455.647 3.536 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CCCC1 ZINC001314652800 1070764142 /nfs/dbraw/zinc/76/41/42/1070764142.db2.gz JKRINKZXTNIIRZ-QGZVFWFLSA-N 1 0 498.981 3.978 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)c1ccco1 ZINC001314652744 1070764182 /nfs/dbraw/zinc/76/41/82/1070764182.db2.gz WKVFSZKGLVAJKX-OKZBNKHCSA-N 1 0 471.524 3.616 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1)C1CCCCC1 ZINC001314652795 1070764275 /nfs/dbraw/zinc/76/42/75/1070764275.db2.gz WUGIOOXSWGWNKI-QFIPXVFZSA-N 1 0 456.683 3.885 20 0 JHADRO CCN(CC(C)C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCC(O)CC1 ZINC001313633661 1070764429 /nfs/dbraw/zinc/76/44/29/1070764429.db2.gz IZNRQNCAZURHCE-NRFANRHFSA-N 1 0 478.682 3.679 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001314652889 1070764758 /nfs/dbraw/zinc/76/47/58/1070764758.db2.gz JIOIWMQCFOSJRY-IPMKNSEASA-N 1 0 490.674 3.940 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C2CCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)c1ccccc1 ZINC001314653178 1070765222 /nfs/dbraw/zinc/76/52/22/1070765222.db2.gz XZWURFSABFIYHQ-LJQANCHMSA-N 1 0 468.543 3.871 20 0 JHADRO C[NH+](C)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1)C1CCCCC1 ZINC001314653303 1070765370 /nfs/dbraw/zinc/76/53/70/1070765370.db2.gz MGAAABZNZTZQON-BDTNDASRSA-N 1 0 490.693 3.786 20 0 JHADRO CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCOC1 ZINC001314653288 1070765391 /nfs/dbraw/zinc/76/53/91/1070765391.db2.gz LWSSMQBNNCOREJ-HSALFYBXSA-N 1 0 490.674 3.940 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313637398 1070775551 /nfs/dbraw/zinc/77/55/51/1070775551.db2.gz FWZVKCJKZUUIQI-HSZRJFAPSA-N 1 0 480.657 3.741 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCSC1 ZINC001314654101 1070767669 /nfs/dbraw/zinc/76/76/69/1070767669.db2.gz VOPPVDZTQLADHC-SIBVEZHUSA-N 1 0 484.714 3.772 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCSCC2)CCOCC1 ZINC001314654162 1070768155 /nfs/dbraw/zinc/76/81/55/1070768155.db2.gz WOXRPPJRZSDEEY-UHFFFAOYSA-N 1 0 456.443 3.916 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC001314654312 1070768466 /nfs/dbraw/zinc/76/84/66/1070768466.db2.gz FURSIWGQYCZAQY-HSZRJFAPSA-N 1 0 481.689 3.898 20 0 JHADRO CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC001309436314 1070769033 /nfs/dbraw/zinc/76/90/33/1070769033.db2.gz OXCGYHLCUBHNBT-QHCPKHFHSA-N 1 0 457.640 3.748 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1)c1cccs1 ZINC001314656564 1070775767 /nfs/dbraw/zinc/77/57/67/1070775767.db2.gz PXLGJMJMQMWMJX-WOJBJXKFSA-N 1 0 472.703 3.974 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)C1CC1 ZINC001314654702 1070769826 /nfs/dbraw/zinc/76/98/26/1070769826.db2.gz LECNFRSEEAXMON-ZJSXRUAMSA-N 1 0 495.590 3.770 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)c1cccc(F)c1 ZINC001314654938 1070770883 /nfs/dbraw/zinc/77/08/83/1070770883.db2.gz IZKFWKNUSDVTNJ-UGKGYDQZSA-N 1 0 470.637 3.804 20 0 JHADRO C[NH+](C)[C@H](Cn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1C(C)(C)C)c1cccc(F)c1 ZINC001314654900 1070770966 /nfs/dbraw/zinc/77/09/66/1070770966.db2.gz XVTZRLWSJVAWGL-JOCHJYFZSA-N 1 0 470.637 3.999 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccsc1 ZINC001314655587 1070772060 /nfs/dbraw/zinc/77/20/60/1070772060.db2.gz QTSHDCSVJFBQSN-IFMALSPDSA-N 1 0 466.655 3.520 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC001314655317 1070772194 /nfs/dbraw/zinc/77/21/94/1070772194.db2.gz OVLMYCXZTGNFIM-OALUTQOASA-N 1 0 460.648 3.698 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCN(CC(F)F)CC1)c1ccsc1 ZINC001314655306 1070772225 /nfs/dbraw/zinc/77/22/25/1070772225.db2.gz OPPPXXQTPHGVNR-OAQYLSRUSA-N 1 0 474.625 3.815 20 0 JHADRO C[NH+](C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1cccc(F)c1 ZINC001314655525 1070772540 /nfs/dbraw/zinc/77/25/40/1070772540.db2.gz MGJMJDUMQAFBLV-DHIUTWEWSA-N 1 0 466.605 3.957 20 0 JHADRO CCN(CC)C(=O)c1ccc(Cn2c(Cc3ccncc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC001313636469 1070772986 /nfs/dbraw/zinc/77/29/86/1070772986.db2.gz KSJWUCSTZXDZRB-VXKWHMMOSA-N 1 0 489.668 3.713 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccsc1 ZINC001314656088 1070773777 /nfs/dbraw/zinc/77/37/77/1070773777.db2.gz PACXRYCXGOXZMA-CVDCTZTESA-N 1 0 473.046 3.588 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCSC1 ZINC001314657410 1070776788 /nfs/dbraw/zinc/77/67/88/1070776788.db2.gz BSAWGLRBWHZLJT-CJFMBICVSA-N 1 0 492.734 3.942 20 0 JHADRO C[NH+](C)C1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCOCC2)CCCC1 ZINC001314658246 1070778839 /nfs/dbraw/zinc/77/88/39/1070778839.db2.gz VYEODNRRBMELGS-UHFFFAOYSA-N 1 0 454.402 3.875 20 0 JHADRO CCN(CC)C(=O)c1ccc(Cn2c(C3CCC3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001313638734 1070780120 /nfs/dbraw/zinc/78/01/20/1070780120.db2.gz WACOZWZTWLWNCK-UHFFFAOYSA-N 1 0 452.647 3.996 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001314662823 1070790042 /nfs/dbraw/zinc/79/00/42/1070790042.db2.gz JIHXVNUWEMKBGB-KBXCAEBGSA-N 1 0 465.429 3.555 20 0 JHADRO CN(Cc1cccc(C(F)(F)F)c1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C[NH+](C)C ZINC001314663040 1070790588 /nfs/dbraw/zinc/79/05/88/1070790588.db2.gz BMGXYNJGUNIECE-UHFFFAOYSA-N 1 0 466.552 3.757 20 0 JHADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)C[NH+](C)C ZINC001314663379 1070791598 /nfs/dbraw/zinc/79/15/98/1070791598.db2.gz SXUWXHPNPMGXNS-UHFFFAOYSA-N 1 0 477.097 3.981 20 0 JHADRO CN(Cc1cscn1)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C[NH+](C)C ZINC001314662485 1070786269 /nfs/dbraw/zinc/78/62/69/1070786269.db2.gz FKSWFMNLBKBNSH-UHFFFAOYSA-N 1 0 466.453 3.727 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCc2oncc2C1 ZINC001314665391 1070797084 /nfs/dbraw/zinc/79/70/84/1070797084.db2.gz AWXFYSKCGBDDQE-UHFFFAOYSA-N 1 0 489.418 3.758 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001314665421 1070797102 /nfs/dbraw/zinc/79/71/02/1070797102.db2.gz BKADDCLYWOMDDX-MHZLTWQESA-N 1 0 498.672 3.773 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCC2)c1 ZINC001314667781 1070802214 /nfs/dbraw/zinc/80/22/14/1070802214.db2.gz SSWYBDJKTFZZEN-OYRHEFFESA-N 1 0 454.619 3.759 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667579 1070802519 /nfs/dbraw/zinc/80/25/19/1070802519.db2.gz PSXQJNUJBQTNIW-HSZRJFAPSA-N 1 0 491.684 3.772 20 0 JHADRO CN(Cc1ccccc1N1CCCC1)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C[NH+](C)C ZINC001314667968 1070803032 /nfs/dbraw/zinc/80/30/32/1070803032.db2.gz MOTQVQGJSIUMSA-JOCHJYFZSA-N 1 0 454.663 3.997 20 0 JHADRO CN(C[C@@H]1CC=CCC1)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC(C)(C)C[NH+](C)C ZINC001314668147 1070804182 /nfs/dbraw/zinc/80/41/82/1070804182.db2.gz ORVDOIHRPDIIDP-LJQANCHMSA-N 1 0 463.630 3.572 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001314669772 1070809345 /nfs/dbraw/zinc/80/93/45/1070809345.db2.gz LBHNLQNTRPEAMM-FQEVSTJZSA-N 1 0 471.477 3.693 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(Cc3ccccc3F)nnc2N(C)CCC(F)(F)F)CC1 ZINC001314669293 1070807298 /nfs/dbraw/zinc/80/72/98/1070807298.db2.gz ACXTUYWMIOKYNJ-UHFFFAOYSA-N 1 0 470.559 3.670 20 0 JHADRO CC(C)(C)CC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)CC1 ZINC001309499832 1070812460 /nfs/dbraw/zinc/81/24/60/1070812460.db2.gz RNHSGKVFWFAJDM-UHFFFAOYSA-N 1 0 458.628 3.855 20 0 JHADRO CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CC[N@H+](Cc4ccccc4)C[C@H](C)C3)cc21 ZINC001309505334 1070815507 /nfs/dbraw/zinc/81/55/07/1070815507.db2.gz GBWUHRXJWOQXHV-VQTJNVASSA-N 1 0 455.624 3.689 20 0 JHADRO C[NH+](C)CCOc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)cc1 ZINC001314671679 1070815686 /nfs/dbraw/zinc/81/56/86/1070815686.db2.gz NQMIRZHZFYVNKO-VWNXMTODSA-N 1 0 485.673 3.749 20 0 JHADRO CN(C)CC[NH+]1CCC(Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001314672591 1070817284 /nfs/dbraw/zinc/81/72/84/1070817284.db2.gz UOLPAYYAVRTBIX-RUZDIDTESA-N 1 0 482.717 3.588 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001313650200 1070822125 /nfs/dbraw/zinc/82/21/25/1070822125.db2.gz HTWBLIZWANVEDP-UHFFFAOYSA-N 1 0 461.699 3.573 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001313650935 1070824321 /nfs/dbraw/zinc/82/43/21/1070824321.db2.gz VDOZBKDSXLQPDM-LJQANCHMSA-N 1 0 475.707 3.815 20 0 JHADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)cc1 ZINC001309522515 1070825811 /nfs/dbraw/zinc/82/58/11/1070825811.db2.gz PKQPHTAJKRYBPV-DEOSSOPVSA-N 1 0 457.640 3.999 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001313651450 1070826052 /nfs/dbraw/zinc/82/60/52/1070826052.db2.gz FNTRADJHIQNXJG-GOSISDBHSA-N 1 0 452.594 3.650 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001313651525 1070826960 /nfs/dbraw/zinc/82/69/60/1070826960.db2.gz GAKOHEAHXNNGSS-MQSCRBSSSA-N 1 0 468.646 3.883 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001313654430 1070838203 /nfs/dbraw/zinc/83/82/03/1070838203.db2.gz LHQBKMFJXBXAKH-NRFANRHFSA-N 1 0 471.650 3.551 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2cccc(F)c2)C1 ZINC001313652611 1070830462 /nfs/dbraw/zinc/83/04/62/1070830462.db2.gz WCXWWSFSKSQSHO-ICSRJNTNSA-N 1 0 465.577 3.789 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC001313654573 1070839551 /nfs/dbraw/zinc/83/95/51/1070839551.db2.gz QUGOYBAWHGCMSL-XMMPIXPASA-N 1 0 481.689 3.550 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(CC3CCCC3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001313655590 1070845217 /nfs/dbraw/zinc/84/52/17/1070845217.db2.gz QCXBPBNLAUOPGU-UHFFFAOYSA-N 1 0 473.710 3.859 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001313656021 1070847808 /nfs/dbraw/zinc/84/78/08/1070847808.db2.gz CVFNPYJSCVLFJL-GBESFXJTSA-N 1 0 475.707 3.902 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001313656023 1070848100 /nfs/dbraw/zinc/84/81/00/1070848100.db2.gz CVFNPYJSCVLFJL-IPMKNSEASA-N 1 0 475.707 3.902 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313656616 1070851157 /nfs/dbraw/zinc/85/11/57/1070851157.db2.gz KREVGRMEQJAHSV-CEXWTWQISA-N 1 0 476.597 3.564 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(F)F)C1 ZINC001313656801 1070851740 /nfs/dbraw/zinc/85/17/40/1070851740.db2.gz LQNLXJMJVSCEPA-WMZOPIPTSA-N 1 0 497.660 3.758 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313656753 1070852289 /nfs/dbraw/zinc/85/22/89/1070852289.db2.gz LDAIIWVCNREKEY-XJKSGUPXSA-N 1 0 493.372 3.544 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001313656876 1070853212 /nfs/dbraw/zinc/85/32/12/1070853212.db2.gz HDKLTWRDKKHFNW-WBVHZDCISA-N 1 0 465.429 3.793 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001313656838 1070853294 /nfs/dbraw/zinc/85/32/94/1070853294.db2.gz GLYZSGNOQLOKTN-MRXNPFEDSA-N 1 0 497.507 3.804 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001313657061 1070854064 /nfs/dbraw/zinc/85/40/64/1070854064.db2.gz IOCJBMPIIRALKS-NSHGMRRFSA-N 1 0 493.743 3.875 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313657831 1070857732 /nfs/dbraw/zinc/85/77/32/1070857732.db2.gz VKSDWCMVCLIBRQ-IRLDBZIGSA-N 1 0 492.672 3.807 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@H]1CCOC1 ZINC001313657886 1070857824 /nfs/dbraw/zinc/85/78/24/1070857824.db2.gz PEZDIEXSFOCVJJ-AEFFLSMTSA-N 1 0 450.425 3.971 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001313657949 1070858265 /nfs/dbraw/zinc/85/82/65/1070858265.db2.gz WABICGUPEJCOPN-GIYDNNGJSA-N 1 0 477.993 3.916 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001313658516 1070859799 /nfs/dbraw/zinc/85/97/99/1070859799.db2.gz ATYONWQAZWPQIW-FPOVZHCZSA-N 1 0 451.623 3.524 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001313659014 1070860496 /nfs/dbraw/zinc/86/04/96/1070860496.db2.gz GUVZEKAQXUTHTR-KKSFZXQISA-N 1 0 454.541 3.600 20 0 JHADRO CN(c1nnc(Cc2ccncc2)n1CC[S@](=O)C(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001314697158 1070860750 /nfs/dbraw/zinc/86/07/50/1070860750.db2.gz CNWLGWAFPYDUJI-DHUJRADRSA-N 1 0 494.709 3.912 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001313658844 1070861053 /nfs/dbraw/zinc/86/10/53/1070861053.db2.gz CSBWBENAHRUKPN-NVXWUHKLSA-N 1 0 462.023 3.758 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001313660838 1070866950 /nfs/dbraw/zinc/86/69/50/1070866950.db2.gz TYQAXJSGRIIRIW-IBGZPJMESA-N 1 0 479.629 3.679 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001313661584 1070868407 /nfs/dbraw/zinc/86/84/07/1070868407.db2.gz YDWXJYNVSBQLNS-PZJWPPBQSA-N 1 0 484.670 3.627 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001313661940 1070869299 /nfs/dbraw/zinc/86/92/99/1070869299.db2.gz LBOIBQFUJIPQHX-IERDGZPVSA-N 1 0 476.000 3.779 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313661860 1070869355 /nfs/dbraw/zinc/86/93/55/1070869355.db2.gz JRMNTFIAJRXPID-YFVAEKQCSA-N 1 0 471.650 3.728 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001313661888 1070869673 /nfs/dbraw/zinc/86/96/73/1070869673.db2.gz KFUOMZKHXDXCEO-QFIPXVFZSA-N 1 0 481.689 3.998 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccco1)c1ccsc1 ZINC001313663496 1070872190 /nfs/dbraw/zinc/87/21/90/1070872190.db2.gz DOPXHSCWSUJYCA-FQEVSTJZSA-N 1 0 456.616 3.888 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313663072 1070871434 /nfs/dbraw/zinc/87/14/34/1070871434.db2.gz GBMQPNMBCSEPKG-XUVXKRRUSA-N 1 0 464.655 3.744 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001309593519 1070874430 /nfs/dbraw/zinc/87/44/30/1070874430.db2.gz LYLZKOZBCNZJNW-OXQOHEQNSA-N 1 0 460.493 3.660 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001313664152 1070874930 /nfs/dbraw/zinc/87/49/30/1070874930.db2.gz MUUMTFJQSNSSSQ-OALUTQOASA-N 1 0 477.600 3.669 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@H]1C)c1ccco1 ZINC001313664277 1070876206 /nfs/dbraw/zinc/87/62/06/1070876206.db2.gz MDUUODIDUKBWMS-GUDVDZBRSA-N 1 0 451.575 3.836 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001313664295 1070876273 /nfs/dbraw/zinc/87/62/73/1070876273.db2.gz AFHDCRHBWZESNU-FUHWJXTLSA-N 1 0 480.629 3.872 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1)c1ccccc1 ZINC001313665214 1070879647 /nfs/dbraw/zinc/87/96/47/1070879647.db2.gz QGSXKWHDLUFSLL-UPVQGACJSA-N 1 0 450.635 3.795 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001313665497 1070880343 /nfs/dbraw/zinc/88/03/43/1070880343.db2.gz COFACYGRADJSLT-LJCDUQBNSA-N 1 0 477.675 3.760 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ccccn2)CC1 ZINC001313665445 1070880382 /nfs/dbraw/zinc/88/03/82/1070880382.db2.gz FDUPWETYSYWAIS-FQEVSTJZSA-N 1 0 468.049 3.974 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001313666021 1070882350 /nfs/dbraw/zinc/88/23/50/1070882350.db2.gz FUZXBQXZRCTELG-PPGORRQASA-N 1 0 490.693 3.784 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C)C1)c1ccccc1 ZINC001313666263 1070882970 /nfs/dbraw/zinc/88/29/70/1070882970.db2.gz VONBBUJJDRNHKS-FPOVZHCZSA-N 1 0 479.654 3.950 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(F)cc1)c1ccco1 ZINC001313666427 1070884098 /nfs/dbraw/zinc/88/40/98/1070884098.db2.gz WNABBWPHAHHIJC-OAQYLSRUSA-N 1 0 468.577 3.966 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](OC)C(C)(C)C1)c1ccsc1 ZINC001313666466 1070884185 /nfs/dbraw/zinc/88/41/85/1070884185.db2.gz XEPSLADIHAYEAQ-PMACEKPBSA-N 1 0 497.669 3.931 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(C)c3ccccc3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313666566 1070885202 /nfs/dbraw/zinc/88/52/02/1070885202.db2.gz HBSINPZISRKJBQ-LVXARBLLSA-N 1 0 470.662 3.505 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001313666761 1070886335 /nfs/dbraw/zinc/88/63/35/1070886335.db2.gz JNECCVKNDFOMNN-REWPJTCUSA-N 1 0 480.661 3.946 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314709760 1070886530 /nfs/dbraw/zinc/88/65/30/1070886530.db2.gz IEXKXFNSRDSIKJ-NQIIRXRSSA-N 1 0 498.653 3.506 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313667928 1070890884 /nfs/dbraw/zinc/89/08/84/1070890884.db2.gz MMXCZRVPVIAFNI-NJDAHSKKSA-N 1 0 476.710 3.622 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001313668359 1070891556 /nfs/dbraw/zinc/89/15/56/1070891556.db2.gz PRVDRRDMYVJTOI-IEBWSBKVSA-N 1 0 464.705 3.578 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC001313668803 1070892650 /nfs/dbraw/zinc/89/26/50/1070892650.db2.gz SJWMSZZINGLYBC-FHAGJXEFSA-N 1 0 459.610 3.513 20 0 JHADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(CC2CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314711799 1070892981 /nfs/dbraw/zinc/89/29/81/1070892981.db2.gz KPXXRMVNDCXYAK-LJQANCHMSA-N 1 0 474.581 3.948 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](O)(c2ccccc2F)C1 ZINC001313669059 1070893555 /nfs/dbraw/zinc/89/35/55/1070893555.db2.gz AKEWMXATQMXQMD-BXKMTCNYSA-N 1 0 472.634 3.601 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(-c2cccnc2)n1CC1([NH+](C)C)CCC1 ZINC001314711822 1070893530 /nfs/dbraw/zinc/89/35/30/1070893530.db2.gz LEPAAUNQPPQGKX-UHFFFAOYSA-N 1 0 453.978 3.553 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001313669077 1070894102 /nfs/dbraw/zinc/89/41/02/1070894102.db2.gz ASPIZBYSZLELTP-KRWDZBQOSA-N 1 0 457.648 3.910 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C(C)C)C1)c1ccsc1 ZINC001313671391 1070899713 /nfs/dbraw/zinc/89/97/13/1070899713.db2.gz IJKXLVKJGMUJTB-LEWJYISDSA-N 1 0 455.632 3.741 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(C)=O)C1)c1ccco1 ZINC001313671616 1070900306 /nfs/dbraw/zinc/90/03/06/1070900306.db2.gz ATLWGIIBMZQZMC-WOJBJXKFSA-N 1 0 454.575 3.628 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCOC(C)(C)[C@H]1C)c1ccsc1 ZINC001313671751 1070901062 /nfs/dbraw/zinc/90/10/62/1070901062.db2.gz KVTAIILORKODAC-XLIONFOSSA-N 1 0 457.648 3.827 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCOC(C)(C)[C@@H]1C)c1ccsc1 ZINC001313672397 1070903459 /nfs/dbraw/zinc/90/34/59/1070903459.db2.gz NJYLBMWRTRJHEI-PXNSSMCTSA-N 1 0 455.632 3.883 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1)c1ccccc1 ZINC001313672592 1070903797 /nfs/dbraw/zinc/90/37/97/1070903797.db2.gz GUFCDCHLEBEANP-QFIPXVFZSA-N 1 0 459.660 3.607 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313672762 1070904740 /nfs/dbraw/zinc/90/47/40/1070904740.db2.gz AWBFCDOHHUKANF-NBGIEHNGSA-N 1 0 458.651 3.553 20 0 JHADRO CN(CC(C)(C)C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCC(=O)N1CCCCC1 ZINC001314714983 1070904839 /nfs/dbraw/zinc/90/48/39/1070904839.db2.gz COZGBPGIELZBLS-UHFFFAOYSA-N 1 0 495.716 3.528 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C)C1)c1ccco1 ZINC001313672934 1070905820 /nfs/dbraw/zinc/90/58/20/1070905820.db2.gz BZKIPOVYALAICA-MSOLQXFVSA-N 1 0 488.683 3.887 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 ZINC001313674052 1070909993 /nfs/dbraw/zinc/90/99/93/1070909993.db2.gz MJCXKAXRRCEPGI-QHCPKHFHSA-N 1 0 464.614 3.988 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCO[C@@H](C)C1)c1ccccc1 ZINC001313674081 1070910032 /nfs/dbraw/zinc/91/00/32/1070910032.db2.gz IFKOVFFGBHITAD-XGAJZPNHSA-N 1 0 471.646 3.700 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(N2CCC(N3CCNC3=O)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001313673599 1070907974 /nfs/dbraw/zinc/90/79/74/1070907974.db2.gz FEWIAWBYROUVBX-QFIPXVFZSA-N 1 0 467.662 3.653 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C2CCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC001313674321 1070911261 /nfs/dbraw/zinc/91/12/61/1070911261.db2.gz USOKEJMEUBQTKY-NRFANRHFSA-N 1 0 494.731 3.550 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCS[C@@H](C)[C@H]1C)c1ccsc1 ZINC001313674879 1070914127 /nfs/dbraw/zinc/91/41/27/1070914127.db2.gz MASCRVYXFAJGNB-WSTZPKSXSA-N 1 0 476.716 3.875 20 0 JHADRO CN(CC(F)(F)F)c1nnc([C@H]2CCCCO2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001314720802 1070916405 /nfs/dbraw/zinc/91/64/05/1070916405.db2.gz VYWOJKAFHOZXFZ-WOJBJXKFSA-N 1 0 467.536 3.809 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccsc1 ZINC001313675583 1070917339 /nfs/dbraw/zinc/91/73/39/1070917339.db2.gz QFZOJPFSNSXZAC-NHCUHLMSSA-N 1 0 488.702 3.969 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccsc1 ZINC001313675592 1070917387 /nfs/dbraw/zinc/91/73/87/1070917387.db2.gz UNJYPOABCDDYRT-XMSQKQJNSA-N 1 0 482.654 3.765 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 ZINC001313675922 1070918658 /nfs/dbraw/zinc/91/86/58/1070918658.db2.gz WGIMUMNRHJKOBS-OAQYLSRUSA-N 1 0 470.618 3.931 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 ZINC001313676595 1070922152 /nfs/dbraw/zinc/92/21/52/1070922152.db2.gz YAYIOHLFQNIVQH-XZOQPEGZSA-N 1 0 468.646 3.565 20 0 JHADRO CN(Cc1cc(Cl)ccn1)c1nnc([C@@H]2CCCCO2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314723136 1070923334 /nfs/dbraw/zinc/92/33/34/1070923334.db2.gz MUJDVQDWIARCSJ-GHTZIAJQSA-N 1 0 451.040 3.642 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)F)CC1)c1ccsc1 ZINC001313677130 1070924513 /nfs/dbraw/zinc/92/45/13/1070924513.db2.gz ICBZJTKIPFDGBJ-AZUAARDMSA-N 1 0 482.645 3.704 20 0 JHADRO CN(Cc1cc(F)c(F)c(F)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314724865 1070927006 /nfs/dbraw/zinc/92/70/06/1070927006.db2.gz UAZMLPIBCZANHY-FQEVSTJZSA-N 1 0 478.563 3.938 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314725476 1070929838 /nfs/dbraw/zinc/92/98/38/1070929838.db2.gz MTONRYWUVXBXGU-GDBMZVCRSA-N 1 0 464.364 3.670 20 0 JHADRO CN(Cc1ccc(Br)o1)c1nnc(-c2cnccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314725641 1070930598 /nfs/dbraw/zinc/93/05/98/1070930598.db2.gz IGEMWIHMQHZQCV-QGZVFWFLSA-N 1 0 474.407 3.847 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccco1 ZINC001313678882 1070932231 /nfs/dbraw/zinc/93/22/31/1070932231.db2.gz OZBKRQDNUPEARX-SJLPKXTDSA-N 1 0 495.550 3.847 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1)c1ccccc1 ZINC001313680237 1070938419 /nfs/dbraw/zinc/93/84/19/1070938419.db2.gz SHRMBGWRSPXUPG-BKMJKUGQSA-N 1 0 455.647 3.946 20 0 JHADRO CN(Cc1ccc(Cl)c(F)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314728183 1070940928 /nfs/dbraw/zinc/94/09/28/1070940928.db2.gz PEVBCRUEOFCTBN-LJQANCHMSA-N 1 0 471.968 3.695 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1)c1ccccc1 ZINC001313681557 1070941378 /nfs/dbraw/zinc/94/13/78/1070941378.db2.gz XENIMWTXSFCIBN-FGZHOGPDSA-N 1 0 467.618 3.829 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccsc1 ZINC001313681776 1070941885 /nfs/dbraw/zinc/94/18/85/1070941885.db2.gz ZSFCEQRHWIDCIE-DENIHFKCSA-N 1 0 496.681 3.689 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCSC2)CC1 ZINC001313691208 1070950746 /nfs/dbraw/zinc/95/07/46/1070950746.db2.gz DPNFUVCKGKPBQJ-HOYKHHGWSA-N 1 0 477.650 3.736 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001313691470 1070950856 /nfs/dbraw/zinc/95/08/56/1070950856.db2.gz NAGKLHKRKGXWOE-MUUNZHRXSA-N 1 0 499.700 3.905 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)NC(C)C)CC1 ZINC001313691725 1070951941 /nfs/dbraw/zinc/95/19/41/1070951941.db2.gz VHWHSMXISANRPO-NRFANRHFSA-N 1 0 470.662 3.870 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)C(C)(C)C)CC1 ZINC001313695033 1070958665 /nfs/dbraw/zinc/95/86/65/1070958665.db2.gz ZYXMTZVFIHNBNH-UHFFFAOYSA-N 1 0 479.673 3.823 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 ZINC001313693795 1070955369 /nfs/dbraw/zinc/95/53/69/1070955369.db2.gz OIGBOPJPIXTFSZ-OFNKIYASSA-N 1 0 476.065 3.884 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001313694150 1070956598 /nfs/dbraw/zinc/95/65/98/1070956598.db2.gz DYICFVCKFNTAHI-PZJWPPBQSA-N 1 0 478.682 3.642 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 ZINC001313695911 1070961308 /nfs/dbraw/zinc/96/13/08/1070961308.db2.gz RQFWWCIVCFAEDH-UHFFFAOYSA-N 1 0 473.687 3.861 20 0 JHADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314736234 1070962479 /nfs/dbraw/zinc/96/24/79/1070962479.db2.gz FMWSLLLXHOZFSQ-PKOBYXMFSA-N 1 0 461.513 3.916 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001313696132 1070962528 /nfs/dbraw/zinc/96/25/28/1070962528.db2.gz FBUNRFQACMFQBC-UHFFFAOYSA-N 1 0 477.657 3.985 20 0 JHADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314736615 1070963831 /nfs/dbraw/zinc/96/38/31/1070963831.db2.gz JDTANJZVVCGXPK-SFHVURJKSA-N 1 0 451.562 3.660 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOC)CCCCC2)CC1 ZINC001313697206 1070965868 /nfs/dbraw/zinc/96/58/68/1070965868.db2.gz WFKVIQVEEGZERF-OAQYLSRUSA-N 1 0 460.667 3.527 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2cn[nH]c2)CC1 ZINC001313697270 1070965894 /nfs/dbraw/zinc/96/58/94/1070965894.db2.gz LBUHZXBDGQAHGN-UHFFFAOYSA-N 1 0 451.619 3.750 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCS2)CC1 ZINC001313697373 1070966306 /nfs/dbraw/zinc/96/63/06/1070966306.db2.gz NMIMWTQFMRSGOR-IBGZPJMESA-N 1 0 476.716 3.866 20 0 JHADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(CC2CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314737432 1070966482 /nfs/dbraw/zinc/96/64/82/1070966482.db2.gz MSNFSCTWQZMEOL-PLTNMMHCSA-N 1 0 457.669 3.969 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccn(C)n2)CC1 ZINC001313697358 1070966337 /nfs/dbraw/zinc/96/63/37/1070966337.db2.gz NDCPYLFRUAPPMR-UHFFFAOYSA-N 1 0 458.010 3.603 20 0 JHADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc(Cc2ccncc2)n1CC[N@H+]1CC=CCC1 ZINC001314737525 1070967086 /nfs/dbraw/zinc/96/70/86/1070967086.db2.gz SCTQQFQJJFJYES-UHFFFAOYSA-N 1 0 454.525 3.764 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001313697676 1070967530 /nfs/dbraw/zinc/96/75/30/1070967530.db2.gz NTLUGHHEKWCJCO-OAQYLSRUSA-N 1 0 498.672 3.531 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC[C@H](C)C2)CC1 ZINC001313698863 1070971774 /nfs/dbraw/zinc/97/17/74/1070971774.db2.gz OHFKNOXABOKMTR-PMACEKPBSA-N 1 0 488.627 3.574 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001313699038 1070972582 /nfs/dbraw/zinc/97/25/82/1070972582.db2.gz QYXXMDMDXVBJGI-VWNXMTODSA-N 1 0 496.700 3.901 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](OC)C(C)C)CC1 ZINC001313700011 1070975817 /nfs/dbraw/zinc/97/58/17/1070975817.db2.gz SGBOXINOHZDSOJ-XMMPIXPASA-N 1 0 498.716 3.904 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 ZINC001313699633 1070974681 /nfs/dbraw/zinc/97/46/81/1070974681.db2.gz FCZGDBARYMUDIJ-MRJKTFCFSA-N 1 0 496.700 3.789 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCC(C)(C)C2CC2)CC1 ZINC001313699852 1070975463 /nfs/dbraw/zinc/97/54/63/1070975463.db2.gz QBSQIUHEYLMDQK-UHFFFAOYSA-N 1 0 452.647 3.762 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCOC2)C1 ZINC001313701235 1070980068 /nfs/dbraw/zinc/98/00/68/1070980068.db2.gz CYZADUIZUKJXNG-AOMKIAJQSA-N 1 0 468.429 3.571 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](C(N)=O)C2)c1 ZINC001313700325 1070976761 /nfs/dbraw/zinc/97/67/61/1070976761.db2.gz RWCBDSFFVJCEIM-OAQYLSRUSA-N 1 0 482.032 3.585 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)C[C@@H](C)C2)c1 ZINC001313700739 1070978088 /nfs/dbraw/zinc/97/80/88/1070978088.db2.gz ZIKSKBJCDQHXGC-NHCUHLMSSA-N 1 0 452.647 3.887 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccn(C)n2)C1 ZINC001313703514 1070986738 /nfs/dbraw/zinc/98/67/38/1070986738.db2.gz XXTGRTWKZADAGF-KRWDZBQOSA-N 1 0 458.010 3.557 20 0 JHADRO C[N@H+](Cc1ccccc1)[C@@H](Cn1c(N2CCC[C@H](CC(N)=O)C2)nnc1C(C)(C)C)C1CC1 ZINC001314744837 1070987031 /nfs/dbraw/zinc/98/70/31/1070987031.db2.gz QIOPQNQFDAGGHE-IRLDBZIGSA-N 1 0 452.647 3.578 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](OC(C)(C)C)C2)cc1 ZINC001313703930 1070989271 /nfs/dbraw/zinc/98/92/71/1070989271.db2.gz IKFULSGPKRFKOY-XZOQPEGZSA-N 1 0 482.673 3.903 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(C)cc(C)cc2C)C1 ZINC001313704594 1070991215 /nfs/dbraw/zinc/99/12/15/1070991215.db2.gz KOKMBMNMAOMYKT-QFIPXVFZSA-N 1 0 452.647 3.656 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001313704676 1070991712 /nfs/dbraw/zinc/99/17/12/1070991712.db2.gz ZTSGORXJHQDHHY-VXKWHMMOSA-N 1 0 465.646 3.643 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCCCC1 ZINC001313705081 1070993148 /nfs/dbraw/zinc/99/31/48/1070993148.db2.gz QKSSMQSOCXZTRO-QFIPXVFZSA-N 1 0 473.687 3.839 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(C(C)C)nnc2N2CCCN(Cc3noc(C)n3)CC2)cc1 ZINC001313704923 1070992428 /nfs/dbraw/zinc/99/24/28/1070992428.db2.gz NPERZUGZFRCCCO-UHFFFAOYSA-N 1 0 480.661 3.695 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC(F)(F)CO2)C1 ZINC001313705547 1070993674 /nfs/dbraw/zinc/99/36/74/1070993674.db2.gz DOXQGKKOXAZFEE-HOCLYGCPSA-N 1 0 487.393 3.628 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC(F)(F)CO2)C1 ZINC001313705548 1070994254 /nfs/dbraw/zinc/99/42/54/1070994254.db2.gz DOXQGKKOXAZFEE-ZBFHGGJFSA-N 1 0 487.393 3.628 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(OC3CCOCC3)c2)C1 ZINC001313705563 1070994430 /nfs/dbraw/zinc/99/44/30/1070994430.db2.gz DVIMSDYBPGSAFD-NRFANRHFSA-N 1 0 470.662 3.745 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC(=O)Nc2c(C)cccc2C)C1 ZINC001313707483 1070998174 /nfs/dbraw/zinc/99/81/74/1070998174.db2.gz NEXWEDPXNSOSKY-NRFANRHFSA-N 1 0 463.630 3.707 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCC(=O)NC(C)C)C1 ZINC001313707332 1070998261 /nfs/dbraw/zinc/99/82/61/1070998261.db2.gz MCYAGRLLBKQOBZ-SFHVURJKSA-N 1 0 491.478 3.790 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001313707840 1070998790 /nfs/dbraw/zinc/99/87/90/1070998790.db2.gz SPYJZKRZNMAIOU-WOJBJXKFSA-N 1 0 464.580 3.997 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCc2ccnc(C(C)(C)C)n2)C1 ZINC001313707939 1070998872 /nfs/dbraw/zinc/99/88/72/1070998872.db2.gz VXFBUMSVRDPLRX-FQEVSTJZSA-N 1 0 477.661 3.624 20 0 JHADRO C[N@@H+](Cc1ccccc1)CC1CCN(c2nnc(C(C)(C)C)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001314749299 1070999526 /nfs/dbraw/zinc/99/95/26/1070999526.db2.gz PCDVRNIVUJZJMZ-UHFFFAOYSA-N 1 0 487.714 3.749 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001313709027 1071000988 /nfs/dbraw/zinc/00/09/88/1071000988.db2.gz FMBIGLGBWJVFCS-AZUAARDMSA-N 1 0 483.642 3.685 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2cccc(C)c2)C1 ZINC001313709178 1071001644 /nfs/dbraw/zinc/00/16/44/1071001644.db2.gz HRYFRAHNVSZGMD-FGZHOGPDSA-N 1 0 452.647 3.681 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001313710029 1071003172 /nfs/dbraw/zinc/00/31/72/1071003172.db2.gz HNCTYKIMMQHWFI-BHIFYINESA-N 1 0 490.693 3.597 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001313710040 1071003345 /nfs/dbraw/zinc/00/33/45/1071003345.db2.gz HNTFOSHDPXMLSH-JKSUJKDBSA-N 1 0 472.581 3.668 20 0 JHADRO CN(Cc1ccccn1)c1nnc(-c2cc(Br)cn2C)n1CCC[NH+]1CCCCC1 ZINC001314751595 1071004319 /nfs/dbraw/zinc/00/43/19/1071004319.db2.gz ZMOMYRNXVDPTKD-UHFFFAOYSA-N 1 0 472.435 3.954 20 0 JHADRO CN(Cc1ccccc1Cl)c1nnc(Cc2ccccn2)n1CCCC[NH+]1CCOCC1 ZINC001314753326 1071006261 /nfs/dbraw/zinc/00/62/61/1071006261.db2.gz WWGKAJXBODXXFQ-UHFFFAOYSA-N 1 0 455.006 3.666 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001313711387 1071006372 /nfs/dbraw/zinc/00/63/72/1071006372.db2.gz MJXMGEVELHDJCT-RTBURBONSA-N 1 0 467.536 3.897 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccn1 ZINC001313712738 1071009340 /nfs/dbraw/zinc/00/93/40/1071009340.db2.gz VXVPYZNGQARABN-UHFFFAOYSA-N 1 0 460.424 3.809 20 0 JHADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001313712046 1071007385 /nfs/dbraw/zinc/00/73/85/1071007385.db2.gz QXBXVMFGWJCTOG-OAQYLSRUSA-N 1 0 498.031 3.889 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001313712737 1071009461 /nfs/dbraw/zinc/00/94/61/1071009461.db2.gz VXGSOYOKOQMEPG-LJQANCHMSA-N 1 0 459.982 3.600 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313712595 1071008926 /nfs/dbraw/zinc/00/89/26/1071008926.db2.gz UJNZQWVYYGELLS-GOSISDBHSA-N 1 0 494.482 3.509 20 0 JHADRO CN(Cc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314755335 1071008923 /nfs/dbraw/zinc/00/89/23/1071008923.db2.gz VDPMIXWYWXJPFM-FQEVSTJZSA-N 1 0 451.575 3.665 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001313713366 1071010398 /nfs/dbraw/zinc/01/03/98/1071010398.db2.gz ZJQMHDRSHMVEBW-SFHVURJKSA-N 1 0 468.577 3.952 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(OC)nc2)C1 ZINC001313714026 1071011232 /nfs/dbraw/zinc/01/12/32/1071011232.db2.gz VPHHYUJZGPSYKK-NRFANRHFSA-N 1 0 452.578 3.628 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccc3C)n2Cc2ncccc2N(C)C)C1 ZINC001313713795 1071011265 /nfs/dbraw/zinc/01/12/65/1071011265.db2.gz UXJNKCKGVLEVQF-JOCHJYFZSA-N 1 0 461.658 3.855 20 0 JHADRO COc1cccc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1OC ZINC001309916264 1071016067 /nfs/dbraw/zinc/01/60/67/1071016067.db2.gz VSFMTMPTWZSRHY-FCHUYYIVSA-N 1 0 452.576 3.650 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001313716230 1071016188 /nfs/dbraw/zinc/01/61/88/1071016188.db2.gz PWAQJJZKFCXVTG-UHFFFAOYSA-N 1 0 486.665 3.550 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)C1 ZINC001313716620 1071016647 /nfs/dbraw/zinc/01/66/47/1071016647.db2.gz UXMKPOLBUQKYNX-IBGZPJMESA-N 1 0 451.619 3.814 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313717416 1071016927 /nfs/dbraw/zinc/01/69/27/1071016927.db2.gz PKPHCPFXCYKELN-RDGATRHJSA-N 1 0 457.619 3.918 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313717417 1071017042 /nfs/dbraw/zinc/01/70/42/1071017042.db2.gz PKPHCPFXCYKELN-WIOPSUGQSA-N 1 0 457.619 3.918 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cccn2C)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001313717505 1071017276 /nfs/dbraw/zinc/01/72/76/1071017276.db2.gz FPCDHTIWTMKDQY-UHFFFAOYSA-N 1 0 457.022 3.858 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001313718002 1071017817 /nfs/dbraw/zinc/01/78/17/1071017817.db2.gz IGZIHNXBFIOMSY-GOSISDBHSA-N 1 0 496.487 3.932 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001313718275 1071018316 /nfs/dbraw/zinc/01/83/16/1071018316.db2.gz QBBVCHRBDVNVHL-FQEVSTJZSA-N 1 0 468.646 3.799 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313718351 1071018886 /nfs/dbraw/zinc/01/88/86/1071018886.db2.gz XOLNWSAVRGUKJK-SFHVURJKSA-N 1 0 461.479 3.647 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001313722006 1071025717 /nfs/dbraw/zinc/02/57/17/1071025717.db2.gz VRNCHDMPMJOXLJ-GOSISDBHSA-N 1 0 491.478 3.743 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001313720890 1071022010 /nfs/dbraw/zinc/02/20/10/1071022010.db2.gz UHCOBXVWBONZSW-LNRXMEIDSA-N 1 0 490.693 3.929 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001313722327 1071026314 /nfs/dbraw/zinc/02/63/14/1071026314.db2.gz WDDZYGZDLDBPEI-SQNIBIBYSA-N 1 0 480.451 3.678 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001313721227 1071023426 /nfs/dbraw/zinc/02/34/26/1071023426.db2.gz IGVDWBZLWAKSBQ-NRSPTQNISA-N 1 0 457.619 3.555 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001313722235 1071026361 /nfs/dbraw/zinc/02/63/61/1071026361.db2.gz SNHVEQXARUJAPI-GOSISDBHSA-N 1 0 484.674 3.561 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001313721789 1071025196 /nfs/dbraw/zinc/02/51/96/1071025196.db2.gz RFAKBXOKMZBCGE-GOSISDBHSA-N 1 0 487.052 3.846 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001313723269 1071028780 /nfs/dbraw/zinc/02/87/80/1071028780.db2.gz FWEGQJHVVFMKHO-GOSISDBHSA-N 1 0 479.044 3.962 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 ZINC001313723526 1071028814 /nfs/dbraw/zinc/02/88/14/1071028814.db2.gz RHSNNLXLZJBXPA-XXBNENTESA-N 1 0 450.587 3.657 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(COC)CC1 ZINC001313724240 1071029752 /nfs/dbraw/zinc/02/97/52/1071029752.db2.gz MSCVUEMCTKYQOR-OAHLLOKOSA-N 1 0 453.429 3.629 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC(=O)NC(C)C ZINC001313724346 1071030502 /nfs/dbraw/zinc/03/05/02/1071030502.db2.gz RQWKDBNCJQJLPI-ZWKOTPCHSA-N 1 0 460.692 3.823 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001313722506 1071026710 /nfs/dbraw/zinc/02/67/10/1071026710.db2.gz CYZRRTTZXVKNSK-GCJKJVERSA-N 1 0 459.635 3.944 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCC[C@@H](COC)C1 ZINC001313724563 1071031086 /nfs/dbraw/zinc/03/10/86/1071031086.db2.gz XLRNVLFCBDXVDT-RTBURBONSA-N 1 0 467.618 3.577 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001313723545 1071028639 /nfs/dbraw/zinc/02/86/39/1071028639.db2.gz HTSDLWSJDICGDR-JOCHJYFZSA-N 1 0 466.674 3.889 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313725639 1071033094 /nfs/dbraw/zinc/03/30/94/1071033094.db2.gz NEKFCDCEFKVCAZ-ANULTFPQSA-N 1 0 478.682 3.990 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC001313725692 1071033721 /nfs/dbraw/zinc/03/37/21/1071033721.db2.gz OOQJBUDAOGZPMA-KNKQGSTJSA-N 1 0 457.619 3.871 20 0 JHADRO CN(Cc1cscn1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314770901 1071034442 /nfs/dbraw/zinc/03/44/42/1071034442.db2.gz JEMBOUORRCPDBS-UHFFFAOYSA-N 1 0 488.683 3.564 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(C(=O)N2CCCC2)n1CC[N@H+](C)C1CCCC1 ZINC001313726634 1071035189 /nfs/dbraw/zinc/03/51/89/1071035189.db2.gz OAZIDJFMWSPFIK-UHFFFAOYSA-N 1 0 460.573 3.693 20 0 JHADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001309976946 1071035593 /nfs/dbraw/zinc/03/55/93/1071035593.db2.gz RZBBLEFRIBBQRP-QFIPXVFZSA-N 1 0 450.587 3.883 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCOC3(C2)CCCCCC3)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313726798 1071035649 /nfs/dbraw/zinc/03/56/49/1071035649.db2.gz QFRWZGHXEVQWIF-ATIYNZHBSA-N 1 0 477.694 3.979 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(c3cc(C)ccc3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313727080 1071036152 /nfs/dbraw/zinc/03/61/52/1071036152.db2.gz WGWBYKPGKZLYRS-UFHPHHKVSA-N 1 0 498.716 3.992 20 0 JHADRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001309980481 1071037274 /nfs/dbraw/zinc/03/72/74/1071037274.db2.gz MBYHJGLENGVVIS-NRFANRHFSA-N 1 0 458.628 3.703 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001313729520 1071042203 /nfs/dbraw/zinc/04/22/03/1071042203.db2.gz ZHULCCWAAUWIHK-QFIPXVFZSA-N 1 0 475.597 3.897 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001313727682 1071037662 /nfs/dbraw/zinc/03/76/62/1071037662.db2.gz YTDMLSMYONLVJU-QZTJIDSGSA-N 1 0 456.616 3.587 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001313727691 1071037671 /nfs/dbraw/zinc/03/76/71/1071037671.db2.gz YZWFSODIDITZAZ-AKFKNWHVSA-N 1 0 496.700 3.982 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001313728151 1071038648 /nfs/dbraw/zinc/03/86/48/1071038648.db2.gz PQPRDCDHVKIUNT-QGZVFWFLSA-N 1 0 472.600 3.636 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC2CC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001313728328 1071039258 /nfs/dbraw/zinc/03/92/58/1071039258.db2.gz QTZWMBGTMHZJJM-LJQANCHMSA-N 1 0 453.635 3.519 20 0 JHADRO CCC[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001309990798 1071040829 /nfs/dbraw/zinc/04/08/29/1071040829.db2.gz AKZXAFFQJAGXIR-JOCHJYFZSA-N 1 0 456.612 3.646 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001313729020 1071041056 /nfs/dbraw/zinc/04/10/56/1071041056.db2.gz SNNXPMOEJKRBRT-NRFANRHFSA-N 1 0 492.672 3.671 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccccn2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314775329 1071045881 /nfs/dbraw/zinc/04/58/81/1071045881.db2.gz KGVFSGJBHKYFQA-QGZVFWFLSA-N 1 0 471.034 3.652 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313734161 1071053488 /nfs/dbraw/zinc/05/34/88/1071053488.db2.gz MHMBESPUNYHPCK-TZIWHRDSSA-N 1 0 491.677 3.856 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001313734184 1071053738 /nfs/dbraw/zinc/05/37/38/1071053738.db2.gz MRLHRWRCNNLOAP-LJQANCHMSA-N 1 0 452.578 3.782 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001313733651 1071052555 /nfs/dbraw/zinc/05/25/55/1071052555.db2.gz HTHVORWFNIXKLW-FYYLOGMGSA-N 1 0 459.610 3.695 20 0 JHADRO C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001310018839 1071063421 /nfs/dbraw/zinc/06/34/21/1071063421.db2.gz HPLVCTAXOIXLKV-YLJYHZDGSA-N 1 0 453.553 3.795 20 0 JHADRO CN(CC1CC(F)C1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCCC1 ZINC001314786275 1071063613 /nfs/dbraw/zinc/06/36/13/1071063613.db2.gz UYDFGXLDTKPKGC-CBNMVNINSA-N 1 0 494.656 3.647 20 0 JHADRO CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CCC([NH2+]C3CCC3)CC2)cc1 ZINC001310015278 1071059570 /nfs/dbraw/zinc/05/95/70/1071059570.db2.gz JVFZKIYJTZZPAK-UHFFFAOYSA-N 1 0 456.612 3.646 20 0 JHADRO CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC001310015397 1071059579 /nfs/dbraw/zinc/05/95/79/1071059579.db2.gz MPCHZMKEDHIIJL-UHFFFAOYSA-N 1 0 456.612 3.599 20 0 JHADRO CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCC[C@H]1C ZINC001313740233 1071065092 /nfs/dbraw/zinc/06/50/92/1071065092.db2.gz GGVMJJSIOSVJFL-LJQANCHMSA-N 1 0 452.628 3.780 20 0 JHADRO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001310020652 1071065575 /nfs/dbraw/zinc/06/55/75/1071065575.db2.gz ZWKQWTFYODXPFW-JOCHJYFZSA-N 1 0 458.628 3.844 20 0 JHADRO CCOC(=O)COc1cccc(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC001310025434 1071069360 /nfs/dbraw/zinc/06/93/60/1071069360.db2.gz DYPAMGLYYWUGEW-IBGZPJMESA-N 1 0 455.555 3.650 20 0 JHADRO CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001313744300 1071071720 /nfs/dbraw/zinc/07/17/20/1071071720.db2.gz VJUFAVZZNQMJGT-UHFFFAOYSA-N 1 0 452.628 3.712 20 0 JHADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)[C@H]1c1cccs1 ZINC001310029222 1071071863 /nfs/dbraw/zinc/07/18/63/1071071863.db2.gz OKDOKTUAIHOWTR-MBSDFSHPSA-N 1 0 456.612 3.954 20 0 JHADRO CC[NH+]1CCN(c2ccc(NC(=O)NCCCc3nnc(SC)n3CC(C)C)cc2)CC1 ZINC001310037795 1071076484 /nfs/dbraw/zinc/07/64/84/1071076484.db2.gz ZPYHWEAEIKIQPU-UHFFFAOYSA-N 1 0 459.664 3.552 20 0 JHADRO CCN(Cc1cccs1)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001313747382 1071076825 /nfs/dbraw/zinc/07/68/25/1071076825.db2.gz GMHRENGRICUPGE-UZUQRXQVSA-N 1 0 459.591 3.712 20 0 JHADRO CCN(Cc1cccs1)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001313747379 1071076900 /nfs/dbraw/zinc/07/69/00/1071076900.db2.gz GMHRENGRICUPGE-GAJHUEQPSA-N 1 0 459.591 3.712 20 0 JHADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)N(CC[NH+](C)C)C3CCCC3)cc2)C1 ZINC001310044078 1071080703 /nfs/dbraw/zinc/08/07/03/1071080703.db2.gz YNTLDUIUGBSJCT-KDURUIRLSA-N 1 0 450.649 3.691 20 0 JHADRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001310045300 1071081696 /nfs/dbraw/zinc/08/16/96/1071081696.db2.gz CYQMADDHQQMOHO-VAMGGRTRSA-N 1 0 457.619 3.596 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc(Cc2ccccn2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314802513 1071084934 /nfs/dbraw/zinc/08/49/34/1071084934.db2.gz MPDQJYYFNKEZCB-PKTZIBPZSA-N 1 0 452.578 3.711 20 0 JHADRO CN(CC1CCN(c2nnc(-c3ccc[nH]3)n2CC2([NH+](C)C)CCC2)CC1)C(=O)OC(C)(C)C ZINC001314809195 1071099450 /nfs/dbraw/zinc/09/94/50/1071099450.db2.gz CMCAKGYFJGRETO-UHFFFAOYSA-N 1 0 471.650 3.841 20 0 JHADRO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(Cc2ccncc2)n1CC(C)(C)C[NH+](C)C ZINC001313760146 1071107276 /nfs/dbraw/zinc/10/72/76/1071107276.db2.gz ORDPIPIZPWVFGC-UHFFFAOYSA-N 1 0 474.613 3.527 20 0 JHADRO CCN(CC1CCC1)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001313767926 1071115845 /nfs/dbraw/zinc/11/58/45/1071115845.db2.gz GJPQYRDWIHTSKF-UHFFFAOYSA-N 1 0 454.667 3.666 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313772208 1071124063 /nfs/dbraw/zinc/12/40/63/1071124063.db2.gz PKYQGRWAKWFZHC-RTWAWAEBSA-N 1 0 488.652 3.589 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001313773066 1071126173 /nfs/dbraw/zinc/12/61/73/1071126173.db2.gz XYAHSMVGUAIETG-CRAIPNDOSA-N 1 0 465.440 3.534 20 0 JHADRO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(Cl)nc2)n1CCC[NH+]1CCCCC1 ZINC001314820204 1071135369 /nfs/dbraw/zinc/13/53/69/1071135369.db2.gz XPAPULKDZBFQHH-UHFFFAOYSA-N 1 0 463.026 3.705 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(Cc2ccccc2OC)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313778384 1071139586 /nfs/dbraw/zinc/13/95/86/1071139586.db2.gz AQBBZWDQSIGAAQ-XJUOHMSHSA-N 1 0 485.673 3.771 20 0 JHADRO CN(CCC(F)F)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314823320 1071144292 /nfs/dbraw/zinc/14/42/92/1071144292.db2.gz IISVSOZSJCKVEC-OAHLLOKOSA-N 1 0 472.378 3.646 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001313782253 1071147602 /nfs/dbraw/zinc/14/76/02/1071147602.db2.gz HRAFIORWPPSGQL-SFTDATJTSA-N 1 0 476.666 3.841 20 0 JHADRO CN(CCc1ccc(Br)cc1)c1nnc([C@H]2CCCO2)n1CCCC[NH+]1CCOCC1 ZINC001314828764 1071156789 /nfs/dbraw/zinc/15/67/89/1071156789.db2.gz INIYSQVGJNMZEG-OAQYLSRUSA-N 1 0 492.462 3.683 20 0 JHADRO CN(CCc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314834110 1071171994 /nfs/dbraw/zinc/17/19/94/1071171994.db2.gz QEXJHSBHPIOSLG-OAQYLSRUSA-N 1 0 458.676 3.765 20 0 JHADRO O=C(COc1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001310173156 1071178515 /nfs/dbraw/zinc/17/85/15/1071178515.db2.gz ZGGVBPSBSLVYIB-QHCPKHFHSA-N 1 0 450.583 3.516 20 0 JHADRO CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001313790438 1071183006 /nfs/dbraw/zinc/18/30/06/1071183006.db2.gz CJZFORPWLRHGNE-RPWUZVMVSA-N 1 0 487.714 3.760 20 0 JHADRO CCN(CCc1cccs1)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C[NH+](C)C ZINC001313792058 1071188325 /nfs/dbraw/zinc/18/83/25/1071188325.db2.gz FZDJULSIYALBRW-UHFFFAOYSA-N 1 0 458.632 3.724 20 0 JHADRO CCN(CCC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001313795875 1071195316 /nfs/dbraw/zinc/19/53/16/1071195316.db2.gz JLLVALIFZJZPEZ-UNMCSNQZSA-N 1 0 490.693 3.945 20 0 JHADRO CN(CCCCCO)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314844883 1071199662 /nfs/dbraw/zinc/19/96/62/1071199662.db2.gz CERBMOKVZHAODM-HSZRJFAPSA-N 1 0 455.647 3.608 20 0 JHADRO COC(=O)COc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC001310200187 1071203062 /nfs/dbraw/zinc/20/30/62/1071203062.db2.gz YHYOLBJQPMZTQQ-SFHVURJKSA-N 1 0 451.445 3.653 20 0 JHADRO CC[N@H+](CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C ZINC001313802596 1071208844 /nfs/dbraw/zinc/20/88/44/1071208844.db2.gz PLVDFDIIIARWMP-UNMCSNQZSA-N 1 0 470.662 3.822 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OC(C)(C)C)CC1)C(C)C ZINC001313803491 1071210950 /nfs/dbraw/zinc/21/09/50/1071210950.db2.gz RHBCPTDXZNLZSG-UHFFFAOYSA-N 1 0 491.702 3.863 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)C(C)C ZINC001313803598 1071212013 /nfs/dbraw/zinc/21/20/13/1071212013.db2.gz SSGHWOPXOKLMIB-GOSISDBHSA-N 1 0 498.594 3.765 20 0 JHADRO C[N@H+](CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC1)Cc1ccccc1 ZINC001314850360 1071215341 /nfs/dbraw/zinc/21/53/41/1071215341.db2.gz KFOKTWKGJQEOOF-UHFFFAOYSA-N 1 0 498.672 3.751 20 0 JHADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2sccc2C1)CCC(F)(F)F ZINC001313805009 1071216509 /nfs/dbraw/zinc/21/65/09/1071216509.db2.gz HOYALGZHXUEUSO-UHFFFAOYSA-N 1 0 493.559 3.824 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@@H](COC)C1)C1CC1 ZINC001313804715 1071216598 /nfs/dbraw/zinc/21/65/98/1071216598.db2.gz JCUPORLLBMDGNI-QGZVFWFLSA-N 1 0 479.467 3.783 20 0 JHADRO CC[N@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@H](COC)C1)C1CC1 ZINC001313804714 1071216729 /nfs/dbraw/zinc/21/67/29/1071216729.db2.gz JCUPORLLBMDGNI-KRWDZBQOSA-N 1 0 479.467 3.783 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1)C(C)C ZINC001313804961 1071217887 /nfs/dbraw/zinc/21/78/87/1071217887.db2.gz HFBDRZWMDKEQCI-PXNSSMCTSA-N 1 0 480.451 3.678 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@H](COC)C1)C(C)C ZINC001313804962 1071218178 /nfs/dbraw/zinc/21/81/78/1071218178.db2.gz HFBDRZWMDKEQCI-XLIONFOSSA-N 1 0 480.451 3.678 20 0 JHADRO 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CC[N@H+](CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCCC[C@H](SC)C1)C(C)C ZINC001313809255 1071236102 /nfs/dbraw/zinc/23/61/02/1071236102.db2.gz IDSWUIBRKONVLH-IBGZPJMESA-N 1 0 483.686 3.644 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)CCC(F)(F)F ZINC001313810601 1071241961 /nfs/dbraw/zinc/24/19/61/1071241961.db2.gz NBAMPCJDWPAWJK-QGZVFWFLSA-N 1 0 499.582 3.993 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)CCC(F)(F)F ZINC001313810598 1071242039 /nfs/dbraw/zinc/24/20/39/1071242039.db2.gz NBAMPCJDWPAWJK-KRWDZBQOSA-N 1 0 499.582 3.993 20 0 JHADRO CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC001313812512 1071250553 /nfs/dbraw/zinc/25/05/53/1071250553.db2.gz ZURXRJNLERUSFO-UHFFFAOYSA-N 1 0 478.041 3.781 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cccc(F)c2)CC1)C(C)C ZINC001313812689 1071251573 /nfs/dbraw/zinc/25/15/73/1071251573.db2.gz MWQYMNAIZAWLCV-UHFFFAOYSA-N 1 0 465.621 3.840 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C)C1)CCC(F)(F)F ZINC001313811920 1071247761 /nfs/dbraw/zinc/24/77/61/1071247761.db2.gz MDZPEXMKMYLUBN-KRWDZBQOSA-N 1 0 462.520 3.993 20 0 JHADRO CC[N@H+](CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)C(C)C ZINC001313811965 1071248603 /nfs/dbraw/zinc/24/86/03/1071248603.db2.gz NKRRGSGERNXVKE-UHFFFAOYSA-N 1 0 496.578 3.579 20 0 JHADRO CC(C)N(C)c1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001310264783 1071249760 /nfs/dbraw/zinc/24/97/60/1071249760.db2.gz SGMGRMIYTVEGQD-QFIPXVFZSA-N 1 0 450.631 3.992 20 0 JHADRO CN(Cc1nccs1)c1nnc(Cc2ccccn2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001314862881 1071257432 /nfs/dbraw/zinc/25/74/32/1071257432.db2.gz IRLNCWUMMDGVIS-UHFFFAOYSA-N 1 0 451.575 3.628 20 0 JHADRO CC[N@H+](CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2nc(C)no2)C1)CCC(F)(F)F ZINC001313813631 1071255432 /nfs/dbraw/zinc/25/54/32/1071255432.db2.gz VMNWBKCHSMYEKH-GOSISDBHSA-N 1 0 492.550 3.998 20 0 JHADRO 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CC[N@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)CCC(F)(F)F ZINC001313814953 1071259826 /nfs/dbraw/zinc/25/98/26/1071259826.db2.gz MZRYVWCISNMBPC-PMACEKPBSA-N 1 0 483.583 3.711 20 0 JHADRO CC[N@H+](CCn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1)C(C)C ZINC001313815033 1071259887 /nfs/dbraw/zinc/25/98/87/1071259887.db2.gz SKSROMAEEUHOHK-OAQYLSRUSA-N 1 0 457.619 3.830 20 0 JHADRO CC[N@H+](CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OC)C1)CCC(F)(F)F ZINC001313815958 1071261913 /nfs/dbraw/zinc/26/19/13/1071261913.db2.gz BKGLOGNAKQJYMN-FXAWDEMLSA-N 1 0 483.535 3.680 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OC)C1)CCC(F)(F)F ZINC001313815961 1071262099 /nfs/dbraw/zinc/26/20/99/1071262099.db2.gz BKGLOGNAKQJYMN-PXNSSMCTSA-N 1 0 483.535 3.680 20 0 JHADRO CC[N@H+](CCn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)CCC(F)(F)F ZINC001313815798 1071262228 /nfs/dbraw/zinc/26/22/28/1071262228.db2.gz QWEPVANVFNWKND-KRWDZBQOSA-N 1 0 474.572 3.923 20 0 JHADRO CCN(CCn1c(Cc2ccsc2)nnc1N1CC[NH+](CC(C)C)CC1)C(=O)OC(C)(C)C ZINC001313817473 1071265335 /nfs/dbraw/zinc/26/53/35/1071265335.db2.gz UMECHIZUIYELLE-UHFFFAOYSA-N 1 0 476.691 3.965 20 0 JHADRO C[N@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)Cc1ccc(F)cc1 ZINC001314866038 1071268575 /nfs/dbraw/zinc/26/85/75/1071268575.db2.gz PSQQGMJFUBFQPB-FPOVZHCZSA-N 1 0 499.553 3.991 20 0 JHADRO CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1)C1CC1 ZINC001313817603 1071266077 /nfs/dbraw/zinc/26/60/77/1071266077.db2.gz KLBCBMFMIVKHEJ-UHFFFAOYSA-N 1 0 456.635 3.523 20 0 JHADRO CC[N@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1)C(C)C ZINC001313818536 1071268901 /nfs/dbraw/zinc/26/89/01/1071268901.db2.gz KNFWPDPQYMBTSN-SFHVURJKSA-N 1 0 457.573 3.605 20 0 JHADRO CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1)C1CC1 ZINC001313818178 1071268279 /nfs/dbraw/zinc/26/82/79/1071268279.db2.gz SDVVHLCZFDRVGM-UHFFFAOYSA-N 1 0 485.673 3.982 20 0 JHADRO CN(CCn1c([C@H]2CCOC2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001314866129 1071269449 /nfs/dbraw/zinc/26/94/49/1071269449.db2.gz RSFSZYMPCWMOMG-GOTSBHOMSA-N 1 0 498.672 3.607 20 0 JHADRO CC[N@H+](CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1)C(C)C ZINC001313819017 1071271294 /nfs/dbraw/zinc/27/12/94/1071271294.db2.gz FLKMRBUMIKJNDP-MCEYFSPLSA-N 1 0 455.647 3.566 20 0 JHADRO CC[N@H+](CCn1c(CC2CC2)nnc1N1CCC=C(Br)C1)CCC(F)(F)F ZINC001313818999 1071271333 /nfs/dbraw/zinc/27/13/33/1071271333.db2.gz FCGRFRZBFATIRY-UHFFFAOYSA-N 1 0 450.347 3.994 20 0 JHADRO CCN(CCn1c(CCc2ccccc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)C(=O)OC(C)(C)C ZINC001313819226 1071272806 /nfs/dbraw/zinc/27/28/06/1071272806.db2.gz JLOXJTZKXAZJCV-QHCPKHFHSA-N 1 0 482.673 3.995 20 0 JHADRO CC[N@H+](CCn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1)C(C)C ZINC001313819205 1071272920 /nfs/dbraw/zinc/27/29/20/1071272920.db2.gz IOQQTTFSKFYQGA-UHFFFAOYSA-N 1 0 456.610 3.733 20 0 JHADRO C[N@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1)C1CCCC1 ZINC001314867314 1071273677 /nfs/dbraw/zinc/27/36/77/1071273677.db2.gz IXDSTWFOJIEPIX-RTBURBONSA-N 1 0 487.611 3.965 20 0 JHADRO CC[N@H+](CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCn2nc(C)nc2C1)C(C)C ZINC001313820881 1071279621 /nfs/dbraw/zinc/27/96/21/1071279621.db2.gz WDFZTHWZOZQTIE-UHFFFAOYSA-N 1 0 493.443 3.814 20 0 JHADRO CC[N@H+](CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(F)(F)F)C1)C(C)C ZINC001313819839 1071275500 /nfs/dbraw/zinc/27/55/00/1071275500.db2.gz HDCKWZCIGAUUKP-FQEVSTJZSA-N 1 0 469.552 3.972 20 0 JHADRO CN(CCn1cccn1)c1nnc(-c2ccccc2Br)n1CC1([NH+](C)C)CCCC1 ZINC001314868343 1071276476 /nfs/dbraw/zinc/27/64/76/1071276476.db2.gz HXQXLWHRINXHBE-UHFFFAOYSA-N 1 0 472.435 3.915 20 0 JHADRO CC[N@H+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCOC[C@@H]1C)CCC(F)(F)F ZINC001313820206 1071277460 /nfs/dbraw/zinc/27/74/60/1071277460.db2.gz LTGABQYJKZBSHZ-IBGZPJMESA-N 1 0 469.552 3.973 20 0 JHADRO CC[N@H+](CCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)C(C)C ZINC001313821983 1071284589 /nfs/dbraw/zinc/28/45/89/1071284589.db2.gz KFBZCIINFWXHOY-IBGZPJMESA-N 1 0 490.674 3.586 20 0 JHADRO CN(CCN1CCOCC1)c1nnc(CSc2ccc(Cl)cc2)n1CC[NH+]1CCCCCC1 ZINC001314872123 1071286310 /nfs/dbraw/zinc/28/63/10/1071286310.db2.gz VKMFDBIPUIQQAE-UHFFFAOYSA-N 1 0 493.121 3.868 20 0 JHADRO C[C@@H]1CC[N@H+](CCNC(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001310315956 1071297516 /nfs/dbraw/zinc/29/75/16/1071297516.db2.gz CNVOQKFLKZNHMZ-MRXNPFEDSA-N 1 0 459.388 3.842 20 0 JHADRO CN(CCOc1ccc(Cl)cc1)c1nnc(-c2cccnc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314879161 1071299919 /nfs/dbraw/zinc/29/99/19/1071299919.db2.gz CEDHDNHHHQINDJ-UHFFFAOYSA-N 1 0 471.005 3.620 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc([C@@H](C)Oc4ccccc4F)n3CC[N@H+](C)C(C)C)CCO2)cn1 ZINC001313833432 1071308362 /nfs/dbraw/zinc/30/83/62/1071308362.db2.gz UGSNLSGRLTXELX-XXBNENTESA-N 1 0 485.608 3.692 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CC1(C)C ZINC001314880941 1071304405 /nfs/dbraw/zinc/30/44/05/1071304405.db2.gz SBBXJFUKHVNJFX-JOCHJYFZSA-N 1 0 468.690 3.940 20 0 JHADRO CCn1cc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)CCO2)cn1 ZINC001313834036 1071309928 /nfs/dbraw/zinc/30/99/28/1071309928.db2.gz KAZJMGOCWKDSDS-SFTDATJTSA-N 1 0 457.667 3.781 20 0 JHADRO CN(C[C@H]1CCCO1)c1nnc(COc2ccccc2F)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314891175 1071320193 /nfs/dbraw/zinc/32/01/93/1071320193.db2.gz VAZVKRSUSGTWHW-UYAOXDASSA-N 1 0 459.591 3.976 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)cn1 ZINC001313836788 1071318104 /nfs/dbraw/zinc/31/81/04/1071318104.db2.gz ZLSSCIZBBOJIOM-FQEVSTJZSA-N 1 0 499.635 3.645 20 0 JHADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)[C@H]1c1cccs1 ZINC001310343561 1071326272 /nfs/dbraw/zinc/32/62/72/1071326272.db2.gz ZQSFIRCSCHUMKO-UGSOOPFHSA-N 1 0 457.021 3.978 20 0 JHADRO CN(OC1CCCC1)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCC(C)(F)F ZINC001314892466 1071321975 /nfs/dbraw/zinc/32/19/75/1071321975.db2.gz JFUPICYNZRZOJG-UHFFFAOYSA-N 1 0 462.589 3.999 20 0 JHADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2cnccn2)n1CCCC(C)(C)C ZINC001314893027 1071323310 /nfs/dbraw/zinc/32/33/10/1071323310.db2.gz NGULOACXQHQXQN-SIKLNZKXSA-N 1 0 465.650 3.814 20 0 JHADRO COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC001310341109 1071323746 /nfs/dbraw/zinc/32/37/46/1071323746.db2.gz VATJHKPGAHLILJ-KRWDZBQOSA-N 1 0 454.637 3.548 20 0 JHADRO CCn1cc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCCCC2)cn1 ZINC001313842018 1071327898 /nfs/dbraw/zinc/32/78/98/1071327898.db2.gz ZOZAZPBGDNCGNC-UHFFFAOYSA-N 1 0 457.573 3.876 20 0 JHADRO CCn1cc(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC[NH+](C(C)C)CC2)cn1 ZINC001313843445 1071331625 /nfs/dbraw/zinc/33/16/25/1071331625.db2.gz FGFQJWMDMBDVJV-UHFFFAOYSA-N 1 0 467.618 3.536 20 0 JHADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)CC(=O)Nc1ccccc1CC ZINC001310363417 1071339740 /nfs/dbraw/zinc/33/97/40/1071339740.db2.gz KICMJCOAYBDWIN-UHFFFAOYSA-N 1 0 453.587 3.502 20 0 JHADRO Cn1cc(-c2nnc(N3CC[NH+](CCc4ccccc4)CC3)n2CC(C)(C)C(F)(F)F)cn1 ZINC001314904647 1071342276 /nfs/dbraw/zinc/34/22/76/1071342276.db2.gz SQYGZRRTYMGDQQ-UHFFFAOYSA-N 1 0 461.536 3.632 20 0 JHADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(-c4cccc(OC(F)F)c4)n3CC(F)(F)F)CC2)cn1 ZINC001314904830 1071343186 /nfs/dbraw/zinc/34/31/86/1071343186.db2.gz BLCUJSMSKJNJKN-UHFFFAOYSA-N 1 0 485.461 3.555 20 0 JHADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccccc3Br)CC2)cn1 ZINC001314905443 1071344345 /nfs/dbraw/zinc/34/43/45/1071344345.db2.gz XVNBTMLJQXZAHY-UHFFFAOYSA-N 1 0 486.462 3.832 20 0 JHADRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(C(=O)N(C)C)cc1OC)[NH+]1CCCCC1 ZINC001310369319 1071345492 /nfs/dbraw/zinc/34/54/92/1071345492.db2.gz PNJLPVFVGZIWKO-NRFANRHFSA-N 1 0 454.571 3.754 20 0 JHADRO CCn1cccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC([NH2+]C(C)C)CC2)c1=O ZINC001313850301 1071347006 /nfs/dbraw/zinc/34/70/06/1071347006.db2.gz QTWCFTGMVLXEBC-UHFFFAOYSA-N 1 0 478.641 3.671 20 0 JHADRO CCn1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001313850753 1071347666 /nfs/dbraw/zinc/34/76/66/1071347666.db2.gz XYIBMTCVISTZRV-UHFFFAOYSA-N 1 0 458.010 3.696 20 0 JHADRO CCC[N@H+](CC)CCNC(=O)Nc1ccc(I)cc1Br ZINC001310388652 1071353543 /nfs/dbraw/zinc/35/35/43/1071353543.db2.gz RKVKVZXGOVZUCB-UHFFFAOYSA-N 1 0 454.150 3.907 20 0 JHADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccc(C(C)(C)C(=O)OC)cc3)cc2)CC1 ZINC001310374641 1071350409 /nfs/dbraw/zinc/35/04/09/1071350409.db2.gz ZOBPMNNSJYMJNN-UHFFFAOYSA-N 1 0 452.599 3.596 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCSCc2ccc(C)cc2)C[C@H]1C ZINC001313858103 1071358500 /nfs/dbraw/zinc/35/85/00/1071358500.db2.gz GFDSKCLQINVDFG-UXHICEINSA-N 1 0 458.676 3.577 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(F)ccc3Br)n2Cc2cnn(C)c2C)C[C@H]1C ZINC001313858346 1071359868 /nfs/dbraw/zinc/35/98/68/1071359868.db2.gz APUBNGJDOQQKGW-CABCVRRESA-N 1 0 490.425 3.856 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC001313857870 1071357225 /nfs/dbraw/zinc/35/72/25/1071357225.db2.gz DITSUKLMWIWCQH-IRXDYDNUSA-N 1 0 487.530 3.911 20 0 JHADRO CN(C[C@H]1CC=CCC1)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314922935 1071366019 /nfs/dbraw/zinc/36/60/19/1071366019.db2.gz MPHPIVKMHAYYSE-KSFYIVLOSA-N 1 0 478.410 3.706 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCCCCO)C[C@H]1C ZINC001313859471 1071363710 /nfs/dbraw/zinc/36/37/10/1071363710.db2.gz GJDSLJAPKJPPTP-IAGOWNOFSA-N 1 0 450.425 3.789 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCCO[C@@H]2CCOC2)C[C@@H]1C ZINC001313859494 1071364535 /nfs/dbraw/zinc/36/45/35/1071364535.db2.gz GVJPSGMULORWBD-BBTUJRGHSA-N 1 0 492.462 3.822 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001313859627 1071365334 /nfs/dbraw/zinc/36/53/34/1071365334.db2.gz HIHKDZMYNJWCHS-FDFHNCONSA-N 1 0 468.690 3.882 20 0 JHADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(OC(C)(C)C)CC2)C1 ZINC001314921960 1071365551 /nfs/dbraw/zinc/36/55/51/1071365551.db2.gz AIZUYROQDALCFO-QHCPKHFHSA-N 1 0 492.462 3.558 20 0 JHADRO Cn1cc(Nc2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC001314923676 1071366693 /nfs/dbraw/zinc/36/66/93/1071366693.db2.gz GFLLMYNAVSIFNP-ZIFCJYIRSA-N 1 0 472.638 3.646 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001314924418 1071367217 /nfs/dbraw/zinc/36/72/17/1071367217.db2.gz NRBYXXBDOOIPBF-NZQKXSOJSA-N 1 0 496.700 3.977 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001314925035 1071367565 /nfs/dbraw/zinc/36/75/65/1071367565.db2.gz QZNBJCFOQZVKPR-VQTJNVASSA-N 1 0 481.563 3.788 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001314924419 1071367650 /nfs/dbraw/zinc/36/76/50/1071367650.db2.gz NRBYXXBDOOIPBF-REWPJTCUSA-N 1 0 496.700 3.977 20 0 JHADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001314926259 1071369564 /nfs/dbraw/zinc/36/95/64/1071369564.db2.gz DNKRTWRTUNPDHE-OAQYLSRUSA-N 1 0 470.637 3.979 20 0 JHADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC001310407711 1071371916 /nfs/dbraw/zinc/37/19/16/1071371916.db2.gz XNHAKCHRJLYEHZ-UHFFFAOYSA-N 1 0 458.484 3.910 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2CCc2ccc(F)c(F)c2F)C[C@@H]1C ZINC001313860777 1071370791 /nfs/dbraw/zinc/37/07/91/1071370791.db2.gz LITSATBDUIYSJJ-YESZJQIVSA-N 1 0 469.552 3.581 20 0 JHADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC001310409066 1071373413 /nfs/dbraw/zinc/37/34/13/1071373413.db2.gz QEBWGOLNZCXKQZ-QRWLVFNGSA-N 1 0 453.008 3.841 20 0 JHADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC001310409067 1071373495 /nfs/dbraw/zinc/37/34/95/1071373495.db2.gz QEBWGOLNZCXKQZ-YWZLYKJASA-N 1 0 453.008 3.841 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2ccnc2C)C[C@H]1C ZINC001313863675 1071382446 /nfs/dbraw/zinc/38/24/46/1071382446.db2.gz WJWFYYOWEQSYGP-RTWAWAEBSA-N 1 0 478.645 3.661 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2c(F)cc(F)c(F)c2F)C[C@H]1C ZINC001313863282 1071380798 /nfs/dbraw/zinc/38/07/98/1071380798.db2.gz SUMVBXQFAFSAAP-ILXRZTDVSA-N 1 0 473.515 3.526 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cnn(C)c2C)C[C@@H]1C ZINC001313863868 1071383927 /nfs/dbraw/zinc/38/39/27/1071383927.db2.gz ULDARUGSQSMAOD-LNLFQRSKSA-N 1 0 455.582 3.566 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2cc(Br)ccc2F)C[C@@H]1C ZINC001313864015 1071385292 /nfs/dbraw/zinc/38/52/92/1071385292.db2.gz LHNDFRXYFVMWAR-JKSUJKDBSA-N 1 0 490.425 3.742 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313864539 1071386938 /nfs/dbraw/zinc/38/69/38/1071386938.db2.gz FZJBQOPKGIAGHM-DLBZAZTESA-N 1 0 471.005 3.978 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314937442 1071387965 /nfs/dbraw/zinc/38/79/65/1071387965.db2.gz VODBRDLVURKCFF-FQEVSTJZSA-N 1 0 496.059 3.724 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2Cc2nccc(C(F)F)n2)C[C@H]1C ZINC001313865470 1071392455 /nfs/dbraw/zinc/39/24/55/1071392455.db2.gz BAFHMHMTNCMBCK-MSOLQXFVSA-N 1 0 455.557 3.758 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2cc(Br)cs2)C[C@@H]1C ZINC001313865024 1071390142 /nfs/dbraw/zinc/39/01/42/1071390142.db2.gz NOGBQNDTWDVVFU-UONOGXRCSA-N 1 0 462.421 3.526 20 0 JHADRO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001310447424 1071395967 /nfs/dbraw/zinc/39/59/67/1071395967.db2.gz ZGYPLZALBPYOAP-YADARESESA-N 1 0 458.628 3.691 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCC[C@H]2OC)C[C@@H]1C ZINC001313867035 1071397411 /nfs/dbraw/zinc/39/74/11/1071397411.db2.gz IALCDNYYKTYUKS-CGCKEFBRSA-N 1 0 455.647 3.806 20 0 JHADRO C[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccc(C(=O)OC(C)(C)C)cc3F)cc2)CC1 ZINC001310451194 1071397396 /nfs/dbraw/zinc/39/73/96/1071397396.db2.gz LGNQEDCHUBRHBG-UHFFFAOYSA-N 1 0 456.562 3.850 20 0 JHADRO CCOC(=O)c1cc2cc(NC(=O)N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)ccc2s1 ZINC001310452321 1071397471 /nfs/dbraw/zinc/39/74/71/1071397471.db2.gz CMGKCTCTGYILFA-UHFFFAOYSA-N 1 0 458.628 3.959 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCO[C@H]2C(C)C)C[C@@H]1C ZINC001313867138 1071398035 /nfs/dbraw/zinc/39/80/35/1071398035.db2.gz LPMNFQIRVPMCRU-RSKVWTTASA-N 1 0 471.646 3.942 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313867403 1071400007 /nfs/dbraw/zinc/40/00/07/1071400007.db2.gz KGAZRQZGGZYCEU-AOIWGVFYSA-N 1 0 478.037 3.810 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(O)CC2)C[C@H]1C ZINC001313867174 1071399227 /nfs/dbraw/zinc/39/92/27/1071399227.db2.gz IAPPXLCRWUMMCN-MOPGFXCFSA-N 1 0 462.038 3.695 20 0 JHADRO CNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001314944923 1071401410 /nfs/dbraw/zinc/40/14/10/1071401410.db2.gz HAPHHLLMMNTKIM-TZIWHRDSSA-N 1 0 472.703 3.793 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OCCOC)cc2)C[C@@H]1C ZINC001313867859 1071401726 /nfs/dbraw/zinc/40/17/26/1071401726.db2.gz LJAGWURUVLTHQP-RBUKOAKNSA-N 1 0 484.670 3.626 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCOc2ccc(Cl)cc2)C[C@@H]1C ZINC001313868149 1071402536 /nfs/dbraw/zinc/40/25/36/1071402536.db2.gz AUTYXNVFJYUMJK-RBUKOAKNSA-N 1 0 455.006 3.915 20 0 JHADRO Cc1c(C(=O)N2CCOCC2)c(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)sc1-c1ccccc1 ZINC001310460588 1071403595 /nfs/dbraw/zinc/40/35/95/1071403595.db2.gz BKSGHCHVCOAXOY-IZAXUBKRSA-N 1 0 456.612 3.658 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314946526 1071404920 /nfs/dbraw/zinc/40/49/20/1071404920.db2.gz STVBHEQGKOKVHD-KSSFIOAISA-N 1 0 479.412 3.966 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(Br)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001314947502 1071407225 /nfs/dbraw/zinc/40/72/25/1071407225.db2.gz AKYAWDNEAZBHOO-KRWDZBQOSA-N 1 0 491.478 3.790 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(Br)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001314947503 1071407233 /nfs/dbraw/zinc/40/72/33/1071407233.db2.gz AKYAWDNEAZBHOO-QGZVFWFLSA-N 1 0 491.478 3.790 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCSCC(C)C)C[C@@H]1C ZINC001313869413 1071408374 /nfs/dbraw/zinc/40/83/74/1071408374.db2.gz PNCUZBKRYLMHDE-PMACEKPBSA-N 1 0 455.676 3.825 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001313870082 1071411538 /nfs/dbraw/zinc/41/15/38/1071411538.db2.gz FKCNSJLTADQMSY-MOPGFXCFSA-N 1 0 479.595 3.923 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC001313869999 1071411564 /nfs/dbraw/zinc/41/15/64/1071411564.db2.gz DQPMYVGHBNVHSL-BSRJHKFKSA-N 1 0 474.531 3.709 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOC(C)C)C[C@@H]1C ZINC001313870304 1071412230 /nfs/dbraw/zinc/41/22/30/1071412230.db2.gz QINFTPQQQIJEFY-ACRUOGEOSA-N 1 0 478.682 3.737 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCCN(C)c2ccccc2F)C[C@H]1C ZINC001313870871 1071415110 /nfs/dbraw/zinc/41/51/10/1071415110.db2.gz FVROWLYCRHGCCS-UXHICEINSA-N 1 0 451.594 3.925 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC2(O)CCCCCC2)C[C@@H]1C ZINC001313871082 1071415878 /nfs/dbraw/zinc/41/58/78/1071415878.db2.gz WQZHNQAEVULOTC-FCHUYYIVSA-N 1 0 455.647 3.904 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(C)c2)C[C@H]1C ZINC001313871878 1071419178 /nfs/dbraw/zinc/41/91/78/1071419178.db2.gz UPMXPMJYKISKTB-GIWBLDEGSA-N 1 0 498.672 3.862 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@H](C)Oc2ccccc2OC)C[C@H]1C ZINC001313872658 1071422727 /nfs/dbraw/zinc/42/27/27/1071422727.db2.gz KBKZNSAPUAQBCU-AABGKKOBSA-N 1 0 450.587 3.735 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001313872688 1071422845 /nfs/dbraw/zinc/42/28/45/1071422845.db2.gz KFHPZBXXPYKPGJ-IRXDYDNUSA-N 1 0 475.519 3.643 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001313872686 1071422948 /nfs/dbraw/zinc/42/29/48/1071422948.db2.gz KFHPZBXXPYKPGJ-DLBZAZTESA-N 1 0 475.519 3.643 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)cc3)n2CCCNC(=O)c2occc2C)C[C@H]1C ZINC001313873007 1071424042 /nfs/dbraw/zinc/42/40/42/1071424042.db2.gz BPIULJSSRVOVCF-FGZHOGPDSA-N 1 0 494.640 3.806 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2ccccc2)C[C@@H]1C ZINC001313873514 1071425495 /nfs/dbraw/zinc/42/54/95/1071425495.db2.gz CSRUPFZXMQRLTB-UFYCRDLUSA-N 1 0 466.655 3.992 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001314953683 1071426028 /nfs/dbraw/zinc/42/60/28/1071426028.db2.gz YCUQYWWRZCIXGX-SJLPKXTDSA-N 1 0 491.478 3.566 20 0 JHADRO CC(C)[N@@H+](Cc1ccc(NC(=O)NCc2ccc(CC(N)=O)cc2)cc1)C[C@@H]1CCCCO1 ZINC001310491364 1071430053 /nfs/dbraw/zinc/43/00/53/1071430053.db2.gz UPGCDHIJXDXQQH-DEOSSOPVSA-N 1 0 452.599 3.816 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CCOCC(F)(F)C(F)F)C[C@@H]1C ZINC001313875393 1071433878 /nfs/dbraw/zinc/43/38/78/1071433878.db2.gz RXTLESOZUQMYFU-JKSUJKDBSA-N 1 0 473.515 3.790 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001310491892 1071431403 /nfs/dbraw/zinc/43/14/03/1071431403.db2.gz XPOSRONNRCCFPY-UGKGYDQZSA-N 1 0 453.649 3.753 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313876129 1071436912 /nfs/dbraw/zinc/43/69/12/1071436912.db2.gz QZMVCUBPUZUBCY-QZTJIDSGSA-N 1 0 470.559 3.811 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2([NH+](C)C)CCC2)C1 ZINC001314962010 1071437467 /nfs/dbraw/zinc/43/74/67/1071437467.db2.gz OPDFNUDWJUNCGV-OAQYLSRUSA-N 1 0 465.429 3.699 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313877320 1071441377 /nfs/dbraw/zinc/44/13/77/1071441377.db2.gz WQBQUKFDRLCDCD-VXKWHMMOSA-N 1 0 452.647 3.965 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2CCC2(O)CCC2)C[C@@H]1C ZINC001313878844 1071446049 /nfs/dbraw/zinc/44/60/49/1071446049.db2.gz ZCKSXSILIZCYQX-DLBZAZTESA-N 1 0 462.436 3.932 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2cccc(Cl)c2)C[C@@H]1C ZINC001313879243 1071448518 /nfs/dbraw/zinc/44/85/18/1071448518.db2.gz ZIIAEDZRPQWZGV-MHPIHPPYSA-N 1 0 469.033 3.744 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(OC)c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001314966471 1071449696 /nfs/dbraw/zinc/44/96/96/1071449696.db2.gz QRPIADPOFQXUAF-LGVUCKNBSA-N 1 0 482.673 3.674 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313879399 1071449987 /nfs/dbraw/zinc/44/99/87/1071449987.db2.gz BIAAKMXIEFFWQV-DENIHFKCSA-N 1 0 489.686 3.508 20 0 JHADRO CC[NH+]1CCC(CCn2c(CC(C)C)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001313879642 1071450611 /nfs/dbraw/zinc/45/06/11/1071450611.db2.gz IRYYBBYSOGZGGJ-UHFFFAOYSA-N 1 0 455.573 3.987 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H]3CCCOC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001313879901 1071451220 /nfs/dbraw/zinc/45/12/20/1071451220.db2.gz MIFMMXIMQRQCCW-FCEUIQTBSA-N 1 0 490.693 3.644 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc[nH]3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001313880754 1071452463 /nfs/dbraw/zinc/45/24/63/1071452463.db2.gz MLFJMXJTCILPSX-IBGZPJMESA-N 1 0 484.670 3.996 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)OC)CC1 ZINC001313880547 1071452559 /nfs/dbraw/zinc/45/25/59/1071452559.db2.gz WXFUZWGGOPAPDT-IBGZPJMESA-N 1 0 450.628 3.512 20 0 JHADRO CC[NH+]1CCC(CCn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001313881952 1071456804 /nfs/dbraw/zinc/45/68/04/1071456804.db2.gz DJTNLNATNWJLND-LJQANCHMSA-N 1 0 456.610 3.859 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@@H]2C)C[C@@H]1C ZINC001313882676 1071458060 /nfs/dbraw/zinc/45/80/60/1071458060.db2.gz GCOSOPDLJKBTSZ-DLIIQVSUSA-N 1 0 490.693 3.519 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(O)cc2)C[C@@H]1C ZINC001313882439 1071458346 /nfs/dbraw/zinc/45/83/46/1071458346.db2.gz FXQGKXNPOSUYPJ-BLKABHOGSA-N 1 0 498.672 3.916 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccncc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001313883324 1071461336 /nfs/dbraw/zinc/46/13/36/1071461336.db2.gz SDBXQJOXDJHUQT-QHCPKHFHSA-N 1 0 481.689 3.517 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cc3ccccc3OC)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001313883577 1071462158 /nfs/dbraw/zinc/46/21/58/1071462158.db2.gz UETYSZZTWYBWGO-GBXCKJPGSA-N 1 0 455.647 3.861 20 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CNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001315001001 1071523761 /nfs/dbraw/zinc/52/37/61/1071523761.db2.gz ASSDODFCGXZXCV-NHCUHLMSSA-N 1 0 458.695 3.731 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313906500 1071524230 /nfs/dbraw/zinc/52/42/30/1071524230.db2.gz ZNRYIQWGFMAZSV-YADHBBJMSA-N 1 0 498.672 3.830 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001313906650 1071524992 /nfs/dbraw/zinc/52/49/92/1071524992.db2.gz YHAXPMMYBHPHBM-ICSRJNTNSA-N 1 0 457.619 3.840 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315001814 1071525169 /nfs/dbraw/zinc/52/51/69/1071525169.db2.gz ODYTVSLACNKQPO-YADHBBJMSA-N 1 0 466.674 3.536 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313905412 1071521450 /nfs/dbraw/zinc/52/14/50/1071521450.db2.gz XBVIPLALRBHYAT-NHCUHLMSSA-N 1 0 469.634 3.660 20 0 JHADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313905418 1071521494 /nfs/dbraw/zinc/52/14/94/1071521494.db2.gz XBVIPLALRBHYAT-SFTDATJTSA-N 1 0 469.634 3.660 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001313905642 1071521836 /nfs/dbraw/zinc/52/18/36/1071521836.db2.gz PXBGPIFCBYFOKS-TUNNFDKTSA-N 1 0 488.702 3.552 20 0 JHADRO CNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001315001875 1071525800 /nfs/dbraw/zinc/52/58/00/1071525800.db2.gz PZFKVQXGVDLGEB-UHFFFAOYSA-N 1 0 466.674 3.862 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313905940 1071522885 /nfs/dbraw/zinc/52/28/85/1071522885.db2.gz WETKABXWTAVOQB-PZJWPPBQSA-N 1 0 469.630 3.638 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313907979 1071528868 /nfs/dbraw/zinc/52/88/68/1071528868.db2.gz KYCAUVSUKRUONB-SFHVURJKSA-N 1 0 467.536 3.722 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001313908211 1071529480 /nfs/dbraw/zinc/52/94/80/1071529480.db2.gz BNHVAFKSWUYGAE-JOCHJYFZSA-N 1 0 488.702 3.533 20 0 JHADRO CNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001315003763 1071529931 /nfs/dbraw/zinc/52/99/31/1071529931.db2.gz HROAOVXOSGYWCD-UHFFFAOYSA-N 1 0 473.065 3.607 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313909046 1071531893 /nfs/dbraw/zinc/53/18/93/1071531893.db2.gz MFHXLUWJVPZSSM-HXUWFJFHSA-N 1 0 489.690 3.565 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CCO)Cc1ccccc1OC ZINC001313909302 1071532270 /nfs/dbraw/zinc/53/22/70/1071532270.db2.gz RLAITNRXPULQDF-OAQYLSRUSA-N 1 0 485.032 3.875 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001313909760 1071533144 /nfs/dbraw/zinc/53/31/44/1071533144.db2.gz CSHHDJYHAIZAQT-KNKQGSTJSA-N 1 0 473.584 3.924 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313909621 1071533202 /nfs/dbraw/zinc/53/32/02/1071533202.db2.gz RQGWKQCDSBNVIT-DEOSSOPVSA-N 1 0 496.700 3.641 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001313910690 1071536579 /nfs/dbraw/zinc/53/65/79/1071536579.db2.gz FZCFSSHWCQXTOK-HOTGVXAUSA-N 1 0 452.397 3.648 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001313910143 1071534580 /nfs/dbraw/zinc/53/45/80/1071534580.db2.gz VEJNCNUSCHFQSC-REWPJTCUSA-N 1 0 480.579 3.668 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCNC(=O)C(C)C ZINC001313910122 1071534613 /nfs/dbraw/zinc/53/46/13/1071534613.db2.gz VDXVHFOXMYPLRN-IBGZPJMESA-N 1 0 477.053 3.690 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC(N)=O ZINC001313910135 1071534719 /nfs/dbraw/zinc/53/47/19/1071534719.db2.gz VHNCXGLUOBLZAD-GDBMZVCRSA-N 1 0 453.418 3.826 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001313910570 1071535711 /nfs/dbraw/zinc/53/57/11/1071535711.db2.gz WZFOKRLCRADJLB-HOTGVXAUSA-N 1 0 495.491 3.735 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001313910582 1071535871 /nfs/dbraw/zinc/53/58/71/1071535871.db2.gz XCISZNVTXZLXDZ-OALUTQOASA-N 1 0 463.001 3.717 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001313911556 1071537726 /nfs/dbraw/zinc/53/77/26/1071537726.db2.gz CYTSRMCZWCTBBK-WDSOQIARSA-N 1 0 457.541 3.575 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@](C)(CC)C1 ZINC001313911545 1071537763 /nfs/dbraw/zinc/53/77/63/1071537763.db2.gz CVJJHUHSYSTKHA-NBGIEHNGSA-N 1 0 457.619 3.745 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313911999 1071538922 /nfs/dbraw/zinc/53/89/22/1071538922.db2.gz GPUDZHHBJLUJNE-RTBURBONSA-N 1 0 498.569 3.943 20 0 JHADRO CCN1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1=O ZINC001313913134 1071542366 /nfs/dbraw/zinc/54/23/66/1071542366.db2.gz IZXJUXFOLRANAT-PZJWPPBQSA-N 1 0 474.625 3.592 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315022683 1071544938 /nfs/dbraw/zinc/54/49/38/1071544938.db2.gz VSMQMJIMYZVHMT-QGZVFWFLSA-N 1 0 477.028 3.822 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313914118 1071546317 /nfs/dbraw/zinc/54/63/17/1071546317.db2.gz RLLRUTDIPYFERA-YADHBBJMSA-N 1 0 468.646 3.738 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313913370 1071542863 /nfs/dbraw/zinc/54/28/63/1071542863.db2.gz XUNAGAYIMACXLU-WOJBJXKFSA-N 1 0 469.634 3.708 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1=O ZINC001313914539 1071547970 /nfs/dbraw/zinc/54/79/70/1071547970.db2.gz ZVWWVURSABVFQA-QFIPXVFZSA-N 1 0 498.672 3.674 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001315022282 1071544110 /nfs/dbraw/zinc/54/41/10/1071544110.db2.gz RSNSMICRFLFXGL-JOCHJYFZSA-N 1 0 464.614 3.810 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313913749 1071544130 /nfs/dbraw/zinc/54/41/30/1071544130.db2.gz LSDBIOHEKYZIJM-GOSISDBHSA-N 1 0 485.526 3.764 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001315024795 1071548021 /nfs/dbraw/zinc/54/80/21/1071548021.db2.gz UMCAFAUKCDREFX-JOCHJYFZSA-N 1 0 484.645 3.725 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(SC)CC[NH+](C)CC1 ZINC001315026127 1071550868 /nfs/dbraw/zinc/55/08/68/1071550868.db2.gz GJERWFAGSCZIFG-UHFFFAOYSA-N 1 0 483.057 3.527 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313916500 1071553060 /nfs/dbraw/zinc/55/30/60/1071553060.db2.gz YGJDZVCSDJBIHX-SIKLNZKXSA-N 1 0 473.584 3.972 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001313919710 1071557551 /nfs/dbraw/zinc/55/75/51/1071557551.db2.gz FMFGAIUGJWCAQY-OALUTQOASA-N 1 0 492.510 3.934 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001315029514 1071558444 /nfs/dbraw/zinc/55/84/44/1071558444.db2.gz WOPBDARFRUQEPD-MJGOQNOKSA-N 1 0 484.670 3.990 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCSCC2)CC1 ZINC001313920794 1071559898 /nfs/dbraw/zinc/55/98/98/1071559898.db2.gz MJZSGXGDYGZGIS-GOSISDBHSA-N 1 0 493.519 3.595 20 0 JHADRO CCN1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1=O ZINC001313921147 1071560690 /nfs/dbraw/zinc/56/06/90/1071560690.db2.gz KZMKEPOBZRFGQH-QHCPKHFHSA-N 1 0 496.681 3.897 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@H+](C)C1CCCC1 ZINC001315037095 1071570236 /nfs/dbraw/zinc/57/02/36/1071570236.db2.gz RPCWQPVNTWELBE-QGZVFWFLSA-N 1 0 458.676 3.578 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1([NH+](C)C)CCCC1 ZINC001315036295 1071569742 /nfs/dbraw/zinc/56/97/42/1071569742.db2.gz JWGKAHOHBBHYRC-UHFFFAOYSA-N 1 0 458.676 3.722 20 0 JHADRO CNC(=O)CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315038707 1071571243 /nfs/dbraw/zinc/57/12/43/1071571243.db2.gz BXLATEPNVKMNNS-LJQANCHMSA-N 1 0 470.662 3.557 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001313925367 1071573290 /nfs/dbraw/zinc/57/32/90/1071573290.db2.gz PDOATOWCVUBGEV-MOPGFXCFSA-N 1 0 471.650 3.807 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CCOc2ccccc2F)CC1 ZINC001313926073 1071575386 /nfs/dbraw/zinc/57/53/86/1071575386.db2.gz BWKQDBVTQCBOMU-FQEVSTJZSA-N 1 0 460.642 3.547 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313926518 1071577017 /nfs/dbraw/zinc/57/70/17/1071577017.db2.gz DDPBSYNOBJTOPW-WNCULLNHSA-N 1 0 484.689 3.587 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(N3CCC([C@@H](O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313926980 1071578119 /nfs/dbraw/zinc/57/81/19/1071578119.db2.gz GRVYKTVQJRXKSA-RDPSFJRHSA-N 1 0 486.680 3.691 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(N(C)CCC(F)F)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001313927241 1071579294 /nfs/dbraw/zinc/57/92/94/1071579294.db2.gz JITIXGCFDVLYOP-FQEVSTJZSA-N 1 0 460.617 3.866 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313927609 1071580791 /nfs/dbraw/zinc/58/07/91/1071580791.db2.gz KQTFLJCCFVLEDR-KDYSTLNUSA-N 1 0 486.680 3.675 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313927861 1071581935 /nfs/dbraw/zinc/58/19/35/1071581935.db2.gz PKRCZOXRBBYQGN-MYDTUXCISA-N 1 0 492.778 3.945 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001313928106 1071582709 /nfs/dbraw/zinc/58/27/09/1071582709.db2.gz QEEITJHACSWUAC-LADGPHEKSA-N 1 0 486.730 3.766 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313929375 1071586821 /nfs/dbraw/zinc/58/68/21/1071586821.db2.gz ZEXONPNXEGXBGZ-QFIPXVFZSA-N 1 0 484.689 3.764 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(C)CCCS2)C[C@@H]1C ZINC001313931679 1071592717 /nfs/dbraw/zinc/59/27/17/1071592717.db2.gz SDEQTRXMLLUGLL-GAJHUEQPSA-N 1 0 477.078 3.678 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2c(C)cccc2C)C[C@H]1C ZINC001313932771 1071596162 /nfs/dbraw/zinc/59/61/62/1071596162.db2.gz IXGWXHMHFCEGCH-GJZUVCINSA-N 1 0 455.647 3.709 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001315084152 1071592731 /nfs/dbraw/zinc/59/27/31/1071592731.db2.gz IKYBANONNYCWFE-OAQYLSRUSA-N 1 0 469.630 3.738 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001313934168 1071600975 /nfs/dbraw/zinc/60/09/75/1071600975.db2.gz PUCAZMHBAZCRKX-KRWDZBQOSA-N 1 0 487.530 3.717 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](OC)C2CC2)C[C@H]1C ZINC001313934329 1071601616 /nfs/dbraw/zinc/60/16/16/1071601616.db2.gz RHZWCKYXUDKYOI-KUHUBIRLSA-N 1 0 466.399 3.802 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nccn2C(F)F)C[C@@H]1C ZINC001313935093 1071604721 /nfs/dbraw/zinc/60/47/21/1071604721.db2.gz WGFWQZIHRWZYEN-AWEZNQCLSA-N 1 0 480.361 3.878 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(CC)CCCC2)C[C@@H]1C ZINC001313935145 1071604845 /nfs/dbraw/zinc/60/48/45/1071604845.db2.gz XNXSJBLOMFENEL-FQEVSTJZSA-N 1 0 488.702 3.696 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(CCOC)CCC2)C[C@H]1C ZINC001313935755 1071606693 /nfs/dbraw/zinc/60/66/93/1071606693.db2.gz YEQMISVQPNUPLP-LJQANCHMSA-N 1 0 457.619 3.700 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccco2)C[C@H]1C ZINC001313936317 1071607841 /nfs/dbraw/zinc/60/78/41/1071607841.db2.gz DFNIYBFMYKCOKC-RTBURBONSA-N 1 0 458.607 3.564 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)C2CC2)C[C@@H]1C ZINC001313936656 1071609093 /nfs/dbraw/zinc/60/90/93/1071609093.db2.gz HJOOMXFDFYSLTP-PZJWPPBQSA-N 1 0 490.693 3.943 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](SC)C(C)(C)C)C[C@H]1C ZINC001313937303 1071610749 /nfs/dbraw/zinc/61/07/49/1071610749.db2.gz LBJTVVIDKUMKEE-TZIWHRDSSA-N 1 0 486.734 3.760 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2[C@@H]2C[C@H]2CF)C[C@@H]1C ZINC001313937452 1071610775 /nfs/dbraw/zinc/61/07/75/1071610775.db2.gz UODQKZVVCVKAKS-JLJPHGGASA-N 1 0 452.372 3.777 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313937493 1071611374 /nfs/dbraw/zinc/61/13/74/1071611374.db2.gz VIBOHNZSWJHKCO-RTBURBONSA-N 1 0 472.634 3.645 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CCc3ccccc3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001313940530 1071615561 /nfs/dbraw/zinc/61/55/61/1071615561.db2.gz NDBTZLPSDISBDG-IBGZPJMESA-N 1 0 488.558 3.978 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3OC)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001313938512 1071612101 /nfs/dbraw/zinc/61/21/01/1071612101.db2.gz JXLUULDKGZBINR-GOSISDBHSA-N 1 0 480.579 3.758 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2cccnc2OCCOC)C[C@H]1C ZINC001313940798 1071615595 /nfs/dbraw/zinc/61/55/95/1071615595.db2.gz YTHAZCAPXVYLLI-GOSISDBHSA-N 1 0 471.005 3.597 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ncccc2N(C)C)C[C@@H]1C ZINC001313941184 1071616284 /nfs/dbraw/zinc/61/62/84/1071616284.db2.gz AHKXHYQDZIOAEB-NRFANRHFSA-N 1 0 463.630 3.514 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2nccs2)C[C@@H]1C ZINC001313941430 1071617057 /nfs/dbraw/zinc/61/70/57/1071617057.db2.gz CWPUOMNFPVSCKA-HNNXBMFYSA-N 1 0 477.432 3.655 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC(C)C)c2ccccc2OC)C[C@@H]1C ZINC001313942079 1071619625 /nfs/dbraw/zinc/61/96/25/1071619625.db2.gz YXXJWCYICIUQNZ-SQJMNOBHSA-N 1 0 478.641 3.969 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313942222 1071619664 /nfs/dbraw/zinc/61/96/64/1071619664.db2.gz OIWBAAXXNMENCC-FQEVSTJZSA-N 1 0 464.614 3.829 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Sc2ccccc2)C[C@H]1C ZINC001313943067 1071621892 /nfs/dbraw/zinc/62/18/92/1071621892.db2.gz PDHIQQCMKYALEP-NHCUHLMSSA-N 1 0 453.660 3.851 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313945533 1071626754 /nfs/dbraw/zinc/62/67/54/1071626754.db2.gz IYOAPJPEWHTTPR-MOPGFXCFSA-N 1 0 474.625 3.699 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCC=C(C)C)C2)CC1 ZINC001313945823 1071627350 /nfs/dbraw/zinc/62/73/50/1071627350.db2.gz URMGRQSGNAXZPL-LJQANCHMSA-N 1 0 476.467 3.608 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313945771 1071627408 /nfs/dbraw/zinc/62/74/08/1071627408.db2.gz KSKLOPUNCBMFJE-KRWDZBQOSA-N 1 0 471.005 3.513 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C3CCCC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC001313943472 1071623204 /nfs/dbraw/zinc/62/32/04/1071623204.db2.gz STGSUYWAMVZXJF-JTSKRJEESA-N 1 0 451.537 3.916 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CCCN2CCCCC2=O)C[C@@H]1C ZINC001313946838 1071630491 /nfs/dbraw/zinc/63/04/91/1071630491.db2.gz CXRSKLLEZXSTBI-FQEVSTJZSA-N 1 0 486.686 3.512 20 0 JHADRO CCN1CCN(C2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)CC2)C1=O ZINC001313947410 1071631453 /nfs/dbraw/zinc/63/14/53/1071631453.db2.gz LIJZNLLFCXFBKQ-NRFANRHFSA-N 1 0 473.710 3.715 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(OC)C2CC2)C[C@@H]1C ZINC001313947419 1071631724 /nfs/dbraw/zinc/63/17/24/1071631724.db2.gz HARVFOLXZNAHPN-MHECFPHRSA-N 1 0 459.660 3.925 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2nnc(C)s2)C[C@H]1C ZINC001313947461 1071632351 /nfs/dbraw/zinc/63/23/51/1071632351.db2.gz HJQZXJPXXNPUAY-MRXNPFEDSA-N 1 0 476.050 3.834 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[C@@H]2CCO[C@H](C)C2)C[C@H]1C ZINC001313948187 1071633392 /nfs/dbraw/zinc/63/33/92/1071633392.db2.gz JYXGTYAUGVXHLN-NJDAHSKKSA-N 1 0 457.619 3.601 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001313948680 1071634616 /nfs/dbraw/zinc/63/46/16/1071634616.db2.gz FOYOJMXOXFPXOM-FQEVSTJZSA-N 1 0 472.678 3.904 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC(C(=O)c4ccc(O)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313950624 1071639408 /nfs/dbraw/zinc/63/94/08/1071639408.db2.gz AXGVNUYDHPTOBU-NRFANRHFSA-N 1 0 496.700 3.654 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001313950793 1071640014 /nfs/dbraw/zinc/64/00/14/1071640014.db2.gz QRKYKACPGQENSL-HXUWFJFHSA-N 1 0 480.661 3.670 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313951409 1071641661 /nfs/dbraw/zinc/64/16/61/1071641661.db2.gz TUZBCJFLQQBFCW-IBGZPJMESA-N 1 0 458.651 3.514 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001313952332 1071645264 /nfs/dbraw/zinc/64/52/64/1071645264.db2.gz DTKTVBMYXIJIMA-SFHVURJKSA-N 1 0 467.584 3.716 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCC(=Cc3cccc(OC)c3)CC2)CC1 ZINC001313951795 1071643566 /nfs/dbraw/zinc/64/35/66/1071643566.db2.gz WIHJVYPGAXADNQ-OAQYLSRUSA-N 1 0 452.647 3.553 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCCO[C@@H](c4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313952525 1071645818 /nfs/dbraw/zinc/64/58/18/1071645818.db2.gz RJRQOGDGHNKMQM-LADGPHEKSA-N 1 0 468.690 3.817 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCS[C@H](C)C2)CC1 ZINC001313952776 1071647069 /nfs/dbraw/zinc/64/70/69/1071647069.db2.gz CFMGFLYJPKVWPK-LJQANCHMSA-N 1 0 493.121 3.967 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCC(C)C)CC1 ZINC001313953317 1071648306 /nfs/dbraw/zinc/64/83/06/1071648306.db2.gz XMKMKSVQOWEGCH-DNVJHFABSA-N 1 0 462.727 3.953 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2CCN(c3ccccc3F)C[C@@H]2C)CC1 ZINC001313953713 1071649593 /nfs/dbraw/zinc/64/95/93/1071649593.db2.gz ILRKUQQDIBBHKB-QHCPKHFHSA-N 1 0 485.696 3.749 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3OC)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001313953898 1071650004 /nfs/dbraw/zinc/65/00/04/1071650004.db2.gz KSULKIFSWVJWFS-DHIUTWEWSA-N 1 0 468.690 3.920 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3OC)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001313953900 1071650084 /nfs/dbraw/zinc/65/00/84/1071650084.db2.gz KSULKIFSWVJWFS-PKTZIBPZSA-N 1 0 468.690 3.920 20 0 JHADRO CCN1CC[NH+](CCCCn2c(C3CCCC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313954660 1071652436 /nfs/dbraw/zinc/65/24/36/1071652436.db2.gz UBAWIVZIPVTECN-UHFFFAOYSA-N 1 0 465.484 3.842 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001313954715 1071652499 /nfs/dbraw/zinc/65/24/99/1071652499.db2.gz PECOEJLSHWZRMC-LEWJYISDSA-N 1 0 475.081 3.877 20 0 JHADRO CCN1CC[NH+](CCCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCSC[C@H]2C)CC1 ZINC001313954900 1071653592 /nfs/dbraw/zinc/65/35/92/1071653592.db2.gz WXPKNGNCUSOLPW-HSZRJFAPSA-N 1 0 486.730 3.833 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001313955010 1071653659 /nfs/dbraw/zinc/65/36/59/1071653659.db2.gz DEMAGBCUGPLEJF-ZCYQVOJMSA-N 1 0 498.716 3.690 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2C[C@@H](c3ccsc3)O[C@@H](C)C2)CC1 ZINC001313954890 1071653685 /nfs/dbraw/zinc/65/36/85/1071653685.db2.gz WJTAAMBFJUOFQU-GMAHTHKFSA-N 1 0 474.719 3.922 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001313955849 1071656635 /nfs/dbraw/zinc/65/66/35/1071656635.db2.gz IVADBBOSSQYSPO-PWRODBHTSA-N 1 0 474.644 3.903 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313957015 1071658799 /nfs/dbraw/zinc/65/87/99/1071658799.db2.gz AWURYRYILQVQHH-MRXNPFEDSA-N 1 0 499.548 3.738 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313957798 1071661188 /nfs/dbraw/zinc/66/11/88/1071661188.db2.gz IVXRDENQKDUHEH-OAQYLSRUSA-N 1 0 463.095 3.958 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCc3c(F)ccc(F)c3C2)CC1 ZINC001313957902 1071661769 /nfs/dbraw/zinc/66/17/69/1071661769.db2.gz RYPYDNSLZSZJET-LJQANCHMSA-N 1 0 460.617 3.591 20 0 JHADRO CCn1nc(-c2nnc(N(C)[C@@H](C)CCSC)n2CC2([NH+](C)C)CCC2)c2ccccc2c1=O ZINC001313958385 1071663460 /nfs/dbraw/zinc/66/34/60/1071663460.db2.gz BKFAYGMPUYQSTL-SFHVURJKSA-N 1 0 483.686 3.737 20 0 JHADRO CCn1nc(-c2nnc(N(C)CCC(F)(F)F)n2CCC[NH+]2CCCCC2)c2ccccc2c1=O ZINC001313960181 1071669358 /nfs/dbraw/zinc/66/93/58/1071669358.db2.gz FZQCGYCYXOUNLB-UHFFFAOYSA-N 1 0 491.562 3.940 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313962339 1071674575 /nfs/dbraw/zinc/67/45/75/1071674575.db2.gz ITKIYTYCOABNFF-UFYCRDLUSA-N 1 0 465.646 3.743 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cccc(C)c3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313960171 1071669393 /nfs/dbraw/zinc/66/93/93/1071669393.db2.gz FIQGCVIQOJACOK-UHFFFAOYSA-N 1 0 484.689 3.587 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001313961080 1071671709 /nfs/dbraw/zinc/67/17/09/1071671709.db2.gz QBZGGNSBVXGFCI-LEWJYISDSA-N 1 0 458.626 3.506 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3F)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313961626 1071673400 /nfs/dbraw/zinc/67/34/00/1071673400.db2.gz VKYRYCURIGMSLL-UHFFFAOYSA-N 1 0 456.654 3.908 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC(F)(F)F)CC1 ZINC001313961588 1071673540 /nfs/dbraw/zinc/67/35/40/1071673540.db2.gz VTVWFBRXQZQWJV-KRWDZBQOSA-N 1 0 472.531 3.583 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)ccc3C)nnc2N2CC[C@@H](C(C)C)C2)CC1 ZINC001313961947 1071673833 /nfs/dbraw/zinc/67/38/33/1071673833.db2.gz ZYFIUGKZRLTBLC-XMMPIXPASA-N 1 0 468.690 3.984 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313966871 1071687830 /nfs/dbraw/zinc/68/78/30/1071687830.db2.gz GRHWARMTTWGEJW-UHFFFAOYSA-N 1 0 477.657 3.966 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001313969522 1071693643 /nfs/dbraw/zinc/69/36/43/1071693643.db2.gz PPGRJQCKYUQJRQ-UHFFFAOYSA-N 1 0 452.647 3.729 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313974076 1071701978 /nfs/dbraw/zinc/70/19/78/1071701978.db2.gz OLVGFWDPYPTBSL-OFNKIYASSA-N 1 0 466.674 3.882 20 0 JHADRO CCNC(=O)C1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC([NH+](CC)CC)CC2)CCC1 ZINC001313975126 1071704582 /nfs/dbraw/zinc/70/45/82/1071704582.db2.gz LSBSSNIWCTVPOU-UHFFFAOYSA-N 1 0 468.646 3.571 20 0 JHADRO CCNC(=O)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC001313982589 1071719253 /nfs/dbraw/zinc/71/92/53/1071719253.db2.gz CAUSMVLJHVUZON-XMMPIXPASA-N 1 0 482.673 3.874 20 0 JHADRO CCNC(=O)c1cccc(Cn2c(N3CCC(C[N@H+](C)C(C)C)CC3)nnc2C(C)(C)C)c1 ZINC001313987244 1071724863 /nfs/dbraw/zinc/72/48/63/1071724863.db2.gz KLWJXXUOACKILY-UHFFFAOYSA-N 1 0 454.663 3.930 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001313993425 1071727417 /nfs/dbraw/zinc/72/74/17/1071727417.db2.gz KBPBYVWMYKVSKG-DFBJGRDBSA-N 1 0 488.080 3.961 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+](C)[C@@H](C)CC)CC1 ZINC001313996173 1071732531 /nfs/dbraw/zinc/73/25/31/1071732531.db2.gz SFCRUMIZWSREQV-OALUTQOASA-N 1 0 492.068 3.653 20 0 JHADRO CCNC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+](C)[C@H](C)CC)CC1 ZINC001313996172 1071732604 /nfs/dbraw/zinc/73/26/04/1071732604.db2.gz SFCRUMIZWSREQV-MOPGFXCFSA-N 1 0 492.068 3.653 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313999727 1071736466 /nfs/dbraw/zinc/73/64/66/1071736466.db2.gz ANEGNCKEJGYKNK-DHIUTWEWSA-N 1 0 495.716 3.671 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001314015281 1071756733 /nfs/dbraw/zinc/75/67/33/1071756733.db2.gz CNBUVTCUORTVET-QGZVFWFLSA-N 1 0 479.025 3.518 20 0 JHADRO CCOC(=O)N1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001314017850 1071764128 /nfs/dbraw/zinc/76/41/28/1071764128.db2.gz URHSGYPKDVGMQH-DHIUTWEWSA-N 1 0 468.646 3.973 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001314019057 1071767368 /nfs/dbraw/zinc/76/73/68/1071767368.db2.gz DDSBSTSVQMWJQM-UHFFFAOYSA-N 1 0 465.602 3.502 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001314020019 1071770088 /nfs/dbraw/zinc/77/00/88/1071770088.db2.gz SJGYNSBFNBETBU-GOSISDBHSA-N 1 0 481.016 3.992 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001314022227 1071775917 /nfs/dbraw/zinc/77/59/17/1071775917.db2.gz JCQAUXAFBYRWHP-OAQYLSRUSA-N 1 0 481.645 3.605 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001314024261 1071781769 /nfs/dbraw/zinc/78/17/69/1071781769.db2.gz QLJMEQRCBNYWBL-UHFFFAOYSA-N 1 0 484.645 3.709 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001314027281 1071792289 /nfs/dbraw/zinc/79/22/89/1071792289.db2.gz DNWRCBRNHSQYDD-VQTJNVASSA-N 1 0 458.607 3.682 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001314029080 1071797379 /nfs/dbraw/zinc/79/73/79/1071797379.db2.gz AMOZJOZOVKKOFV-QHCPKHFHSA-N 1 0 491.640 3.945 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2CC[N@H+](CC)CCC(F)(F)F)C1 ZINC001314028273 1071794648 /nfs/dbraw/zinc/79/46/48/1071794648.db2.gz CFXOIWUCMKFJPV-INIZCTEOSA-N 1 0 462.561 3.565 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](C)[NH+](C)C)C1 ZINC001314033860 1071815588 /nfs/dbraw/zinc/81/55/88/1071815588.db2.gz PYWFSSXROZASCY-MJGOQNOKSA-N 1 0 474.675 3.941 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001314034630 1071818656 /nfs/dbraw/zinc/81/86/56/1071818656.db2.gz WKSFIZBMCWYPET-HXUWFJFHSA-N 1 0 484.645 3.933 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC001314037083 1071829639 /nfs/dbraw/zinc/82/96/39/1071829639.db2.gz JVDZMSTULZPQJI-PKTZIBPZSA-N 1 0 486.636 3.987 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001314037161 1071830189 /nfs/dbraw/zinc/83/01/89/1071830189.db2.gz DPLUFPGYFJQDFA-FYYLOGMGSA-N 1 0 477.613 3.666 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001314042515 1071848915 /nfs/dbraw/zinc/84/89/15/1071848915.db2.gz JNYKARCJCBRMRW-FQEVSTJZSA-N 1 0 491.036 3.711 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314042499 1071848937 /nfs/dbraw/zinc/84/89/37/1071848937.db2.gz YVGQHOVXGWRIAR-FNAHDJPLSA-N 1 0 490.693 3.644 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001314042518 1071848950 /nfs/dbraw/zinc/84/89/50/1071848950.db2.gz JNYKARCJCBRMRW-HXUWFJFHSA-N 1 0 491.036 3.711 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001314044257 1071855860 /nfs/dbraw/zinc/85/58/60/1071855860.db2.gz FSVRDPFAUGTBFU-PZJWPPBQSA-N 1 0 489.690 3.613 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2CCCC2)C1 ZINC001314044401 1071855928 /nfs/dbraw/zinc/85/59/28/1071855928.db2.gz RPGNKIJZKGJJJA-QFIPXVFZSA-N 1 0 484.645 3.675 20 0 JHADRO CCO[C@H](CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)C(C)C ZINC001314057822 1071888045 /nfs/dbraw/zinc/88/80/45/1071888045.db2.gz TVPVIJCPEDPAMX-LUGTWXOSSA-N 1 0 476.710 3.622 20 0 JHADRO CCO[C@H](C)c1noc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001314062767 1071902404 /nfs/dbraw/zinc/90/24/04/1071902404.db2.gz MBPBYOABSWAIQW-MJGOQNOKSA-N 1 0 468.606 3.577 20 0 JHADRO CCO[C@@H](CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)C(C)C ZINC001314065759 1071912106 /nfs/dbraw/zinc/91/21/06/1071912106.db2.gz SBHXFIIJNZSUET-DEOSSOPVSA-N 1 0 465.646 3.842 20 0 JHADRO CCO[C@H](CCn1c(-c2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1)C(C)C ZINC001314066882 1071914165 /nfs/dbraw/zinc/91/41/65/1071914165.db2.gz QHWMIFALNPYRQC-HSZRJFAPSA-N 1 0 459.610 3.836 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)[C@H](C)c3ccccc3F)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001314074932 1071930878 /nfs/dbraw/zinc/93/08/78/1071930878.db2.gz NYPJYMBZDAJRFU-NLFFAJNJSA-N 1 0 459.610 3.999 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@H]2CC[N@H+](CC)C2)CCOC1 ZINC001314080835 1071942634 /nfs/dbraw/zinc/94/26/34/1071942634.db2.gz GNOBKVXXTLCPOX-WMZHIEFXSA-N 1 0 481.563 3.927 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC2([NH+](C)C)CCOCC2)CCOC1 ZINC001314082175 1071946100 /nfs/dbraw/zinc/94/61/00/1071946100.db2.gz ZIWYYQMJRPSDAY-CJAUYULYSA-N 1 0 493.599 3.517 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC2([NH+](C)C)CCOCC2)CCOC1 ZINC001314082176 1071946174 /nfs/dbraw/zinc/94/61/74/1071946174.db2.gz ZIWYYQMJRPSDAY-IQGLISFBSA-N 1 0 493.599 3.517 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3ccc(OC)c(F)c3)n2CC[NH+]2CCCCCC2)CCOC1 ZINC001314082920 1071946599 /nfs/dbraw/zinc/94/65/99/1071946599.db2.gz GKNTXIKQVPCBDE-VWLOTQADSA-N 1 0 475.609 3.590 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@@H](C(C)C)N2CCOCC2)CCOC1 ZINC001314082647 1071946646 /nfs/dbraw/zinc/94/66/46/1071946646.db2.gz NGTKEEXOVRPOFP-DHLKQENFSA-N 1 0 492.064 3.577 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@H](CC)[NH+]2CCCC2)CCOC1 ZINC001314083577 1071949458 /nfs/dbraw/zinc/94/94/58/1071949458.db2.gz IXWGDAMBVMEXOP-GBXCKJPGSA-N 1 0 463.573 3.719 20 0 JHADRO CCO[C@]1(c2nnc(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2CCCC(F)(F)F)CCOC1 ZINC001314085730 1071955038 /nfs/dbraw/zinc/95/50/38/1071955038.db2.gz WRAKPTFLCIFRNN-NFBKMPQASA-N 1 0 481.563 3.983 20 0 JHADRO CCO[C@]1(c2nnc(N(C)C/C(C)=C/c3ccccc3)n2CC[N@@H+]2CCC[C@@H]2C)CCOC1 ZINC001314085911 1071955633 /nfs/dbraw/zinc/95/56/33/1071955633.db2.gz QYTFFMIAXVRRSJ-FRFAPOFNSA-N 1 0 453.631 3.954 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC[NH+]2CCCCC2)CCOC1 ZINC001314087723 1071961326 /nfs/dbraw/zinc/96/13/26/1071961326.db2.gz ZIBMBSWSEWFHIR-FQEVSTJZSA-N 1 0 488.580 3.528 20 0 JHADRO CCO[C@@]1(c2nnc(N(CC)C3CCCC3)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001314093158 1071970781 /nfs/dbraw/zinc/97/07/81/1071970781.db2.gz LSTRVDYUXOTGMF-QHCPKHFHSA-N 1 0 451.681 3.527 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001314093933 1071971970 /nfs/dbraw/zinc/97/19/70/1071971970.db2.gz INYQRRXYGXTTSI-HKARXFIJSA-N 1 0 466.001 3.690 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001314099101 1071980920 /nfs/dbraw/zinc/98/09/20/1071980920.db2.gz PVNAOPLAGUBKQT-IDISGSTGSA-N 1 0 485.673 3.845 20 0 JHADRO CCO[C@]1(c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CC(CC)(CC)SC)CCOC1 ZINC001314106269 1071997308 /nfs/dbraw/zinc/99/73/08/1071997308.db2.gz PBJQSEORTGLYPZ-SFYKDHMMSA-N 1 0 451.681 3.525 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)n2CCOC(C)(C)C)CCOC1 ZINC001314108084 1072000455 /nfs/dbraw/zinc/00/04/55/1072000455.db2.gz UERBANDRPYXQNL-CUNXSJBXSA-N 1 0 485.673 3.846 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(CC(F)(F)F)CC3)n2CC[N@H+](CC)C2CC2)CCOC1 ZINC001314112920 1072008149 /nfs/dbraw/zinc/00/81/49/1072008149.db2.gz NCWBOXNPSOLFJY-NRFANRHFSA-N 1 0 459.557 3.583 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ccc(C)cc2SC)CCOC1 ZINC001314116053 1072014401 /nfs/dbraw/zinc/01/44/01/1072014401.db2.gz AOQCKYJJISCZSU-VWLOTQADSA-N 1 0 473.687 3.976 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H](CC)[NH+]2CCCC2)CCOC1 ZINC001314113976 1072010302 /nfs/dbraw/zinc/01/03/02/1072010302.db2.gz QTURGBQGJBQEJX-IERDGZPVSA-N 1 0 458.434 3.704 20 0 JHADRO 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CCO[C@]1(c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2Cc2ccc(C(F)(F)F)cc2C)CCOC1 ZINC001314138760 1072051482 /nfs/dbraw/zinc/05/14/82/1072051482.db2.gz YUQQQKSTEQWDLE-FDDCHVKYSA-N 1 0 481.563 3.836 20 0 JHADRO CCO[C@]1(c2nnc(N3CCOC(C)(C)C3)n2C[C@H](c2ccccc2)[NH+](CC)CC)CCOC1 ZINC001314140636 1072053935 /nfs/dbraw/zinc/05/39/35/1072053935.db2.gz MFQVYESBFFQLEH-ATIYNZHBSA-N 1 0 471.646 3.629 20 0 JHADRO CCO[C@]1(c2nnc(N3CCSC[C@@H]3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314142165 1072057314 /nfs/dbraw/zinc/05/73/14/1072057314.db2.gz DVQRPGQFBYOAQM-SEDAZVQISA-N 1 0 465.708 3.630 20 0 JHADRO CCc1ccc(-c2nnc(N(C)C[C@@H]3CCN(C(C)=O)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001305925799 1068221487 /nfs/dbraw/zinc/22/14/87/1068221487.db2.gz UQSHMFAYZCXXKJ-QHCPKHFHSA-N 1 0 454.663 3.931 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001305928417 1068226876 /nfs/dbraw/zinc/22/68/76/1068226876.db2.gz GSHIKUYZHMPBPL-UHFFFAOYSA-N 1 0 496.700 3.703 20 0 JHADRO CCc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCCC(=O)N(CC)CC)cc1 ZINC001305928797 1068227779 /nfs/dbraw/zinc/22/77/79/1068227779.db2.gz LQQGFOOSJUFXMR-NFBKMPQASA-N 1 0 452.647 3.829 20 0 JHADRO CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CC2(COC)CCOCC2)cc1 ZINC001305928878 1068228383 /nfs/dbraw/zinc/22/83/83/1068228383.db2.gz MBZCPSSEPKWTSA-SFTDATJTSA-N 1 0 455.647 3.870 20 0 JHADRO CCc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001305928875 1068228448 /nfs/dbraw/zinc/22/84/48/1068228448.db2.gz MPMKGHAVVJHRLX-XZOQPEGZSA-N 1 0 455.647 3.726 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC(N4CCCC4=O)CC3)n2CC[N@@H+](C)[C@H](C)CC)cc1 ZINC001305934641 1068235686 /nfs/dbraw/zinc/23/56/86/1068235686.db2.gz MJNLUUNPNSHVOV-HXUWFJFHSA-N 1 0 452.647 3.829 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC(S(=O)(=O)CC)CC3)n2CCC[NH+]2CCCCC2)cc1 ZINC001305936687 1068240121 /nfs/dbraw/zinc/24/01/21/1068240121.db2.gz CCYHOOQTPDPTJV-UHFFFAOYSA-N 1 0 473.687 3.787 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001305938696 1068245094 /nfs/dbraw/zinc/24/50/94/1068245094.db2.gz ASNYDYLABJKLFV-MHZLTWQESA-N 1 0 468.690 3.929 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@H](C(=O)NC)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001305939246 1068246606 /nfs/dbraw/zinc/24/66/06/1068246606.db2.gz OIXJQBJCNTWGOE-QFIPXVFZSA-N 1 0 452.647 3.592 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@@H](C(=O)NC)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001305939245 1068246714 /nfs/dbraw/zinc/24/67/14/1068246714.db2.gz OIXJQBJCNTWGOE-JOCHJYFZSA-N 1 0 452.647 3.592 20 0 JHADRO CCc1ccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001305941269 1068249778 /nfs/dbraw/zinc/24/97/78/1068249778.db2.gz MTAHPGYPHCWFTM-QHCPKHFHSA-N 1 0 473.687 3.643 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@H](OCCOC)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001305941695 1068251438 /nfs/dbraw/zinc/25/14/38/1068251438.db2.gz NDAGMBHQSJCFHI-URXFXBBRSA-N 1 0 455.647 3.871 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@@H](OCCOC)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001305941697 1068251462 /nfs/dbraw/zinc/25/14/62/1068251462.db2.gz NDAGMBHQSJCFHI-XUZZJYLKSA-N 1 0 455.647 3.871 20 0 JHADRO CCc1ccc(-c2nnc(N3CCC[C@H](NC(C)=O)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001305941807 1068251865 /nfs/dbraw/zinc/25/18/65/1068251865.db2.gz NPKKQHNFHCGJNV-ROKPMTFOSA-N 1 0 452.647 3.733 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(C(=O)N(CC)CC)CC3)n2CC[N@@H+](C)[C@@H](C)CC)cc1 ZINC001305942348 1068253304 /nfs/dbraw/zinc/25/33/04/1068253304.db2.gz GOQGHHVMIGMDTI-NRFANRHFSA-N 1 0 469.678 3.822 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2C[C@@H](C(CC)CC)[NH+](C)C)cc1 ZINC001305942937 1068254445 /nfs/dbraw/zinc/25/44/45/1068254445.db2.gz JPRMCRDSQVIUNV-DQEYMECFSA-N 1 0 496.700 3.702 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2cnccc2OC)cc1 ZINC001305947370 1068263860 /nfs/dbraw/zinc/26/38/60/1068263860.db2.gz CWWBGKAEXQDTTJ-UHFFFAOYSA-N 1 0 464.614 3.506 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001305947580 1068265735 /nfs/dbraw/zinc/26/57/35/1068265735.db2.gz HVDNJXQQKQVTJY-WOJBJXKFSA-N 1 0 494.606 3.549 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCCNC(=O)OC(C)(C)C)cc1 ZINC001305947770 1068266108 /nfs/dbraw/zinc/26/61/08/1068266108.db2.gz KPQBTTRUBWWETC-UHFFFAOYSA-N 1 0 468.646 3.954 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001305947898 1068266952 /nfs/dbraw/zinc/26/69/52/1068266952.db2.gz OEUMMZFEUYDDMO-FQEVSTJZSA-N 1 0 458.557 3.791 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2CCOC[C@@H]2C)cc1 ZINC001305948069 1068267680 /nfs/dbraw/zinc/26/76/80/1068267680.db2.gz PNQVUJNVMPLXHN-URXFXBBRSA-N 1 0 455.647 3.727 20 0 JHADRO CCc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC001305950525 1068274061 /nfs/dbraw/zinc/27/40/61/1068274061.db2.gz SQQIGKMQASOPNJ-RDPSFJRHSA-N 1 0 455.647 3.870 20 0 JHADRO CCc1ccc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[C@@H](C)[NH+]3CCCCC3)CCO2)cc1 ZINC001305953241 1068278626 /nfs/dbraw/zinc/27/86/26/1068278626.db2.gz GLLXCDJYYYXWLG-QPPBQGQZSA-N 1 0 482.673 3.821 20 0 JHADRO CCc1ccc([C@@H]2CN(c3nnc(C(=O)NC(CC)CC)n3CC[N@@H+]3CCC[C@@H]3C)CCO2)cc1 ZINC001305953172 1068278737 /nfs/dbraw/zinc/27/87/37/1068278737.db2.gz GBULWDIKTKPAGR-RDPSFJRHSA-N 1 0 482.673 3.821 20 0 JHADRO CCc1ccc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C[NH+]3CCCC3)CCO2)cc1 ZINC001305954402 1068280395 /nfs/dbraw/zinc/28/03/95/1068280395.db2.gz MKHITLUKMWCELH-HSZRJFAPSA-N 1 0 482.673 3.679 20 0 JHADRO CCc1ccc(CCn2c([C@H](C)CC)nnc2N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC001305956864 1068284586 /nfs/dbraw/zinc/28/45/86/1068284586.db2.gz HLWAGEOBSTWZTA-TVZXLZGTSA-N 1 0 480.701 3.976 20 0 JHADRO CCc1ccc(CCn2c([C@H](C)CC)nnc2N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)cc1 ZINC001305956866 1068284661 /nfs/dbraw/zinc/28/46/61/1068284661.db2.gz HLWAGEOBSTWZTA-UFPGJGBJSA-N 1 0 480.701 3.976 20 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CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305974659 1068310771 /nfs/dbraw/zinc/31/07/71/1068310771.db2.gz NLAZOVXEJFNKCP-FCHUYYIVSA-N 1 0 468.646 3.684 20 0 JHADRO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305974661 1068310797 /nfs/dbraw/zinc/31/07/97/1068310797.db2.gz NLAZOVXEJFNKCP-VXKWHMMOSA-N 1 0 468.646 3.684 20 0 JHADRO CCc1ccc(-c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001305976662 1068315960 /nfs/dbraw/zinc/31/59/60/1068315960.db2.gz WICOXULOOWLEEO-GKIBHXGMSA-N 1 0 455.647 3.726 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001305977817 1068318404 /nfs/dbraw/zinc/31/84/04/1068318404.db2.gz GTDQMMFPZKDGGR-VXKWHMMOSA-N 1 0 482.673 3.599 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[C@@H](C(=O)OC)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001305978390 1068319214 /nfs/dbraw/zinc/31/92/14/1068319214.db2.gz FSUTTWLJQJZYOS-IFMALSPDSA-N 1 0 469.630 3.541 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[C@H](C(=O)OC)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001305978391 1068319496 /nfs/dbraw/zinc/31/94/96/1068319496.db2.gz FSUTTWLJQJZYOS-IRLDBZIGSA-N 1 0 469.630 3.541 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CC[NH+]1CCCCCC1 ZINC001305984845 1068333365 /nfs/dbraw/zinc/33/33/65/1068333365.db2.gz CZYLYHANZBZWTL-QHCPKHFHSA-N 1 0 496.700 3.989 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCN(C(C)=O)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001305985241 1068334788 /nfs/dbraw/zinc/33/47/88/1068334788.db2.gz GTLFTTIYJWGYBU-QFIPXVFZSA-N 1 0 482.673 3.600 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@H+](C)C(C)C ZINC001305986120 1068337232 /nfs/dbraw/zinc/33/72/32/1068337232.db2.gz NIMBYGPBMRAOPD-UHFFFAOYSA-N 1 0 482.673 3.741 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCc1csc(C)n1 ZINC001305990723 1068350887 /nfs/dbraw/zinc/35/08/87/1068350887.db2.gz ZLQGHXWEDHULJH-SFHVURJKSA-N 1 0 454.644 3.958 20 0 JHADRO CCc1cnc(CCn2c(C(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)s1 ZINC001305991073 1068352061 /nfs/dbraw/zinc/35/20/61/1068352061.db2.gz WTYRCMPBXSGGPU-UHFFFAOYSA-N 1 0 459.708 3.658 20 0 JHADRO CCc1nc(C)c(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[NH+](CC3CCCCC3)CC2)o1 ZINC001306001691 1068373515 /nfs/dbraw/zinc/37/35/15/1068373515.db2.gz BDTMSJUCNMQMGH-UHFFFAOYSA-N 1 0 485.677 3.806 20 0 JHADRO CCc1csc([C@H]2CCCN(c3nnc(-c4cnn(C)c4)n3C[C@H](C)[NH+](CC)CC)C2)n1 ZINC001306002731 1068377171 /nfs/dbraw/zinc/37/71/71/1068377171.db2.gz XAFDEFRFKYBQCZ-ROUUACIJSA-N 1 0 456.664 3.812 20 0 JHADRO CCc1nc(C)c([C@H](C)N(C)c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCC2)s1 ZINC001306005485 1068383375 /nfs/dbraw/zinc/38/33/75/1068383375.db2.gz SFDKYWPQOBHMIG-KRWDZBQOSA-N 1 0 482.658 3.934 20 0 JHADRO CCc1nc(C)c([C@@H](C)N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@H+]2CC)s1 ZINC001306006215 1068384616 /nfs/dbraw/zinc/38/46/16/1068384616.db2.gz VPXLFQIXEIJOIW-QZTJIDSGSA-N 1 0 482.658 3.934 20 0 JHADRO CCc1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)no1 ZINC001306019928 1068410012 /nfs/dbraw/zinc/41/00/12/1068410012.db2.gz PCZFJEKXIJZVLF-UHFFFAOYSA-N 1 0 458.010 3.631 20 0 JHADRO CCc1nc(CN(C)c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC001306022935 1068414808 /nfs/dbraw/zinc/41/48/08/1068414808.db2.gz AGFUQVDZYQUMEK-OAQYLSRUSA-N 1 0 468.671 3.846 20 0 JHADRO CCc1nc(CN2CCN(c3nnc(C(C)C)n3C[C@H]3CCC[N@@H+](C(C)C)C3)CC2)cs1 ZINC001306041360 1068455365 /nfs/dbraw/zinc/45/53/65/1068455365.db2.gz IYDJFYRHVTWPPP-FQEVSTJZSA-N 1 0 459.708 3.863 20 0 JHADRO CCc1nc2ccccc2n1C1CCN(c2nnc(C(C)(C)C)n2CCOCC[NH+](C)C)CC1 ZINC001306041800 1068457327 /nfs/dbraw/zinc/45/73/27/1068457327.db2.gz VPJCOQVQQGADAO-UHFFFAOYSA-N 1 0 467.662 3.907 20 0 JHADRO CCc1nn(C)c(OC)c1Cn1c(C(C)C)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001306048919 1068475695 /nfs/dbraw/zinc/47/56/95/1068475695.db2.gz GCNMHIQHAZWWLE-OAQYLSRUSA-N 1 0 465.646 3.855 20 0 JHADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001306048857 1068475737 /nfs/dbraw/zinc/47/57/37/1068475737.db2.gz CTNDQXBQSQQJMW-UHFFFAOYSA-N 1 0 493.144 3.726 20 0 JHADRO CCc1nn(C)c(OC)c1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001306049047 1068476542 /nfs/dbraw/zinc/47/65/42/1068476542.db2.gz AJBIDLKFPFNNCR-GOSISDBHSA-N 1 0 499.635 3.877 20 0 JHADRO CCc1nnc(Cn2c(-c3cccc(Br)c3)nnc2N2CC[NH+](CC(C)C)CC2)s1 ZINC001306054055 1068490966 /nfs/dbraw/zinc/49/09/66/1068490966.db2.gz OGQZRTOLXCKOPF-UHFFFAOYSA-N 1 0 490.475 3.948 20 0 JHADRO CC[N@H+](C)[C@H]1CCN(C(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)C1 ZINC001306054974 1068492640 /nfs/dbraw/zinc/49/26/40/1068492640.db2.gz DCIGEOZCQOOPFC-FQEVSTJZSA-N 1 0 455.624 3.973 20 0 JHADRO CCc1nnc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001306070072 1068505223 /nfs/dbraw/zinc/50/52/23/1068505223.db2.gz BOLHVPPATGUEID-QHCPKHFHSA-N 1 0 496.700 3.779 20 0 JHADRO CCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CCCCn1cc(Br)cn1 ZINC001306071830 1068506429 /nfs/dbraw/zinc/50/64/29/1068506429.db2.gz YTQJXIDXURYSRA-OAQYLSRUSA-N 1 0 486.462 3.991 20 0 JHADRO CCc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001306074534 1068507565 /nfs/dbraw/zinc/50/75/65/1068507565.db2.gz KGPCONHHBACHDJ-PWRODBHTSA-N 1 0 460.692 3.532 20 0 JHADRO CCc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001306076649 1068508559 /nfs/dbraw/zinc/50/85/59/1068508559.db2.gz UNSOGPYLEWJZAM-SFTDATJTSA-N 1 0 460.692 3.676 20 0 JHADRO Cc1[nH]nc(NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)c1-c1ccc2c(c1)OCCO2 ZINC001306083179 1068512477 /nfs/dbraw/zinc/51/24/77/1068512477.db2.gz GYTKYWTXIMUPJL-UHFFFAOYSA-N 1 0 450.539 3.668 20 0 JHADRO CCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCc1cccc(F)c1F ZINC001306092782 1068516462 /nfs/dbraw/zinc/51/64/62/1068516462.db2.gz QJVWJDQOGAPTBP-FDDCHVKYSA-N 1 0 457.573 3.614 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001306118762 1068526172 /nfs/dbraw/zinc/52/61/72/1068526172.db2.gz VAJPNPCYOIJDSW-OAQYLSRUSA-N 1 0 458.676 3.824 20 0 JHADRO CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306134536 1068537531 /nfs/dbraw/zinc/53/75/31/1068537531.db2.gz OTJOWQGPXJQNFF-OYRHEFFESA-N 1 0 458.695 3.874 20 0 JHADRO CCc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001306136436 1068539098 /nfs/dbraw/zinc/53/90/98/1068539098.db2.gz MIMZRJAMHOOCGO-FQEVSTJZSA-N 1 0 456.601 3.817 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001306141709 1068542627 /nfs/dbraw/zinc/54/26/27/1068542627.db2.gz IQBDREJPGMCKTH-XMMPIXPASA-N 1 0 494.640 3.761 20 0 JHADRO CCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001306142289 1068543723 /nfs/dbraw/zinc/54/37/23/1068543723.db2.gz OLIRNSGPUQUUHG-UHFFFAOYSA-N 1 0 473.735 3.832 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001306144873 1068547555 /nfs/dbraw/zinc/54/75/55/1068547555.db2.gz YSJJOWOYZYRDRC-LJQANCHMSA-N 1 0 466.655 3.821 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001306145144 1068547836 /nfs/dbraw/zinc/54/78/36/1068547836.db2.gz YJCYQPSDBLSVFO-HSZRJFAPSA-N 1 0 467.662 3.744 20 0 JHADRO CCc1nnc(N2CCC(S(=O)(=O)c3ccccc3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001306148971 1068551155 /nfs/dbraw/zinc/55/11/55/1068551155.db2.gz AALXXUANQDTCPO-UHFFFAOYSA-N 1 0 473.687 3.939 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001306157090 1068555371 /nfs/dbraw/zinc/55/53/71/1068555371.db2.gz MYCXMTBGVAWGAY-UXHICEINSA-N 1 0 453.635 3.519 20 0 JHADRO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001306158088 1068555832 /nfs/dbraw/zinc/55/58/32/1068555832.db2.gz SWRIMMWWSSKUAJ-SFTDATJTSA-N 1 0 453.635 3.519 20 0 JHADRO CCc1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001306161285 1068557430 /nfs/dbraw/zinc/55/74/30/1068557430.db2.gz IFXOGSZJZIRDMB-CTNGQTDRSA-N 1 0 487.718 3.747 20 0 JHADRO CCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCC(=O)NCc1ccccc1 ZINC001306165857 1068561755 /nfs/dbraw/zinc/56/17/55/1068561755.db2.gz SZBBFXWRPSQHOT-FYYLOGMGSA-N 1 0 452.647 3.638 20 0 JHADRO CCc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001306183969 1068574209 /nfs/dbraw/zinc/57/42/09/1068574209.db2.gz JZGCHLSPMWSVLC-TZIWHRDSSA-N 1 0 456.635 3.855 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001306184340 1068574799 /nfs/dbraw/zinc/57/47/99/1068574799.db2.gz AQHSQKIHWBYHSA-IBGZPJMESA-N 1 0 473.046 3.821 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306186480 1068578085 /nfs/dbraw/zinc/57/80/85/1068578085.db2.gz QRRXAXXDJKRKFD-GOSISDBHSA-N 1 0 458.676 3.683 20 0 JHADRO CCc1nnc(N2CCN(c3cc(C)ccc3C)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306194941 1068586133 /nfs/dbraw/zinc/58/61/33/1068586133.db2.gz ZCMNUIIYPJJVBW-SZPZYZBQSA-N 1 0 454.663 3.672 20 0 JHADRO CCc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001306195419 1068587155 /nfs/dbraw/zinc/58/71/55/1068587155.db2.gz PNGVYYCCBGYPTQ-VAMGGRTRSA-N 1 0 490.643 3.890 20 0 JHADRO CCc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001306196676 1068588598 /nfs/dbraw/zinc/58/85/98/1068588598.db2.gz WQOKFFLFEPTDAR-LJQANCHMSA-N 1 0 480.579 3.687 20 0 JHADRO CCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(OC)c(Br)c1 ZINC001306201256 1068592364 /nfs/dbraw/zinc/59/23/64/1068592364.db2.gz WRRLUQHLBQMLAZ-MRXNPFEDSA-N 1 0 462.436 3.971 20 0 JHADRO CCc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1Cc1ccccc1Br ZINC001306206599 1068597895 /nfs/dbraw/zinc/59/78/95/1068597895.db2.gz BXJCUKZXXIBMBV-UHFFFAOYSA-N 1 0 490.368 3.742 20 0 JHADRO 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CC[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001306317821 1068739939 /nfs/dbraw/zinc/73/99/39/1068739939.db2.gz SROIAXUSMSRDDE-TUNNFDKTSA-N 1 0 471.646 3.946 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2Cl)nnc1N(C)CCS(=O)(=O)CC ZINC001306318193 1068740472 /nfs/dbraw/zinc/74/04/72/1068740472.db2.gz FHOTZJRLSRZVEG-GOSISDBHSA-N 1 0 468.067 3.734 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001306318275 1068741267 /nfs/dbraw/zinc/74/12/67/1068741267.db2.gz FQCBUMYQKWYTHZ-GOSISDBHSA-N 1 0 478.567 3.937 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](COC)C1 ZINC001306318439 1068742110 /nfs/dbraw/zinc/74/21/10/1068742110.db2.gz NSVNIXYEKIXVJK-TZIWHRDSSA-N 1 0 479.572 3.663 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306319358 1068744856 /nfs/dbraw/zinc/74/48/56/1068744856.db2.gz KPVGHZUZOKZCKR-YADHBBJMSA-N 1 0 498.672 3.531 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001306319322 1068744873 /nfs/dbraw/zinc/74/48/73/1068744873.db2.gz KDPNHOJBXDHRAC-IRLDBZIGSA-N 1 0 498.672 3.672 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001306319368 1068745242 /nfs/dbraw/zinc/74/52/42/1068745242.db2.gz KSVMTFCCMADZCC-SFTDATJTSA-N 1 0 469.678 3.679 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](OC)C1 ZINC001306319545 1068745305 /nfs/dbraw/zinc/74/53/05/1068745305.db2.gz UDZODULEAXJBBR-QZTJIDSGSA-N 1 0 465.440 3.536 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306319392 1068745516 /nfs/dbraw/zinc/74/55/16/1068745516.db2.gz LAQGRJOSIUCZSP-NHCUHLMSSA-N 1 0 485.677 3.994 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001306320288 1068748668 /nfs/dbraw/zinc/74/86/68/1068748668.db2.gz SRHZZTRPEBSJFQ-QFIPXVFZSA-N 1 0 468.646 3.665 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306320714 1068749359 /nfs/dbraw/zinc/74/93/59/1068749359.db2.gz BLSOJMSXUPFGNJ-UXHICEINSA-N 1 0 471.650 3.983 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001306320968 1068750191 /nfs/dbraw/zinc/75/01/91/1068750191.db2.gz CRBIBCRULDWURD-YADHBBJMSA-N 1 0 476.666 3.699 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001306321189 1068751112 /nfs/dbraw/zinc/75/11/12/1068751112.db2.gz BMOBFCVRTUNCCS-ZZLPTCMGSA-N 1 0 474.694 3.553 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(N(C)[C@H](C)CC(N)=O)nnc1C1(c2ccccc2)CCC1 ZINC001306321057 1068751191 /nfs/dbraw/zinc/75/11/91/1068751191.db2.gz ASQWZKVVBZSUSK-IRLDBZIGSA-N 1 0 452.647 3.713 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](OC)C1 ZINC001306322254 1068753070 /nfs/dbraw/zinc/75/30/70/1068753070.db2.gz GHELUKFFWSNCJD-WOZUAGRISA-N 1 0 476.666 3.538 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306322559 1068753824 /nfs/dbraw/zinc/75/38/24/1068753824.db2.gz GQOGIHRNFQSRNS-DHIUTWEWSA-N 1 0 497.688 3.974 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001306323093 1068755898 /nfs/dbraw/zinc/75/58/98/1068755898.db2.gz KIPSGVKHHDQSMT-FCHUYYIVSA-N 1 0 457.667 3.656 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)C ZINC001306323986 1068758413 /nfs/dbraw/zinc/75/84/13/1068758413.db2.gz MJUPUQGSOQKRQQ-OAQYLSRUSA-N 1 0 461.054 3.748 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306324696 1068759796 /nfs/dbraw/zinc/75/97/96/1068759796.db2.gz UVUYPZMOYTUCLZ-DXBBTUNJSA-N 1 0 490.693 3.786 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001306324534 1068759803 /nfs/dbraw/zinc/75/98/03/1068759803.db2.gz PMKJBHBKSJGHOV-PMACEKPBSA-N 1 0 478.682 3.570 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306325312 1068761748 /nfs/dbraw/zinc/76/17/48/1068761748.db2.gz SOBCJOMXQGDUHU-FQEVSTJZSA-N 1 0 498.569 3.945 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CCCO[C@H](C)C1 ZINC001306325931 1068763088 /nfs/dbraw/zinc/76/30/88/1068763088.db2.gz WKIDODYWLVJJIR-FYYLOGMGSA-N 1 0 455.647 3.952 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC[C@@H]1C ZINC001306325475 1068763199 /nfs/dbraw/zinc/76/31/99/1068763199.db2.gz YCUFGAGSEQSZDB-UNMCSNQZSA-N 1 0 490.693 3.882 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001306325970 1068763487 /nfs/dbraw/zinc/76/34/87/1068763487.db2.gz XAYUYHZOKWIVPJ-ZCYQVOJMSA-N 1 0 466.674 3.794 20 0 JHADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 ZINC001306326139 1068763603 /nfs/dbraw/zinc/76/36/03/1068763603.db2.gz WUHNCTGCVNAABZ-BHDDXSALSA-N 1 0 475.678 3.851 20 0 JHADRO CC[C@@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001306337424 1068773814 /nfs/dbraw/zinc/77/38/14/1068773814.db2.gz QENSBJCZRXEHLQ-NJYVYQBISA-N 1 0 476.666 3.697 20 0 JHADRO CC[C@@H]1CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOC(C)C)C1 ZINC001306338004 1068774788 /nfs/dbraw/zinc/77/47/88/1068774788.db2.gz KXGQKJBIKKCHCF-HSZRJFAPSA-N 1 0 454.663 3.694 20 0 JHADRO CC[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001306340510 1068777515 /nfs/dbraw/zinc/77/75/15/1068777515.db2.gz GMCGCSHPTDYZPX-AKIFATBCSA-N 1 0 488.702 3.569 20 0 JHADRO CC[C@H]1CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001306344720 1068781683 /nfs/dbraw/zinc/78/16/83/1068781683.db2.gz FVVTUANGNNLZJJ-WIOPSUGQSA-N 1 0 459.610 3.969 20 0 JHADRO CC[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001306361192 1068796492 /nfs/dbraw/zinc/79/64/92/1068796492.db2.gz HOBSUKYDOFTSGG-WIYYLYMNSA-N 1 0 459.038 3.778 20 0 JHADRO CC[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001306365010 1068800315 /nfs/dbraw/zinc/80/03/15/1068800315.db2.gz XJEZWCRTWTWLSB-NHCUHLMSSA-N 1 0 488.702 3.696 20 0 JHADRO CCC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCCCC2)CC1 ZINC001306372280 1068805148 /nfs/dbraw/zinc/80/51/48/1068805148.db2.gz AOEZRMBZZGYBHO-OAQYLSRUSA-N 1 0 476.666 3.699 20 0 JHADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCS[C@@H](CC)C1)[N@@H+]1CCc2ccccc2C1 ZINC001306383691 1068816712 /nfs/dbraw/zinc/81/67/12/1068816712.db2.gz FRVIFAHIMDGCLU-YADHBBJMSA-N 1 0 470.687 3.585 20 0 JHADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](C)[NH+]2CCCCC2)CCS1 ZINC001306390594 1068828202 /nfs/dbraw/zinc/82/82/02/1068828202.db2.gz IARDYDUKBQRAKS-MOPGFXCFSA-N 1 0 457.648 3.522 20 0 JHADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CC[NH+](CC)CC2)CCS1 ZINC001306390593 1068828565 /nfs/dbraw/zinc/82/85/65/1068828565.db2.gz HZZWYKNUIQHZPQ-QHCPKHFHSA-N 1 0 499.729 3.507 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001306391026 1068830641 /nfs/dbraw/zinc/83/06/41/1068830641.db2.gz VMRUCRRUVXYQGY-DENIHFKCSA-N 1 0 489.064 3.741 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001306391028 1068830700 /nfs/dbraw/zinc/83/07/00/1068830700.db2.gz VMRUCRRUVXYQGY-SIKLNZKXSA-N 1 0 489.064 3.741 20 0 JHADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2ccsc2)CC[N@@H+]1CCOC ZINC001306393257 1068834281 /nfs/dbraw/zinc/83/42/81/1068834281.db2.gz RWSNGYVOSZRPNH-HSZRJFAPSA-N 1 0 496.681 3.998 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[C@@H]2CCOC2)CC[N@@H+]1CCOC ZINC001306398740 1068851420 /nfs/dbraw/zinc/85/14/20/1068851420.db2.gz SQSORNKXWFGLRU-WIYYLYMNSA-N 1 0 492.462 3.681 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+](C)C2CCCCC2)C[C@@H](C)O1 ZINC001306399002 1068853132 /nfs/dbraw/zinc/85/31/32/1068853132.db2.gz SDCNJAANTSROPF-LFAGZIFBSA-N 1 0 463.667 3.587 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CSCCS2)CC[N@@H+]1CCOC ZINC001306400271 1068857857 /nfs/dbraw/zinc/85/78/57/1068857857.db2.gz DOTZPELEFOLCBL-VQTJNVASSA-N 1 0 482.119 3.994 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC2(O)CCOCC2)CC[N@@H+]1CCOC ZINC001306403306 1068866484 /nfs/dbraw/zinc/86/64/84/1068866484.db2.gz FRGVDTAWTDUXFH-XMMPIXPASA-N 1 0 499.700 3.721 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2cccnc2OC)CC[N@@H+]1CCOC ZINC001306404984 1068870796 /nfs/dbraw/zinc/87/07/96/1068870796.db2.gz XPXPEYAUUGEDIR-OAQYLSRUSA-N 1 0 471.005 3.597 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC001306406177 1068874978 /nfs/dbraw/zinc/87/49/78/1068874978.db2.gz VOZGRUDWIUCGSV-NRFANRHFSA-N 1 0 453.587 3.645 20 0 JHADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](CC)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001306406505 1068877100 /nfs/dbraw/zinc/87/71/00/1068877100.db2.gz YMPVGNKNYVDQPS-NNWRFLSQSA-N 1 0 459.635 3.987 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[C@H]2COCCO2)CC[N@@H+]1CCOC ZINC001306407926 1068884421 /nfs/dbraw/zinc/88/44/21/1068884421.db2.gz FDHAKAXSQYEVOJ-MOPGFXCFSA-N 1 0 498.455 3.604 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1N1CCOCC1 ZINC001306408566 1068886047 /nfs/dbraw/zinc/88/60/47/1068886047.db2.gz KUPPNRDZXXXLCQ-BAGYTPMASA-N 1 0 490.096 3.517 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](OC)c2ccccc2)CC[N@@H+]1CCOC ZINC001306408587 1068886569 /nfs/dbraw/zinc/88/65/69/1068886569.db2.gz LFNZFTQAWHASEV-FGZHOGPDSA-N 1 0 485.032 3.928 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCOC(C)(C)C)CC[N@@H+]1CCOC ZINC001306409632 1068888784 /nfs/dbraw/zinc/88/87/84/1068888784.db2.gz AQCAADQEUUCPNR-GOSISDBHSA-N 1 0 450.027 3.961 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2cnn(C)c2)CC[N@@H+]1CCOC ZINC001306410218 1068890472 /nfs/dbraw/zinc/89/04/72/1068890472.db2.gz PPEMPPXAERVOJF-HXUWFJFHSA-N 1 0 490.027 3.651 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@H+](C)CCOC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306411497 1068894353 /nfs/dbraw/zinc/89/43/53/1068894353.db2.gz UKTFDKGWBWMTEJ-UXHICEINSA-N 1 0 490.649 3.554 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([NH+](C)C)CCOCC2)C[C@@H](C)O1 ZINC001306411469 1068894539 /nfs/dbraw/zinc/89/45/39/1068894539.db2.gz UEARMRLGCXBJJY-MJGOQNOKSA-N 1 0 478.037 3.722 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@H+](C)CCOC)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306411501 1068895441 /nfs/dbraw/zinc/89/54/41/1068895441.db2.gz UKTFDKGWBWMTEJ-VQTJNVASSA-N 1 0 490.649 3.554 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CC[NH+](C(C)C)CC2)CCS1 ZINC001306412672 1068898476 /nfs/dbraw/zinc/89/84/76/1068898476.db2.gz HVNFKEHWNRWLFO-HXUWFJFHSA-N 1 0 489.686 3.529 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccnc3)n2CCc2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC001306414993 1068902584 /nfs/dbraw/zinc/90/25/84/1068902584.db2.gz BKNINGDGGZJZDO-QFIPXVFZSA-N 1 0 455.006 3.783 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)CCS1 ZINC001306416256 1068905168 /nfs/dbraw/zinc/90/51/68/1068905168.db2.gz YDLWEGSNNCPURO-VQTJNVASSA-N 1 0 460.667 3.690 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCc2csc(C(C)(C)C)n2)CC[N@@H+]1CCOC ZINC001306417406 1068907813 /nfs/dbraw/zinc/90/78/13/1068907813.db2.gz LTEAEHYGTDSDHE-IBGZPJMESA-N 1 0 471.675 3.817 20 0 JHADRO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@H](C2CC2)[NH+](C)C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306420325 1068912292 /nfs/dbraw/zinc/91/22/92/1068912292.db2.gz VYDQOFXDLMDBQW-KAGYGMCKSA-N 1 0 483.661 3.810 20 0 JHADRO CC[C@H]1CN(c2nnc(C3CC3)n2CC2(O)CC[NH+](C(C)C)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306421095 1068913606 /nfs/dbraw/zinc/91/36/06/1068913606.db2.gz AIHSRZZIEQAASU-FPOVZHCZSA-N 1 0 490.693 3.520 20 0 JHADRO CC[C@@H]1CN(c2nnc(C3CC3)n2CC2(O)CC[NH+](C(C)C)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306421093 1068913865 /nfs/dbraw/zinc/91/38/65/1068913865.db2.gz AIHSRZZIEQAASU-CTNGQTDRSA-N 1 0 490.693 3.520 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(OCC[NH+](C)C)c2)CCS1 ZINC001306421837 1068914827 /nfs/dbraw/zinc/91/48/27/1068914827.db2.gz FYUKBDHJYZUNRM-QFIPXVFZSA-N 1 0 466.655 3.969 20 0 JHADRO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)Oc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001306427229 1068922921 /nfs/dbraw/zinc/92/29/21/1068922921.db2.gz ZKEFQQBJAYXLCQ-UNMCSNQZSA-N 1 0 482.604 3.802 20 0 JHADRO CC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(Cl)cc2F)CC[N@@H+]1CCOC ZINC001306427752 1068924082 /nfs/dbraw/zinc/92/40/82/1068924082.db2.gz HFGLPULVEVYLIO-QUCCMNQESA-N 1 0 466.001 3.560 20 0 JHADRO CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCc2ccccc2Cl)CC[N@@H+]1CCOC ZINC001306428910 1068926319 /nfs/dbraw/zinc/92/63/19/1068926319.db2.gz MRAQATFOXDQFFT-IFMALSPDSA-N 1 0 462.038 3.963 20 0 JHADRO CC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cc(C)ccc2OC(F)F)CC[N@@H+]1CCOC ZINC001306428920 1068926400 /nfs/dbraw/zinc/92/64/00/1068926400.db2.gz MTFXELFHMIABHC-FPOVZHCZSA-N 1 0 493.599 3.677 20 0 JHADRO 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CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCCCCC2)C1 ZINC001306516407 1069122282 /nfs/dbraw/zinc/12/22/82/1069122282.db2.gz DTGNRAZUTBOCMK-QFIPXVFZSA-N 1 0 472.703 3.939 20 0 JHADRO CNC(=O)c1cccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1Br ZINC001310707491 1069124298 /nfs/dbraw/zinc/12/42/98/1069124298.db2.gz YJQDEIDPGGMXQO-UHFFFAOYSA-N 1 0 451.409 3.929 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCCCC2)C1 ZINC001306516877 1069124258 /nfs/dbraw/zinc/12/42/58/1069124258.db2.gz HFOLIGYDJDMZJM-FQEVSTJZSA-N 1 0 488.627 3.766 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306518517 1069133023 /nfs/dbraw/zinc/13/30/23/1069133023.db2.gz NPUSNJCKBHADFG-FIXSFTCYSA-N 1 0 481.689 3.517 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001306522394 1069147202 /nfs/dbraw/zinc/14/72/02/1069147202.db2.gz NEKOEHHMGDOIEJ-HMXCVIKNSA-N 1 0 474.675 3.627 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C(C)C)C1 ZINC001306523890 1069149960 /nfs/dbraw/zinc/14/99/60/1069149960.db2.gz ZPCANOZALBMAFV-QZNHQXDQSA-N 1 0 476.710 3.670 20 0 JHADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cc1 ZINC001310785902 1069161384 /nfs/dbraw/zinc/16/13/84/1069161384.db2.gz KSDVMZYXCIAJPA-UHFFFAOYSA-N 1 0 458.360 3.897 20 0 JHADRO CCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001306528493 1069161497 /nfs/dbraw/zinc/16/14/97/1069161497.db2.gz IFACCYOTQNHHOU-SWHJIRTISA-N 1 0 469.634 3.650 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001306529719 1069167025 /nfs/dbraw/zinc/16/70/25/1069167025.db2.gz OSXHJFJHKINDHF-FDDCHVKYSA-N 1 0 466.001 3.590 20 0 JHADRO Cc1ccc(NC(=O)NCCCCc2cc[nH+]c(N)c2)cc1S(=O)(=O)Nc1ccccc1 ZINC001310799631 1069168253 /nfs/dbraw/zinc/16/82/53/1069168253.db2.gz DMPXOYRDPMGBIT-UHFFFAOYSA-N 1 0 453.568 3.917 20 0 JHADRO CCOC(=O)[C@H]1CCCc2sc(NC(=O)NC3CC[NH+]([C@H](C)c4ccncc4)CC3)nc21 ZINC001310813541 1069174910 /nfs/dbraw/zinc/17/49/10/1069174910.db2.gz RTJDIDBVZODBPC-QAPCUYQASA-N 1 0 457.600 3.868 20 0 JHADRO CCC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001306532997 1069175412 /nfs/dbraw/zinc/17/54/12/1069175412.db2.gz RTRPLLSKDKJJGF-RUZDIDTESA-N 1 0 486.064 3.947 20 0 JHADRO CCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001306538249 1069184825 /nfs/dbraw/zinc/18/48/25/1069184825.db2.gz WKZADRDXCYSPID-NVQXNPDNSA-N 1 0 455.647 3.824 20 0 JHADRO O=C(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)N[C@H](C1CC1)C(F)(F)F ZINC001310844929 1069190660 /nfs/dbraw/zinc/19/06/60/1069190660.db2.gz JHBPGNSILFBGET-HXUWFJFHSA-N 1 0 451.468 3.687 20 0 JHADRO Cc1c(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cccc1N1C(=O)CNC1=O ZINC001310850457 1069193197 /nfs/dbraw/zinc/19/31/97/1069193197.db2.gz NNMRYWFSSSQJON-FQEVSTJZSA-N 1 0 455.946 3.663 20 0 JHADRO CCC[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@](C)(CC)C1 ZINC001306545301 1069199840 /nfs/dbraw/zinc/19/98/40/1069199840.db2.gz AUQIAOWICTZYFF-RRPNLBNLSA-N 1 0 468.690 3.820 20 0 JHADRO CCC[C@](C)(O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001306545737 1069201862 /nfs/dbraw/zinc/20/18/62/1069201862.db2.gz SYNXFRAQHZPBGU-GWJPWWOOSA-N 1 0 492.462 3.844 20 0 JHADRO CCC[C@](C)(O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001306545771 1069201890 /nfs/dbraw/zinc/20/18/90/1069201890.db2.gz UOSKXFARXXQEBQ-VWLOTQADSA-N 1 0 459.635 3.727 20 0 JHADRO COC(=O)[C@@H]1CCc2sc(NC(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)nc2C1 ZINC001310905053 1069217442 /nfs/dbraw/zinc/21/74/42/1069217442.db2.gz STSIZFPHUDMIJS-RTBURBONSA-N 1 0 456.612 3.845 20 0 JHADRO CC(C)C[C@@H](CNC(=O)c1cn(C)nc1I)[NH2+][C@@H](C)c1ccccc1 ZINC001306561879 1069230978 /nfs/dbraw/zinc/23/09/78/1069230978.db2.gz VYFKBWLSOHLOMP-HOCLYGCPSA-N 1 0 454.356 3.520 20 0 JHADRO O=C(NCc1ccc(CN2CCNC2=O)cc1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001310962054 1069234582 /nfs/dbraw/zinc/23/45/82/1069234582.db2.gz KYGSIDMEAXYWBI-UHFFFAOYSA-N 1 0 453.612 3.721 20 0 JHADRO Cc1cc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001310962975 1069235064 /nfs/dbraw/zinc/23/50/64/1069235064.db2.gz CQDJGYZPEPLFQN-UHFFFAOYSA-N 1 0 451.493 3.966 20 0 JHADRO CCC[C@@H](C)N(C)c1nnc(-c2cccn2C)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001306571748 1069239434 /nfs/dbraw/zinc/23/94/34/1069239434.db2.gz FJHHCZIXVFGXMP-HXUWFJFHSA-N 1 0 450.631 3.913 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001306578093 1069243676 /nfs/dbraw/zinc/24/36/76/1069243676.db2.gz AAVICTHPOJJKTJ-NRFANRHFSA-N 1 0 462.642 3.894 20 0 JHADRO COc1cc(-c2noc(CCCCCNC(=O)[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)n2)ccc1O ZINC001306585762 1069251933 /nfs/dbraw/zinc/25/19/33/1069251933.db2.gz QMQCMVFSFDSNPG-RDPSFJRHSA-N 1 0 464.566 3.973 20 0 JHADRO O=C(Nc1csc(-c2ccc(Br)cc2)n1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001311041592 1069255329 /nfs/dbraw/zinc/25/53/29/1069255329.db2.gz ZHTJVMREQCRFHJ-JKSUJKDBSA-N 1 0 451.390 3.636 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001306587902 1069255907 /nfs/dbraw/zinc/25/59/07/1069255907.db2.gz YRYXUYAXEKJRDB-ILWGZMRPSA-N 1 0 467.662 3.654 20 0 JHADRO COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC001311085159 1069268532 /nfs/dbraw/zinc/26/85/32/1069268532.db2.gz XGHKOQPSYLBQBG-UARRHKHWSA-N 1 0 456.631 3.764 20 0 JHADRO CCCC(O)(CCC)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306596910 1069271237 /nfs/dbraw/zinc/27/12/37/1069271237.db2.gz WLJZAYSQBFZREA-QHCPKHFHSA-N 1 0 483.705 3.585 20 0 JHADRO COc1cc([C@H](C)NC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc(OC)c1OC ZINC001311163785 1069287234 /nfs/dbraw/zinc/28/72/34/1069287234.db2.gz QBXIQXXGDORXMU-UWJYYQICSA-N 1 0 454.571 3.880 20 0 JHADRO COc1cc([C@@H](C)NC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc(OC)c1OC ZINC001311163784 1069287347 /nfs/dbraw/zinc/28/73/47/1069287347.db2.gz QBXIQXXGDORXMU-UTKZUKDTSA-N 1 0 454.571 3.880 20 0 JHADRO CC(C)(C)OC(=O)N1CC=C(CNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC001311164361 1069287937 /nfs/dbraw/zinc/28/79/37/1069287937.db2.gz VOIFOBLXDIYKIT-JOCHJYFZSA-N 1 0 455.603 3.660 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C)n2CCc2ccc(Br)s2)CC[N@@H+]1CCOC ZINC001306615717 1069295921 /nfs/dbraw/zinc/29/59/21/1069295921.db2.gz HLSBDFKCVBLPSE-MRXNPFEDSA-N 1 0 456.454 3.590 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(SC)CC[NH+](C)CC2)CCO1 ZINC001306616292 1069297707 /nfs/dbraw/zinc/29/77/07/1069297707.db2.gz GGPPHGGURAAOEI-HXUWFJFHSA-N 1 0 489.686 3.795 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cc(C)no2)CC[N@@H+]1CCOC ZINC001306618171 1069300922 /nfs/dbraw/zinc/30/09/22/1069300922.db2.gz CXPSQWDOBGJWKJ-HXUWFJFHSA-N 1 0 458.994 3.880 20 0 JHADRO Cc1c(I)ccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)c1C ZINC001311220271 1069301206 /nfs/dbraw/zinc/30/12/06/1069301206.db2.gz UULVMYRRKIFOFE-UHFFFAOYSA-N 1 0 457.356 3.675 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2COCCO2)CC[N@@H+]1CCOC ZINC001306619077 1069302886 /nfs/dbraw/zinc/30/28/86/1069302886.db2.gz IKRHYOAQKNERTA-MOPGFXCFSA-N 1 0 498.455 3.604 20 0 JHADRO CN(C)c1cc(NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC001311229256 1069302836 /nfs/dbraw/zinc/30/28/36/1069302836.db2.gz FOYYJWOHRABGMB-JOCHJYFZSA-N 1 0 450.505 3.872 20 0 JHADRO CN(C)c1cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc(C(F)(F)F)c1 ZINC001311230240 1069302892 /nfs/dbraw/zinc/30/28/92/1069302892.db2.gz ZDDWXXLXDUSXCO-UTKZUKDTSA-N 1 0 450.505 3.776 20 0 JHADRO CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cn(C)nc2-c2ccccc2)CC[N@@H+]1CCOC ZINC001306619594 1069304360 /nfs/dbraw/zinc/30/43/60/1069304360.db2.gz VEMLYYJRZLFSDW-HSZRJFAPSA-N 1 0 479.673 3.962 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CCO1 ZINC001306620606 1069307445 /nfs/dbraw/zinc/30/74/45/1069307445.db2.gz QVTRCLPZQSCKII-QPPBQGQZSA-N 1 0 454.663 3.539 20 0 JHADRO COC(=O)Cn1ncc2ccc(NC(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)cc21 ZINC001311249515 1069308645 /nfs/dbraw/zinc/30/86/45/1069308645.db2.gz PEPOJYWTCGLDEV-HXUWFJFHSA-N 1 0 455.584 3.866 20 0 JHADRO COCCOCCOc1cccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC001311254854 1069308898 /nfs/dbraw/zinc/30/88/98/1069308898.db2.gz RQWJQEIIRKNQPF-UHFFFAOYSA-N 1 0 459.509 3.655 20 0 JHADRO CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000010813373 562957244 /nfs/dbraw/zinc/95/72/44/562957244.db2.gz FUOWZLTUFYRRAZ-UHFFFAOYSA-N 1 0 463.578 3.921 20 0 JHADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H]4COC[C@@H]4C3)c21 ZINC001164387192 718818458 /nfs/dbraw/zinc/81/84/58/718818458.db2.gz DZZCKMPFGKLRSL-MOPGFXCFSA-N 1 0 453.970 3.869 20 0 JHADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC[C@H]5[NH2+]CCO[C@H]5C4)c23)c1 ZINC001164390102 718824911 /nfs/dbraw/zinc/82/49/11/718824911.db2.gz MKHKHEYHCILVBP-MSOLQXFVSA-N 1 0 455.653 3.973 20 0 JHADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413226 718880056 /nfs/dbraw/zinc/88/00/56/718880056.db2.gz DVOAFRKALUUNBN-ZDUSSCGKSA-N 1 0 468.854 3.895 20 0 JHADRO CCS(=O)(=O)c1cc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)cnc1Cl ZINC001164414793 718882163 /nfs/dbraw/zinc/88/21/63/718882163.db2.gz XELNTXZFWLTHOD-ZDUSSCGKSA-N 1 0 461.884 3.727 20 0 JHADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164432347 718970881 /nfs/dbraw/zinc/97/08/81/718970881.db2.gz GMOVPELIMANZSZ-RTBURBONSA-N 1 0 490.860 3.863 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc3c(Cl)ncnc3c1)C2 ZINC001164615937 719007464 /nfs/dbraw/zinc/00/74/64/719007464.db2.gz KBQJZQFMKVKTTR-AVRDEDQJSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164620923 719008112 /nfs/dbraw/zinc/00/81/12/719008112.db2.gz ZSRJPPUFHYAOTO-WXVAWEFUSA-N 1 0 496.055 3.795 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164614806 719008238 /nfs/dbraw/zinc/00/82/38/719008238.db2.gz GPKVAOGOFGFTDL-GCJKJVERSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164614813 719008906 /nfs/dbraw/zinc/00/89/06/719008906.db2.gz GPKVAOGOFGFTDL-XMSQKQJNSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)C2 ZINC001164614753 719009971 /nfs/dbraw/zinc/00/99/71/719009971.db2.gz GLAPNRZIXFJSPE-BTYIYWSLSA-N 1 0 452.933 3.911 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001164618704 719011780 /nfs/dbraw/zinc/01/17/80/719011780.db2.gz SHTKRDJFCCPPKX-RNODOKPDSA-N 1 0 485.988 3.520 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001164618705 719012018 /nfs/dbraw/zinc/01/20/18/719012018.db2.gz SHTKRDJFCCPPKX-XCLFUZPHSA-N 1 0 485.988 3.520 20 0 JHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001164615997 719015393 /nfs/dbraw/zinc/01/53/93/719015393.db2.gz KGVNYLSHCZGYQX-FASAQXTFSA-N 1 0 475.927 3.563 20 0 JHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164615201 719015565 /nfs/dbraw/zinc/01/55/65/719015565.db2.gz HKXMSNAYSNXSFQ-ULOPGQLASA-N 1 0 465.715 3.865 20 0 JHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164620792 719017701 /nfs/dbraw/zinc/01/77/01/719017701.db2.gz ZMMDEKYODVNVLV-IZBJGVDFSA-N 1 0 483.682 3.532 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(NC(=O)OC(C)(C)C)c4nc[nH]c43)CC2)CC1 ZINC001164616397 719030560 /nfs/dbraw/zinc/03/05/60/719030560.db2.gz CYUJZGXIGGSDOP-UHFFFAOYSA-N 1 0 472.590 3.549 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)COC(=O)Nc3cccnc3Cl)CC2)CC1 ZINC001164617635 719034734 /nfs/dbraw/zinc/03/47/34/719034734.db2.gz OJOSDTDTEDWYEB-UHFFFAOYSA-N 1 0 474.936 3.616 20 0 JHADRO [NH3+]C1([C@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCc3ccccc3)C[C@H]2CF)CC1 ZINC001164629320 719115215 /nfs/dbraw/zinc/11/52/15/719115215.db2.gz RWCNFMXNDSVWTB-ZBFHGGJFSA-N 1 0 454.880 3.545 20 0 JHADRO C[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)[C@@H](C)CN1C ZINC001164643611 719229387 /nfs/dbraw/zinc/22/93/87/719229387.db2.gz ZPIZVBDQRPLMTG-MSOLQXFVSA-N 1 0 455.002 3.926 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3ccnc(Cl)n3)CC2)c2ccccc21 ZINC001164684133 719655555 /nfs/dbraw/zinc/65/55/55/719655555.db2.gz WHKGUAJYHVOSNA-QGZVFWFLSA-N 1 0 477.987 3.768 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4cnccc43)CC2)c2ccccc21 ZINC001164680808 719663955 /nfs/dbraw/zinc/66/39/55/719663955.db2.gz IZKNYZPWBDPWSU-GOSISDBHSA-N 1 0 479.028 3.772 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnc4ccc(F)cc4n3)CC2)c2ccccc21 ZINC001164680703 719665720 /nfs/dbraw/zinc/66/57/20/719665720.db2.gz HBYQSVLYOJMBIR-IBGZPJMESA-N 1 0 461.585 3.862 20 0 JHADRO COC(=O)c1c(C)cc(C)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680475 719668474 /nfs/dbraw/zinc/66/84/74/719668474.db2.gz FZZSWNIXIJQISD-OAQYLSRUSA-N 1 0 478.637 3.578 20 0 JHADRO CCOC(=O)c1cc(C)cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680112 719668939 /nfs/dbraw/zinc/66/89/39/719668939.db2.gz CMUSZNZECVNTJJ-OAQYLSRUSA-N 1 0 478.637 3.660 20 0 JHADRO CSc1ncc(Cl)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164679994 719676406 /nfs/dbraw/zinc/67/64/06/719676406.db2.gz AJCIHAAAZFKLJD-KRWDZBQOSA-N 1 0 474.074 3.945 20 0 JHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(C(=O)N4CCOCC4)cc2Cl)CC3)cs1 ZINC001164693508 719814040 /nfs/dbraw/zinc/81/40/40/719814040.db2.gz VUOGVXRVNDDQAD-UHFFFAOYSA-N 1 0 476.046 3.607 20 0 JHADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164697184 719817294 /nfs/dbraw/zinc/81/72/94/719817294.db2.gz AQCDPCIVEPKZFH-CQSZACIVSA-N 1 0 450.008 3.806 20 0 JHADRO COC(=O)c1cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cnc1Cl ZINC001164695320 719889842 /nfs/dbraw/zinc/88/98/42/719889842.db2.gz NMUQADKIUUXIFV-UHFFFAOYSA-N 1 0 471.957 3.999 20 0 JHADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697730 719892561 /nfs/dbraw/zinc/89/25/61/719892561.db2.gz OUJSCILCRLPXBC-UHFFFAOYSA-N 1 0 483.638 3.911 20 0 JHADRO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697053 719894540 /nfs/dbraw/zinc/89/45/40/719894540.db2.gz JARDIPADGISLAP-UHFFFAOYSA-N 1 0 484.453 3.553 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(C)n1)CC2 ZINC001164712492 720103053 /nfs/dbraw/zinc/10/30/53/720103053.db2.gz WDLXQKSLHSKXMZ-GOSISDBHSA-N 1 0 451.949 3.886 20 0 JHADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164814391 720109579 /nfs/dbraw/zinc/10/95/79/720109579.db2.gz SDVYZXXEGLBDCD-OSPHWJPCSA-N 1 0 458.990 3.645 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)CC2 ZINC001164718035 720115558 /nfs/dbraw/zinc/11/55/58/720115558.db2.gz QOUJRDSQPLDHFH-SFHVURJKSA-N 1 0 494.970 3.969 20 0 JHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N3CCC[C@H](C)C3)cn1)CC2 ZINC001164713587 720140111 /nfs/dbraw/zinc/14/01/11/720140111.db2.gz SIFHQABIYVMXMP-DHLKQENFSA-N 1 0 477.653 3.856 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)C2 ZINC001164819044 720149035 /nfs/dbraw/zinc/14/90/35/720149035.db2.gz VQOXPSVUJWWCFL-KKSFZXQISA-N 1 0 452.933 3.893 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164820198 720159674 /nfs/dbraw/zinc/15/96/74/720159674.db2.gz ZSVPIHBRRVESOW-PGRDOPGGSA-N 1 0 463.960 3.922 20 0 JHADRO Cn1nnc2c1CCN(c1ncnc3cc(OCc4ccccc4)ccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164720008 720203748 /nfs/dbraw/zinc/20/37/48/720203748.db2.gz VFDVPYMKMVGWIE-AREMUKBSSA-N 1 0 499.619 3.554 20 0 JHADRO Cc1ccc(Oc2nc(Cl)ncc2N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)cc1 ZINC001164719288 720204571 /nfs/dbraw/zinc/20/45/71/720204571.db2.gz QIVPCRYJXFWWNF-NRFANRHFSA-N 1 0 484.004 3.575 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CCC2 ZINC001164812142 720214122 /nfs/dbraw/zinc/21/41/22/720214122.db2.gz KZJQWTNSZAFYFJ-UHFFFAOYSA-N 1 0 462.932 3.635 20 0 JHADRO CSc1cnc(Cl)c(C(F)(F)N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164812032 720234547 /nfs/dbraw/zinc/23/45/47/720234547.db2.gz ASNKCGCRRFLWOW-UHFFFAOYSA-N 1 0 457.978 3.809 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)Oc1ccc(Cl)nc1Cl)CCC2 ZINC001164817192 720244661 /nfs/dbraw/zinc/24/46/61/720244661.db2.gz PQYNLZPFADKDQZ-UHFFFAOYSA-N 1 0 462.328 3.620 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(Cl)nc1Oc1ccccc1)CCC2 ZINC001164816598 720245921 /nfs/dbraw/zinc/24/59/21/720245921.db2.gz KPMAGSFJOFRUEE-UHFFFAOYSA-N 1 0 454.962 3.730 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3c(Cl)ncnc3c2)CC1 ZINC001164827341 720301784 /nfs/dbraw/zinc/30/17/84/720301784.db2.gz XAJTYIZHWKSDSZ-PMACEKPBSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc3c(Cl)ncnc3c2)CC1 ZINC001164827342 720301925 /nfs/dbraw/zinc/30/19/25/720301925.db2.gz XAJTYIZHWKSDSZ-UXHICEINSA-N 1 0 463.960 3.740 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc(Cc3ccccc3)n2)CC1 ZINC001164821996 720311707 /nfs/dbraw/zinc/31/17/07/720311707.db2.gz MGWGGHGFQXRUJP-LEWJYISDSA-N 1 0 454.018 3.632 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc([Si](C)(C)C)c(Cl)n2)CC1 ZINC001164830290 720329374 /nfs/dbraw/zinc/32/93/74/720329374.db2.gz PNEWVELHQUSMNO-QZTJIDSGSA-N 1 0 485.095 3.737 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc3cc[nH]c3c(Cl)n2)CC1 ZINC001164829699 720332571 /nfs/dbraw/zinc/33/25/71/720332571.db2.gz NBTLMVQBFCUIOF-DLBZAZTESA-N 1 0 451.949 3.673 20 0 JHADRO COC(=O)c1ccc(-c2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2C)cc1 ZINC001164827781 720335346 /nfs/dbraw/zinc/33/53/46/720335346.db2.gz IOWOCZKKKDHMRQ-RPBOFIJWSA-N 1 0 476.621 3.755 20 0 JHADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCCC3 ZINC001164821472 720336967 /nfs/dbraw/zinc/33/69/67/720336967.db2.gz AKUQZMNAAKCBGZ-WOJBJXKFSA-N 1 0 453.656 3.790 20 0 JHADRO CCc1nc2sc3c(c2c(N2CC[C@H]4[C@@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCC3 ZINC001164831700 720337168 /nfs/dbraw/zinc/33/71/68/720337168.db2.gz ZROXHIPPPYKDBZ-OALUTQOASA-N 1 0 453.656 3.654 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc(SCc3ccccc3)n2)CC1 ZINC001164827480 720348582 /nfs/dbraw/zinc/34/85/82/720348582.db2.gz MBRQSRXQLSYCIC-VXKWHMMOSA-N 1 0 451.640 3.680 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc3c2CCC3)CC1 ZINC001164828782 720356038 /nfs/dbraw/zinc/35/60/38/720356038.db2.gz PXGMNOIXNPXYDK-PMACEKPBSA-N 1 0 452.977 3.680 20 0 JHADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735683 720417009 /nfs/dbraw/zinc/41/70/09/720417009.db2.gz XNAROPAAFVEXLF-FCJGBKHDSA-N 1 0 463.582 3.501 20 0 JHADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735891 720417430 /nfs/dbraw/zinc/41/74/30/720417430.db2.gz ZBQPRDJNDXHTMN-LEWJYISDSA-N 1 0 453.587 3.606 20 0 JHADRO COC(=O)c1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cnc1Cl ZINC001164837836 720526565 /nfs/dbraw/zinc/52/65/65/720526565.db2.gz POJVHIBDURZXDC-KVSKMBFKSA-N 1 0 467.948 3.641 20 0 JHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3CCN(Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842935 720535131 /nfs/dbraw/zinc/53/51/31/720535131.db2.gz ZASNPHMKPHGPTI-NLJOTIRTSA-N 1 0 471.653 3.609 20 0 JHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)C1 ZINC001164733174 720535796 /nfs/dbraw/zinc/53/57/96/720535796.db2.gz BUCQYJVSDKWUCB-CQSZACIVSA-N 1 0 450.896 3.876 20 0 JHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)C1 ZINC001164736064 720535813 /nfs/dbraw/zinc/53/58/13/720535813.db2.gz UYFCHERIDOFHRH-CQSZACIVSA-N 1 0 450.896 3.876 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3ncn4[C@H]3CCCCO3)CC[C@@H]21 ZINC001164843044 720541599 /nfs/dbraw/zinc/54/15/99/720541599.db2.gz ZOVZBUZWBURSPX-FUMNGEBKSA-N 1 0 485.036 3.753 20 0 JHADRO CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1)OCC ZINC001164842480 720544845 /nfs/dbraw/zinc/54/48/45/720544845.db2.gz XOLBXFXFXCUAAC-SVFBPWRDSA-N 1 0 477.053 3.646 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC[C@@H]21 ZINC001164841491 720588288 /nfs/dbraw/zinc/58/82/88/720588288.db2.gz SIBOJECIBYXYOT-JYJNAYRXSA-N 1 0 459.372 3.989 20 0 JHADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164737015 720589714 /nfs/dbraw/zinc/58/97/14/720589714.db2.gz YNRBEBPIYFZYEY-QHCPKHFHSA-N 1 0 456.953 3.780 20 0 JHADRO Clc1nnc(Cl)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1N1CCCCC1 ZINC001164746888 720599168 /nfs/dbraw/zinc/59/91/68/720599168.db2.gz YNQVKHSQVZZZOW-UHFFFAOYSA-N 1 0 450.418 3.629 20 0 JHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@@](F)(COc3cncc(Cl)n3)C(F)F)CC[C@@H]21 ZINC001164838327 720618328 /nfs/dbraw/zinc/61/83/28/720618328.db2.gz KTMUPTUWYFXEON-JJDSTIRJSA-N 1 0 472.943 3.510 20 0 JHADRO COc1cc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)cc(Cl)n1 ZINC001164842470 720741335 /nfs/dbraw/zinc/74/13/35/720741335.db2.gz FEXJCAHDHOUMTE-UHFFFAOYSA-N 1 0 460.916 3.646 20 0 JHADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737901 720786257 /nfs/dbraw/zinc/78/62/57/720786257.db2.gz DKOZQXPZUYGVOD-RBUKOAKNSA-N 1 0 474.590 3.637 20 0 JHADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164743520 720792748 /nfs/dbraw/zinc/79/27/48/720792748.db2.gz GMRULSXZENHWRJ-PMACEKPBSA-N 1 0 487.633 3.552 20 0 JHADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164748297 720802876 /nfs/dbraw/zinc/80/28/76/720802876.db2.gz QNINJHLQMZQSCT-MJGOQNOKSA-N 1 0 452.946 3.617 20 0 JHADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164748296 720803275 /nfs/dbraw/zinc/80/32/75/720803275.db2.gz QNINJHLQMZQSCT-IEBWSBKVSA-N 1 0 452.946 3.617 20 0 JHADRO c1ncn(C[C@H]2C[C@H]3CN(c4nc5ccccc5nc4N4CCCCC4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744725 720844930 /nfs/dbraw/zinc/84/49/30/720844930.db2.gz LMPYHEVNAMMJJY-SGIRGMQISA-N 1 0 472.641 3.591 20 0 JHADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739419 720848894 /nfs/dbraw/zinc/84/88/94/720848894.db2.gz ADWHXJBIDGCDIJ-SQGPQFPESA-N 1 0 463.964 3.523 20 0 JHADRO CCN(c1ccccc1)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164747628 720853973 /nfs/dbraw/zinc/85/39/73/720853973.db2.gz IMDJQUCAOPKXAN-GMKZXUHWSA-N 1 0 458.614 3.606 20 0 JHADRO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2C)cc1 ZINC001164745442 720856104 /nfs/dbraw/zinc/85/61/04/720856104.db2.gz DLSQLFUWVUUXRW-NLJOTIRTSA-N 1 0 487.652 3.664 20 0 JHADRO Clc1cccc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164747626 720856281 /nfs/dbraw/zinc/85/62/81/720856281.db2.gz ILQFYHQDJYQVDJ-JTDSTZFVSA-N 1 0 458.397 3.908 20 0 JHADRO Fc1c[nH]c2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164753865 720869903 /nfs/dbraw/zinc/86/99/03/720869903.db2.gz QERAYJPCBJIOAT-KOSHJBKYSA-N 1 0 470.980 3.901 20 0 JHADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749176 720872421 /nfs/dbraw/zinc/87/24/21/720872421.db2.gz HMVMSLYEZIUQOC-XVAUGHPISA-N 1 0 476.621 3.808 20 0 JHADRO CCOC(=O)/C=C/c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749174 720872841 /nfs/dbraw/zinc/87/28/41/720872841.db2.gz HMVMSLYEZIUQOC-LSLPZEORSA-N 1 0 476.621 3.808 20 0 JHADRO COC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754333 720873911 /nfs/dbraw/zinc/87/39/11/720873911.db2.gz RETOSJKZZPBYPU-SQJMNOBHSA-N 1 0 471.001 3.672 20 0 JHADRO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCC2 ZINC001164750819 720875751 /nfs/dbraw/zinc/87/57/51/720875751.db2.gz JZVOCMYEUZYTRM-NLFFAJNJSA-N 1 0 454.018 3.769 20 0 JHADRO Clc1nc2ncccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752423 720877014 /nfs/dbraw/zinc/87/70/14/720877014.db2.gz MYPLPCBUDAWADZ-CJFMBICVSA-N 1 0 465.001 3.828 20 0 JHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ncnc4cc5c(cc42)OCCO5)C3)c1 ZINC001164747348 720877122 /nfs/dbraw/zinc/87/71/22/720877122.db2.gz BGPBDMSBWADNIU-DFHRPNOPSA-N 1 0 487.604 3.551 20 0 JHADRO COC(=O)c1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164753409 720877159 /nfs/dbraw/zinc/87/71/59/720877159.db2.gz PJOWURBQJCVPEJ-UFHPHHKVSA-N 1 0 487.604 3.567 20 0 JHADRO Clc1nc2ncccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752431 720877207 /nfs/dbraw/zinc/87/72/07/720877207.db2.gz MYPLPCBUDAWADZ-NLFFAJNJSA-N 1 0 465.001 3.828 20 0 JHADRO FC(F)(c1ccc(Cl)nn1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755496 720878634 /nfs/dbraw/zinc/87/86/34/720878634.db2.gz YAGFFZQBCOVPJY-KNQAVFIVSA-N 1 0 463.960 3.825 20 0 JHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@H]2C1 ZINC001164865258 720881832 /nfs/dbraw/zinc/88/18/32/720881832.db2.gz ZHDGUZOMCCPUQX-FXAWDEMLSA-N 1 0 452.933 3.515 20 0 JHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)CC[C@@H]2C1 ZINC001164865193 720883917 /nfs/dbraw/zinc/88/39/17/720883917.db2.gz YOWCOLQMQWLWOO-IRLDBZIGSA-N 1 0 481.666 3.593 20 0 JHADRO COc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc21 ZINC001164751705 720894494 /nfs/dbraw/zinc/89/44/94/720894494.db2.gz DCJYQDYLKBVXLJ-AJTFRIOCSA-N 1 0 459.594 3.789 20 0 JHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cncc(N4CCCCC4)n2)C3)c1 ZINC001164750665 720898503 /nfs/dbraw/zinc/89/85/03/720898503.db2.gz BMQRODSTSHIYLY-SHQCIBLASA-N 1 0 462.642 3.617 20 0 JHADRO CCOC(=O)c1c(C)ccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756527 720899427 /nfs/dbraw/zinc/89/94/27/720899427.db2.gz PZRBJUVIRUDSNK-HOFKKMOUSA-N 1 0 464.610 3.717 20 0 JHADRO C=Cc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1OC ZINC001164750882 720906729 /nfs/dbraw/zinc/90/67/29/720906729.db2.gz KZGZVICDWKJKAM-NLFFAJNJSA-N 1 0 470.017 3.932 20 0 JHADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2ccncc2)n1 ZINC001164754653 720908974 /nfs/dbraw/zinc/90/89/74/720908974.db2.gz WTMVINKZTQNHOP-LSYYVWMOSA-N 1 0 470.621 3.997 20 0 JHADRO c1ccc(-c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)nc1 ZINC001164747816 720914019 /nfs/dbraw/zinc/91/40/19/720914019.db2.gz DLPQJFBPUFOCSC-HOFKKMOUSA-N 1 0 456.594 3.689 20 0 JHADRO Cc1noc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2)n1 ZINC001164752757 720914673 /nfs/dbraw/zinc/91/46/73/720914673.db2.gz OQZAGLQRQITOLG-OZXSUGGESA-N 1 0 460.582 3.590 20 0 JHADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(-c3ccc(F)cc3)nc3ccc(Cl)cc31)CC2 ZINC001164749483 720950280 /nfs/dbraw/zinc/95/02/80/720950280.db2.gz GVHWOOSDEQOZOF-UHFFFAOYSA-N 1 0 494.958 3.931 20 0 JHADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c2c1 ZINC001164752400 720958560 /nfs/dbraw/zinc/95/85/60/720958560.db2.gz XOIDQVFTHUMBDD-UHFFFAOYSA-N 1 0 474.540 3.586 20 0 JHADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164864117 720985194 /nfs/dbraw/zinc/98/51/94/720985194.db2.gz XNWVWFPEOQAAHB-ANGAQGJPSA-N 1 0 482.629 3.870 20 0 JHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)[C@H]2C ZINC001164863901 721017941 /nfs/dbraw/zinc/01/79/41/721017941.db2.gz VSZMMGVCLQNUJQ-AWEZNQCLSA-N 1 0 456.925 3.990 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCc4ccccn4)[C@@H]3C2)nc1 ZINC001164762651 721022745 /nfs/dbraw/zinc/02/27/45/721022745.db2.gz WEXPCNLIRWOKRG-RCTAOEEJSA-N 1 0 463.626 3.571 20 0 JHADRO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164759906 721046078 /nfs/dbraw/zinc/04/60/78/721046078.db2.gz RNPMTYYMRJIQHO-MGBGTMOVSA-N 1 0 470.639 3.582 20 0 JHADRO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164759916 721046248 /nfs/dbraw/zinc/04/62/48/721046248.db2.gz RNPMTYYMRJIQHO-XIFFEERXSA-N 1 0 470.639 3.582 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@@H]3OCCC[C@H]32)nc1 ZINC001164772553 721067184 /nfs/dbraw/zinc/06/71/84/721067184.db2.gz VCBYROGUUWMUBU-OUMCCJGNSA-N 1 0 451.615 3.523 20 0 JHADRO Clc1ncc(OCc2ccccc2)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866735 721093451 /nfs/dbraw/zinc/09/34/51/721093451.db2.gz UTIFWRBACSDQGB-RTWAWAEBSA-N 1 0 451.958 3.584 20 0 JHADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865638 721120212 /nfs/dbraw/zinc/12/02/12/721120212.db2.gz NTYRAXOEOXSFAW-AEFFLSMTSA-N 1 0 461.900 3.583 20 0 JHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164878218 721142369 /nfs/dbraw/zinc/14/23/69/721142369.db2.gz PRSHYMJHSZAMQQ-PUHATCMVSA-N 1 0 458.610 3.883 20 0 JHADRO Clc1cccc(COc2cncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164881217 721181928 /nfs/dbraw/zinc/18/19/28/721181928.db2.gz ZZLJQZWIPGGOSK-VXKWHMMOSA-N 1 0 451.958 3.584 20 0 JHADRO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164767705 721199250 /nfs/dbraw/zinc/19/92/50/721199250.db2.gz KJKNPGFWFZXAFX-YADHBBJMSA-N 1 0 479.698 3.986 20 0 JHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@@H]3C2)cn1 ZINC001164769780 721236459 /nfs/dbraw/zinc/23/64/59/721236459.db2.gz ZPQXHSBHFYBBOY-PKTZIBPZSA-N 1 0 454.578 3.901 20 0 JHADRO COc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164761150 721242629 /nfs/dbraw/zinc/24/26/29/721242629.db2.gz HVBHZKWUMQLVRF-MSOLQXFVSA-N 1 0 454.962 3.623 20 0 JHADRO Cc1ccc(-c2csc3ncnc(N4CCC5(CC4)COCC[N@@H+](CC(=O)N(C)C)C5)c23)cc1 ZINC001164870250 721269302 /nfs/dbraw/zinc/26/93/02/721269302.db2.gz UXHANNCXAMVCMF-UHFFFAOYSA-N 1 0 479.650 3.674 20 0 JHADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)CC2)C1 ZINC001164872457 721276935 /nfs/dbraw/zinc/27/69/35/721276935.db2.gz DLBSFXOCADGLMI-UHFFFAOYSA-N 1 0 494.039 3.957 20 0 JHADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC2)C1 ZINC001164872825 721284302 /nfs/dbraw/zinc/28/43/02/721284302.db2.gz GADREZDKODTRML-UHFFFAOYSA-N 1 0 485.790 3.594 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3cc(C(=O)OC)c(-c4cnn(C)c4)nc3CC2)nc1 ZINC001164779169 721324519 /nfs/dbraw/zinc/32/45/19/721324519.db2.gz VBIPDEOXEZDNOQ-DEOSSOPVSA-N 1 0 474.609 3.816 20 0 JHADRO CCOC(=O)c1sc2ncnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2c1C ZINC001164778104 721332221 /nfs/dbraw/zinc/33/22/21/721332221.db2.gz UIWMMDGNPUQVOW-VWLOTQADSA-N 1 0 499.637 3.900 20 0 JHADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c1 ZINC001164782594 721385409 /nfs/dbraw/zinc/38/54/09/721385409.db2.gz MLMUCTDSOYEYHL-JYFHCDHNSA-N 1 0 452.599 3.544 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc5ccc(Cl)cc5nc4Cl)C3)O2)CC1 ZINC001164892405 721402172 /nfs/dbraw/zinc/40/21/72/721402172.db2.gz YACRICZWUGRBSD-VGSWGCGISA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890112 721408094 /nfs/dbraw/zinc/40/80/94/721408094.db2.gz SCSCVXDDHNTMEG-VAVYLYDRSA-N 1 0 484.648 3.971 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc5c(Cl)ccnc54)C3)O2)CC1 ZINC001164888961 721408828 /nfs/dbraw/zinc/40/88/28/721408828.db2.gz PVWNNQGOTKCIGR-KSFYIVLOSA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5cccc(Cl)c54)C3)O2)CC1 ZINC001164883513 721411123 /nfs/dbraw/zinc/41/11/23/721411123.db2.gz AKOLSJORQHFIMO-OPAMFIHVSA-N 1 0 450.414 3.702 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc([Si](C)(C)C)c(Cl)n4)C3)O2)CC1 ZINC001164888832 721424402 /nfs/dbraw/zinc/42/44/02/721424402.db2.gz OVEYTZBSUJHNTB-AVRDEDQJSA-N 1 0 487.111 3.591 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc([Si](C)(C)C)c(Cl)n4)C3)O2)CC1 ZINC001164888837 721424520 /nfs/dbraw/zinc/42/45/20/721424520.db2.gz OVEYTZBSUJHNTB-GCJKJVERSA-N 1 0 487.111 3.591 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C3)O2)CC1 ZINC001164895388 721429828 /nfs/dbraw/zinc/42/98/28/721429828.db2.gz OHCZLRAASCWGBW-HOYKHHGWSA-N 1 0 455.006 3.530 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)C3)O2)CC1 ZINC001164894906 721431521 /nfs/dbraw/zinc/43/15/21/721431521.db2.gz NBSPGEJNQOBNIY-WMZHIEFXSA-N 1 0 493.002 3.502 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc(Cl)c2c1 ZINC001164890291 721438902 /nfs/dbraw/zinc/43/89/02/721438902.db2.gz DDLVNWOORLDCSK-WZONZLPQSA-N 1 0 496.002 3.602 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(SCc5ccccc5)ncn4)C3)O2)CC1 ZINC001164895797 721442584 /nfs/dbraw/zinc/44/25/84/721442584.db2.gz POAOXTYAGYRBSA-RCZVLFRGSA-N 1 0 453.656 3.534 20 0 JHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(C(F)F)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164890716 721445747 /nfs/dbraw/zinc/44/57/47/721445747.db2.gz DMRGTZSVOSGAMF-GAJHUEQPSA-N 1 0 465.976 3.986 20 0 JHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c(F)ccc(F)c45)C3)O2)CC1 ZINC001164884882 721451642 /nfs/dbraw/zinc/45/16/42/721451642.db2.gz BQVMZUJRACZBHE-MWTRTKDXSA-N 1 0 450.961 3.932 20 0 JHADRO CCc1c(Cl)nnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1CC ZINC001164783303 721460478 /nfs/dbraw/zinc/46/04/78/721460478.db2.gz DFPNZOACHQREHP-LJQANCHMSA-N 1 0 451.055 3.989 20 0 JHADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164788708 721461419 /nfs/dbraw/zinc/46/14/19/721461419.db2.gz VRYARDLEUHYLDE-FQEVSTJZSA-N 1 0 480.049 3.954 20 0 JHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164789899 721464142 /nfs/dbraw/zinc/46/41/42/721464142.db2.gz YGVUEKBXRGAPQY-XMMPIXPASA-N 1 0 466.626 3.790 20 0 JHADRO C=Cc1nc(Cl)nc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1OC ZINC001164786492 721465274 /nfs/dbraw/zinc/46/52/74/721465274.db2.gz BNHDYEDKKRXZPR-GOSISDBHSA-N 1 0 451.011 3.516 20 0 JHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)N3CCC[C@H](C)C3)cn1)CC2 ZINC001164788794 721466955 /nfs/dbraw/zinc/46/69/55/721466955.db2.gz LAMNTJRNCDVYGJ-DHLKQENFSA-N 1 0 484.685 3.688 20 0 JHADRO CCCSc1ncnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1OC ZINC001164787362 721473415 /nfs/dbraw/zinc/47/34/15/721473415.db2.gz FCSBQGZJWRNLGF-HXUWFJFHSA-N 1 0 464.676 3.721 20 0 JHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4cccs4)nc4sc5c(c42)CCC5)CC3)CC1 ZINC001164799215 721519222 /nfs/dbraw/zinc/51/92/22/721519222.db2.gz ZCIVFRUKCINLRI-UHFFFAOYSA-N 1 0 491.690 3.873 20 0 JHADRO COC(=O)c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl ZINC001164901447 721525061 /nfs/dbraw/zinc/52/50/61/721525061.db2.gz XJZAWBHUPLZFSU-DOTOQJQBSA-N 1 0 455.864 3.548 20 0 JHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4ncn5[C@H]4CCCCO4)CC[N@@H+]3C2)c1 ZINC001164904630 721532865 /nfs/dbraw/zinc/53/28/65/721532865.db2.gz FPXPMHLFYRMTJA-QXAKKESOSA-N 1 0 472.952 3.660 20 0 JHADRO CCOC(Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1)OCC ZINC001164905210 721533907 /nfs/dbraw/zinc/53/39/07/721533907.db2.gz GQGWJOKSKOERPN-MJGOQNOKSA-N 1 0 464.969 3.553 20 0 JHADRO CCOC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)n1 ZINC001164903900 721549972 /nfs/dbraw/zinc/54/99/72/721549972.db2.gz DIIOAISLPVEDTC-RDJZCZTQSA-N 1 0 469.891 3.938 20 0 JHADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(-c2ccc(Cl)nc2)n1 ZINC001164801114 721587677 /nfs/dbraw/zinc/58/76/77/721587677.db2.gz DRTUGKLXLXPDLX-ZRCGQRJVSA-N 1 0 450.974 3.764 20 0 JHADRO CC(C)NC(=O)C[C@@H]1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)n3)CC2)Oc2ccccc21 ZINC001164799472 721593260 /nfs/dbraw/zinc/59/32/60/721593260.db2.gz MGNRINAMJDUCHE-JOCHJYFZSA-N 1 0 477.653 3.653 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@@H]3C2)nc1 ZINC001164804350 721603179 /nfs/dbraw/zinc/60/31/79/721603179.db2.gz YCIDKOLAOVFGPE-ISJGIBHGSA-N 1 0 463.626 3.586 20 0 JHADRO COc1nc(-c2ccccc2)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908704 721713320 /nfs/dbraw/zinc/71/33/20/721713320.db2.gz YRBHTVVRDZTCOW-QHCPKHFHSA-N 1 0 452.509 3.680 20 0 JHADRO COc1nc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907740 721720678 /nfs/dbraw/zinc/72/06/78/721720678.db2.gz SZLBDEBJALZOFT-SFHVURJKSA-N 1 0 459.875 3.816 20 0 JHADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904917 721720807 /nfs/dbraw/zinc/72/08/07/721720807.db2.gz FPAZPUGZXIXVNL-IBGZPJMESA-N 1 0 471.886 3.512 20 0 JHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165017298 721783214 /nfs/dbraw/zinc/78/32/14/721783214.db2.gz GFPRAUCMCFCPLK-BDTNDASRSA-N 1 0 493.986 3.696 20 0 JHADRO c1cn(Cc2ccccc2)c2cc[nH+]c(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)c12 ZINC001164915141 721786908 /nfs/dbraw/zinc/78/69/08/721786908.db2.gz INERINXSRITQMC-NDEPHWFRSA-N 1 0 469.589 3.587 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc1 ZINC001164913209 721799719 /nfs/dbraw/zinc/79/97/19/721799719.db2.gz BGIRKPDNFRRFJK-BDYUSTAISA-N 1 0 465.642 3.521 20 0 JHADRO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)C1=O ZINC001165022204 721821673 /nfs/dbraw/zinc/82/16/73/721821673.db2.gz GSBCVXFFIRJKJR-HQRMLTQVSA-N 1 0 455.006 3.626 20 0 JHADRO Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+]c(N5CCCC5)cc5ccccc54)CCO3)C2)cs1 ZINC001164921111 721832730 /nfs/dbraw/zinc/83/27/30/721832730.db2.gz IIHFTNGIQRPTMF-SANMLTNESA-N 1 0 479.650 3.708 20 0 JHADRO CCOC(=O)c1cc2cccnc2nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165019343 721840886 /nfs/dbraw/zinc/84/08/86/721840886.db2.gz DUKYXKUSHIUPHU-UHFFFAOYSA-N 1 0 464.566 3.925 20 0 JHADRO COC(=O)[C@@H](C)c1c(Cl)ncnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165030865 721845274 /nfs/dbraw/zinc/84/52/74/721845274.db2.gz KZMQMHZCAFPGPL-HNNXBMFYSA-N 1 0 462.978 3.525 20 0 JHADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN(C)C)nc2scc(-c3ccccc3)c21 ZINC001164933318 721885404 /nfs/dbraw/zinc/88/54/04/721885404.db2.gz LZOJZFBDBOHGQL-LEWJYISDSA-N 1 0 450.656 3.635 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4c(Cl)nc(N5CCOCC5)nc4Cl)CC3)C2)cc1 ZINC001164939520 721927182 /nfs/dbraw/zinc/92/71/82/721927182.db2.gz LWJJHMXVMCCMFE-UHFFFAOYSA-N 1 0 492.451 3.800 20 0 JHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4nc5[nH]cnc5c(Cl)n4)CC3)C2)cc1 ZINC001164939582 721931307 /nfs/dbraw/zinc/93/13/07/721931307.db2.gz MOQCYUBNXKQEOH-UHFFFAOYSA-N 1 0 462.932 3.683 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nc1 ZINC001165050802 721981705 /nfs/dbraw/zinc/98/17/05/721981705.db2.gz WROADESGYYAVKX-ZJSXRUAMSA-N 1 0 450.583 3.507 20 0 JHADRO COC(=O)c1ccc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(Cl)n1 ZINC001164952450 722017111 /nfs/dbraw/zinc/01/71/11/722017111.db2.gz KXDBSTBOTCGJEH-UHFFFAOYSA-N 1 0 450.917 3.954 20 0 JHADRO O=C(Nc1nncs1)c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(Cl)c1 ZINC001164955299 722022733 /nfs/dbraw/zinc/02/27/33/722022733.db2.gz DXXIBTLPFMKMTO-UHFFFAOYSA-N 1 0 470.002 3.726 20 0 JHADRO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)n1 ZINC001164957364 722027032 /nfs/dbraw/zinc/02/70/32/722027032.db2.gz BBVRIJLJQXDFPD-SHQCIBLASA-N 1 0 466.626 3.852 20 0 JHADRO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)n1 ZINC001164957368 722027177 /nfs/dbraw/zinc/02/71/77/722027177.db2.gz BBVRIJLJQXDFPD-SQHAQQRYSA-N 1 0 466.626 3.852 20 0 JHADRO Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164959904 722028468 /nfs/dbraw/zinc/02/84/68/722028468.db2.gz JJQARQXYJJXHGE-GSLIJJQTSA-N 1 0 460.553 3.989 20 0 JHADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4nc(-c5ccncc5)nc5c4CCC5)CC3)C2)ccn1 ZINC001164963479 722060922 /nfs/dbraw/zinc/06/09/22/722060922.db2.gz ZWLCBQAVISVUGH-UHFFFAOYSA-N 1 0 456.594 3.541 20 0 JHADRO O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]2C1 ZINC001164972797 722086381 /nfs/dbraw/zinc/08/63/81/722086381.db2.gz MTSNQAHGJQJURC-BJWYYQGGSA-N 1 0 450.961 3.788 20 0 JHADRO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2n1 ZINC001164975553 722107437 /nfs/dbraw/zinc/10/74/37/722107437.db2.gz CNEPLOYUZTYMCF-KBPBESRZSA-N 1 0 480.787 3.502 20 0 JHADRO Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164982349 722108463 /nfs/dbraw/zinc/10/84/63/722108463.db2.gz NRXCEDHYQXXQIS-RCZVLFRGSA-N 1 0 491.039 3.768 20 0 JHADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975167 722145268 /nfs/dbraw/zinc/14/52/68/722145268.db2.gz FAAJJLSSJVNVLL-PXNSSMCTSA-N 1 0 459.928 3.950 20 0 JHADRO O=C(OCc1ccccc1)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979635 722145935 /nfs/dbraw/zinc/14/59/35/722145935.db2.gz LPYNEKUNYWVIER-DQEYMECFSA-N 1 0 458.562 3.561 20 0 JHADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc4ccsc4c(N4CCOCC4)n2)C3)c1 ZINC001164993696 722194752 /nfs/dbraw/zinc/19/47/52/722194752.db2.gz HVHQKTKWEHOFHO-XMMPIXPASA-N 1 0 453.587 3.912 20 0 JHADRO CSc1ccc(Oc2cc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)ncn2)cc1 ZINC001165002283 722255559 /nfs/dbraw/zinc/25/55/59/722255559.db2.gz NBTCHSLFOHMGRZ-UHFFFAOYSA-N 1 0 454.600 3.676 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc(Cl)nc1Oc1ccc(F)cc1)CCC2 ZINC001165003639 722256709 /nfs/dbraw/zinc/25/67/09/722256709.db2.gz FUEZTKDTCDBLIZ-UHFFFAOYSA-N 1 0 460.941 3.746 20 0 JHADRO Cc1cccc(Oc2nc(Cl)ncc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165003702 722257870 /nfs/dbraw/zinc/25/78/70/722257870.db2.gz GJCUZZJFCFPIFT-UHFFFAOYSA-N 1 0 456.978 3.916 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2cc(F)cc(OC)c2)CC[N@@H+]1CCOC ZINC001306622961 1069313361 /nfs/dbraw/zinc/31/33/61/1069313361.db2.gz GTFJRNNHJRQZND-JOCHJYFZSA-N 1 0 482.604 3.782 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2ccsc2)CC[N@@H+]1CCOC ZINC001306622726 1069313291 /nfs/dbraw/zinc/31/32/91/1069313291.db2.gz DBDRSSLLZFQHIR-BWKNWUBXSA-N 1 0 484.670 3.555 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(OC)CCCC2)CC[N@@H+]1CCOC ZINC001306622785 1069313460 /nfs/dbraw/zinc/31/34/60/1069313460.db2.gz NQAJGDGYBJFWCL-HXUWFJFHSA-N 1 0 477.053 3.890 20 0 JHADRO C[NH+]1CCN(C[C@H](NC(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)c2ccccc2)CC1 ZINC001311275795 1069313999 /nfs/dbraw/zinc/31/39/99/1069313999.db2.gz ZUQMKZXOKBHGLV-RBBKRZOGSA-N 1 0 452.496 3.891 20 0 JHADRO Cn1cc(Br)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1=O ZINC001311281843 1069314863 /nfs/dbraw/zinc/31/48/63/1069314863.db2.gz IEXVIPBPFIHCNY-FXAWDEMLSA-N 1 0 459.388 3.666 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(F)c(F)c2)CC[N@@H+]1CCOC ZINC001306623630 1069315209 /nfs/dbraw/zinc/31/52/09/1069315209.db2.gz FLOBGBSEAWUGOS-KNQAVFIVSA-N 1 0 463.573 3.783 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CC[N@H+](CC)C2)CCO1 ZINC001306623970 1069316121 /nfs/dbraw/zinc/31/61/21/1069316121.db2.gz WBZXCJKVZQVLAL-CTNGQTDRSA-N 1 0 457.619 3.700 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2nc(C)c(C)s2)CC[N@@H+]1CCOC ZINC001306624181 1069317151 /nfs/dbraw/zinc/31/71/51/1069317151.db2.gz MFIYSYDQFJQPEA-HXUWFJFHSA-N 1 0 469.659 3.707 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001306624549 1069318102 /nfs/dbraw/zinc/31/81/02/1069318102.db2.gz ZJJLLSDJQCMNCF-RBUKOAKNSA-N 1 0 466.001 3.590 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2nc(C)c(C)s2)CC[N@@H+]1CCOC ZINC001306625661 1069319849 /nfs/dbraw/zinc/31/98/49/1069319849.db2.gz SFCMPTAXRGXMSA-WOJBJXKFSA-N 1 0 462.664 3.578 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC)n2CCc2ccc(Br)s2)CC[N@@H+]1CCOC ZINC001306626125 1069320737 /nfs/dbraw/zinc/32/07/37/1069320737.db2.gz CJHQGRQWXFMDLQ-MRXNPFEDSA-N 1 0 470.481 3.844 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(F)c(F)c2)CC[N@@H+]1CCOC ZINC001306626434 1069321378 /nfs/dbraw/zinc/32/13/78/1069321378.db2.gz YHKAGQAQSZRKEI-RTWAWAEBSA-N 1 0 477.600 3.630 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCCO2)CC[N@@H+]1CCOC ZINC001306626727 1069322099 /nfs/dbraw/zinc/32/20/99/1069322099.db2.gz KKZHYICNVBWFRF-FGZHOGPDSA-N 1 0 459.610 3.514 20 0 JHADRO CCC[C@@H]1CN(c2nnc(CC)n2Cc2ccccc2OC(F)(F)F)CC[N@@H+]1CCOC ZINC001306627158 1069323403 /nfs/dbraw/zinc/32/34/03/1069323403.db2.gz RHCRFKMFLYKVQQ-GOSISDBHSA-N 1 0 455.525 3.725 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccccc2Cl)CC[N@@H+]1CCOC ZINC001306628422 1069326362 /nfs/dbraw/zinc/32/63/62/1069326362.db2.gz JMEAPEMNDIKGCR-JOCHJYFZSA-N 1 0 469.033 3.903 20 0 JHADRO CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001306628593 1069327039 /nfs/dbraw/zinc/32/70/39/1069327039.db2.gz FBJQXPLWOGEWLE-SXWKCWPCSA-N 1 0 471.694 3.902 20 0 JHADRO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2nc3cc(OC)ccc3n2C)CC[N@@H+]1CCOC ZINC001306630150 1069329431 /nfs/dbraw/zinc/32/94/31/1069329431.db2.gz NQQWZFQZLNZOOY-FQEVSTJZSA-N 1 0 497.688 3.747 20 0 JHADRO CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCO1 ZINC001306630655 1069330161 /nfs/dbraw/zinc/33/01/61/1069330161.db2.gz XFUQIPFKEMCGOW-NRFANRHFSA-N 1 0 476.691 3.529 20 0 JHADRO CCC[C@@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001306631260 1069331524 /nfs/dbraw/zinc/33/15/24/1069331524.db2.gz FBEDRQKZJBNHBG-HSZRJFAPSA-N 1 0 471.646 3.993 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(C)(F)F)cc2)CC[N@@H+]1CCOC ZINC001306631731 1069332534 /nfs/dbraw/zinc/33/25/34/1069332534.db2.gz ULOZGHZKEGJULA-RBBKRZOGSA-N 1 0 477.600 3.879 20 0 JHADRO COC(=O)c1cccc2c1CCN(C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)C2 ZINC001311346899 1069333406 /nfs/dbraw/zinc/33/34/06/1069333406.db2.gz DDNSRUROJZRDPU-XMMPIXPASA-N 1 0 451.567 3.777 20 0 JHADRO COc1ccc([C@H](CNC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)[NH+](C)C)cc1OC ZINC001311347593 1069334199 /nfs/dbraw/zinc/33/41/99/1069334199.db2.gz DNVNZLPAPGFUKY-DXIQSLLYSA-N 1 0 465.953 3.928 20 0 JHADRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)Cc3c(Cl)cccc3Cl)cn2)CC1 ZINC001311356366 1069340492 /nfs/dbraw/zinc/34/04/92/1069340492.db2.gz SQTXCGWOVKVCHO-INIZCTEOSA-N 1 0 450.414 3.961 20 0 JHADRO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(F)(F)F)n2)CC[N@@H+]1CCOC ZINC001306635558 1069342344 /nfs/dbraw/zinc/34/23/44/1069342344.db2.gz PTYHXMPZQYRZGT-RBUKOAKNSA-N 1 0 482.551 3.529 20 0 JHADRO COc1ccccc1C[C@](C)(CO)NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001311358757 1069342833 /nfs/dbraw/zinc/34/28/33/1069342833.db2.gz MXQKNRLQOAMRQA-PBDKAQRYSA-N 1 0 453.627 3.966 20 0 JHADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCS(=O)(=O)c4ccccc4C3)cc2)C1 ZINC001311360919 1069344535 /nfs/dbraw/zinc/34/45/35/1069344535.db2.gz QLLGXXWWFGKHHS-WOJBJXKFSA-N 1 0 455.624 3.664 20 0 JHADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(Cl)c2)CC[N@@H+]1CCOC ZINC001306636371 1069345259 /nfs/dbraw/zinc/34/52/59/1069345259.db2.gz YUSQGTBVPGVIGH-DENIHFKCSA-N 1 0 478.037 3.777 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(F)(F)F ZINC001311368735 1069347304 /nfs/dbraw/zinc/34/73/04/1069347304.db2.gz QQVVBBOSFUIKOU-FQEVSTJZSA-N 1 0 450.546 3.927 20 0 JHADRO COc1ccc(N2C[C@H](NC(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC2=O)cc1 ZINC001311369771 1069347516 /nfs/dbraw/zinc/34/75/16/1069347516.db2.gz IPAPVMUPKIMKSW-KNQAVFIVSA-N 1 0 456.974 3.590 20 0 JHADRO CCOC[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001311379366 1069353197 /nfs/dbraw/zinc/35/31/97/1069353197.db2.gz ZWQRFIWIPZTTDR-HSZRJFAPSA-N 1 0 450.627 3.967 20 0 JHADRO CCOC[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001311379367 1069353369 /nfs/dbraw/zinc/35/33/69/1069353369.db2.gz ZWQRFIWIPZTTDR-QHCPKHFHSA-N 1 0 450.627 3.967 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@H](c3cccs3)C3(CO)CCC3)CC2)c1 ZINC001311380265 1069353647 /nfs/dbraw/zinc/35/36/47/1069353647.db2.gz JTHDLPIYERLOEZ-HSZRJFAPSA-N 1 0 456.656 3.772 20 0 JHADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N3CC(OCCCc4ccccc4)C3)CC2)c1 ZINC001311382252 1069355118 /nfs/dbraw/zinc/35/51/18/1069355118.db2.gz XPSDHEIYXKFHAP-UHFFFAOYSA-N 1 0 450.627 3.550 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001306645583 1069356743 /nfs/dbraw/zinc/35/67/43/1069356743.db2.gz KUNUVLNULCUFLF-PMACEKPBSA-N 1 0 462.038 3.961 20 0 JHADRO CCC[C@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001306646684 1069358320 /nfs/dbraw/zinc/35/83/20/1069358320.db2.gz MTYHLKOBHIBNKY-MOPGFXCFSA-N 1 0 492.462 3.681 20 0 JHADRO CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)Cc1ccccc1 ZINC001311391348 1069358546 /nfs/dbraw/zinc/35/85/46/1069358546.db2.gz FLQMEMQRXPSTRD-DQEYMECFSA-N 1 0 450.627 3.934 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1)Cc1ccccc1 ZINC001311391349 1069358587 /nfs/dbraw/zinc/35/85/87/1069358587.db2.gz FLQMEMQRXPSTRD-JWQCQUIFSA-N 1 0 450.627 3.934 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2Cc2cccnc2OC)CC[N@@H+]1CCOC ZINC001306647872 1069360408 /nfs/dbraw/zinc/36/04/08/1069360408.db2.gz QAUUAMZKMYSHMX-JOCHJYFZSA-N 1 0 464.614 3.643 20 0 JHADRO CC(C)[C@H](CNC(=O)NCc1cc(Br)c2c(c1)OCCO2)[NH+]1CCC(C)CC1 ZINC001311397724 1069361408 /nfs/dbraw/zinc/36/14/08/1069361408.db2.gz WKHDLQFXHOGNDD-SFHVURJKSA-N 1 0 454.409 3.776 20 0 JHADRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OCc2cccnc2)cc1 ZINC001311422571 1069370270 /nfs/dbraw/zinc/37/02/70/1069370270.db2.gz BYXUGOAIEQTDQL-OWAUWMPXSA-N 1 0 452.599 3.789 20 0 JHADRO Cc1ccc(CNC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1Br ZINC001311421649 1069369209 /nfs/dbraw/zinc/36/92/09/1069369209.db2.gz FQRIWXGWDHEGKQ-QFIPXVFZSA-N 1 0 459.432 3.936 20 0 JHADRO C[C@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001311427534 1069374638 /nfs/dbraw/zinc/37/46/38/1069374638.db2.gz ZQGAGESSTYUPNB-BVVFMGSASA-N 1 0 456.631 3.747 20 0 JHADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NCc1ccnc(OC2CCCCC2)c1 ZINC001311423769 1069371416 /nfs/dbraw/zinc/37/14/16/1069371416.db2.gz QEZFZLOLRQUCFO-UHFFFAOYSA-N 1 0 451.615 3.805 20 0 JHADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)C1 ZINC001311440235 1069381202 /nfs/dbraw/zinc/38/12/02/1069381202.db2.gz COQDJOXATMSKLD-LJQANCHMSA-N 1 0 457.537 3.863 20 0 JHADRO COc1cccc([C@H](NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c2cc(F)ccc2OC)c1 ZINC001311441033 1069381657 /nfs/dbraw/zinc/38/16/57/1069381657.db2.gz LGIKBEFVMAFERJ-URXFXBBRSA-N 1 0 459.562 3.588 20 0 JHADRO COc1cc(OC)cc(Oc2ccc(CNC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc2)c1 ZINC001311443194 1069382234 /nfs/dbraw/zinc/38/22/34/1069382234.db2.gz YCQQDPSKVSWWCD-XMMPIXPASA-N 1 0 457.571 3.652 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(C)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001306662547 1069383939 /nfs/dbraw/zinc/38/39/39/1069383939.db2.gz UJNMSFPRMGFWMG-DEOSSOPVSA-N 1 0 454.663 3.927 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001306665231 1069391309 /nfs/dbraw/zinc/39/13/09/1069391309.db2.gz OZLCBQXSZMNPCP-FYYLOGMGSA-N 1 0 474.694 3.869 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001306666551 1069394548 /nfs/dbraw/zinc/39/45/48/1069394548.db2.gz XEJAHYCOQDABMI-CIXCFARBSA-N 1 0 488.721 3.767 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001306666082 1069393142 /nfs/dbraw/zinc/39/31/42/1069393142.db2.gz VSKLVUJUXBVSGV-XMMPIXPASA-N 1 0 481.689 3.613 20 0 JHADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001306666691 1069395018 /nfs/dbraw/zinc/39/50/18/1069395018.db2.gz ZRJJSHVRFVJGCJ-DHIUTWEWSA-N 1 0 474.694 3.521 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC12CCC2 ZINC001311480329 1069397717 /nfs/dbraw/zinc/39/77/17/1069397717.db2.gz KQDIPMWQAFELST-HXUWFJFHSA-N 1 0 457.619 3.667 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)cc2F)CC1 ZINC001306679274 1069404408 /nfs/dbraw/zinc/40/44/08/1069404408.db2.gz GTJZUPVQCDHWTK-UHFFFAOYSA-N 1 0 486.636 3.658 20 0 JHADRO CCCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001306679360 1069404981 /nfs/dbraw/zinc/40/49/81/1069404981.db2.gz IEBVIHZORJTJJP-HBMCJLEFSA-N 1 0 478.682 3.642 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C)n2Cc2cccnc2OCC(F)(F)F)CC1 ZINC001306679327 1069405009 /nfs/dbraw/zinc/40/50/09/1069405009.db2.gz HIPDKHSMDPDXSY-UHFFFAOYSA-N 1 0 454.541 3.919 20 0 JHADRO CCCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001306679361 1069405172 /nfs/dbraw/zinc/40/51/72/1069405172.db2.gz IEBVIHZORJTJJP-QHAWAJNXSA-N 1 0 478.682 3.642 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2cccs2)CC1 ZINC001306679747 1069405778 /nfs/dbraw/zinc/40/57/78/1069405778.db2.gz SSCRPPKMULJIAE-DEOSSOPVSA-N 1 0 469.659 3.653 20 0 JHADRO C[C@H](NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C(F)F ZINC001311496281 1069406233 /nfs/dbraw/zinc/40/62/33/1069406233.db2.gz LYFOMTIHUBDGMQ-XDHUDOTRSA-N 1 0 457.525 3.771 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2COCCO2)CC1 ZINC001306680335 1069407203 /nfs/dbraw/zinc/40/72/03/1069407203.db2.gz MUVWGDYJWIURII-DEOSSOPVSA-N 1 0 498.672 3.511 20 0 JHADRO CCCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001306680342 1069407223 /nfs/dbraw/zinc/40/72/23/1069407223.db2.gz NFKCKOMGJKEIHK-OYRHEFFESA-N 1 0 490.693 3.930 20 0 JHADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001306680673 1069407577 /nfs/dbraw/zinc/40/75/77/1069407577.db2.gz YFBMXDXAGXCVSP-NRFANRHFSA-N 1 0 462.683 3.630 20 0 JHADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)N3CCN(c4c(F)cccc4F)CC3)cc2)C[C@H](C)O1 ZINC001311498150 1069407702 /nfs/dbraw/zinc/40/77/02/1069407702.db2.gz PHPHLASPXOQHRW-OALUTQOASA-N 1 0 458.553 3.606 20 0 JHADRO CCCN(C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001311501362 1069410303 /nfs/dbraw/zinc/41/03/03/1069410303.db2.gz IHSBBDUTKSWRNY-GOTSBHOMSA-N 1 0 457.663 3.883 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001306681821 1069411892 /nfs/dbraw/zinc/41/18/92/1069411892.db2.gz VEDRNJDSPPKDTF-MOPGFXCFSA-N 1 0 475.707 3.903 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001306681823 1069411905 /nfs/dbraw/zinc/41/19/05/1069411905.db2.gz VEDRNJDSPPKDTF-RBUKOAKNSA-N 1 0 475.707 3.903 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001306683416 1069416660 /nfs/dbraw/zinc/41/66/60/1069416660.db2.gz XYQVAKFGQDSXNI-UHFFFAOYSA-N 1 0 474.053 3.668 20 0 JHADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001306682955 1069415301 /nfs/dbraw/zinc/41/53/01/1069415301.db2.gz RKTQVFWFCAVYPA-UHFFFAOYSA-N 1 0 463.648 3.516 20 0 JHADRO CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001306686856 1069423147 /nfs/dbraw/zinc/42/31/47/1069423147.db2.gz YGMZNEIAMVTOJS-OAQYLSRUSA-N 1 0 474.675 3.712 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306688326 1069425239 /nfs/dbraw/zinc/42/52/39/1069425239.db2.gz OLYCOTHQLWBKPU-UHFFFAOYSA-N 1 0 454.663 3.604 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001306688505 1069426020 /nfs/dbraw/zinc/42/60/20/1069426020.db2.gz PJDCRENURHNBIU-GOSISDBHSA-N 1 0 470.559 3.813 20 0 JHADRO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC001311535026 1069427780 /nfs/dbraw/zinc/42/77/80/1069427780.db2.gz HGURLPTVRPTXTO-NRFANRHFSA-N 1 0 453.469 3.889 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C(C)C)N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001311533707 1069426873 /nfs/dbraw/zinc/42/68/73/1069426873.db2.gz OFBANPNIYFQYLU-RTWAWAEBSA-N 1 0 458.569 3.744 20 0 JHADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001306689847 1069427177 /nfs/dbraw/zinc/42/71/77/1069427177.db2.gz ZYZDZHIBOSAQGO-UHFFFAOYSA-N 1 0 466.596 3.984 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@@H]1C(F)(F)F ZINC001311566212 1069440815 /nfs/dbraw/zinc/44/08/15/1069440815.db2.gz KXXVUDLJBRVPBE-HOTGVXAUSA-N 1 0 450.546 3.596 20 0 JHADRO CC1CC[NH+]([C@@H](CNC(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)c2cccs2)CC1 ZINC001311568119 1069441407 /nfs/dbraw/zinc/44/14/07/1069441407.db2.gz BWTQWRIXXJRCTQ-RXVVDRJESA-N 1 0 451.583 3.950 20 0 JHADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(F)c1 ZINC001311573837 1069445312 /nfs/dbraw/zinc/44/53/12/1069445312.db2.gz XMDXJYSCHOFXSU-NJYVYQBISA-N 1 0 452.496 3.791 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1Cl ZINC001311570110 1069442632 /nfs/dbraw/zinc/44/26/32/1069442632.db2.gz XKOKVBHVFWPNSA-VGSWGCGISA-N 1 0 455.990 3.821 20 0 JHADRO CCCN(C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001311571841 1069443434 /nfs/dbraw/zinc/44/34/34/1069443434.db2.gz NAVHTRRBKKXWSB-DQEYMECFSA-N 1 0 456.675 3.964 20 0 JHADRO CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001306711661 1069444449 /nfs/dbraw/zinc/44/44/49/1069444449.db2.gz ZOSKCKHMLZEPTI-UHFFFAOYSA-N 1 0 454.667 3.810 20 0 JHADRO CCN(CC)C(=O)CCC1CCN(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC001311572704 1069444559 /nfs/dbraw/zinc/44/45/59/1069444559.db2.gz NNTQRPUVMZZYIO-HSZRJFAPSA-N 1 0 458.647 3.902 20 0 JHADRO COC(=O)c1ccc(F)c2c1CN(C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)CC2 ZINC001311581880 1069449348 /nfs/dbraw/zinc/44/93/48/1069449348.db2.gz UUVXIHJGOIWFSB-QHCPKHFHSA-N 1 0 455.530 3.526 20 0 JHADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1 ZINC001311588269 1069452356 /nfs/dbraw/zinc/45/23/56/1069452356.db2.gz KENPGUDDKMKWCS-QHCPKHFHSA-N 1 0 458.628 3.644 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC001311590524 1069453567 /nfs/dbraw/zinc/45/35/67/1069453567.db2.gz QXBFEMPLBIKTFK-XNMGPUDCSA-N 1 0 475.637 3.885 20 0 JHADRO CCCCn1cc(Cn2c(Cc3ccccc3F)nnc2N2CC[N@H+](CC)[C@H](C)C2)c(C)n1 ZINC001306720454 1069454978 /nfs/dbraw/zinc/45/49/78/1069454978.db2.gz SOWQPKCAXDSWBO-LJQANCHMSA-N 1 0 453.610 3.892 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001306720220 1069455125 /nfs/dbraw/zinc/45/51/25/1069455125.db2.gz HJFCDNJJZRHGAT-RTBURBONSA-N 1 0 488.599 3.619 20 0 JHADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001311594146 1069455651 /nfs/dbraw/zinc/45/56/51/1069455651.db2.gz FATSJQFQIMZULS-HSZRJFAPSA-N 1 0 458.628 3.644 20 0 JHADRO Cc1ccc([C@H](CN2CCOCC2)NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001311595944 1069457557 /nfs/dbraw/zinc/45/75/57/1069457557.db2.gz YWVHZMOGQJUMDU-BVAGGSTKSA-N 1 0 450.627 3.674 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001306721540 1069457877 /nfs/dbraw/zinc/45/78/77/1069457877.db2.gz BDKJANNNLJKLNI-KCZVDYSFSA-N 1 0 486.636 3.879 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 ZINC001306721953 1069458902 /nfs/dbraw/zinc/45/89/02/1069458902.db2.gz DCUPLWPERVTQDT-JOCHJYFZSA-N 1 0 482.677 3.579 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306721897 1069458999 /nfs/dbraw/zinc/45/89/99/1069458999.db2.gz CMBJZBPVZOQXRX-LEWJYISDSA-N 1 0 455.603 3.608 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCNC(=O)CC1 ZINC001306722442 1069460588 /nfs/dbraw/zinc/46/05/88/1069460588.db2.gz LJRFJECPXUNBAQ-QFIPXVFZSA-N 1 0 498.672 3.722 20 0 JHADRO CC[C@@H](NC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)NC ZINC001311611127 1069462957 /nfs/dbraw/zinc/46/29/57/1069462957.db2.gz ISKXJXIAYSMABQ-FYYLOGMGSA-N 1 0 452.599 3.569 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001306723519 1069463484 /nfs/dbraw/zinc/46/34/84/1069463484.db2.gz SXCZFRCKQAMFJP-FQEVSTJZSA-N 1 0 474.053 3.740 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001306723416 1069463642 /nfs/dbraw/zinc/46/36/42/1069463642.db2.gz QUERUYMOEUQVJD-NQIIRXRSSA-N 1 0 474.675 3.655 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCNC(=O)CC1 ZINC001306724517 1069465277 /nfs/dbraw/zinc/46/52/77/1069465277.db2.gz YHPUHAXXHUQVBG-DHIUTWEWSA-N 1 0 452.647 3.801 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCS(=O)CC1 ZINC001306727032 1069471164 /nfs/dbraw/zinc/47/11/64/1069471164.db2.gz BREQMALGZPISGM-QFIPXVFZSA-N 1 0 473.687 3.697 20 0 JHADRO CCOC(=O)c1sc(CC2CCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)nc1C ZINC001311617559 1069469456 /nfs/dbraw/zinc/46/94/56/1069469456.db2.gz QROCUCJGSGDKDH-UHFFFAOYSA-N 1 0 450.649 3.855 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001306727266 1069471231 /nfs/dbraw/zinc/47/12/31/1069471231.db2.gz OWONUHZRRNZAQE-QHCPKHFHSA-N 1 0 470.662 3.754 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001306727337 1069471683 /nfs/dbraw/zinc/47/16/83/1069471683.db2.gz PUDBENZMJAZEIW-FCHUYYIVSA-N 1 0 490.693 3.884 20 0 JHADRO O=C(CCCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)Nc1ccc(Cl)cc1 ZINC001311621616 1069472221 /nfs/dbraw/zinc/47/22/21/1069472221.db2.gz ZPNHVVSANYHWMY-UHFFFAOYSA-N 1 0 451.011 3.593 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001306727599 1069472210 /nfs/dbraw/zinc/47/22/10/1069472210.db2.gz RCVMIFQWLGSLJV-PKTZIBPZSA-N 1 0 474.694 3.869 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001306727600 1069472690 /nfs/dbraw/zinc/47/26/90/1069472690.db2.gz RCVMIFQWLGSLJV-XZOQPEGZSA-N 1 0 474.694 3.869 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001306727794 1069473264 /nfs/dbraw/zinc/47/32/64/1069473264.db2.gz BRYWBVOGZHPGHI-BWKNWUBXSA-N 1 0 489.668 3.971 20 0 JHADRO COc1cc(OC)c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(OC)c1 ZINC001311630800 1069478889 /nfs/dbraw/zinc/47/88/89/1069478889.db2.gz UCSRBPOKJBKPEZ-NFBKMPQASA-N 1 0 453.583 3.909 20 0 JHADRO C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC001311632643 1069479911 /nfs/dbraw/zinc/47/99/11/1069479911.db2.gz JZYDIMVEMMZILR-JTHBVZDNSA-N 1 0 458.647 3.598 20 0 JHADRO C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)C[NH+]1CCCCC1 ZINC001311638872 1069484397 /nfs/dbraw/zinc/48/43/97/1069484397.db2.gz REWQGMGTUCGSDD-YLJYHZDGSA-N 1 0 454.537 3.618 20 0 JHADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306731074 1069484421 /nfs/dbraw/zinc/48/44/21/1069484421.db2.gz ONYJKOOBWXHCOZ-ZEQRLZLVSA-N 1 0 458.695 3.970 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCCC2)C1 ZINC001306731720 1069485443 /nfs/dbraw/zinc/48/54/43/1069485443.db2.gz FNSMYSRIHIKSQX-KAOXLYBCSA-N 1 0 488.721 3.814 20 0 JHADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001311646561 1069487828 /nfs/dbraw/zinc/48/78/28/1069487828.db2.gz WDQBVEQFMIPSGU-NVQXNPDNSA-N 1 0 458.647 3.982 20 0 JHADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC001311646986 1069487852 /nfs/dbraw/zinc/48/78/52/1069487852.db2.gz ZHICHEJNCQNAJB-FCHUYYIVSA-N 1 0 452.599 3.825 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001306733248 1069491726 /nfs/dbraw/zinc/49/17/26/1069491726.db2.gz MGPKZGAPAQDHPA-YPAWHYETSA-N 1 0 469.678 3.915 20 0 JHADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306734173 1069495444 /nfs/dbraw/zinc/49/54/44/1069495444.db2.gz BFLUBDOEWNDSBG-JOCHJYFZSA-N 1 0 484.714 3.905 20 0 JHADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001306733761 1069494514 /nfs/dbraw/zinc/49/45/14/1069494514.db2.gz ZRHUXLJTOUBUKO-CTNGQTDRSA-N 1 0 488.702 3.785 20 0 JHADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001311671703 1069497513 /nfs/dbraw/zinc/49/75/13/1069497513.db2.gz DQXNDVWWMQHHRH-BBWFWOEESA-N 1 0 455.430 3.827 20 0 JHADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccn3C)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001306735396 1069499919 /nfs/dbraw/zinc/49/99/19/1069499919.db2.gz QSGTWSZZHZAWTE-XPWALMASSA-N 1 0 483.705 3.927 20 0 JHADRO C[N@H+](CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1)Cc1ccccc1 ZINC001311686146 1069503391 /nfs/dbraw/zinc/50/33/91/1069503391.db2.gz WIFCTECGAWRANN-QFIPXVFZSA-N 1 0 453.587 3.517 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001306736913 1069503758 /nfs/dbraw/zinc/50/37/58/1069503758.db2.gz VJLDQNYCJXFRII-URXFXBBRSA-N 1 0 481.689 3.983 20 0 JHADRO CCCCNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)CC)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306737421 1069506696 /nfs/dbraw/zinc/50/66/96/1069506696.db2.gz MGMFBAZQLBSOGO-PMACEKPBSA-N 1 0 464.724 3.752 20 0 JHADRO Cc1ccc(C[C@H](CO)CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001311693734 1069506766 /nfs/dbraw/zinc/50/67/66/1069506766.db2.gz NCKJTXUHWREXOC-APWZRJJASA-N 1 0 454.453 3.718 20 0 JHADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccn3C)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001306738095 1069508085 /nfs/dbraw/zinc/50/80/85/1069508085.db2.gz YYBYEYXQBMSMAL-GOTSBHOMSA-N 1 0 483.705 3.927 20 0 JHADRO O=C(NCC1(c2ccc(F)cc2)CCOCC1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC001311696146 1069508408 /nfs/dbraw/zinc/50/84/08/1069508408.db2.gz PEIIBYWDEBJQGN-UHFFFAOYSA-N 1 0 457.512 3.978 20 0 JHADRO COc1ccccc1C1(CNC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC001311705171 1069511154 /nfs/dbraw/zinc/51/11/54/1069511154.db2.gz PURGIABTHJLTCT-UHFFFAOYSA-N 1 0 451.611 3.833 20 0 JHADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)C1 ZINC001311714685 1069515540 /nfs/dbraw/zinc/51/55/40/1069515540.db2.gz SMZNSOWKUIHIQX-GBXCKJPGSA-N 1 0 450.583 3.922 20 0 JHADRO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718802 1069517840 /nfs/dbraw/zinc/51/78/40/1069517840.db2.gz JKKQOWWIDZHXLW-WIRSXHRWSA-N 1 0 458.569 3.885 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001306742627 1069520587 /nfs/dbraw/zinc/52/05/87/1069520587.db2.gz FJYYRMAZSGJQEC-UHFFFAOYSA-N 1 0 466.674 3.794 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001306744381 1069525154 /nfs/dbraw/zinc/52/51/54/1069525154.db2.gz UTZFFCCSRDTKDP-UHFFFAOYSA-N 1 0 481.689 3.519 20 0 JHADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001306746226 1069530782 /nfs/dbraw/zinc/53/07/82/1069530782.db2.gz ZLTJYCOKRUSYKX-NRFANRHFSA-N 1 0 467.662 3.737 20 0 JHADRO COc1ccc(C2=NO[C@H](CNC(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC001311745587 1069531224 /nfs/dbraw/zinc/53/12/24/1069531224.db2.gz CWDXXTSJULGEPC-FPOVZHCZSA-N 1 0 454.546 3.539 20 0 JHADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC001311774659 1069541062 /nfs/dbraw/zinc/54/10/62/1069541062.db2.gz HIMDHSGKLIIJSB-RPWUZVMVSA-N 1 0 455.574 3.762 20 0 JHADRO CC[NH+]1CCC(CCNC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC001311801757 1069551718 /nfs/dbraw/zinc/55/17/18/1069551718.db2.gz PTTVTFYVCAGUKT-UHFFFAOYSA-N 1 0 452.437 3.919 20 0 JHADRO C[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(-n2cccn2)c1 ZINC001311820579 1069559740 /nfs/dbraw/zinc/55/97/40/1069559740.db2.gz TYBAUGVXTNNQFU-MOPGFXCFSA-N 1 0 450.562 3.885 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001311820897 1069560322 /nfs/dbraw/zinc/56/03/22/1069560322.db2.gz ATDGJAPCOADKFJ-REWPJTCUSA-N 1 0 454.590 3.682 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NC[C@H](C)Oc2cccc(OC)c2)CC1 ZINC001311821980 1069560947 /nfs/dbraw/zinc/56/09/47/1069560947.db2.gz GZZJVIYLXDRLHV-OALUTQOASA-N 1 0 458.578 3.804 20 0 JHADRO CCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306765772 1069567290 /nfs/dbraw/zinc/56/72/90/1069567290.db2.gz SXPYBZYIVOPNCY-BVZFJXPGSA-N 1 0 451.619 3.549 20 0 JHADRO CCCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H](C)c1nccs1 ZINC001306772856 1069570912 /nfs/dbraw/zinc/57/09/12/1069570912.db2.gz MSHZWTBPCIIJCE-HXUWFJFHSA-N 1 0 453.660 3.749 20 0 JHADRO CCCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)c1ccccn1 ZINC001306773096 1069570978 /nfs/dbraw/zinc/57/09/78/1069570978.db2.gz RZJHIOZRGDEVPF-UHFFFAOYSA-N 1 0 461.658 3.862 20 0 JHADRO CCCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1CC[NH+]1CCC(C)CC1 ZINC001306774350 1069571387 /nfs/dbraw/zinc/57/13/87/1069571387.db2.gz DGVLVMYYLWWUEA-UHFFFAOYSA-N 1 0 451.619 3.643 20 0 JHADRO CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001306776711 1069572418 /nfs/dbraw/zinc/57/24/18/1069572418.db2.gz VZXOXMQNAXUVHE-OAQYLSRUSA-N 1 0 499.660 3.785 20 0 JHADRO 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CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc3ccccc23)C1 ZINC001306782002 1069579953 /nfs/dbraw/zinc/57/99/53/1069579953.db2.gz IBNVIOHHBZOMFB-GOSISDBHSA-N 1 0 454.644 3.847 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001306781640 1069579999 /nfs/dbraw/zinc/57/99/99/1069579999.db2.gz BDYQHZUYCLFELM-NRFANRHFSA-N 1 0 484.645 3.600 20 0 JHADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001306781644 1069580073 /nfs/dbraw/zinc/58/00/73/1069580073.db2.gz BDYQHZUYCLFELM-OAQYLSRUSA-N 1 0 484.645 3.600 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccnc(OC(F)F)c2)C1 ZINC001306783700 1069583669 /nfs/dbraw/zinc/58/36/69/1069583669.db2.gz NXARCLRFYIHBJB-RBUKOAKNSA-N 1 0 464.561 3.733 20 0 JHADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2N2CCCCC2)C1 ZINC001306785193 1069586026 /nfs/dbraw/zinc/58/60/26/1069586026.db2.gz VHCVBTPANXDMEQ-QFIPXVFZSA-N 1 0 481.689 3.623 20 0 JHADRO 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CCC[N@H+](CC)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001306807170 1069620879 /nfs/dbraw/zinc/62/08/79/1069620879.db2.gz PGKLFDIKSSDCGP-UHFFFAOYSA-N 1 0 473.000 3.586 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001306807328 1069621634 /nfs/dbraw/zinc/62/16/34/1069621634.db2.gz RVPWWLGPJSQKIU-SFHVURJKSA-N 1 0 465.017 3.965 20 0 JHADRO CCC[N@H+](CC)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001306807359 1069621688 /nfs/dbraw/zinc/62/16/88/1069621688.db2.gz UCHWLLPMXXIHRW-HXOBKFHXSA-N 1 0 466.001 3.854 20 0 JHADRO CCC[N@H+](CC)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001306807666 1069622160 /nfs/dbraw/zinc/62/21/60/1069622160.db2.gz ZGGUJHKPRDDJSM-CPJSRVTESA-N 1 0 475.609 3.502 20 0 JHADRO CCC[N@H+](CC)CCn1c([C@H]2CCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001306808422 1069624924 /nfs/dbraw/zinc/62/49/24/1069624924.db2.gz LJZBUZAEZKDFTC-LJQANCHMSA-N 1 0 464.655 3.745 20 0 JHADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCN(CCOc2ccccc2)CC1 ZINC001311947223 1069627629 /nfs/dbraw/zinc/62/76/29/1069627629.db2.gz XHRBZGRHXSLUKP-UHFFFAOYSA-N 1 0 450.627 3.969 20 0 JHADRO CCOc1cc(C)ccc1Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001314156651 1069629075 /nfs/dbraw/zinc/62/90/75/1069629075.db2.gz IVWUAWQGDAYGOO-RQTOMXEWSA-N 1 0 496.700 3.926 20 0 JHADRO COc1ccc(Cl)cc1CCNC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC001311957350 1069636003 /nfs/dbraw/zinc/63/60/03/1069636003.db2.gz IUPMCYBUXJCNSN-UHFFFAOYSA-N 1 0 458.990 3.813 20 0 JHADRO CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@H](C)c3ccc(F)c(Br)c3)CC2)CC1 ZINC001311958517 1069636555 /nfs/dbraw/zinc/63/65/55/1069636555.db2.gz CVGQWZKACCNFPP-MRXNPFEDSA-N 1 0 455.416 3.849 20 0 JHADRO CCOc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3CC3CC[NH+](CCC(C)C)CC3)CC2)n1 ZINC001314159384 1069640351 /nfs/dbraw/zinc/64/03/51/1069640351.db2.gz HIXBEDICIYOOJI-UHFFFAOYSA-N 1 0 498.720 3.983 20 0 JHADRO CCOc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3C[C@@]3([NH+](C)C)CCC[C@@H](C)C3)CC2)n1 ZINC001314160882 1069645943 /nfs/dbraw/zinc/64/59/43/1069645943.db2.gz YTCJUUVVGZKPEN-FQRUVTKNSA-N 1 0 484.693 3.736 20 0 JHADRO CCOc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3CC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC001314160380 1069643550 /nfs/dbraw/zinc/64/35/50/1069643550.db2.gz UOLXJNHOAOOYNF-OYRHEFFESA-N 1 0 498.720 3.982 20 0 JHADRO C[NH+](C)CC[C@@H](NC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccnc1 ZINC001311990091 1069653536 /nfs/dbraw/zinc/65/35/36/1069653536.db2.gz PDFAIOSJEUNLCG-YLJYHZDGSA-N 1 0 451.493 3.551 20 0 JHADRO CCC(CC)(CNC(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1)[NH2+][C@H](C)c1ccccc1 ZINC001311994987 1069656766 /nfs/dbraw/zinc/65/67/66/1069656766.db2.gz SXCZNFNDMKZPHH-MSOLQXFVSA-N 1 0 456.553 3.996 20 0 JHADRO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001311994511 1069656791 /nfs/dbraw/zinc/65/67/91/1069656791.db2.gz QCDXRZOJZXZPPL-QGZVFWFLSA-N 1 0 459.472 3.770 20 0 JHADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2(OCCO)CCC(C(F)F)CC2)CC1 ZINC001311996716 1069658192 /nfs/dbraw/zinc/65/81/92/1069658192.db2.gz ILQGCFFREXTPLW-ZGIGLSJSSA-N 1 0 453.574 3.714 20 0 JHADRO CCOc1ccccc1[C@](N)(C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)C(F)(F)F ZINC001306849522 1069658362 /nfs/dbraw/zinc/65/83/62/1069658362.db2.gz URYDNDCPHGAWIE-RXVVDRJESA-N 1 0 455.546 3.943 20 0 JHADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N[C@H]1COc2c(F)cc(F)cc2C1 ZINC001311998216 1069658757 /nfs/dbraw/zinc/65/87/57/1069658757.db2.gz NDEKLIBUBGZNQP-ZWKOTPCHSA-N 1 0 455.427 3.861 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)C3CCC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC001314164567 1069659296 /nfs/dbraw/zinc/65/92/96/1069659296.db2.gz QWSFVESKTXLNEQ-LJQANCHMSA-N 1 0 457.619 3.842 20 0 JHADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)C[C@H](c3cccs3)n3cccc3)cc2)CC1 ZINC001306858024 1069663543 /nfs/dbraw/zinc/66/35/43/1069663543.db2.gz PVLVCKBQTDQOBS-JOCHJYFZSA-N 1 0 450.608 3.543 20 0 JHADRO Cc1cc(F)ccc1N1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC001312004095 1069664078 /nfs/dbraw/zinc/66/40/78/1069664078.db2.gz YPQIHSJNQKYKPV-QHCPKHFHSA-N 1 0 454.590 3.559 20 0 JHADRO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N3CC[NH+](CC4CCOCC4)CC3)s2)cc1 ZINC001312005538 1069664606 /nfs/dbraw/zinc/66/46/06/1069664606.db2.gz BHTOYDPAYFGPAY-SFHVURJKSA-N 1 0 458.628 3.942 20 0 JHADRO CC1(C)[C@H](c2cccc(C(F)(F)F)c2)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001312006781 1069665348 /nfs/dbraw/zinc/66/53/48/1069665348.db2.gz AWFXXAVSXRDZLG-MJGOQNOKSA-N 1 0 454.537 3.570 20 0 JHADRO CCOc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001314168242 1069671786 /nfs/dbraw/zinc/67/17/86/1069671786.db2.gz NDZSEJWXQUYBHO-HXUWFJFHSA-N 1 0 481.645 3.843 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@H+](C)C(C)C)cc1OC ZINC001314167249 1069668247 /nfs/dbraw/zinc/66/82/47/1069668247.db2.gz FUMRJUHANBBREI-JXFKEZNVSA-N 1 0 485.551 3.849 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@H]2CC=CCO2)cc1OC ZINC001314167354 1069668950 /nfs/dbraw/zinc/66/89/50/1069668950.db2.gz FVODCGOOYRHPLC-QKNQBKEWSA-N 1 0 455.603 3.616 20 0 JHADRO C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC001306875976 1069669618 /nfs/dbraw/zinc/66/96/18/1069669618.db2.gz YNJRRLPPXJCETD-GFCCVEGCSA-N 1 0 456.959 3.620 20 0 JHADRO COC1CC[NH+](C(C)(C)CNC(=O)NCCc2c[nH]c3cccc(Br)c23)CC1 ZINC001312016240 1069672278 /nfs/dbraw/zinc/67/22/78/1069672278.db2.gz YMVINTYEJPVMER-UHFFFAOYSA-N 1 0 451.409 3.662 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001314168711 1069673767 /nfs/dbraw/zinc/67/37/67/1069673767.db2.gz HQTXRDKAOLQZPJ-ZVDOUQERSA-N 1 0 459.635 3.942 20 0 JHADRO CCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2CCc2nnc(C)s2)cc1OC ZINC001314169134 1069675591 /nfs/dbraw/zinc/67/55/91/1069675591.db2.gz UGQBEVUZYQZPKE-DLBZAZTESA-N 1 0 485.658 3.674 20 0 JHADRO COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001312024719 1069677643 /nfs/dbraw/zinc/67/76/43/1069677643.db2.gz IDXSPWKIABCIKC-VQTJNVASSA-N 1 0 462.516 3.821 20 0 JHADRO CO[C@H]1C[C@@H](N(C)C(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C12CCC2 ZINC001312023946 1069676997 /nfs/dbraw/zinc/67/69/97/1069676997.db2.gz FGILDUGLDJRTMX-UXHICEINSA-N 1 0 454.537 3.556 20 0 JHADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)N2CC[C@@](C)(C(F)(F)F)C2)CC1 ZINC001312026589 1069680283 /nfs/dbraw/zinc/68/02/83/1069680283.db2.gz POVQPEXYRXZCLQ-GOSISDBHSA-N 1 0 452.443 3.941 20 0 JHADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)NCC1(c2cccc(Br)c2)CC1 ZINC001312028598 1069683681 /nfs/dbraw/zinc/68/36/81/1069683681.db2.gz VHSBKDLBKLPKKA-UHFFFAOYSA-N 1 0 450.421 3.671 20 0 JHADRO CCOc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1OC ZINC001314171047 1069684116 /nfs/dbraw/zinc/68/41/16/1069684116.db2.gz ZYMLTJGPPWUGCG-UHFFFAOYSA-N 1 0 498.672 3.709 20 0 JHADRO C[C@@H]1CN(C(=O)N[C@H](COCc2ccccc2)c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001312044859 1069690165 /nfs/dbraw/zinc/69/01/65/1069690165.db2.gz NFHZNZLPBQIJGB-RCXJIHSJSA-N 1 0 450.627 3.612 20 0 JHADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC001312056623 1069696898 /nfs/dbraw/zinc/69/68/98/1069696898.db2.gz WTCSRKCZQMEIBL-TZRRMPRUSA-N 1 0 456.631 3.987 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CC(F)(F)F)cc1OC ZINC001314174755 1069699265 /nfs/dbraw/zinc/69/92/65/1069699265.db2.gz AKVNHYBYLOYJQK-LJQANCHMSA-N 1 0 496.578 3.519 20 0 JHADRO CCC[NH+](CCC)CCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001307005023 1069700248 /nfs/dbraw/zinc/70/02/48/1069700248.db2.gz LRHOHDOZYZWBRE-SFHVURJKSA-N 1 0 460.623 3.522 20 0 JHADRO C[NH+](C)C[C@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC001312069374 1069704367 /nfs/dbraw/zinc/70/43/67/1069704367.db2.gz STZOZLKJZQOZIA-ROUUACIJSA-N 1 0 458.525 3.911 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CCOC(C)C)cc1OC ZINC001314176313 1069705667 /nfs/dbraw/zinc/70/56/67/1069705667.db2.gz HOCWASKXWIOLKT-OAQYLSRUSA-N 1 0 457.619 3.842 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NCCCCn2ccnc2C)cc1 ZINC001312071985 1069705636 /nfs/dbraw/zinc/70/56/36/1069705636.db2.gz OMOPYLVARDGLPJ-IZZNHLLZSA-N 1 0 461.610 3.948 20 0 JHADRO CCCN(CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001307009493 1069707536 /nfs/dbraw/zinc/70/75/36/1069707536.db2.gz TVMKXKLDHNOTKS-FQEVSTJZSA-N 1 0 471.650 3.985 20 0 JHADRO CCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@](C)(O)[C@@H](C)CC)cc1OC ZINC001314176921 1069709263 /nfs/dbraw/zinc/70/92/63/1069709263.db2.gz OJIXPGOFORSQOY-UQBPGWFLSA-N 1 0 459.635 3.680 20 0 JHADRO CCC[NH+](CCC)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001307010808 1069710421 /nfs/dbraw/zinc/71/04/21/1069710421.db2.gz YXVOQRXEDAAMPN-NHCUHLMSSA-N 1 0 478.682 3.740 20 0 JHADRO CCCN(CCn1c(Cc2cccnc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001307012196 1069714988 /nfs/dbraw/zinc/71/49/88/1069714988.db2.gz DMPAROKVVHHFMG-QHCPKHFHSA-N 1 0 497.688 3.976 20 0 JHADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NCC2(SC)CCOCC2)cc1 ZINC001312097944 1069719939 /nfs/dbraw/zinc/71/99/39/1069719939.db2.gz WKABYQKNBHEEJY-BJKOFHAPSA-N 1 0 469.651 3.875 20 0 JHADRO CCOc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001314181193 1069724514 /nfs/dbraw/zinc/72/45/14/1069724514.db2.gz DQNAMWPSUHABNA-NRFANRHFSA-N 1 0 451.619 3.834 20 0 JHADRO CCOc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1OCC ZINC001314182070 1069727123 /nfs/dbraw/zinc/72/71/23/1069727123.db2.gz BSBDWDSOXCHYMH-JOCHJYFZSA-N 1 0 471.646 3.743 20 0 JHADRO CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001307023970 1069731860 /nfs/dbraw/zinc/73/18/60/1069731860.db2.gz KEVDAMQXPPDVLN-UNMCSNQZSA-N 1 0 484.645 3.707 20 0 JHADRO C[C@H]1CN(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC[N@@H+]1CC(C)(C)O ZINC001312116265 1069728461 /nfs/dbraw/zinc/72/84/61/1069728461.db2.gz FRHDEDXDDAJWQA-AWEZNQCLSA-N 1 0 456.534 3.816 20 0 JHADRO CCOc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001314183539 1069732643 /nfs/dbraw/zinc/73/26/43/1069732643.db2.gz IMGKARWKFHUDDB-FUPPJEDESA-N 1 0 471.646 3.707 20 0 JHADRO CCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001307027858 1069734674 /nfs/dbraw/zinc/73/46/74/1069734674.db2.gz JELGVWSCBGXBTD-HXUWFJFHSA-N 1 0 452.628 3.780 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(=Cc3cccc(OC)c3)CC2)C1 ZINC001307028932 1069735682 /nfs/dbraw/zinc/73/56/82/1069735682.db2.gz DMJFBXDYWXHUTA-HSZRJFAPSA-N 1 0 480.657 3.841 20 0 JHADRO CCc1ccc([C@H](NC(=O)NCC[N@@H+]2CCC(C)(C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001312131643 1069737971 /nfs/dbraw/zinc/73/79/71/1069737971.db2.gz PHUHZSXTYZZTRU-QHCPKHFHSA-N 1 0 457.640 3.773 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@@H](c3ccccc3)O[C@@H](C)C2)C1 ZINC001307029045 1069736343 /nfs/dbraw/zinc/73/63/43/1069736343.db2.gz HEOBURARFCKPCD-HFMPRLQTSA-N 1 0 482.673 3.895 20 0 JHADRO CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001314186659 1069740252 /nfs/dbraw/zinc/74/02/52/1069740252.db2.gz CKPCMXOFHAMTIJ-UHFFFAOYSA-N 1 0 465.646 3.897 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001307031274 1069741443 /nfs/dbraw/zinc/74/14/43/1069741443.db2.gz IVGWULQMVFGOKA-LJQANCHMSA-N 1 0 488.080 3.809 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@H](NC(C)=O)C2)C1 ZINC001307031364 1069741746 /nfs/dbraw/zinc/74/17/46/1069741746.db2.gz DIQMDNKLTRXEKI-XWGVYQGASA-N 1 0 482.673 3.872 20 0 JHADRO CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1OC ZINC001314187543 1069742361 /nfs/dbraw/zinc/74/23/61/1069742361.db2.gz BXRMHRWTNFTGOG-NRFANRHFSA-N 1 0 457.619 3.548 20 0 JHADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307032373 1069743773 /nfs/dbraw/zinc/74/37/73/1069743773.db2.gz RWADOFNPKJCNIA-KDURUIRLSA-N 1 0 457.619 3.698 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2Cc3ccccc3O[C@@H](C)C2)C1 ZINC001307033433 1069748042 /nfs/dbraw/zinc/74/80/42/1069748042.db2.gz OITFETKRTBCJNY-ACRUOGEOSA-N 1 0 457.619 3.522 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)C1 ZINC001307032633 1069744428 /nfs/dbraw/zinc/74/44/28/1069744428.db2.gz UWLPEQDXMMNHIJ-PMACEKPBSA-N 1 0 488.080 3.714 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 ZINC001307032539 1069744645 /nfs/dbraw/zinc/74/46/45/1069744645.db2.gz DHCCFKPUMCLWJZ-PKOBYXMFSA-N 1 0 477.556 3.668 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)C1 ZINC001307032639 1069744669 /nfs/dbraw/zinc/74/46/69/1069744669.db2.gz UWLPEQDXMMNHIJ-WOJBJXKFSA-N 1 0 488.080 3.714 20 0 JHADRO 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CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001307045280 1069781663 /nfs/dbraw/zinc/78/16/63/1069781663.db2.gz GVOMMTHJUYOGTH-UHFFFAOYSA-N 1 0 499.059 3.973 20 0 JHADRO CCCN(CC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[N@H+](CCC)C1 ZINC001307045392 1069782278 /nfs/dbraw/zinc/78/22/78/1069782278.db2.gz WHQPVZNDOBJDJQ-FCHUYYIVSA-N 1 0 490.693 3.945 20 0 JHADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)C1 ZINC001307045391 1069782317 /nfs/dbraw/zinc/78/23/17/1069782317.db2.gz WGZHADAYDZHHQO-UYAOXDASSA-N 1 0 471.646 3.669 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(F)(F)C3)n2C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC001314199038 1069786711 /nfs/dbraw/zinc/78/67/11/1069786711.db2.gz RADFVFWYFHTEFI-WOJBJXKFSA-N 1 0 492.615 3.688 20 0 JHADRO CCC[NH+]1CCC(Cn2c(N3CCC[C@H](C(F)F)C3)nnc2[C@@]2(OCC)CCOC2)CC1 ZINC001307047156 1069788279 /nfs/dbraw/zinc/78/82/79/1069788279.db2.gz QJSLANCQDZKTTD-WMZHIEFXSA-N 1 0 455.594 3.534 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001307047400 1069789032 /nfs/dbraw/zinc/78/90/32/1069789032.db2.gz ZHVGBQURQIHRES-WFXMLNOXSA-N 1 0 497.562 3.754 20 0 JHADRO CCC[N@@H+]1CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2C[C@@H](C)O[C@H](COC)C2)C1 ZINC001307047699 1069790656 /nfs/dbraw/zinc/79/06/56/1069790656.db2.gz YPYBSOHSRGGXKT-FSSWDIPSSA-N 1 0 473.687 3.851 20 0 JHADRO COC(=O)c1cnc([C@@H]2CCN(C(=O)NC3[C@@H](C)C[NH+](Cc4ccccc4)C[C@@H]3C)C2)s1 ZINC001312222861 1069791187 /nfs/dbraw/zinc/79/11/87/1069791187.db2.gz SGGSBVJXIHLBIF-JENIJYKNSA-N 1 0 456.612 3.585 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3c(F)cccc3F)n2Cc2cnn(CC)c2)CC1 ZINC001307047957 1069791956 /nfs/dbraw/zinc/79/19/56/1069791956.db2.gz GZHHGRLYWBMDRF-UHFFFAOYSA-N 1 0 457.573 3.722 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)CC)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC001307048692 1069794793 /nfs/dbraw/zinc/79/47/93/1069794793.db2.gz GAILOZXMIYJUES-LJQANCHMSA-N 1 0 461.676 3.695 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001307047990 1069792077 /nfs/dbraw/zinc/79/20/77/1069792077.db2.gz IXHKMTOBZRDWHC-UHFFFAOYSA-N 1 0 488.562 3.626 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2Cc2csc(COC)n2)CC1 ZINC001307048158 1069793237 /nfs/dbraw/zinc/79/32/37/1069793237.db2.gz OVPLPDDBACKCGD-UHFFFAOYSA-N 1 0 472.634 3.970 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CSc3ccccc32)CC1 ZINC001307048795 1069794532 /nfs/dbraw/zinc/79/45/32/1069794532.db2.gz GLVDTLQMACHNMI-SFHVURJKSA-N 1 0 456.660 3.616 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)CC)CC1 ZINC001307048722 1069794568 /nfs/dbraw/zinc/79/45/68/1069794568.db2.gz DXEJSCXIALOTIL-RUZDIDTESA-N 1 0 456.635 3.619 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C(=O)NC)CC1 ZINC001307049879 1069798699 /nfs/dbraw/zinc/79/86/99/1069798699.db2.gz NIRDASPPUUPUDB-SFHVURJKSA-N 1 0 474.625 3.640 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 ZINC001307049001 1069795999 /nfs/dbraw/zinc/79/59/99/1069795999.db2.gz GOCQWEYYOKFMNO-DFCKQENNSA-N 1 0 477.694 3.977 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(C)CCCO2)CC1 ZINC001307049099 1069796818 /nfs/dbraw/zinc/79/68/18/1069796818.db2.gz GBCIZTCZBMXQTE-VWLOTQADSA-N 1 0 457.619 3.842 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2CCc2cc3ccccc3o2)CC1 ZINC001307049482 1069797397 /nfs/dbraw/zinc/79/73/97/1069797397.db2.gz MLFUACVTDYBRJK-UHFFFAOYSA-N 1 0 452.603 3.716 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001307051038 1069802271 /nfs/dbraw/zinc/80/22/71/1069802271.db2.gz JMPITCISLOTZCT-OAQYLSRUSA-N 1 0 489.064 3.947 20 0 JHADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](CC)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001314202567 1069803069 /nfs/dbraw/zinc/80/30/69/1069803069.db2.gz MRQUISGUMCCTBO-RTWAWAEBSA-N 1 0 487.645 3.543 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001307051668 1069804902 /nfs/dbraw/zinc/80/49/02/1069804902.db2.gz RLDTYAXCNNZMDT-QFIPXVFZSA-N 1 0 456.610 3.989 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)CCC(C)C)CC1 ZINC001307051917 1069805766 /nfs/dbraw/zinc/80/57/66/1069805766.db2.gz OAGAERGVCHRZSG-RUZDIDTESA-N 1 0 474.650 3.504 20 0 JHADRO CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)c2ccccc2)CC1 ZINC001307052624 1069808058 /nfs/dbraw/zinc/80/80/58/1069808058.db2.gz AOMLMGZVWJJRML-DEOSSOPVSA-N 1 0 465.646 3.838 20 0 JHADRO COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C[C@H]1c1ccc(Cl)cc1 ZINC001312252151 1069810873 /nfs/dbraw/zinc/81/08/73/1069810873.db2.gz JAPFUBMPRGUHQZ-LMDOGRNLSA-N 1 0 455.986 3.901 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001307053209 1069811238 /nfs/dbraw/zinc/81/12/38/1069811238.db2.gz BHDABTXUIYNSII-QZTJIDSGSA-N 1 0 489.462 3.639 20 0 JHADRO C[C@H]1C[C@H](NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001312254871 1069813228 /nfs/dbraw/zinc/81/32/28/1069813228.db2.gz UTNLSUMSCZDROV-UWJYYQICSA-N 1 0 455.990 3.758 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001307054855 1069818449 /nfs/dbraw/zinc/81/84/49/1069818449.db2.gz NPTYRRMNDCKSGV-QWFCFKBJSA-N 1 0 475.037 3.648 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](COC)C1 ZINC001307053943 1069814305 /nfs/dbraw/zinc/81/43/05/1069814305.db2.gz GTSFITDHGRHJIB-FPOVZHCZSA-N 1 0 479.572 3.663 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001307054853 1069818498 /nfs/dbraw/zinc/81/84/98/1069818498.db2.gz NPTYRRMNDCKSGV-CMKODMSKSA-N 1 0 475.037 3.648 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(OC)C1 ZINC001307054816 1069817309 /nfs/dbraw/zinc/81/73/09/1069817309.db2.gz MVJUNDVHXGATAH-MRXNPFEDSA-N 1 0 451.413 3.525 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001307055116 1069820249 /nfs/dbraw/zinc/82/02/49/1069820249.db2.gz OSGNEGYFFGRVPP-LPHOPBHVSA-N 1 0 477.451 3.672 20 0 JHADRO CCOc1cccc(Cn2c(C(C)C)nnc2N2CC[C@H](N3CC[NH+](CC)CC3)C2)c1OC(F)F ZINC001314207299 1069820289 /nfs/dbraw/zinc/82/02/89/1069820289.db2.gz DMTHFXNOSYPPSP-FQEVSTJZSA-N 1 0 492.615 3.666 20 0 JHADRO CCOc1cccc(Cn2c(C(C)C)nnc2N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1OC(F)F ZINC001314207300 1069820583 /nfs/dbraw/zinc/82/05/83/1069820583.db2.gz DMTHFXNOSYPPSP-HXUWFJFHSA-N 1 0 492.615 3.666 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001307056110 1069825065 /nfs/dbraw/zinc/82/50/65/1069825065.db2.gz BWNIJLGONKLOFM-FYYLOGMGSA-N 1 0 468.646 3.820 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001307056150 1069825226 /nfs/dbraw/zinc/82/52/26/1069825226.db2.gz CFGDAFOSEOAOCZ-FPOVZHCZSA-N 1 0 480.078 3.735 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001307056021 1069825310 /nfs/dbraw/zinc/82/53/10/1069825310.db2.gz SIIIVJFWYYIGTL-RPWUZVMVSA-N 1 0 481.689 3.936 20 0 JHADRO CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC001312269219 1069825569 /nfs/dbraw/zinc/82/55/69/1069825569.db2.gz BTVKLRVFHYPHQI-RTBURBONSA-N 1 0 452.640 3.797 20 0 JHADRO CCOc1ccccc1C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001314209278 1069827070 /nfs/dbraw/zinc/82/70/70/1069827070.db2.gz TUVVIHSFKVLEHX-OAQYLSRUSA-N 1 0 484.689 3.913 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSCC1 ZINC001307057145 1069829352 /nfs/dbraw/zinc/82/93/52/1069829352.db2.gz WIDVJFBSPYUMIN-INIZCTEOSA-N 1 0 453.454 3.853 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307056832 1069830211 /nfs/dbraw/zinc/83/02/11/1069830211.db2.gz CJCAGKGTTUCJSQ-FGZHOGPDSA-N 1 0 491.677 3.676 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1F ZINC001307057384 1069833793 /nfs/dbraw/zinc/83/37/93/1069833793.db2.gz JIUOOMFUUAWCSO-RTWAWAEBSA-N 1 0 477.650 3.610 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001307057235 1069833513 /nfs/dbraw/zinc/83/35/13/1069833513.db2.gz XBSMWUZMYSIPFE-NCXUSEDFSA-N 1 0 461.573 3.901 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307057183 1069832230 /nfs/dbraw/zinc/83/22/30/1069832230.db2.gz HUEQTPUCOYAOGG-NJYVYQBISA-N 1 0 476.666 3.888 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001307057236 1069832910 /nfs/dbraw/zinc/83/29/10/1069832910.db2.gz XBSMWUZMYSIPFE-YDZRNGNQSA-N 1 0 461.573 3.901 20 0 JHADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCC(c2cccc(Br)c2)CC1 ZINC001312281622 1069835560 /nfs/dbraw/zinc/83/55/60/1069835560.db2.gz WYKROXRDFPOJJY-NHCUHLMSSA-N 1 0 450.421 3.716 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2)CC1 ZINC001307057784 1069835996 /nfs/dbraw/zinc/83/59/96/1069835996.db2.gz ZKQXSSWCAZHTGF-OFNKIYASSA-N 1 0 488.702 3.537 20 0 JHADRO CCOc1ccccc1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001314211914 1069836409 /nfs/dbraw/zinc/83/64/09/1069836409.db2.gz JTJBSHWNQDQNHH-NRFANRHFSA-N 1 0 455.647 3.667 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001307057944 1069836816 /nfs/dbraw/zinc/83/68/16/1069836816.db2.gz HGFPHRIZXCVMMZ-QFIPXVFZSA-N 1 0 472.703 3.890 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)OC ZINC001307057999 1069837332 /nfs/dbraw/zinc/83/73/32/1069837332.db2.gz KXWVGYAUHXDRGM-MOPGFXCFSA-N 1 0 450.628 3.655 20 0 JHADRO CCOc1cccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)[NH+]3CCC(C)CC3)CC2)n1 ZINC001314212216 1069837650 /nfs/dbraw/zinc/83/76/50/1069837650.db2.gz NAZCLUTYXGFRRJ-OAQYLSRUSA-N 1 0 469.678 3.816 20 0 JHADRO CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001314214217 1069842964 /nfs/dbraw/zinc/84/29/64/1069842964.db2.gz STXXXCGGJHMDNF-FYYLOGMGSA-N 1 0 454.663 3.843 20 0 JHADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)NCCOCc3ccc(Cl)cc3)CC2)cc1 ZINC001312306706 1069850401 /nfs/dbraw/zinc/85/04/01/1069850401.db2.gz UMMPQRVBYFTREK-UHFFFAOYSA-N 1 0 458.990 3.779 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CCC1CC[NH+](CC)CC1 ZINC001314217184 1069852866 /nfs/dbraw/zinc/85/28/66/1069852866.db2.gz NUKPPIAWLVUXLW-NHCUHLMSSA-N 1 0 471.646 3.991 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001307061668 1069854151 /nfs/dbraw/zinc/85/41/51/1069854151.db2.gz HFNZFNZVCUIWQH-LEWJYISDSA-N 1 0 455.651 3.526 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001307062505 1069857679 /nfs/dbraw/zinc/85/76/79/1069857679.db2.gz JTFXWJYSQLMKKO-SFTDATJTSA-N 1 0 469.634 3.628 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314218255 1069858301 /nfs/dbraw/zinc/85/83/01/1069858301.db2.gz UNHMBCRJYMIZET-NHCUHLMSSA-N 1 0 471.646 3.991 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 ZINC001307063166 1069862014 /nfs/dbraw/zinc/86/20/14/1069862014.db2.gz MULOPECINIPVJL-LJQANCHMSA-N 1 0 483.617 3.737 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001307064236 1069865136 /nfs/dbraw/zinc/86/51/36/1069865136.db2.gz BAMXHJHZRQGNBT-YTFSRNRJSA-N 1 0 488.721 3.766 20 0 JHADRO CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001314220131 1069865525 /nfs/dbraw/zinc/86/55/25/1069865525.db2.gz XTFFUCKKVUVDPV-UHFFFAOYSA-N 1 0 468.690 3.918 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCO[C@H](C)C1 ZINC001307064625 1069867391 /nfs/dbraw/zinc/86/73/91/1069867391.db2.gz DJIMNWYVJAFCIE-CZYKHXBRSA-N 1 0 490.693 3.929 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1=O ZINC001307064597 1069867717 /nfs/dbraw/zinc/86/77/17/1069867717.db2.gz GWGLKWGJTPNQDG-QFIPXVFZSA-N 1 0 484.645 3.821 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+](C)C(C)C)CC1=O ZINC001307064921 1069868175 /nfs/dbraw/zinc/86/81/75/1069868175.db2.gz VEKKPBUOGWNZPR-UHFFFAOYSA-N 1 0 465.017 3.917 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC(C)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001314220750 1069868440 /nfs/dbraw/zinc/86/84/40/1069868440.db2.gz PNASPYFEMNKSKX-JOCHJYFZSA-N 1 0 471.646 3.849 20 0 JHADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001312337547 1069872122 /nfs/dbraw/zinc/87/21/22/1069872122.db2.gz SNRRFGIGLDRZLB-XQBPLPMBSA-N 1 0 459.635 3.942 20 0 JHADRO CCCN1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC001307065291 1069870381 /nfs/dbraw/zinc/87/03/81/1069870381.db2.gz MHXSYDLVDPUCRS-QFIPXVFZSA-N 1 0 488.627 3.716 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001307066707 1069875456 /nfs/dbraw/zinc/87/54/56/1069875456.db2.gz JSBVFWCLAWKOPO-NHCUHLMSSA-N 1 0 478.682 3.772 20 0 JHADRO CCCN1CCCN(c2nnc(-c3ccccc3Cl)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1=O ZINC001307066457 1069875518 /nfs/dbraw/zinc/87/55/18/1069875518.db2.gz OSMOZYUEZPQVIB-HXUWFJFHSA-N 1 0 489.064 3.548 20 0 JHADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001312337544 1069872713 /nfs/dbraw/zinc/87/27/13/1069872713.db2.gz SNRRFGIGLDRZLB-KNKQGSTJSA-N 1 0 459.635 3.942 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC)C1 ZINC001307067968 1069879531 /nfs/dbraw/zinc/87/95/31/1069879531.db2.gz MYFRUBTXXPSLEI-IFMALSPDSA-N 1 0 478.037 3.627 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC(=O)N(C)C1CCCCC1 ZINC001314224353 1069885230 /nfs/dbraw/zinc/88/52/30/1069885230.db2.gz BALQFZVQBHSLOW-OAQYLSRUSA-N 1 0 498.672 3.577 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC(C)(C)C[NH+](C)C ZINC001314224810 1069886990 /nfs/dbraw/zinc/88/69/90/1069886990.db2.gz HKVROQWGVRPZDX-IBGZPJMESA-N 1 0 485.551 3.611 20 0 JHADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Nc2ccn(C)n2)nnc1-c1cc(OC)c(OC)c(OC)c1 ZINC001307070190 1069884900 /nfs/dbraw/zinc/88/49/00/1069884900.db2.gz YTYPTJJFJFDRPK-SFHVURJKSA-N 1 0 469.590 3.713 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCc1cccnc1 ZINC001314225867 1069892648 /nfs/dbraw/zinc/89/26/48/1069892648.db2.gz BMCCGLLJDHQNDY-UHFFFAOYSA-N 1 0 464.614 3.814 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001314226854 1069899087 /nfs/dbraw/zinc/89/90/87/1069899087.db2.gz IVOLAWFPRXJPSM-GGAORHGYSA-N 1 0 498.672 3.577 20 0 JHADRO CCN(C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001312391150 1069904259 /nfs/dbraw/zinc/90/42/59/1069904259.db2.gz GHZSFSZASUQQKE-UGKGYDQZSA-N 1 0 458.965 3.890 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCCO[C@@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001314228262 1069906170 /nfs/dbraw/zinc/90/61/70/1069906170.db2.gz WVSOPCKSWCIZPW-VXKWHMMOSA-N 1 0 471.646 3.991 20 0 JHADRO CCOc1ccccc1OCc1nnc(N2CCOC[C@@H]2C)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001314229794 1069914142 /nfs/dbraw/zinc/91/41/42/1069914142.db2.gz XIOQJOPUZJHOPX-LEWJYISDSA-N 1 0 457.619 3.745 20 0 JHADRO Cc1cccc2c1OC[C@@H](NC(=O)NCCc1ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc1)C2 ZINC001312406303 1069914118 /nfs/dbraw/zinc/91/41/18/1069914118.db2.gz VYSXTNJFHXWRQH-IMSXRSKXSA-N 1 0 451.611 3.807 20 0 JHADRO C[N@@H+]1CC[C@@H](CNC(=O)N2CCn3cnc(C(F)(F)F)c3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312410639 1069916125 /nfs/dbraw/zinc/91/61/25/1069916125.db2.gz CAOXCEPCYVCJMS-SUMWQHHRSA-N 1 0 459.875 3.913 20 0 JHADRO Cc1cccc(-n2c(SCC(=O)NCCC[NH+](C)C)nc3cc(Cl)ccc3c2=O)c1C ZINC001307260673 1069917793 /nfs/dbraw/zinc/91/77/93/1069917793.db2.gz KEBXJNAYAVLMQZ-UHFFFAOYSA-N 1 0 459.015 3.816 20 0 JHADRO 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COc1ccc(CCC[N@H+](C)C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)cc1 ZINC001307426434 1069978491 /nfs/dbraw/zinc/97/84/91/1069978491.db2.gz JMFPZGUTYNRURZ-QFIPXVFZSA-N 1 0 450.501 3.740 20 0 JHADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001307428653 1069980678 /nfs/dbraw/zinc/98/06/78/1069980678.db2.gz BCVHVZBVGZCGIX-HNNXBMFYSA-N 1 0 451.917 3.571 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@H]([NH+]2CCC(NC(=O)c3ccsc3)CC2)[C@@H](O)c2ccccc21 ZINC001307429352 1069981276 /nfs/dbraw/zinc/98/12/76/1069981276.db2.gz WDOJNHAIUWRPAZ-SFTDATJTSA-N 1 0 457.596 3.800 20 0 JHADRO Cc1cccc(Cl)c1NC(=O)[C@@H](C)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001307439366 1069984761 /nfs/dbraw/zinc/98/47/61/1069984761.db2.gz XBKRVNITXSYFBD-RTWAWAEBSA-N 1 0 456.034 3.905 20 0 JHADRO O=C(OCc1ccccc1)N1CCC[C@](O)(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)C1 ZINC001307441655 1069985579 /nfs/dbraw/zinc/98/55/79/1069985579.db2.gz INJWWQFURKWWBD-AHWVRZQESA-N 1 0 456.558 3.970 20 0 JHADRO COCCc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC001307454284 1069994522 /nfs/dbraw/zinc/99/45/22/1069994522.db2.gz PASDTVWVCKZZOI-YKSBVNFPSA-N 1 0 458.986 3.717 20 0 JHADRO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@@H+]3CCC[C@@H]4CCC[C@H]43)C2=O)cc1 ZINC001307480964 1070008916 /nfs/dbraw/zinc/00/89/16/1070008916.db2.gz WYXRIHLEBXKBDH-RZYZOOPGSA-N 1 0 457.596 3.502 20 0 JHADRO Cc1cccc(C)c1OC[C@H](O)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001312553368 1070009767 /nfs/dbraw/zinc/00/97/67/1070009767.db2.gz SLXPATSNBZNEOK-UXHICEINSA-N 1 0 453.505 3.664 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001314266078 1070015421 /nfs/dbraw/zinc/01/54/21/1070015421.db2.gz SHQRYHLBJQSQEC-KNQAVFIVSA-N 1 0 461.054 3.630 20 0 JHADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001307491966 1070015805 /nfs/dbraw/zinc/01/58/05/1070015805.db2.gz XROBVIWJMHCYON-IBGZPJMESA-N 1 0 458.430 3.624 20 0 JHADRO 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CCO[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001314270840 1070024627 /nfs/dbraw/zinc/02/46/27/1070024627.db2.gz KHUQNNUBOBMNDX-QFIPXVFZSA-N 1 0 485.032 3.988 20 0 JHADRO CCO[C@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](CC)C2CC2)C1 ZINC001314270997 1070025309 /nfs/dbraw/zinc/02/53/09/1070025309.db2.gz CGAXHHBRKRVRBC-IRLDBZIGSA-N 1 0 490.693 3.882 20 0 JHADRO CCO[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001314271066 1070025893 /nfs/dbraw/zinc/02/58/93/1070025893.db2.gz DBHOPOSTWHHZFY-WIYYLYMNSA-N 1 0 458.010 3.640 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001314272287 1070027424 /nfs/dbraw/zinc/02/74/24/1070027424.db2.gz TXMFIUMVRLVRSI-FPOVZHCZSA-N 1 0 469.586 3.864 20 0 JHADRO COc1cc(C)c([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)cc1OC ZINC001307522353 1070031800 /nfs/dbraw/zinc/03/18/00/1070031800.db2.gz UJRGUCJZEKZGQG-KRWDZBQOSA-N 1 0 451.608 3.672 20 0 JHADRO CCO[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001314276671 1070035328 /nfs/dbraw/zinc/03/53/28/1070035328.db2.gz RJRDZBVTJOWSDP-ZEQRLZLVSA-N 1 0 455.647 3.539 20 0 JHADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1OC ZINC001307530142 1070037772 /nfs/dbraw/zinc/03/77/72/1070037772.db2.gz AJFWLECCLOJEET-KRWDZBQOSA-N 1 0 457.546 3.541 20 0 JHADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)N[C@H]3CCc4cc(O)ccc4C3)CC2)c1C ZINC001312610891 1070043632 /nfs/dbraw/zinc/04/36/32/1070043632.db2.gz ZPGANNNNSIJKQF-NRFANRHFSA-N 1 0 452.599 3.576 20 0 JHADRO CC(C)(C)OC(=O)N1CCC2(CN(C(=O)NC[C@]3(C)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001312616151 1070046774 /nfs/dbraw/zinc/04/67/74/1070046774.db2.gz WKWARNVLJISTOJ-VWLOTQADSA-N 1 0 456.631 3.941 20 0 JHADRO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC001307549396 1070047714 /nfs/dbraw/zinc/04/77/14/1070047714.db2.gz AQQQXXIUONTMGT-GOSISDBHSA-N 1 0 450.023 3.727 20 0 JHADRO C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC001307551115 1070048257 /nfs/dbraw/zinc/04/82/57/1070048257.db2.gz DRCYJTDWOFCUBH-FDDCHVKYSA-N 1 0 454.633 3.922 20 0 JHADRO COCCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC001307555022 1070049541 /nfs/dbraw/zinc/04/95/41/1070049541.db2.gz KOMGUYCSTRUNOA-UNMCSNQZSA-N 1 0 455.530 3.684 20 0 JHADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC001312630749 1070053347 /nfs/dbraw/zinc/05/33/47/1070053347.db2.gz XOSNGWHXPWLVET-MDZRGWNJSA-N 1 0 455.384 3.881 20 0 JHADRO CC1CC[NH+](Cc2ccccc2CNC(=O)NC2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC001312646494 1070061053 /nfs/dbraw/zinc/06/10/53/1070061053.db2.gz PHOJIEHBNAJJDM-UHFFFAOYSA-N 1 0 450.583 3.739 20 0 JHADRO CC(C)CCNC(=O)C1CCN(C(=O)C[NH2+]C(C)(C)c2ccc(Br)cc2)CC1 ZINC001307571904 1070058251 /nfs/dbraw/zinc/05/82/51/1070058251.db2.gz QJTHEMHXVVTFMA-UHFFFAOYSA-N 1 0 452.437 3.675 20 0 JHADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@H]2CCCC[C@H]12 ZINC001307572661 1070058903 /nfs/dbraw/zinc/05/89/03/1070058903.db2.gz BBTDCDOTEDNRFC-IQUZMVKNSA-N 1 0 456.052 3.671 20 0 JHADRO CC(C)(CNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)C[NH+]1CCCC1 ZINC001312644281 1070058975 /nfs/dbraw/zinc/05/89/75/1070058975.db2.gz MFKZWDQBMSQBDV-UHFFFAOYSA-N 1 0 455.416 3.537 20 0 JHADRO CCOCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001314286251 1070059167 /nfs/dbraw/zinc/05/91/67/1070059167.db2.gz RYEUZAOBBYWRLS-UHFFFAOYSA-N 1 0 472.678 3.904 20 0 JHADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC001307591939 1070070116 /nfs/dbraw/zinc/07/01/16/1070070116.db2.gz HXLPNPDFHVCHID-OAQYLSRUSA-N 1 0 450.992 3.550 20 0 JHADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC001307599766 1070073861 /nfs/dbraw/zinc/07/38/61/1070073861.db2.gz SYSCCMUYIBAUFX-UHFFFAOYSA-N 1 0 455.546 3.580 20 0 JHADRO CCOCc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001314293393 1070075006 /nfs/dbraw/zinc/07/50/06/1070075006.db2.gz OIQLTCQELXUHEB-GOSISDBHSA-N 1 0 454.644 3.749 20 0 JHADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC001312679487 1070078823 /nfs/dbraw/zinc/07/88/23/1070078823.db2.gz ZAPUCQGDKCXSQA-UFGBVDADSA-N 1 0 478.634 3.813 20 0 JHADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@](C)(CO)Cc1ccc(Br)cc1)c1ccco1 ZINC001312681068 1070079710 /nfs/dbraw/zinc/07/97/10/1070079710.db2.gz UPGYVJZAKYDTRT-KLHJMIIUSA-N 1 0 452.393 3.764 20 0 JHADRO C[C@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001307621082 1070084309 /nfs/dbraw/zinc/08/43/09/1070084309.db2.gz ORBPLATWPNFLRQ-KRWDZBQOSA-N 1 0 456.539 3.989 20 0 JHADRO COC(=O)C(C)(C)[C@@H]([NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1)c1ccccc1 ZINC001307616319 1070083097 /nfs/dbraw/zinc/08/30/97/1070083097.db2.gz FWGBIHVMKZQEAU-BKMJKUGQSA-N 1 0 454.567 3.680 20 0 JHADRO CCOCc1nnc(N(C)CC(=O)Nc2c(C)cccc2C)n1CC1([NH+](C)C)CCCCC1 ZINC001314299868 1070083726 /nfs/dbraw/zinc/08/37/26/1070083726.db2.gz ZHMNERMNQGJDGO-UHFFFAOYSA-N 1 0 456.635 3.771 20 0 JHADRO CCOCc1nnc(N(C)Cc2cc3ccccc3[nH]2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314301323 1070085286 /nfs/dbraw/zinc/08/52/86/1070085286.db2.gz SLEHQXZPHVRZQK-KDURUIRLSA-N 1 0 454.619 3.820 20 0 JHADRO Cc1ccc(S(=O)(=O)NC[C@H]([NH2+]C[C@@H]2COC3(CCCCC3)O2)c2ccccc2)c(C)c1 ZINC001307626357 1070087553 /nfs/dbraw/zinc/08/75/53/1070087553.db2.gz JGRBZASXFPCCLB-PKTZIBPZSA-N 1 0 458.624 3.988 20 0 JHADRO CCOCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@@](C)(O)c1ccco1 ZINC001314303493 1070089259 /nfs/dbraw/zinc/08/92/59/1070089259.db2.gz RNJRZWDDAUMMMQ-UNIVCBNLSA-N 1 0 467.614 3.805 20 0 JHADRO COC(=O)CC[N@@H+]1CCN(Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC001307630436 1070089407 /nfs/dbraw/zinc/08/94/07/1070089407.db2.gz UDLUXCLEJPDARQ-HNNXBMFYSA-N 1 0 450.992 3.550 20 0 JHADRO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)[NH+](C)C)cc1 ZINC001312711084 1070089819 /nfs/dbraw/zinc/08/98/19/1070089819.db2.gz VLQPYOKCVFFKQR-LDVJMBRRSA-N 1 0 457.619 3.770 20 0 JHADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC001307637813 1070093881 /nfs/dbraw/zinc/09/38/81/1070093881.db2.gz UUDCYLFSAZWCDL-QGZVFWFLSA-N 1 0 458.868 3.948 20 0 JHADRO CCOCc1nnc(N(C)Cc2ccc(Br)o2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314305314 1070091757 /nfs/dbraw/zinc/09/17/57/1070091757.db2.gz VGDBAZWIGNHXFQ-INIZCTEOSA-N 1 0 454.413 3.927 20 0 JHADRO CCOCc1nnc(N(C)Cc2ccccc2N2CCOCC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314306012 1070093066 /nfs/dbraw/zinc/09/30/66/1070093066.db2.gz BYWMAMTXFGNXBT-UHFFFAOYSA-N 1 0 470.662 3.552 20 0 JHADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC001307639049 1070094593 /nfs/dbraw/zinc/09/45/93/1070094593.db2.gz XDEAVADMPLFTHR-HRAATJIYSA-N 1 0 450.004 3.827 20 0 JHADRO COC(=O)C1(NC(=O)C[NH2+][C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CCCCC1 ZINC001307640053 1070096342 /nfs/dbraw/zinc/09/63/42/1070096342.db2.gz LNBMVDMHDTUQAU-HSZRJFAPSA-N 1 0 454.567 3.569 20 0 JHADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001312738357 1070099137 /nfs/dbraw/zinc/09/91/37/1070099137.db2.gz AJYAWMNFKUXUGY-BDTNDASRSA-N 1 0 466.667 3.601 20 0 JHADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccccc2C(=O)NCC(C)C)cnn1-c1ccc(F)cc1 ZINC001307641118 1070097162 /nfs/dbraw/zinc/09/71/62/1070097162.db2.gz DOXAMFQDHXWLQX-KRWDZBQOSA-N 1 0 451.546 3.995 20 0 JHADRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc(N2CCCC2=O)c1 ZINC001307642229 1070097640 /nfs/dbraw/zinc/09/76/40/1070097640.db2.gz LORUCMPDOJMAKK-OAHLLOKOSA-N 1 0 454.596 3.532 20 0 JHADRO CCOCc1nnc(N(CC)C[C@@H]2COc3ccccc3O2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314316266 1070101560 /nfs/dbraw/zinc/10/15/60/1070101560.db2.gz UHDQRJFPNYOCEY-NHCUHLMSSA-N 1 0 457.619 3.601 20 0 JHADRO O=C(Nc1ccccc1O)C1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC001307652434 1070102581 /nfs/dbraw/zinc/10/25/81/1070102581.db2.gz VQIACSLRKKHJMI-IBGZPJMESA-N 1 0 458.356 3.759 20 0 JHADRO CSc1ccc([C@@H](CNC(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)[NH+](C)C)cc1 ZINC001312755507 1070105100 /nfs/dbraw/zinc/10/51/00/1070105100.db2.gz OUSAHKPALVULAC-MGPUTAFESA-N 1 0 455.546 3.579 20 0 JHADRO C[NH+](C)[C@H](CNC(=O)CN1CCc2c(Br)ccc(Cl)c2C1)c1ccccc1 ZINC001307656972 1070106342 /nfs/dbraw/zinc/10/63/42/1070106342.db2.gz XUMYVKVVSAENTO-HXUWFJFHSA-N 1 0 450.808 3.880 20 0 JHADRO CCOCc1nnc(N2CC=C(C(F)(F)F)CC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001314321667 1070107280 /nfs/dbraw/zinc/10/72/80/1070107280.db2.gz OHIMANIEKZVVCZ-UHFFFAOYSA-N 1 0 453.509 3.502 20 0 JHADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001312758302 1070107632 /nfs/dbraw/zinc/10/76/32/1070107632.db2.gz UQXWDXKNUCLDNU-YKSBVNFPSA-N 1 0 454.590 3.960 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001314325191 1070111794 /nfs/dbraw/zinc/11/17/94/1070111794.db2.gz KGKCGSDJLOUWJB-UHFFFAOYSA-N 1 0 457.594 3.927 20 0 JHADRO C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC001312769999 1070113693 /nfs/dbraw/zinc/11/36/93/1070113693.db2.gz YKYJVRIQBIUYLU-HXUWFJFHSA-N 1 0 458.603 3.628 20 0 JHADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC001312771793 1070113819 /nfs/dbraw/zinc/11/38/19/1070113819.db2.gz YYNBJJLQZNKDIH-HXUWFJFHSA-N 1 0 450.421 3.826 20 0 JHADRO C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307671514 1070115421 /nfs/dbraw/zinc/11/54/21/1070115421.db2.gz XJTZWTSZMMMZHP-FTRWYGJKSA-N 1 0 452.521 3.535 20 0 JHADRO CCOCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001314328267 1070116762 /nfs/dbraw/zinc/11/67/62/1070116762.db2.gz RSKXWPRZHSHOIL-ZYSHUDEJSA-N 1 0 466.399 3.961 20 0 JHADRO Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(CN3CC[C@H](C[NH+](C)C)C3)nc(=O)c12 ZINC001307675445 1070118873 /nfs/dbraw/zinc/11/88/73/1070118873.db2.gz RQPAHSRJTJTPFA-QGZVFWFLSA-N 1 0 453.612 3.546 20 0 JHADRO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC001307682403 1070122781 /nfs/dbraw/zinc/12/27/81/1070122781.db2.gz CXWXQJRYAIOSAR-RXVVDRJESA-N 1 0 451.633 3.709 20 0 JHADRO CCOCc1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001314331447 1070123890 /nfs/dbraw/zinc/12/38/90/1070123890.db2.gz YRAXMVOFQINFFY-UHFFFAOYSA-N 1 0 468.646 3.792 20 0 JHADRO COc1ccc([C@@H](CNC(=O)C[NH2+][C@@](C)(CO)c2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC001307691052 1070128342 /nfs/dbraw/zinc/12/83/42/1070128342.db2.gz BEHDXWQDIPRKIO-YWEHKCAJSA-N 1 0 457.574 3.922 20 0 JHADRO C[NH+](C)CCCOc1cnccc1CNC(=O)N1CC(Cc2ccccc2C(F)(F)F)C1 ZINC001312799156 1070129077 /nfs/dbraw/zinc/12/90/77/1070129077.db2.gz SCYCQDPKYJZDKP-UHFFFAOYSA-N 1 0 450.505 3.815 20 0 JHADRO CSC1(CNC(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)CC[NH+](C)CC1 ZINC001312800408 1070129860 /nfs/dbraw/zinc/12/98/60/1070129860.db2.gz VRINEUINECSDEU-AREMUKBSSA-N 1 0 453.652 3.860 20 0 JHADRO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN(C)C(C)(C)C[NH+]1CCCCCC1 ZINC001307700869 1070135144 /nfs/dbraw/zinc/13/51/44/1070135144.db2.gz QUYXLLXJMLQMQR-UHFFFAOYSA-N 1 0 451.633 3.961 20 0 JHADRO CCOCc1nnc(N2CCC(c3ccnn3C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314337468 1070133305 /nfs/dbraw/zinc/13/33/05/1070133305.db2.gz CTPWALMFTSVDSQ-WOJBJXKFSA-N 1 0 457.667 3.689 20 0 JHADRO CCOCc1nnc(N2CCC(c3ccnn3C)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314337731 1070133915 /nfs/dbraw/zinc/13/39/15/1070133915.db2.gz FOSKGBVHGNAJCN-OYRHEFFESA-N 1 0 457.667 3.690 20 0 JHADRO CC[C@@H](C[N@H+](CC)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccccc1 ZINC001307702348 1070135748 /nfs/dbraw/zinc/13/57/48/1070135748.db2.gz INRBOQBHIFZRKO-IBGZPJMESA-N 1 0 456.612 3.611 20 0 JHADRO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC2)ccc1Br ZINC001307703915 1070136065 /nfs/dbraw/zinc/13/60/65/1070136065.db2.gz CEVHQHUETOHFLG-LBPRGKRZSA-N 1 0 450.299 3.714 20 0 JHADRO CC(=O)N(c1nc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cs1)c1cccc(C(F)(F)F)c1 ZINC001307705080 1070136893 /nfs/dbraw/zinc/13/68/93/1070136893.db2.gz OZSOIVHTQFAELG-LSDHHAIUSA-N 1 0 456.534 3.733 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@@H](C)C1 ZINC001307707963 1070137683 /nfs/dbraw/zinc/13/76/83/1070137683.db2.gz RHYCBKURIALTLY-NYVOZVTQSA-N 1 0 455.565 3.923 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@@H](C)C1 ZINC001307707964 1070138043 /nfs/dbraw/zinc/13/80/43/1070138043.db2.gz RHYCBKURIALTLY-YUXAGFNASA-N 1 0 455.565 3.923 20 0 JHADRO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[NH2+][C@@H]3CC[C@H](C)C[C@@H]3C)C2=O)cc1 ZINC001307708616 1070138092 /nfs/dbraw/zinc/13/80/92/1070138092.db2.gz NDIALPSXKKWVKA-OPCWJPGGSA-N 1 0 459.612 3.652 20 0 JHADRO CCOCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001314340682 1070138592 /nfs/dbraw/zinc/13/85/92/1070138592.db2.gz CHCYZGUVGZTWRB-NHCUHLMSSA-N 1 0 478.682 3.772 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001314340683 1070138651 /nfs/dbraw/zinc/13/86/51/1070138651.db2.gz CHCYZGUVGZTWRB-RTWAWAEBSA-N 1 0 478.682 3.772 20 0 JHADRO CCOC(=O)[C@]1(COC)CCC[N@H+](CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC001307712438 1070139472 /nfs/dbraw/zinc/13/94/72/1070139472.db2.gz KSKGISCSHULAPJ-AZGAKELHSA-N 1 0 456.558 3.665 20 0 JHADRO CCOCc1nnc(N2CCC(CCCO)CC2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001314341452 1070141038 /nfs/dbraw/zinc/14/10/38/1070141038.db2.gz HNOCNMBZXYYJJD-OFNKIYASSA-N 1 0 461.676 3.948 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)C(C)(C)C ZINC001307718926 1070144374 /nfs/dbraw/zinc/14/43/74/1070144374.db2.gz FGCAUHRAXFIGLY-XFAGBWLFSA-N 1 0 455.640 3.932 20 0 JHADRO COc1ccc(OC)c2c1CN(C(=O)NC[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)C[C@H]2O ZINC001312825338 1070144817 /nfs/dbraw/zinc/14/48/17/1070144817.db2.gz VXAMUBHJUPGGFT-RBBKRZOGSA-N 1 0 453.583 3.565 20 0 JHADRO CCOCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H](C)Oc1ccc(C)cc1 ZINC001314343028 1070145724 /nfs/dbraw/zinc/14/57/24/1070145724.db2.gz QOHNCUGWVBPHIO-XPWALMASSA-N 1 0 485.673 3.916 20 0 JHADRO CCOCc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001314343142 1070145781 /nfs/dbraw/zinc/14/57/81/1070145781.db2.gz VGMZXFWRJFSSNJ-IBGZPJMESA-N 1 0 482.551 3.511 20 0 JHADRO Cc1cccc(OC[C@H](O)CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001312841081 1070150390 /nfs/dbraw/zinc/15/03/90/1070150390.db2.gz YZHPKDXXFLUHBX-FXVJXKIMSA-N 1 0 477.580 3.841 20 0 JHADRO COC(=O)/C=C\c1ccc(OCC[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)cc1 ZINC001307730315 1070154004 /nfs/dbraw/zinc/15/40/04/1070154004.db2.gz OCROYRNDMJJQAS-XFXZXTDPSA-N 1 0 452.551 3.890 20 0 JHADRO COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC001307731752 1070154838 /nfs/dbraw/zinc/15/48/38/1070154838.db2.gz MHLMLWIBHYYCRU-HXUWFJFHSA-N 1 0 455.521 3.529 20 0 JHADRO C[C@@](O)(C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1)c1ccc(Br)cc1Cl ZINC001307733846 1070156718 /nfs/dbraw/zinc/15/67/18/1070156718.db2.gz XZHSEEHJYYUOSJ-MRXNPFEDSA-N 1 0 457.718 3.701 20 0 JHADRO CCOCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314348342 1070157705 /nfs/dbraw/zinc/15/77/05/1070157705.db2.gz AICFOMRIGMXYAC-UFYCRDLUSA-N 1 0 478.682 3.675 20 0 JHADRO C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001312863572 1070159113 /nfs/dbraw/zinc/15/91/13/1070159113.db2.gz WZRDAXCMKKKVFS-HSZRJFAPSA-N 1 0 450.627 3.756 20 0 JHADRO C[C@H](NC(=O)CNC(=O)C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1)c1ccc(F)cc1 ZINC001307744590 1070162701 /nfs/dbraw/zinc/16/27/01/1070162701.db2.gz BZWJALUAUCQHHG-ROUUACIJSA-N 1 0 450.514 3.657 20 0 JHADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001307748281 1070163831 /nfs/dbraw/zinc/16/38/31/1070163831.db2.gz GAIUTKDQNNDZAA-FQEVSTJZSA-N 1 0 458.603 3.911 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001312883554 1070165450 /nfs/dbraw/zinc/16/54/50/1070165450.db2.gz BEYKGHGFUXWGQA-BAGYTPMASA-N 1 0 465.516 3.575 20 0 JHADRO COCC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1cccc(C(F)(F)F)c1 ZINC001307769871 1070176154 /nfs/dbraw/zinc/17/61/54/1070176154.db2.gz KJDCUUMKDMILAJ-HNNXBMFYSA-N 1 0 455.502 3.660 20 0 JHADRO CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307772798 1070177169 /nfs/dbraw/zinc/17/71/69/1070177169.db2.gz IKLDHQLLNNWNCK-RTBURBONSA-N 1 0 459.587 3.771 20 0 JHADRO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC001307787005 1070182037 /nfs/dbraw/zinc/18/20/37/1070182037.db2.gz PEPKCQHEWKMFFB-AEFFLSMTSA-N 1 0 454.352 3.819 20 0 JHADRO O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001312932461 1070186323 /nfs/dbraw/zinc/18/63/23/1070186323.db2.gz SOTIQJATOJKPRO-GOSISDBHSA-N 1 0 455.521 3.761 20 0 JHADRO C[C@](O)(C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC001307799562 1070187084 /nfs/dbraw/zinc/18/70/84/1070187084.db2.gz MGHJVJFTPALHDC-FPOVZHCZSA-N 1 0 452.414 3.973 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001314363323 1070188935 /nfs/dbraw/zinc/18/89/35/1070188935.db2.gz DCJCDUBFGWINHD-QUCCMNQESA-N 1 0 478.588 3.950 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@@H+]2CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC001307805537 1070191444 /nfs/dbraw/zinc/19/14/44/1070191444.db2.gz XGWCJMZMKQFAME-GHTZIAJQSA-N 1 0 452.617 3.580 20 0 JHADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001307810271 1070193394 /nfs/dbraw/zinc/19/33/94/1070193394.db2.gz ASZHSDQWHABYQP-KSFYIVLOSA-N 1 0 454.464 3.829 20 0 JHADRO CCOCc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001314366337 1070198177 /nfs/dbraw/zinc/19/81/77/1070198177.db2.gz ULZGUMBCYSEFHA-ZRCGQRJVSA-N 1 0 488.702 3.700 20 0 JHADRO COc1ccc(CN2CCN(C(=O)C[N@H+](C)[C@H]3C[C@H](Oc4ccccc4)C3(C)C)CC2)cc1 ZINC001307820520 1070200128 /nfs/dbraw/zinc/20/01/28/1070200128.db2.gz LCTPANHOLJYIMN-DQEYMECFSA-N 1 0 451.611 3.517 20 0 JHADRO COc1ccc(CN2CCN(C(=O)C[N@H+](C)[C@@H]3C[C@@H](Oc4ccccc4)C3(C)C)CC2)cc1 ZINC001307820521 1070200423 /nfs/dbraw/zinc/20/04/23/1070200423.db2.gz LCTPANHOLJYIMN-JWQCQUIFSA-N 1 0 451.611 3.517 20 0 JHADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC001307824164 1070200973 /nfs/dbraw/zinc/20/09/73/1070200973.db2.gz UKBMSMMTSCWTBO-RTBURBONSA-N 1 0 454.409 3.989 20 0 JHADRO CCN1C[C@H](CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)[NH+](C)C)CC1=O ZINC001312967846 1070203815 /nfs/dbraw/zinc/20/38/15/1070203815.db2.gz YBSOJMPBTMCADJ-FXAWDEMLSA-N 1 0 457.446 3.960 20 0 JHADRO CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC(F)(F)Br ZINC001314368554 1070203210 /nfs/dbraw/zinc/20/32/10/1070203210.db2.gz WKVPMLMXYBCGRF-INIZCTEOSA-N 1 0 464.399 3.895 20 0 JHADRO COc1ccc([C@@H](O)C[N@H+](CCN2C(=O)c3ccccc3C2=O)[C@@H](C)Cc2ccccc2)cc1 ZINC001307843280 1070208739 /nfs/dbraw/zinc/20/87/39/1070208739.db2.gz LRWOTIVHBDKVDS-FNZWTVRRSA-N 1 0 458.558 3.958 20 0 JHADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001312988390 1070210315 /nfs/dbraw/zinc/21/03/15/1070210315.db2.gz NTTZVWMPBBDWBP-DUXKGJEZSA-N 1 0 450.599 3.947 20 0 JHADRO COC1([C@@H](C)[NH2+]CC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)CCOCC1 ZINC001307849539 1070210374 /nfs/dbraw/zinc/21/03/74/1070210374.db2.gz JLRNDKLOMBOMGI-QGZVFWFLSA-N 1 0 456.608 3.970 20 0 JHADRO CCN(C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001312989226 1070211972 /nfs/dbraw/zinc/21/19/72/1070211972.db2.gz XBXCIGBLIDJDRV-KJXAQDMKSA-N 1 0 450.583 3.668 20 0 JHADRO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307859014 1070213040 /nfs/dbraw/zinc/21/30/40/1070213040.db2.gz NOBZRKIDPQUJET-GUDVDZBRSA-N 1 0 454.615 3.924 20 0 JHADRO COC(=O)[C@@H]1C[N@H+](CCCN(C)C(=O)OC(C)(C)C)C[C@H]1c1ccc(Br)cc1 ZINC001307860823 1070214679 /nfs/dbraw/zinc/21/46/79/1070214679.db2.gz OQXCEPAGMRGVFX-ZWKOTPCHSA-N 1 0 455.393 3.895 20 0 JHADRO O=C(CC[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1)NC(=O)NCC(F)(F)F ZINC001307862656 1070215350 /nfs/dbraw/zinc/21/53/50/1070215350.db2.gz BWQIFLALSUZYPC-HNNXBMFYSA-N 1 0 450.299 3.624 20 0 JHADRO CC(C)(C)OC(=O)[C@@H]1C[N@@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)C[C@H]1c1ccccc1 ZINC001307877099 1070219939 /nfs/dbraw/zinc/21/99/39/1070219939.db2.gz LBQACARRKDYYDS-KKPNIWNPSA-N 1 0 460.615 3.804 20 0 JHADRO CCOCc1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001314379389 1070222343 /nfs/dbraw/zinc/22/23/43/1070222343.db2.gz UVDBYOACPLFHRR-UHFFFAOYSA-N 1 0 452.603 3.861 20 0 JHADRO CCOCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001314377276 1070218759 /nfs/dbraw/zinc/21/87/59/1070218759.db2.gz DAGDTGZBSZRVGC-FQEVSTJZSA-N 1 0 498.569 3.550 20 0 JHADRO O=C(N1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC12CCCCC2)C(F)(F)F ZINC001307886892 1070226231 /nfs/dbraw/zinc/22/62/31/1070226231.db2.gz XQQLFODWWXKSMZ-OAQYLSRUSA-N 1 0 453.549 3.687 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314384229 1070228103 /nfs/dbraw/zinc/22/81/03/1070228103.db2.gz BFPKMJSVDPMXEQ-PCCBWWKXSA-N 1 0 478.682 3.628 20 0 JHADRO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC001307884802 1070224761 /nfs/dbraw/zinc/22/47/61/1070224761.db2.gz DGLYZQRXXXNLPV-BDHVOXNPSA-N 1 0 451.652 3.950 20 0 JHADRO Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cn1 ZINC001313033870 1070228321 /nfs/dbraw/zinc/22/83/21/1070228321.db2.gz QBRXXGPPVQGPDE-FPOVZHCZSA-N 1 0 451.537 3.924 20 0 JHADRO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001314386253 1070232466 /nfs/dbraw/zinc/23/24/66/1070232466.db2.gz WRISUPJOWSYNCK-UHFFFAOYSA-N 1 0 486.661 3.762 20 0 JHADRO CCOC(=O)c1c(NC(=O)CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)sc2c1CCC2 ZINC001307911092 1070235768 /nfs/dbraw/zinc/23/57/68/1070235768.db2.gz VWMXQKXSGQIADN-IBGZPJMESA-N 1 0 455.624 3.601 20 0 JHADRO CCOCc1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314388530 1070238731 /nfs/dbraw/zinc/23/87/31/1070238731.db2.gz KWYAJEVTBVUJDU-FQEVSTJZSA-N 1 0 468.671 3.869 20 0 JHADRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1)N(Cc1ccccc1)C1CC1 ZINC001307916658 1070239368 /nfs/dbraw/zinc/23/93/68/1070239368.db2.gz HFARWNZAYHHGAG-TZIWHRDSSA-N 1 0 451.533 3.833 20 0 JHADRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001307918534 1070240009 /nfs/dbraw/zinc/24/00/09/1070240009.db2.gz KVAFPHKZWMNXMN-IOMROCGXSA-N 1 0 455.603 3.747 20 0 JHADRO O=C(N1CCC[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(CN3CCOCC3)c2)C1)C(F)(F)F ZINC001307917023 1070240107 /nfs/dbraw/zinc/24/01/07/1070240107.db2.gz MYVGKZVEHJSYOW-FGZHOGPDSA-N 1 0 453.549 3.674 20 0 JHADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@@H](O)CC2(O)CCCCC2)cc1 ZINC001307918090 1070240199 /nfs/dbraw/zinc/24/01/99/1070240199.db2.gz BODYTQMFGBXIJQ-PMVMPFDFSA-N 1 0 462.631 3.824 20 0 JHADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001307918046 1070240240 /nfs/dbraw/zinc/24/02/40/1070240240.db2.gz AXJSTGJRZARNDT-KIHHCIJBSA-N 1 0 459.631 3.631 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3OC)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314389139 1070241398 /nfs/dbraw/zinc/24/13/98/1070241398.db2.gz COXBNCSNIQUOLK-NRFANRHFSA-N 1 0 470.643 3.514 20 0 JHADRO CCOCc1nnc(N2CCN(c3ccccc3F)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314390018 1070242570 /nfs/dbraw/zinc/24/25/70/1070242570.db2.gz JFINJKJUHMXZOI-OYRHEFFESA-N 1 0 458.626 3.648 20 0 JHADRO OC[C@@]1([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CCc2cc(Br)ccc2C1 ZINC001307929458 1070246955 /nfs/dbraw/zinc/24/69/55/1070246955.db2.gz WKEWKPULYQCYII-VQTJNVASSA-N 1 0 458.318 3.881 20 0 JHADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccnc(N2CCSCC2)c1 ZINC001313092769 1070249068 /nfs/dbraw/zinc/24/90/68/1070249068.db2.gz CBTFNCVAKVLXBF-HSZRJFAPSA-N 1 0 453.656 3.688 20 0 JHADRO O[C@@H](C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)COc1cc(F)cc(Br)c1 ZINC001307939809 1070251029 /nfs/dbraw/zinc/25/10/29/1070251029.db2.gz UTUQXBMXDVLCDI-YXJHDRRASA-N 1 0 464.253 3.852 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001314398496 1070258899 /nfs/dbraw/zinc/25/88/99/1070258899.db2.gz KPHSTIPTZWXVBJ-UHFFFAOYSA-N 1 0 478.682 3.772 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001314399289 1070259351 /nfs/dbraw/zinc/25/93/51/1070259351.db2.gz TVXSKJTTWRDODL-DEOSSOPVSA-N 1 0 495.590 3.967 20 0 JHADRO CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001314399466 1070259532 /nfs/dbraw/zinc/25/95/32/1070259532.db2.gz AWXLTMBWCUCLIP-QFIPXVFZSA-N 1 0 486.661 3.749 20 0 JHADRO CCOCc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001314399619 1070260452 /nfs/dbraw/zinc/26/04/52/1070260452.db2.gz XJUIDGPCGYPUMB-UHFFFAOYSA-N 1 0 496.578 3.901 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001314402705 1070264412 /nfs/dbraw/zinc/26/44/12/1070264412.db2.gz AGVCLEZTIUBMHA-QHCPKHFHSA-N 1 0 455.647 3.978 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccccc3C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314402438 1070264694 /nfs/dbraw/zinc/26/46/94/1070264694.db2.gz FJJFIJPYERJKCK-FUPPJEDESA-N 1 0 471.646 3.589 20 0 JHADRO COc1cc(NC(=O)CC[NH+]2CCN(Cc3cc4ccccc4[nH]3)CC2)c(OC)cc1Cl ZINC001307977479 1070265443 /nfs/dbraw/zinc/26/54/43/1070265443.db2.gz CPFQGRKUPNOFGN-UHFFFAOYSA-N 1 0 456.974 3.985 20 0 JHADRO Cc1ccc([C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)S(C)(=O)=O)cc1 ZINC001313137181 1070265660 /nfs/dbraw/zinc/26/56/60/1070265660.db2.gz KZSIOOVBHOXZCC-HBUYNFGHSA-N 1 0 457.640 3.537 20 0 JHADRO CCOCc1nnc(N2CCO[C@@](C)(CC)C2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001314403465 1070265882 /nfs/dbraw/zinc/26/58/82/1070265882.db2.gz UOUYHMKLXMQBCH-QFIPXVFZSA-N 1 0 451.681 3.572 20 0 JHADRO Cc1ccc(N2CC[C@H]([NH+]3CCC(CO[C@@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)C2=O)cc1 ZINC001307977921 1070266096 /nfs/dbraw/zinc/26/60/96/1070266096.db2.gz YWYYZLRFFBXBBA-PKTZIBPZSA-N 1 0 457.615 3.838 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](c3ccccc3Cl)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314404274 1070266950 /nfs/dbraw/zinc/26/69/50/1070266950.db2.gz QKYUJWLSYUVESG-CTNGQTDRSA-N 1 0 459.978 3.942 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314404327 1070267570 /nfs/dbraw/zinc/26/75/70/1070267570.db2.gz ZWRBXCDSRGABPY-WOJBJXKFSA-N 1 0 459.591 3.896 20 0 JHADRO CCOCc1nnc(N2CCO[C@H](COc3ccccc3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314408508 1070272953 /nfs/dbraw/zinc/27/29/53/1070272953.db2.gz NZFZFINJZBLIRO-FIXSFTCYSA-N 1 0 485.673 3.855 20 0 JHADRO CCOCc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001314408849 1070273122 /nfs/dbraw/zinc/27/31/22/1070273122.db2.gz PZKFTPNWUNPRPH-YLJYHZDGSA-N 1 0 467.536 3.896 20 0 JHADRO Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@H](c4ccc(F)cc4)C3(C)C)CC2)nc(C(C)C)n1 ZINC001307994359 1070273237 /nfs/dbraw/zinc/27/32/37/1070273237.db2.gz XWDDVESZCLCAFY-JOCHJYFZSA-N 1 0 453.606 3.964 20 0 JHADRO O=C(CN[C@H](CO)c1cccc(C(F)(F)F)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001308003701 1070276331 /nfs/dbraw/zinc/27/63/31/1070276331.db2.gz UOBCWLAICSVCHS-HXUWFJFHSA-N 1 0 453.530 3.516 20 0 JHADRO C[C@@H](NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313168966 1070278292 /nfs/dbraw/zinc/27/82/92/1070278292.db2.gz VSGVIBVQQOFQQH-OFNKIYASSA-N 1 0 458.647 3.980 20 0 JHADRO COC(=O)c1c(C)c(C)sc1NC(=O)CN1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308010294 1070278430 /nfs/dbraw/zinc/27/84/30/1070278430.db2.gz ZLXLNMIHRGNZTD-PLQXJYEYSA-N 1 0 455.624 3.934 20 0 JHADRO CCOCCN(C(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)CCO1)[C@@H]1CCc2ccccc21 ZINC001313170288 1070279126 /nfs/dbraw/zinc/27/91/26/1070279126.db2.gz XJUGNDAGSWZMIS-AOYPEHQESA-N 1 0 451.611 3.931 20 0 JHADRO CCOC(=O)c1sc(CC2CCN(C(=O)NC3CCC(C)([NH+](C)C)CC3)CC2)nc1C ZINC001313179431 1070283599 /nfs/dbraw/zinc/28/35/99/1070283599.db2.gz JBGACXWTZASQHV-UHFFFAOYSA-N 1 0 450.649 3.855 20 0 JHADRO COc1ccccc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC001308026988 1070284551 /nfs/dbraw/zinc/28/45/51/1070284551.db2.gz MVEVEOFZJYQKRV-QZTJIDSGSA-N 1 0 453.539 3.773 20 0 JHADRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@H](CO)c3ccc(Br)c(F)c3)C2)cc1 ZINC001313184032 1070284906 /nfs/dbraw/zinc/28/49/06/1070284906.db2.gz CULBVEZZJMGJKZ-FXAWDEMLSA-N 1 0 450.352 3.504 20 0 JHADRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N[C@H](CO)c3ccc(Br)c(F)c3)C2)cc1 ZINC001313184040 1070285160 /nfs/dbraw/zinc/28/51/60/1070285160.db2.gz CULBVEZZJMGJKZ-YLJYHZDGSA-N 1 0 450.352 3.504 20 0 JHADRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)c4ccc(Cl)cc4F)CC3)C2)cc1 ZINC001313188474 1070286919 /nfs/dbraw/zinc/28/69/19/1070286919.db2.gz WOYUVOGAPZQVLZ-FQEVSTJZSA-N 1 0 458.965 3.529 20 0 JHADRO CCC1([NH+]2CCCCC2)CCN(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 ZINC001308042778 1070290004 /nfs/dbraw/zinc/29/00/04/1070290004.db2.gz OQLBWGWDALESFS-UHFFFAOYSA-N 1 0 458.672 3.545 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CC=CCC2)C1 ZINC001314421164 1070292970 /nfs/dbraw/zinc/29/29/70/1070292970.db2.gz YPYIUJWXEQPCSF-JOCHJYFZSA-N 1 0 466.630 3.662 20 0 JHADRO C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001308046167 1070291609 /nfs/dbraw/zinc/29/16/09/1070291609.db2.gz NMWMEZBOILVKCR-XWGVYQGASA-N 1 0 451.611 3.660 20 0 JHADRO CCOC[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCSCC2)C1 ZINC001314421645 1070294324 /nfs/dbraw/zinc/29/43/24/1070294324.db2.gz PYADDCHQPFBTIH-SFHVURJKSA-N 1 0 450.052 3.900 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C[C@@H]1C(F)(F)F ZINC001308058724 1070296402 /nfs/dbraw/zinc/29/64/02/1070296402.db2.gz DOYCXFCRBNHARO-VYDXJSESSA-N 1 0 457.493 3.543 20 0 JHADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1ccc(F)cc1C ZINC001308062285 1070298431 /nfs/dbraw/zinc/29/84/31/1070298431.db2.gz SRIFAWYSAPGEKB-OAHLLOKOSA-N 1 0 450.352 3.953 20 0 JHADRO COC(=O)C1CC2(C1)C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@H]2C(=O)OC(C)(C)C ZINC001308064772 1070299071 /nfs/dbraw/zinc/29/90/71/1070299071.db2.gz IGAPULAVCCUNGL-OJCRERRGSA-N 1 0 457.489 3.971 20 0 JHADRO CCOC[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001314424371 1070301061 /nfs/dbraw/zinc/30/10/61/1070301061.db2.gz YRTFGKOGYHNAKC-YZUZCNPQSA-N 1 0 455.647 3.659 20 0 JHADRO COc1ccc(CNC(=O)CC[N@@H+]2CCc3cc(OC)c(OC)cc3C23CCC3)c(OC)c1 ZINC001308081333 1070306160 /nfs/dbraw/zinc/30/61/60/1070306160.db2.gz BLHHRNLVNZMQRI-UHFFFAOYSA-N 1 0 454.567 3.665 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001314428206 1070309473 /nfs/dbraw/zinc/30/94/73/1070309473.db2.gz FFBBGBGKYVZMGO-PCCBWWKXSA-N 1 0 471.646 3.704 20 0 JHADRO C[C@@H]1CN(CC[N@@H+]2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C[C@H](C)O1 ZINC001308106923 1070313499 /nfs/dbraw/zinc/31/34/99/1070313499.db2.gz IGNNFYRIIWFZFS-OYRHEFFESA-N 1 0 459.631 3.760 20 0 JHADRO O=C(CN1CCC[N@H+](Cc2ccccc2)CCOCC1)Nc1ccc(N2CCCCC2)cc1 ZINC001308107313 1070313890 /nfs/dbraw/zinc/31/38/90/1070313890.db2.gz MHPPGYVHNWMJNJ-UHFFFAOYSA-N 1 0 450.627 3.840 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001314427666 1070307402 /nfs/dbraw/zinc/30/74/02/1070307402.db2.gz BDYULVZCCZRTQZ-KRWDZBQOSA-N 1 0 482.456 3.962 20 0 JHADRO CC(C)(C)OC(=O)N1CC[NH+](CCCCCNC(=O)N2CCC(OC(C)(C)C)CC2)CC1 ZINC001313254802 1070307487 /nfs/dbraw/zinc/30/74/87/1070307487.db2.gz XLSWZWGLMNXQNG-UHFFFAOYSA-N 1 0 454.656 3.699 20 0 JHADRO C[C@H]1CN(CC[N@@H+]2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C[C@H](C)O1 ZINC001308106924 1070313926 /nfs/dbraw/zinc/31/39/26/1070313926.db2.gz IGNNFYRIIWFZFS-SFTDATJTSA-N 1 0 459.631 3.760 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)C1 ZINC001313292163 1070318808 /nfs/dbraw/zinc/31/88/08/1070318808.db2.gz VMTFUHVWAXFCIE-NJYVYQBISA-N 1 0 478.584 3.795 20 0 JHADRO CCOC[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314433843 1070318788 /nfs/dbraw/zinc/31/87/88/1070318788.db2.gz AAIOZNKHUGMFNP-LEWJYISDSA-N 1 0 492.709 3.843 20 0 JHADRO COc1ccc(C[C@@](C)(CO)[NH2+]CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC001308117726 1070319703 /nfs/dbraw/zinc/31/97/03/1070319703.db2.gz LLUUKMLUWOKCFJ-QHCPKHFHSA-N 1 0 450.501 3.788 20 0 JHADRO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](CCCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001308121032 1070319933 /nfs/dbraw/zinc/31/99/33/1070319933.db2.gz KDDSFVJBKSQLKM-XMMPIXPASA-N 1 0 455.640 3.765 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001314435255 1070321112 /nfs/dbraw/zinc/32/11/12/1070321112.db2.gz OHMGYULPRYLAKV-SFTDATJTSA-N 1 0 471.646 3.946 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CC[NH+]([C@@H]1CCCN(Cc3ccccc3)C1=O)CC2 ZINC001308127284 1070323797 /nfs/dbraw/zinc/32/37/97/1070323797.db2.gz WGODQSPTCAMRAP-FCHUYYIVSA-N 1 0 457.615 3.573 20 0 JHADRO CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CC[NH+]([C@H]1CCCN(Cc3ccccc3)C1=O)CC2 ZINC001308127286 1070323777 /nfs/dbraw/zinc/32/37/77/1070323777.db2.gz WGODQSPTCAMRAP-VXKWHMMOSA-N 1 0 457.615 3.573 20 0 JHADRO CCOC[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+](C)[C@@H](C)CC)C1 ZINC001314438924 1070326499 /nfs/dbraw/zinc/32/64/99/1070326499.db2.gz NYECCVVPCXEFQI-SFTDATJTSA-N 1 0 492.709 3.986 20 0 JHADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC001313320511 1070326741 /nfs/dbraw/zinc/32/67/41/1070326741.db2.gz YPKZEERSUOEHJS-MGPUTAFESA-N 1 0 450.546 3.690 20 0 JHADRO C[N@H+](C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308166357 1070333576 /nfs/dbraw/zinc/33/35/76/1070333576.db2.gz JZMXVPISRKIQPI-IBGZPJMESA-N 1 0 453.624 3.734 20 0 JHADRO CCOC[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001314444087 1070336893 /nfs/dbraw/zinc/33/68/93/1070336893.db2.gz XBLINMQUOZFZLT-NJYVYQBISA-N 1 0 476.666 3.555 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@H](NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CO1 ZINC001313366070 1070338210 /nfs/dbraw/zinc/33/82/10/1070338210.db2.gz LCRVTRLTLZPNBK-RJGXRXQPSA-N 1 0 466.582 3.505 20 0 JHADRO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]Cc3ccccc3S(=O)(=O)N(C)C)n2c1 ZINC001308191692 1070339533 /nfs/dbraw/zinc/33/95/33/1070339533.db2.gz KYELQIFYOZZRNC-UHFFFAOYSA-N 1 0 452.555 3.989 20 0 JHADRO CN1CCN(C(=O)c2ccc(C[NH2+]Cc3cn(Cc4ccccc4)nc3C(C)(C)C)cc2)CC1 ZINC001308199932 1070339908 /nfs/dbraw/zinc/33/99/08/1070339908.db2.gz ARGSHSODJVWRIF-UHFFFAOYSA-N 1 0 459.638 3.906 20 0 JHADRO CCC[C@@H]1CN(C(=O)N[C@@H]2CCSC3(CC(C(=O)OC)C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001313385896 1070343971 /nfs/dbraw/zinc/34/39/71/1070343971.db2.gz KNKFOZXEOGQGSN-YCIYHOANSA-N 1 0 459.656 3.900 20 0 JHADRO O[C@@H](C[NH2+]Cc1cc(Cl)ccc1I)COc1ccc(F)c(F)c1 ZINC001308252503 1070346364 /nfs/dbraw/zinc/34/63/64/1070346364.db2.gz VTDNQQZNSMGHDE-LBPRGKRZSA-N 1 0 453.654 3.752 20 0 JHADRO CC[C@H](NC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)NCc1cccs1 ZINC001313403598 1070349279 /nfs/dbraw/zinc/34/92/79/1070349279.db2.gz LGKKIQHJUWHKMP-FBPBVXOASA-N 1 0 454.640 3.743 20 0 JHADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001308271611 1070349316 /nfs/dbraw/zinc/34/93/16/1070349316.db2.gz VNEQDCPTYNDKIF-XLIONFOSSA-N 1 0 451.036 3.520 20 0 JHADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001308271610 1070349489 /nfs/dbraw/zinc/34/94/89/1070349489.db2.gz VNEQDCPTYNDKIF-PXNSSMCTSA-N 1 0 451.036 3.520 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001313413840 1070351953 /nfs/dbraw/zinc/35/19/53/1070351953.db2.gz DXKFHIWIJMAIBI-MZYLBHOOSA-N 1 0 456.631 3.797 20 0 JHADRO CCOc1cc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)cc(Br)c1OCC(=O)N(C)C ZINC001308283912 1070352264 /nfs/dbraw/zinc/35/22/64/1070352264.db2.gz FWVLNHBYGJUDMC-LAUBAEHRSA-N 1 0 457.409 3.608 20 0 JHADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC001308283162 1070352432 /nfs/dbraw/zinc/35/24/32/1070352432.db2.gz SOUURWSYTDEAJE-CTNGQTDRSA-N 1 0 455.400 3.812 20 0 JHADRO CN(CC[NH2+]Cc1ccc(Br)cc1C(F)(F)F)S(=O)(=O)c1cccs1 ZINC001308337032 1070358299 /nfs/dbraw/zinc/35/82/99/1070358299.db2.gz HVVHUAFLXSGIOL-UHFFFAOYSA-N 1 0 457.337 3.940 20 0 JHADRO COc1cc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc(OC)c1OCc1ccccc1 ZINC001308336168 1070358479 /nfs/dbraw/zinc/35/84/79/1070358479.db2.gz CVSDGLMGBWPELI-GOSISDBHSA-N 1 0 452.473 3.926 20 0 JHADRO CC1CCN(S(=O)(=O)Cc2ccccc2C[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001308334204 1070358583 /nfs/dbraw/zinc/35/85/83/1070358583.db2.gz WFCPJUNHKKQUDQ-UHFFFAOYSA-N 1 0 452.624 3.939 20 0 JHADRO COc1cc(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc2c1OCCO2 ZINC001308346419 1070359655 /nfs/dbraw/zinc/35/96/55/1070359655.db2.gz HLSQYENGXCFBTD-GOSISDBHSA-N 1 0 450.457 3.766 20 0 JHADRO CCOCCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001314459315 1070363100 /nfs/dbraw/zinc/36/31/00/1070363100.db2.gz NTZIMOZQMHXDNF-UHFFFAOYSA-N 1 0 454.438 3.870 20 0 JHADRO COC(=O)c1csc(-c2cccc(C[NH2+]Cc3c(C)nn(C)c3OCC(F)(F)F)c2)n1 ZINC001308370997 1070363234 /nfs/dbraw/zinc/36/32/34/1070363234.db2.gz ZADJDLYJSYLNQO-UHFFFAOYSA-N 1 0 454.474 3.870 20 0 JHADRO Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)N(C)C ZINC001308372748 1070363307 /nfs/dbraw/zinc/36/33/07/1070363307.db2.gz BKCNQYLXZWUTIG-JTAQYXEDSA-N 1 0 456.635 3.940 20 0 JHADRO CCOCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001314459817 1070364497 /nfs/dbraw/zinc/36/44/97/1070364497.db2.gz PNVAMCKUUSWPHZ-KRWDZBQOSA-N 1 0 466.001 3.854 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](COC)C1 ZINC001313446417 1070362239 /nfs/dbraw/zinc/36/22/39/1070362239.db2.gz CBSCXZACPCBVDK-ROUUACIJSA-N 1 0 496.425 3.573 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H]1CCCCO1 ZINC001313447145 1070365376 /nfs/dbraw/zinc/36/53/76/1070365376.db2.gz IGNGLHYOZYPUMY-OALUTQOASA-N 1 0 479.467 3.926 20 0 JHADRO COc1cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)ccc1OCc1ccc(Br)cc1 ZINC001308386301 1070365720 /nfs/dbraw/zinc/36/57/20/1070365720.db2.gz YGWGRWWKUJARMB-RBUKOAKNSA-N 1 0 450.373 3.771 20 0 JHADRO C[C@H](O)c1ncc(C[NH2+]C[C@@H]2CCCN2Cc2ccc(I)cc2)s1 ZINC001308385906 1070366039 /nfs/dbraw/zinc/36/60/39/1070366039.db2.gz QEUPRZXUEVCIKP-BBRMVZONSA-N 1 0 457.381 3.555 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](OCC)C1 ZINC001313447847 1070369238 /nfs/dbraw/zinc/36/92/38/1070369238.db2.gz OREBQYUCHLXAMC-SFTDATJTSA-N 1 0 457.619 3.842 20 0 JHADRO CCOCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001314462353 1070370120 /nfs/dbraw/zinc/37/01/20/1070370120.db2.gz MDNXTHBHUXQIHS-QFIPXVFZSA-N 1 0 465.646 3.667 20 0 JHADRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1OC(F)F ZINC001308402169 1070370129 /nfs/dbraw/zinc/37/01/29/1070370129.db2.gz UDRRTTLZXKGDGW-WFASDCNBSA-N 1 0 455.365 3.557 20 0 JHADRO CC(C)(C)OC(=O)C1CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC001308400700 1070370324 /nfs/dbraw/zinc/37/03/24/1070370324.db2.gz CGVVPEOFRIVNGZ-UHFFFAOYSA-N 1 0 451.416 3.762 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001313448819 1070372119 /nfs/dbraw/zinc/37/21/19/1070372119.db2.gz SDUKPZVTABAOTQ-PMACEKPBSA-N 1 0 459.038 3.825 20 0 JHADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3OCC(=O)NCC3CC3)C[C@@H]2C1 ZINC001308432726 1070374919 /nfs/dbraw/zinc/37/49/19/1070374919.db2.gz NEENRPNQKHOBMT-BDTNDASRSA-N 1 0 457.615 3.717 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](COC)C1 ZINC001313449035 1070372851 /nfs/dbraw/zinc/37/28/51/1070372851.db2.gz UUSXUQSGUVNLDA-PMACEKPBSA-N 1 0 492.462 3.742 20 0 JHADRO CCOCCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[NH+]1CCSCC1 ZINC001314464777 1070374926 /nfs/dbraw/zinc/37/49/26/1070374926.db2.gz NYJUEMXFXPANSA-UHFFFAOYSA-N 1 0 472.684 3.899 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@](C)(CC)C1 ZINC001313449625 1070374503 /nfs/dbraw/zinc/37/45/03/1070374503.db2.gz XJMLPIJPAZLQTL-UQBPGWFLSA-N 1 0 457.619 3.842 20 0 JHADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC001308441204 1070376341 /nfs/dbraw/zinc/37/63/41/1070376341.db2.gz HORWHCWHFVNLIO-IBGZPJMESA-N 1 0 459.414 3.522 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001313449999 1070376423 /nfs/dbraw/zinc/37/64/23/1070376423.db2.gz UHAGNJBEELBUQC-SFHVURJKSA-N 1 0 474.600 3.912 20 0 JHADRO CNC(=O)[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1)Cc1ccc(F)cc1C ZINC001308447659 1070376679 /nfs/dbraw/zinc/37/66/79/1070376679.db2.gz ROPYVUMTQUYCEF-KRWDZBQOSA-N 1 0 459.363 3.981 20 0 JHADRO CNC(=O)[C@H](C[NH2+]Cc1nc(C)c(Br)s1)Cc1ccc(C(F)(F)F)cc1 ZINC001308454559 1070377338 /nfs/dbraw/zinc/37/73/38/1070377338.db2.gz ICVRLCBCUHVBAW-LBPRGKRZSA-N 1 0 450.324 3.927 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(F)cc2)CC1 ZINC001313450388 1070377880 /nfs/dbraw/zinc/37/78/80/1070377880.db2.gz XRLJFFUIWALXFF-QHCPKHFHSA-N 1 0 485.652 3.537 20 0 JHADRO CCCn1nc(-c2nnc(N(C)CC(F)(F)F)n2CC[N@H+](C)[C@H](C)CC)c2ccccc2c1=O ZINC001313452047 1070381289 /nfs/dbraw/zinc/38/12/89/1070381289.db2.gz CSRFOUXFHQACIV-MRXNPFEDSA-N 1 0 479.551 3.794 20 0 JHADRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NCc3ccc(O[C@H]4CCOC4)cc3)c2)CC1 ZINC001308482273 1070381287 /nfs/dbraw/zinc/38/12/87/1070381287.db2.gz KAHDYRWCCKNIQT-QFIPXVFZSA-N 1 0 454.571 3.919 20 0 JHADRO CCOCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314472954 1070383420 /nfs/dbraw/zinc/38/34/20/1070383420.db2.gz WXRXDLLGARPWPP-VIZSFHNOSA-N 1 0 457.619 3.631 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001313452925 1070383913 /nfs/dbraw/zinc/38/39/13/1070383913.db2.gz QVAJZQGGUYVFNB-PKTZIBPZSA-N 1 0 452.647 3.547 20 0 JHADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cc(C)c(C4OCCO4)cc3C)C2)cc1 ZINC001308562186 1070390413 /nfs/dbraw/zinc/39/04/13/1070390413.db2.gz CHDHIELNBNSMSK-OAQYLSRUSA-N 1 0 458.624 3.848 20 0 JHADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCS(=O)CC1 ZINC001313453765 1070386922 /nfs/dbraw/zinc/38/69/22/1070386922.db2.gz VWUYPFCHKCJFSR-NRFANRHFSA-N 1 0 473.687 3.732 20 0 JHADRO CCOCCN(CC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314477093 1070387637 /nfs/dbraw/zinc/38/76/37/1070387637.db2.gz ZZEHLLMYMXVELQ-RBUKOAKNSA-N 1 0 467.618 3.577 20 0 JHADRO CCCn1nc(-c2nnc(N(CC)CC)n2CC2([NH+](C)C)CCCC2)c2ccccc2c1=O ZINC001313454630 1070389628 /nfs/dbraw/zinc/38/96/28/1070389628.db2.gz UOOQOSKYNCMGEJ-UHFFFAOYSA-N 1 0 451.619 3.786 20 0 JHADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cc(C)c(C4OCCO4)cc3C)C2)cc1 ZINC001308562182 1070389807 /nfs/dbraw/zinc/38/98/07/1070389807.db2.gz CHDHIELNBNSMSK-NRFANRHFSA-N 1 0 458.624 3.848 20 0 JHADRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC001308563270 1070390192 /nfs/dbraw/zinc/39/01/92/1070390192.db2.gz WSIVIHNAAWEADZ-IEBWSBKVSA-N 1 0 452.437 3.803 20 0 JHADRO CCCn1nc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001313455162 1070391523 /nfs/dbraw/zinc/39/15/23/1070391523.db2.gz JODWVRJCNDZSRK-NRFANRHFSA-N 1 0 495.672 3.514 20 0 JHADRO CCCn1nc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@@H]3C)n2CCCSC)c2ccccc2c1=O ZINC001313455507 1070392988 /nfs/dbraw/zinc/39/29/88/1070392988.db2.gz MTNGPCBANMHCMK-MOPGFXCFSA-N 1 0 483.686 3.737 20 0 JHADRO COc1cc(C[N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)ccc1OC(=O)C1CC1 ZINC001308576713 1070393489 /nfs/dbraw/zinc/39/34/89/1070393489.db2.gz ALFRQGDTOLZGED-QGZVFWFLSA-N 1 0 453.457 3.901 20 0 JHADRO COc1cc(C[N@H+]2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)ccc1OC(=O)C1CC1 ZINC001308580251 1070394039 /nfs/dbraw/zinc/39/40/39/1070394039.db2.gz MXFDLLANISPPJI-QGZVFWFLSA-N 1 0 459.612 3.882 20 0 JHADRO COCCOCc1ccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1 ZINC001308590693 1070396559 /nfs/dbraw/zinc/39/65/59/1070396559.db2.gz AZAOTAICIUGTBI-GOSISDBHSA-N 1 0 452.551 3.664 20 0 JHADRO COCC[N@H+](C)CCCC1CCN(Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC001308600129 1070398158 /nfs/dbraw/zinc/39/81/58/1070398158.db2.gz XDFHXSCXWHZGDL-UHFFFAOYSA-N 1 0 450.425 3.600 20 0 JHADRO CCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001314489426 1070400097 /nfs/dbraw/zinc/40/00/97/1070400097.db2.gz QWOSMIXOFOMZTA-IBGZPJMESA-N 1 0 454.644 3.771 20 0 JHADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001308605163 1070400088 /nfs/dbraw/zinc/40/00/88/1070400088.db2.gz GLIOWTPZAFEINZ-UHFFFAOYSA-N 1 0 453.384 3.962 20 0 JHADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cnn1C ZINC001308620477 1070403293 /nfs/dbraw/zinc/40/32/93/1070403293.db2.gz WBJRXMMQNYNPBB-GHTZIAJQSA-N 1 0 456.587 3.978 20 0 JHADRO C[C@H](C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC001308623492 1070404128 /nfs/dbraw/zinc/40/41/28/1070404128.db2.gz IEVQTIJEPGTJRC-CYBMUJFWSA-N 1 0 457.356 3.841 20 0 JHADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC001308625231 1070404862 /nfs/dbraw/zinc/40/48/62/1070404862.db2.gz HUSJBXNVXVHJMF-QFIPXVFZSA-N 1 0 456.587 3.972 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)cc2OC)C[C@H]1CC ZINC001314492719 1070406028 /nfs/dbraw/zinc/40/60/28/1070406028.db2.gz ANIAWNMOZXQHMO-HXUWFJFHSA-N 1 0 459.635 3.578 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2-n2cccn2)C[C@@H]1CC ZINC001314494916 1070410771 /nfs/dbraw/zinc/41/07/71/1070410771.db2.gz UFMORKNRERJJJU-QFIPXVFZSA-N 1 0 465.646 3.747 20 0 JHADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001308656559 1070411694 /nfs/dbraw/zinc/41/16/94/1070411694.db2.gz KOHBUPGLRZTLGL-KRWDZBQOSA-N 1 0 459.612 3.820 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccn(Cc3ccccc3)n2)C[C@H]1CC ZINC001314493663 1070408304 /nfs/dbraw/zinc/40/83/04/1070408304.db2.gz KPCZLXUABAKGBX-XMMPIXPASA-N 1 0 479.673 3.806 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H](C)CC)n2Cc2nnc(C(C)(C)C)s2)C[C@H]1CC ZINC001314493798 1070408336 /nfs/dbraw/zinc/40/83/36/1070408336.db2.gz KVYUAPHPZXVGCU-ZWKOTPCHSA-N 1 0 463.696 3.926 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1CC ZINC001314495531 1070413716 /nfs/dbraw/zinc/41/37/16/1070413716.db2.gz IGRNIIQUHHLSCD-QHCPKHFHSA-N 1 0 496.700 3.982 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001313461118 1070414299 /nfs/dbraw/zinc/41/42/99/1070414299.db2.gz URTBFIQXJHIBIG-PWRODBHTSA-N 1 0 486.636 3.784 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H]1CC ZINC001314495631 1070414372 /nfs/dbraw/zinc/41/43/72/1070414372.db2.gz JKTARNMTVWDODW-GUDVDZBRSA-N 1 0 481.567 3.966 20 0 JHADRO CCCNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)CC)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001313461200 1070415019 /nfs/dbraw/zinc/41/50/19/1070415019.db2.gz VOSYTDFJESAIQA-ICSRJNTNSA-N 1 0 458.676 3.654 20 0 JHADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](CCO)c2ccccc2Br)c(OC)c1 ZINC001308682877 1070417664 /nfs/dbraw/zinc/41/76/64/1070417664.db2.gz HCERYZOLWSPYCB-KBXCAEBGSA-N 1 0 451.361 3.897 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)C2CCCCC2)C[C@@H]1CC ZINC001314495839 1070416119 /nfs/dbraw/zinc/41/61/19/1070416119.db2.gz KNQZKBCTUDLONV-BKMJKUGQSA-N 1 0 472.678 3.552 20 0 JHADRO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001308681447 1070416575 /nfs/dbraw/zinc/41/65/75/1070416575.db2.gz AELVWKCXEIGRAD-XLIONFOSSA-N 1 0 454.571 3.858 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCn2ccnc2C)C[C@H]1CC ZINC001314496502 1070418035 /nfs/dbraw/zinc/41/80/35/1070418035.db2.gz RKOLZHVCSMBRJD-HXUWFJFHSA-N 1 0 472.037 3.741 20 0 JHADRO CCOCCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001314496777 1070418828 /nfs/dbraw/zinc/41/88/28/1070418828.db2.gz UNOKCGBHCAVROY-FGZHOGPDSA-N 1 0 483.705 3.564 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C)cc2OC)C[C@H]1CC ZINC001314496792 1070418838 /nfs/dbraw/zinc/41/88/38/1070418838.db2.gz URGLWIMAPMYQPM-HSZRJFAPSA-N 1 0 478.641 3.951 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CC(=O)Nc2c(C)cccc2C)C[C@H]1CC ZINC001314496694 1070418974 /nfs/dbraw/zinc/41/89/74/1070418974.db2.gz RRFXNMBMIPAQNF-JOCHJYFZSA-N 1 0 491.640 3.533 20 0 JHADRO CCOCCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001314497004 1070419769 /nfs/dbraw/zinc/41/97/69/1070419769.db2.gz VRZCQMJCKIBQPN-QFIPXVFZSA-N 1 0 472.653 3.611 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCSC2(C)C)C[C@H]1CC ZINC001314497562 1070420520 /nfs/dbraw/zinc/42/05/20/1070420520.db2.gz BBQYVGBHDYIRDK-FCHUYYIVSA-N 1 0 489.734 3.609 20 0 JHADRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(OCCN4CCOCC4)cc3)C2)C1 ZINC001308716407 1070424406 /nfs/dbraw/zinc/42/44/06/1070424406.db2.gz OOPXBSYJVDFSER-AREMUKBSSA-N 1 0 459.631 3.621 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCCCCC2)C[C@@H]1CC ZINC001314498600 1070424667 /nfs/dbraw/zinc/42/46/67/1070424667.db2.gz IWJHNGSDPOHATA-FCHUYYIVSA-N 1 0 463.667 3.542 20 0 JHADRO CCOC1CC(C[NH2+][C@@H](C)C[C@H]2CCCCCN2C(=O)OC(C)(C)C)(N2CCOCC2)C1 ZINC001308720372 1070425065 /nfs/dbraw/zinc/42/50/65/1070425065.db2.gz LMUOPFLXRWAWCP-CAZGJIJUSA-N 1 0 453.668 3.804 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC)n2Cc2ccccc2-n2nc(C)cc2C)C[C@H]1CC ZINC001314499423 1070427401 /nfs/dbraw/zinc/42/74/01/1070427401.db2.gz KGTCJOATDMHERZ-HSZRJFAPSA-N 1 0 465.646 3.628 20 0 JHADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC001308732709 1070427590 /nfs/dbraw/zinc/42/75/90/1070427590.db2.gz TYWJYVJHNHKFTN-HKUYNNGSSA-N 1 0 457.434 3.541 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2sccc2C)C[C@@H]1CC ZINC001314500005 1070428970 /nfs/dbraw/zinc/42/89/70/1070428970.db2.gz OQHNXZADDBLQKZ-NRFANRHFSA-N 1 0 454.644 3.619 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001313464929 1070430476 /nfs/dbraw/zinc/43/04/76/1070430476.db2.gz LFCYZXWMHCVOFB-QUCCMNQESA-N 1 0 460.692 3.974 20 0 JHADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c1 ZINC001308751695 1070430863 /nfs/dbraw/zinc/43/08/63/1070430863.db2.gz LKTCTKNXQVMXMG-ZWKOTPCHSA-N 1 0 459.450 3.752 20 0 JHADRO CCOCCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001314500962 1070432313 /nfs/dbraw/zinc/43/23/13/1070432313.db2.gz ZVAFZUKLTRELIY-UHFFFAOYSA-N 1 0 470.593 3.500 20 0 JHADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC001308769957 1070435158 /nfs/dbraw/zinc/43/51/58/1070435158.db2.gz OGPLYFZPJRWBTC-SUIZVZERSA-N 1 0 453.587 3.736 20 0 JHADRO Cn1cc([C@H]2C[N@H+](Cc3ccc(F)cc3I)CC23CCOCC3)cn1 ZINC001308774661 1070435696 /nfs/dbraw/zinc/43/56/96/1070435696.db2.gz RTXAZPDTBHBOQV-QGZVFWFLSA-N 1 0 455.315 3.560 20 0 JHADRO COC(=O)COc1ccc(C[NH+]2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)cc1 ZINC001308792027 1070438151 /nfs/dbraw/zinc/43/81/51/1070438151.db2.gz GYQNQMZSRGGZNX-BJKOFHAPSA-N 1 0 452.551 3.765 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc3c[nH]nc3c2)C[C@@H]1CC ZINC001314502492 1070437485 /nfs/dbraw/zinc/43/74/85/1070437485.db2.gz ZSOVHNKZROZPFT-QFIPXVFZSA-N 1 0 467.662 3.923 20 0 JHADRO COC(=O)COc1ccc(C[NH+]2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)cc1 ZINC001308792030 1070438600 /nfs/dbraw/zinc/43/86/00/1070438600.db2.gz GYQNQMZSRGGZNX-RPWUZVMVSA-N 1 0 452.551 3.765 20 0 JHADRO CCOc1cc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)ccc1OCc1ccc(C(=O)OC)o1 ZINC001308797814 1070439681 /nfs/dbraw/zinc/43/96/81/1070439681.db2.gz JMADSNVYIBLMEX-CYFREDJKSA-N 1 0 453.491 3.628 20 0 JHADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2CC[N@H+](C)[C@@H](C)CC)C1 ZINC001313466829 1070440627 /nfs/dbraw/zinc/44/06/27/1070440627.db2.gz NJIRPZRZUTVVAU-RBBKRZOGSA-N 1 0 477.657 3.966 20 0 JHADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(Cl)s2)C[C@H]1CC ZINC001314503833 1070441998 /nfs/dbraw/zinc/44/19/98/1070441998.db2.gz VVQQXBNKSKJUNL-SJLPKXTDSA-N 1 0 454.040 3.830 20 0 JHADRO OC[C@@H](C[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)Cc1cc(F)cc(Br)c1 ZINC001308811507 1070442065 /nfs/dbraw/zinc/44/20/65/1070442065.db2.gz PLHRIXKXXWIMGW-MRXNPFEDSA-N 1 0 459.363 3.987 20 0 JHADRO CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3C[N@@H+](C/C=C/c4cccc(F)c4)CC[C@H]32)CC1 ZINC001308817421 1070442612 /nfs/dbraw/zinc/44/26/12/1070442612.db2.gz FMXPAHLFXYFYNC-VICXPYPNSA-N 1 0 458.578 3.707 20 0 JHADRO CC(C)(C)OC(=O)N1CC[C@](C)(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC001308818203 1070442712 /nfs/dbraw/zinc/44/27/12/1070442712.db2.gz AGWRDMSJIBNYCX-HXUWFJFHSA-N 1 0 455.397 3.740 20 0 JHADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2OC)c1 ZINC001308819763 1070442823 /nfs/dbraw/zinc/44/28/23/1070442823.db2.gz OFKIFZOWPRXZGD-CQSZACIVSA-N 1 0 454.976 3.658 20 0 JHADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC(=O)N(CC)C1 ZINC001308844932 1070447487 /nfs/dbraw/zinc/44/74/87/1070447487.db2.gz CHHOKBBSFLIRSW-IAGOWNOFSA-N 1 0 457.596 3.767 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H](CC)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001313468711 1070449496 /nfs/dbraw/zinc/44/94/96/1070449496.db2.gz OYCMIDVVUZEZPB-XMMPIXPASA-N 1 0 466.674 3.981 20 0 JHADRO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2ccc(N3CCC(C(=O)OC(C)(C)C)CC3)o2)CC1 ZINC001308874345 1070453340 /nfs/dbraw/zinc/45/33/40/1070453340.db2.gz MMBHSNHBFGGCDJ-QHCPKHFHSA-N 1 0 458.603 3.517 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001313469573 1070453655 /nfs/dbraw/zinc/45/36/55/1070453655.db2.gz XGWOQBGHITUSJT-RTWAWAEBSA-N 1 0 482.673 3.817 20 0 JHADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc2cc(F)ccc2OC(F)F)cnn1C ZINC001308881822 1070454132 /nfs/dbraw/zinc/45/41/32/1070454132.db2.gz WZWQAZPIPQXAIP-OAHLLOKOSA-N 1 0 456.509 3.942 20 0 JHADRO CCOC(=O)Cn1cc(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)c(-c2cnn(C)c2)n1 ZINC001308886743 1070455032 /nfs/dbraw/zinc/45/50/32/1070455032.db2.gz QFGKLTSIBKHUBB-UHFFFAOYSA-N 1 0 455.868 3.809 20 0 JHADRO COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC001308897716 1070456456 /nfs/dbraw/zinc/45/64/56/1070456456.db2.gz OBDKTDCHWWPZKV-FSSFTBLYSA-N 1 0 456.652 3.856 20 0 JHADRO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cnn(C)c3)n2CC[NH+](C(C)C)C(C)C)C12CCCC2 ZINC001314508122 1070457310 /nfs/dbraw/zinc/45/73/10/1070457310.db2.gz XEUCGZAKKAVILM-FCHUYYIVSA-N 1 0 457.667 3.971 20 0 JHADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC(=O)N2CCc3ccccc32)CC1 ZINC001308922952 1070459592 /nfs/dbraw/zinc/45/95/92/1070459592.db2.gz NXGYLYQJPFEZQY-UHFFFAOYSA-N 1 0 456.384 3.541 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001313471136 1070460193 /nfs/dbraw/zinc/46/01/93/1070460193.db2.gz CBPDIHLLIQALBV-IBGZPJMESA-N 1 0 488.080 3.857 20 0 JHADRO COc1ccccc1-n1nccc1C[NH+]1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001308961879 1070467061 /nfs/dbraw/zinc/46/70/61/1070467061.db2.gz BLIOSIJOLYLFGC-FQEVSTJZSA-N 1 0 456.587 3.777 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001313471314 1070461694 /nfs/dbraw/zinc/46/16/94/1070461694.db2.gz GTOYMYFLGXKDHZ-UHFFFAOYSA-N 1 0 468.646 3.572 20 0 JHADRO CCS(=O)(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001314509172 1070461714 /nfs/dbraw/zinc/46/17/14/1070461714.db2.gz GFTUJALYZRBTAG-UHFFFAOYSA-N 1 0 467.724 3.926 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001313473334 1070470061 /nfs/dbraw/zinc/47/00/61/1070470061.db2.gz QWRMWOHSIIAKFL-NFBKMPQASA-N 1 0 482.673 3.654 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313477045 1070483134 /nfs/dbraw/zinc/48/31/34/1070483134.db2.gz NAXUIPWNXCQUEG-NRFANRHFSA-N 1 0 496.700 3.948 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001314514394 1070483427 /nfs/dbraw/zinc/48/34/27/1070483427.db2.gz ZJYLECVRMDGSKV-UGKGYDQZSA-N 1 0 485.654 3.771 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001314515553 1070486643 /nfs/dbraw/zinc/48/66/43/1070486643.db2.gz HPXMFVXEVMCVFN-ROUUACIJSA-N 1 0 468.067 3.590 20 0 JHADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314515541 1070486647 /nfs/dbraw/zinc/48/66/47/1070486647.db2.gz HPBGTSWVKVEMRU-JXQFQVJHSA-N 1 0 479.666 3.854 20 0 JHADRO CCCNC(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001313478200 1070488147 /nfs/dbraw/zinc/48/81/47/1070488147.db2.gz PWLWHOINFFHEEB-QFIPXVFZSA-N 1 0 452.647 3.833 20 0 JHADRO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001313478389 1070488675 /nfs/dbraw/zinc/48/86/75/1070488675.db2.gz XORCBSFXTUBFPO-CEMLEFRQSA-N 1 0 476.710 3.670 20 0 JHADRO O=S(=O)(NCCN1CC[NH+](Cc2ccccc2)CC1)c1csc2ccc(Cl)cc21 ZINC001309029842 1070496042 /nfs/dbraw/zinc/49/60/42/1070496042.db2.gz FKIPLKJQZGRLGT-UHFFFAOYSA-N 1 0 450.029 3.651 20 0 JHADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1)Cc1ccccc1 ZINC001309030491 1070496141 /nfs/dbraw/zinc/49/61/41/1070496141.db2.gz CEOLBDRWDBIWIR-QGZVFWFLSA-N 1 0 453.992 3.750 20 0 JHADRO CCCNC(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313483739 1070498971 /nfs/dbraw/zinc/49/89/71/1070498971.db2.gz GBAJMDYKOOAIMW-MRXNPFEDSA-N 1 0 483.444 3.611 20 0 JHADRO Cc1cc(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)c(F)cc1Br ZINC001309048934 1070507018 /nfs/dbraw/zinc/50/70/18/1070507018.db2.gz ZVNNGYZLSFQNGH-UHFFFAOYSA-N 1 0 455.393 3.882 20 0 JHADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001309042553 1070503008 /nfs/dbraw/zinc/50/30/08/1070503008.db2.gz WISILKDVMGJNSN-UHFFFAOYSA-N 1 0 450.992 3.796 20 0 JHADRO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314522006 1070509527 /nfs/dbraw/zinc/50/95/27/1070509527.db2.gz BZODLCCSCBCGMA-OYRHEFFESA-N 1 0 498.697 3.732 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313491394 1070512230 /nfs/dbraw/zinc/51/22/30/1070512230.db2.gz FVAZAUGEVXKBFI-UHFFFAOYSA-N 1 0 486.661 3.579 20 0 JHADRO CCCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001313493025 1070513908 /nfs/dbraw/zinc/51/39/08/1070513908.db2.gz OKZYVHCRGYJXND-UHFFFAOYSA-N 1 0 459.038 3.825 20 0 JHADRO CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001314528814 1070521872 /nfs/dbraw/zinc/52/18/72/1070521872.db2.gz FUUOIFBCNAFIAR-UHFFFAOYSA-N 1 0 495.093 3.521 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001313502732 1070530443 /nfs/dbraw/zinc/53/04/43/1070530443.db2.gz LGDMNUCBWAIISG-NFQMXDRXSA-N 1 0 498.672 3.565 20 0 JHADRO O=S(=O)(Cc1ccc(Br)c(F)c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001309090095 1070533717 /nfs/dbraw/zinc/53/37/17/1070533717.db2.gz ITHGYMGUWDCMHI-UHFFFAOYSA-N 1 0 455.393 3.920 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001313503988 1070536149 /nfs/dbraw/zinc/53/61/49/1070536149.db2.gz RYNOWDIAUVEEGV-GBXCKJPGSA-N 1 0 469.630 3.866 20 0 JHADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@](C)(O)C2CC2)cc1OC ZINC001313503994 1070536290 /nfs/dbraw/zinc/53/62/90/1070536290.db2.gz VFRUKEIFVIKZIB-ANSQWYIGSA-N 1 0 471.646 3.822 20 0 JHADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001309100028 1070540134 /nfs/dbraw/zinc/54/01/34/1070540134.db2.gz KUTJUUXHORRVQQ-ZIAGYGMSSA-N 1 0 450.523 3.527 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001313504887 1070540413 /nfs/dbraw/zinc/54/04/13/1070540413.db2.gz HIIOIFYZWVUVMC-QFIPXVFZSA-N 1 0 498.672 3.531 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2C[C@](C)(O)CC)cc1OC ZINC001313506186 1070545659 /nfs/dbraw/zinc/54/56/59/1070545659.db2.gz VEQPUPOLCLYBCZ-NBGIEHNGSA-N 1 0 457.619 3.578 20 0 JHADRO CCCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCC[NH+]2CCCCC2)cc1OC ZINC001313506232 1070547505 /nfs/dbraw/zinc/54/75/05/1070547505.db2.gz WHUZCQPSOJTYPR-HXUWFJFHSA-N 1 0 457.619 3.844 20 0 JHADRO CCCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1OC ZINC001313512954 1070565430 /nfs/dbraw/zinc/56/54/30/1070565430.db2.gz ZUMKDZXAWKOSIB-FGZHOGPDSA-N 1 0 495.672 3.904 20 0 JHADRO CC[S@](=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001314565507 1070570787 /nfs/dbraw/zinc/57/07/87/1070570787.db2.gz SEUKBWWBKWYNOU-LJAQVGFWSA-N 1 0 486.455 3.536 20 0 JHADRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 ZINC001309152018 1070571164 /nfs/dbraw/zinc/57/11/64/1070571164.db2.gz NYEMBLRDGBSSDZ-SFHVURJKSA-N 1 0 452.580 3.742 20 0 JHADRO CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N(CC[NH+](C)C)Cc3cccc(C)c3)ccc21 ZINC001309153796 1070572323 /nfs/dbraw/zinc/57/23/23/1070572323.db2.gz IGGDREVAXSWBRY-UHFFFAOYSA-N 1 0 457.640 3.782 20 0 JHADRO CC[S@@](=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001314564161 1070567651 /nfs/dbraw/zinc/56/76/51/1070567651.db2.gz OQDZPYNOEIQYDD-GDLZYMKVSA-N 1 0 482.492 3.751 20 0 JHADRO CC[S@@](=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314565193 1070570101 /nfs/dbraw/zinc/57/01/01/1070570101.db2.gz ZWFUKPKFXVDJKD-XFSFLGPDSA-N 1 0 455.628 3.716 20 0 JHADRO CC[S@@](=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001314568880 1070573977 /nfs/dbraw/zinc/57/39/77/1070573977.db2.gz KXYUMYBCZIJBBP-DHYKOVJISA-N 1 0 475.678 3.725 20 0 JHADRO CCCOc1ncccc1Cn1c([C@H](C)CC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001313518057 1070581398 /nfs/dbraw/zinc/58/13/98/1070581398.db2.gz KNQSKPPGVCCYAP-UXHICEINSA-N 1 0 456.635 3.713 20 0 JHADRO CC[NH+](CC)CCNC(=O)c1ccc(OS(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC001309178717 1070587556 /nfs/dbraw/zinc/58/75/56/1070587556.db2.gz GVIGGLQYIPWEDF-UHFFFAOYSA-N 1 0 458.502 3.686 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC001314578499 1070588005 /nfs/dbraw/zinc/58/80/05/1070588005.db2.gz WVGBVTIEOPXPQU-QZTJIDSGSA-N 1 0 479.695 3.910 20 0 JHADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@H](C)C1 ZINC001309182902 1070589771 /nfs/dbraw/zinc/58/97/71/1070589771.db2.gz HPGQRQGHBPAGKT-QAPCUYQASA-N 1 0 458.049 3.879 20 0 JHADRO C[C@@H]1CCCCN1C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC001309185564 1070592361 /nfs/dbraw/zinc/59/23/61/1070592361.db2.gz ZOZGSIIIVZMAHJ-QGZVFWFLSA-N 1 0 455.416 3.632 20 0 JHADRO CCS[C@H](C)c1noc(CN(C)c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)n1 ZINC001314585581 1070606036 /nfs/dbraw/zinc/60/60/36/1070606036.db2.gz YZEBRDVTLVRQNX-MSOLQXFVSA-N 1 0 477.679 3.880 20 0 JHADRO CCCO[C@@H]1CCCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC[N@H+](CC)C(C)C)CC1 ZINC001313528606 1070607481 /nfs/dbraw/zinc/60/74/81/1070607481.db2.gz OPJNIMPQWBHYIB-OAQYLSRUSA-N 1 0 495.672 3.708 20 0 JHADRO CCS[C@@H]1CC[C@@H](N(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)[NH+](C)C)C1 ZINC001314590003 1070617677 /nfs/dbraw/zinc/61/76/77/1070617677.db2.gz UZYDDIZYXRIAKD-PWIZWCRZSA-N 1 0 479.094 3.922 20 0 JHADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC001309219082 1070618078 /nfs/dbraw/zinc/61/80/78/1070618078.db2.gz MIAIIKMZLNMJDU-AUUYWEPGSA-N 1 0 457.017 3.940 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001314591188 1070620544 /nfs/dbraw/zinc/62/05/44/1070620544.db2.gz DPVYDYROUCLIFQ-XLIONFOSSA-N 1 0 479.094 3.924 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001314592611 1070626120 /nfs/dbraw/zinc/62/61/20/1070626120.db2.gz RKJBHOROGKFAAO-PMACEKPBSA-N 1 0 464.724 3.630 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314594070 1070630491 /nfs/dbraw/zinc/63/04/91/1070630491.db2.gz JIUOENQBFYVZEX-LILSUDLASA-N 1 0 497.775 3.659 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314597220 1070640369 /nfs/dbraw/zinc/64/03/69/1070640369.db2.gz QLFMKGKWGKLQDH-QGLKVJOYSA-N 1 0 462.708 3.708 20 0 JHADRO CCS[C@H]1CCCCN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001314597278 1070641183 /nfs/dbraw/zinc/64/11/83/1070641183.db2.gz ULHFFTIERRKVIT-VXKWHMMOSA-N 1 0 472.703 3.997 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001314598066 1070642680 /nfs/dbraw/zinc/64/26/80/1070642680.db2.gz IAYDRUQXFWNZOL-VQTJNVASSA-N 1 0 479.094 3.952 20 0 JHADRO C[N@H+](CCCOc1ccccc1CNS(=O)(=O)N1CCc2ccccc2C1)C1CCCC1 ZINC001309253908 1070647521 /nfs/dbraw/zinc/64/75/21/1070647521.db2.gz VPDRFBHLIDPYBO-UHFFFAOYSA-N 1 0 457.640 3.723 20 0 JHADRO CCS[C@@H]1CC[C@H](N(C)c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001314599634 1070648016 /nfs/dbraw/zinc/64/80/16/1070648016.db2.gz WEOKUXGXVXRJGA-SGIRGMQISA-N 1 0 457.688 3.630 20 0 JHADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001313545949 1070652876 /nfs/dbraw/zinc/65/28/76/1070652876.db2.gz NAYIYAATOOKWOI-FYYLOGMGSA-N 1 0 497.688 3.974 20 0 JHADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)s1 ZINC001309264168 1070654588 /nfs/dbraw/zinc/65/45/88/1070654588.db2.gz ZLQDHZKPZQHWDL-UHFFFAOYSA-N 1 0 455.690 3.528 20 0 JHADRO CCS[C@@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001314602533 1070656445 /nfs/dbraw/zinc/65/64/45/1070656445.db2.gz ZZIYTIRUVZFLML-TZIWHRDSSA-N 1 0 491.727 3.802 20 0 JHADRO COc1ccc(S(=O)(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC001309282390 1070667013 /nfs/dbraw/zinc/66/70/13/1070667013.db2.gz CGGDDXFFAUDUIU-UHFFFAOYSA-N 1 0 453.004 3.698 20 0 JHADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC001309277570 1070664124 /nfs/dbraw/zinc/66/41/24/1070664124.db2.gz JIMOSDKDAVGGHL-UHFFFAOYSA-N 1 0 453.830 3.579 20 0 JHADRO CCN(C)C(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001313555542 1070672266 /nfs/dbraw/zinc/67/22/66/1070672266.db2.gz FWSCBAWUMCAXLE-QFIPXVFZSA-N 1 0 487.092 3.949 20 0 JHADRO O=S(=O)(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)s1 ZINC001309294771 1070677265 /nfs/dbraw/zinc/67/72/65/1070677265.db2.gz LSJVKMGSXFFFLO-UHFFFAOYSA-N 1 0 452.495 3.728 20 0 JHADRO CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001313560337 1070678509 /nfs/dbraw/zinc/67/85/09/1070678509.db2.gz GPCPLZOPAPPELN-PKOBYXMFSA-N 1 0 458.676 3.530 20 0 JHADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)C1 ZINC001309297076 1070678738 /nfs/dbraw/zinc/67/87/38/1070678738.db2.gz NRPPWHQVHKSFIA-GDBMZVCRSA-N 1 0 456.431 3.677 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)C)nnc2N2CCC(C(=O)Nc3nncs3)CC2)c1 ZINC001313572676 1070686850 /nfs/dbraw/zinc/68/68/50/1070686850.db2.gz ALWFEFSFIWEPBT-UHFFFAOYSA-N 1 0 496.685 3.683 20 0 JHADRO CCCOc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1C(C)(C)C ZINC001309308833 1070688174 /nfs/dbraw/zinc/68/81/74/1070688174.db2.gz HSEVDFMCUHJMFM-FCHUYYIVSA-N 1 0 452.661 3.819 20 0 JHADRO CCSCCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001314618254 1070691712 /nfs/dbraw/zinc/69/17/12/1070691712.db2.gz RKEKAEJMQOSEEW-RTBURBONSA-N 1 0 483.686 3.737 20 0 JHADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)C)nnc2N2CCC(NC(=O)c3cc(C)on3)CC2)c1 ZINC001313575848 1070691956 /nfs/dbraw/zinc/69/19/56/1070691956.db2.gz TYBSYJLTZODYOH-UHFFFAOYSA-N 1 0 493.656 3.672 20 0 JHADRO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@@H+]1CCC[C@H](C)C1)C1CCCC1 ZINC001313580988 1070700958 /nfs/dbraw/zinc/70/09/58/1070700958.db2.gz AMRUZURPOSNYAW-FQEVSTJZSA-N 1 0 488.702 3.696 20 0 JHADRO CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)[NH+]1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001313583585 1070706620 /nfs/dbraw/zinc/70/66/20/1070706620.db2.gz UIRKTORVJRMYRU-RXVVDRJESA-N 1 0 480.078 3.732 20 0 JHADRO CCN(c1nnc(-c2cccc(Cl)c2)n1CCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001313583675 1070706649 /nfs/dbraw/zinc/70/66/49/1070706649.db2.gz INBVLBDHCDXISY-WIYYLYMNSA-N 1 0 480.078 3.876 20 0 JHADRO CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC001313587177 1070712569 /nfs/dbraw/zinc/71/25/69/1070712569.db2.gz BZBZWRZKQWFJQQ-NHCUHLMSSA-N 1 0 465.650 3.914 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2CC[NH+]2CCCC2)C1 ZINC001314624743 1070710678 /nfs/dbraw/zinc/71/06/78/1070710678.db2.gz IEXBCKQGKVHJME-HSZRJFAPSA-N 1 0 482.673 3.995 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001314624966 1070711125 /nfs/dbraw/zinc/71/11/25/1070711125.db2.gz KEWHXDXMKFCZLA-NLFFAJNJSA-N 1 0 492.734 3.894 20 0 JHADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@H]2CCCC[C@@H]2O)cc1 ZINC001309359540 1070721199 /nfs/dbraw/zinc/72/11/99/1070721199.db2.gz ZYUCKSWELSUFMI-KEVKATSASA-N 1 0 456.652 3.776 20 0 JHADRO CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[N@@H+]1CCCO)C(C)C ZINC001313588117 1070714809 /nfs/dbraw/zinc/71/48/09/1070714809.db2.gz QZAAUAUVORIUFR-KRWDZBQOSA-N 1 0 468.415 3.928 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001314626648 1070717832 /nfs/dbraw/zinc/71/78/32/1070717832.db2.gz HWESYLZCNXHKCI-QHCPKHFHSA-N 1 0 484.664 3.823 20 0 JHADRO Cc1cnc(Cl)c(S(=O)(=O)NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)c1 ZINC001309355692 1070718416 /nfs/dbraw/zinc/71/84/16/1070718416.db2.gz JCIAKYDXYGWKLO-ROUUACIJSA-N 1 0 452.020 3.531 20 0 JHADRO CN(C)C(=O)C1(Cn2c([C@@H]3CCCCO3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCCC1 ZINC001314627681 1070720868 /nfs/dbraw/zinc/72/08/68/1070720868.db2.gz FOLJIDBTTAAQSE-NRFANRHFSA-N 1 0 474.694 3.727 20 0 JHADRO CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[NH+]1CCC(C)CC1)C(C)C ZINC001313597322 1070722648 /nfs/dbraw/zinc/72/26/48/1070722648.db2.gz HQGRXGFNOFPGPO-UHFFFAOYSA-N 1 0 451.619 3.642 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(C2CCCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001314628229 1070723746 /nfs/dbraw/zinc/72/37/46/1070723746.db2.gz HRBJHTXTNVMMSU-RLWLMLJZSA-N 1 0 474.694 3.520 20 0 JHADRO CCN(c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H]1CCC[N@@H+](C(C)C)C1)C(C)C ZINC001313599687 1070724012 /nfs/dbraw/zinc/72/40/12/1070724012.db2.gz XCDCPWKCOMZKRJ-IBGZPJMESA-N 1 0 451.619 3.547 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@H]2CCCCO2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001314628490 1070724141 /nfs/dbraw/zinc/72/41/41/1070724141.db2.gz IXTCLVFVWIURSD-FGZHOGPDSA-N 1 0 472.678 3.645 20 0 JHADRO CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001314628716 1070724935 /nfs/dbraw/zinc/72/49/35/1070724935.db2.gz PCICVYRWVNANNU-UHFFFAOYSA-N 1 0 457.022 3.555 20 0 JHADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc(Br)cc(Br)c1 ZINC001309363971 1070725380 /nfs/dbraw/zinc/72/53/80/1070725380.db2.gz ZRHQFQYDIMMESH-LLVKDONJSA-N 1 0 454.228 3.562 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N2CCC[C@@H](Oc3ccccc3)C2)nnc1C(C)(C)C ZINC001314629131 1070726021 /nfs/dbraw/zinc/72/60/21/1070726021.db2.gz NHRLCXJRIMOQAG-DHIUTWEWSA-N 1 0 482.673 3.566 20 0 JHADRO CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC001313604540 1070728088 /nfs/dbraw/zinc/72/80/88/1070728088.db2.gz NOXYWHZWRDSBAF-IBGZPJMESA-N 1 0 451.681 3.604 20 0 JHADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1F ZINC001314629730 1070728713 /nfs/dbraw/zinc/72/87/13/1070728713.db2.gz SQVDBNIRHQPLRG-QFIPXVFZSA-N 1 0 484.645 3.649 20 0 JHADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(CCc2ccccc2)nnc1N1CCCCCCC1 ZINC001314630541 1070731257 /nfs/dbraw/zinc/73/12/57/1070731257.db2.gz YRYDSFHMVGYPCK-XMMPIXPASA-N 1 0 466.674 3.777 20 0 JHADRO CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCC[NH+]1CCC(C)CC1)C(C)C ZINC001313607432 1070731334 /nfs/dbraw/zinc/73/13/34/1070731334.db2.gz ZVUWJWYJAMBCNA-UHFFFAOYSA-N 1 0 454.667 3.809 20 0 JHADRO CN(C)C(=O)CCCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001314631705 1070733359 /nfs/dbraw/zinc/73/33/59/1070733359.db2.gz UZNDABWGRQWYKJ-UHFFFAOYSA-N 1 0 470.637 3.579 20 0 JHADRO CCN(c1nnc(COc2ccccc2OC)n1CC1([NH+](C)C)CCOCC1)C1CCCC1 ZINC001313617649 1070741753 /nfs/dbraw/zinc/74/17/53/1070741753.db2.gz CVJDOMYYIUDPKT-UHFFFAOYSA-N 1 0 457.619 3.745 20 0 JHADRO CN(C)C(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001314641904 1070744467 /nfs/dbraw/zinc/74/44/67/1070744467.db2.gz JVVONMHAVCIIHJ-DEOSSOPVSA-N 1 0 466.674 3.634 20 0 JHADRO CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC001313620716 1070747300 /nfs/dbraw/zinc/74/73/00/1070747300.db2.gz FULBGCCMWNGHFN-UHFFFAOYSA-N 1 0 458.626 3.791 20 0 JHADRO C[NH+](C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCSC(C)(C)C1)c1cccs1 ZINC001314647003 1070748277 /nfs/dbraw/zinc/74/82/77/1070748277.db2.gz IZSBNBOBQCTJHX-MRXNPFEDSA-N 1 0 471.656 3.622 20 0 JHADRO CN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](c1ccco1)[NH+](C)C)[C@H]1CCOC1 ZINC001314647468 1070749896 /nfs/dbraw/zinc/74/98/96/1070749896.db2.gz BUBXEILQQDIQFZ-KBPBESRZSA-N 1 0 466.405 3.890 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)F)CC1)c1cccs1 ZINC001314647763 1070750704 /nfs/dbraw/zinc/75/07/04/1070750704.db2.gz DQAJKCMNYORHHH-SFHVURJKSA-N 1 0 464.561 3.836 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(-c2cccnc2)nnc1N(CCO)Cc1ccc(Br)s1)C1CC1 ZINC001314648045 1070751864 /nfs/dbraw/zinc/75/18/64/1070751864.db2.gz GRPQOHBYZRYKOW-SFHVURJKSA-N 1 0 491.459 3.503 20 0 JHADRO CN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001314649365 1070755523 /nfs/dbraw/zinc/75/55/23/1070755523.db2.gz VZHHKGTVAFPMKT-WIYYLYMNSA-N 1 0 498.068 3.871 20 0 JHADRO CN(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1c(F)cccc1F ZINC001314649410 1070756051 /nfs/dbraw/zinc/75/60/51/1070756051.db2.gz BADMIGHZZBHGFW-RXVVDRJESA-N 1 0 476.616 3.674 20 0 JHADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccsc1 ZINC001314650597 1070759479 /nfs/dbraw/zinc/75/94/79/1070759479.db2.gz JVTHQPVAZFDFGX-WOJBJXKFSA-N 1 0 474.675 3.579 20 0 JHADRO CCN(CC(C)C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001313629404 1070759800 /nfs/dbraw/zinc/75/98/00/1070759800.db2.gz AIXACEDBWLMDML-CTNGQTDRSA-N 1 0 476.666 3.553 20 0 JHADRO C[NH+](C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCCN(CC(F)(F)F)CC1)c1cccc(F)c1 ZINC001314651648 1070761156 /nfs/dbraw/zinc/76/11/56/1070761156.db2.gz WGVVCGIVSYXQOE-OAQYLSRUSA-N 1 0 491.537 3.857 20 0 JHADRO C[NH+](C)[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(N)=O)C1)C1CCCCC1 ZINC001314652128 1070762388 /nfs/dbraw/zinc/76/23/88/1070762388.db2.gz DIVPXDNRDWPZGX-XUZZJYLKSA-N 1 0 496.700 3.977 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001314652548 1070763713 /nfs/dbraw/zinc/76/37/13/1070763713.db2.gz ZUXFQOCWLSBDTM-VXKWHMMOSA-N 1 0 452.647 3.980 20 0 JHADRO CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N[C@H](C[N@H+](C)Cc3ccccc3)C(C)C)cc21 ZINC001309427753 1070763752 /nfs/dbraw/zinc/76/37/52/1070763752.db2.gz QORGHMYHSMTNHI-NTKDMRAZSA-N 1 0 457.640 3.982 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1)C1CCCCC1 ZINC001314652794 1070764360 /nfs/dbraw/zinc/76/43/60/1070764360.db2.gz WUGIOOXSWGWNKI-JOCHJYFZSA-N 1 0 456.683 3.885 20 0 JHADRO C[NH+](C)C1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@H](CC(N)=O)C2)CCC1 ZINC001314653214 1070765548 /nfs/dbraw/zinc/76/55/48/1070765548.db2.gz LXXWCJDCGGKLBF-HNNXBMFYSA-N 1 0 465.429 3.828 20 0 JHADRO C[NH+](C)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(Cl)=C(Cl)C2)CCCC1 ZINC001314654748 1070770426 /nfs/dbraw/zinc/77/04/26/1070770426.db2.gz WKHIWDBCVBQAEW-UHFFFAOYSA-N 1 0 464.401 3.699 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(CC2CC2)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001314655030 1070770818 /nfs/dbraw/zinc/77/08/18/1070770818.db2.gz MBQAGJLWPXYDRO-FQEVSTJZSA-N 1 0 450.553 3.608 20 0 JHADRO C[NH+](C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC001314655230 1070771706 /nfs/dbraw/zinc/77/17/06/1070771706.db2.gz KPODBKCMRCKETK-IRLDBZIGSA-N 1 0 473.065 3.735 20 0 JHADRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001314656097 1070774578 /nfs/dbraw/zinc/77/45/78/1070774578.db2.gz PCEVEKNIHGUVFU-ATLLOTDBSA-N 1 0 472.634 3.866 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CCCc3ccccc3)nnc2N2CCN(CC(F)(F)F)CC2)CCSC1 ZINC001314657744 1070777262 /nfs/dbraw/zinc/77/72/62/1070777262.db2.gz DUWZROOKQTYDRR-QHCPKHFHSA-N 1 0 496.647 3.575 20 0 JHADRO C[NH+](C)[C@@]1(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H](C(F)F)C2)CCSC1 ZINC001314657898 1070777753 /nfs/dbraw/zinc/77/77/53/1070777753.db2.gz JOOOBLYMNIIDGY-FDDCHVKYSA-N 1 0 465.614 3.818 20 0 JHADRO C[NH+](C)[C@]1(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H](C(F)F)C2)CCSC1 ZINC001314657900 1070777874 /nfs/dbraw/zinc/77/78/74/1070777874.db2.gz JOOOBLYMNIIDGY-MBSDFSHPSA-N 1 0 465.614 3.818 20 0 JHADRO C[NH+](C)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H](C(F)F)C2)CCCC1 ZINC001314658124 1070778374 /nfs/dbraw/zinc/77/83/74/1070778374.db2.gz SBEAMXKTQCTJAK-MRXNPFEDSA-N 1 0 466.602 3.626 20 0 JHADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(Cn2nc(C)cc2C)n1CC[NH+]1CCCCCC1 ZINC001313638205 1070778538 /nfs/dbraw/zinc/77/85/38/1070778538.db2.gz ZCRGDJWRNDDQHM-RUZDIDTESA-N 1 0 479.673 3.884 20 0 JHADRO O=S(=O)(NC[C@H]1CCSC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309468597 1070789049 /nfs/dbraw/zinc/78/90/49/1070789049.db2.gz USZAFBHMTZOWHQ-BVYCBKJFSA-N 1 0 451.057 3.981 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001314663592 1070792327 /nfs/dbraw/zinc/79/23/27/1070792327.db2.gz WRJVNZQJLNSHLM-YJBOKZPZSA-N 1 0 465.440 3.629 20 0 JHADRO Cn1nc(-c2nnc(N3CCCCCCC3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001314667021 1070800935 /nfs/dbraw/zinc/80/09/35/1070800935.db2.gz BGBJMEGZPWWSBT-UHFFFAOYSA-N 1 0 451.619 3.550 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC001314667155 1070800952 /nfs/dbraw/zinc/80/09/52/1070800952.db2.gz HNGVEXKOHPEGTA-QHCPKHFHSA-N 1 0 466.674 3.719 20 0 JHADRO CN(C)c1cccnc1Cn1c(CCOc2ccccc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001314664431 1070794795 /nfs/dbraw/zinc/79/47/95/1070794795.db2.gz UKWLRBKQDDVJKG-UHFFFAOYSA-N 1 0 491.684 3.967 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(C3CCC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001314667564 1070801734 /nfs/dbraw/zinc/80/17/34/1070801734.db2.gz PFTYGORHWVTJBV-UHFFFAOYSA-N 1 0 454.619 3.713 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001314665585 1070797712 /nfs/dbraw/zinc/79/77/12/1070797712.db2.gz DRRQGFAXVWKBKI-QGFMHUBQSA-N 1 0 460.667 3.729 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314666065 1070798460 /nfs/dbraw/zinc/79/84/60/1070798460.db2.gz LQJYTRVCRULNSL-UHFFFAOYSA-N 1 0 486.661 3.545 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001314666376 1070799004 /nfs/dbraw/zinc/79/90/04/1070799004.db2.gz PIJLZYNUMDGKTK-QZTJIDSGSA-N 1 0 480.034 3.926 20 0 JHADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001314666575 1070799563 /nfs/dbraw/zinc/79/95/63/1070799563.db2.gz YBVDLJMADMPTIM-IBGZPJMESA-N 1 0 497.047 3.831 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(OC(C)(C)C)CC2)c1 ZINC001314667850 1070802334 /nfs/dbraw/zinc/80/23/34/1070802334.db2.gz WCWKRYXKOFHHDN-UHFFFAOYSA-N 1 0 491.640 3.819 20 0 JHADRO C[NH+](C)Cc1cccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCCOCC2)c1 ZINC001314667574 1070802374 /nfs/dbraw/zinc/80/23/74/1070802374.db2.gz PRHUTIMIYYIDGX-QHCPKHFHSA-N 1 0 498.672 3.729 20 0 JHADRO CN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)C[NH+](C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001314667667 1070802557 /nfs/dbraw/zinc/80/25/57/1070802557.db2.gz KKXGLAXHZFSLFE-QHCPKHFHSA-N 1 0 482.673 3.849 20 0 JHADRO C[NH+](C)CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC(C)(C)C1 ZINC001314668267 1070804277 /nfs/dbraw/zinc/80/42/77/1070804277.db2.gz CCCPIHNISWTEFT-FYYLOGMGSA-N 1 0 485.673 3.801 20 0 JHADRO CN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC001314668513 1070804548 /nfs/dbraw/zinc/80/45/48/1070804548.db2.gz JAEOPHCLFVJURL-NRFANRHFSA-N 1 0 498.672 3.980 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314669096 1070806705 /nfs/dbraw/zinc/80/67/05/1070806705.db2.gz YAMUWMBFYZSHGS-VQTJNVASSA-N 1 0 478.682 3.596 20 0 JHADRO C[NH+](C)CCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001314670564 1070812138 /nfs/dbraw/zinc/81/21/38/1070812138.db2.gz CJKNIOWEVFJHMQ-XMMPIXPASA-N 1 0 480.053 3.730 20 0 JHADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001313648752 1070817808 /nfs/dbraw/zinc/81/78/08/1070817808.db2.gz XNDCXPVZDZQYJJ-UHFFFAOYSA-N 1 0 495.716 3.508 20 0 JHADRO C[NH+](C)CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](Oc3ccccn3)C2)cc1 ZINC001314671106 1070813232 /nfs/dbraw/zinc/81/32/32/1070813232.db2.gz KXFDWWFYAHNKFQ-QHCPKHFHSA-N 1 0 478.641 3.908 20 0 JHADRO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc(-c2ccccn2)n1CCOCC[NH+](C)C ZINC001314671076 1070813750 /nfs/dbraw/zinc/81/37/50/1070813750.db2.gz OQXHXIJWONXCJT-UHFFFAOYSA-N 1 0 466.483 3.713 20 0 JHADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001314671601 1070815462 /nfs/dbraw/zinc/81/54/62/1070815462.db2.gz MUNTYTBMGTUVSW-JOCHJYFZSA-N 1 0 498.672 3.980 20 0 JHADRO C[NH+](C)CCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC2(CCCC2)C1 ZINC001314671811 1070816110 /nfs/dbraw/zinc/81/61/10/1070816110.db2.gz LLIXVUWVJUWNFF-UHFFFAOYSA-N 1 0 480.078 3.951 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[N@H+](C)C(C)C)CC1 ZINC001313650430 1070822498 /nfs/dbraw/zinc/82/24/98/1070822498.db2.gz LYCHJURVHOYGFL-UHFFFAOYSA-N 1 0 494.644 3.524 20 0 JHADRO CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)cc21 ZINC001309518246 1070823338 /nfs/dbraw/zinc/82/33/38/1070823338.db2.gz KXMYFHQFPYKKEO-LJQANCHMSA-N 1 0 455.624 3.880 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccccc1OC ZINC001313652035 1070828345 /nfs/dbraw/zinc/82/83/45/1070828345.db2.gz ONYPFWMKEYPXEW-TZIWHRDSSA-N 1 0 454.619 3.595 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001313651314 1070826139 /nfs/dbraw/zinc/82/61/39/1070826139.db2.gz DMPFUZKHLSQKMZ-JXFKEZNVSA-N 1 0 481.016 3.517 20 0 JHADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001313653978 1070835412 /nfs/dbraw/zinc/83/54/12/1070835412.db2.gz GJZWEQMTBBKSPR-UHFFFAOYSA-N 1 0 467.662 3.651 20 0 JHADRO CN(c1nnc(-c2ccccn2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314684165 1070840349 /nfs/dbraw/zinc/84/03/49/1070840349.db2.gz DNHLLXIEMKQCTH-RIPCNWKXSA-N 1 0 480.682 3.988 20 0 JHADRO CN(c1nnc(-c2ccccn2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314684164 1070840550 /nfs/dbraw/zinc/84/05/50/1070840550.db2.gz DNHLLXIEMKQCTH-JXNPFXPLSA-N 1 0 480.682 3.988 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001313656760 1070851974 /nfs/dbraw/zinc/85/19/74/1070851974.db2.gz LFXFMIGJEJDSCA-LVCYWYKZSA-N 1 0 498.093 3.815 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOCC2(CCC2)C1 ZINC001313656792 1070852179 /nfs/dbraw/zinc/85/21/79/1070852179.db2.gz LNQQPPPFGYDCMG-INIZCTEOSA-N 1 0 465.440 3.773 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313656883 1070852819 /nfs/dbraw/zinc/85/28/19/1070852819.db2.gz HFFLKRRIVRFYIF-HUUCEWRRSA-N 1 0 499.885 3.910 20 0 JHADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cccc(I)c1 ZINC001309559435 1070856959 /nfs/dbraw/zinc/85/69/59/1070856959.db2.gz RYIGRCQXTHVUTI-UHFFFAOYSA-N 1 0 450.386 3.568 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313659712 1070863684 /nfs/dbraw/zinc/86/36/84/1070863684.db2.gz JKDOZGZVDPBXMS-IRLDBZIGSA-N 1 0 477.657 3.965 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001313658670 1070860194 /nfs/dbraw/zinc/86/01/94/1070860194.db2.gz SVMJUERQTSTGFN-CVEARBPZSA-N 1 0 493.479 3.932 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313659826 1070864514 /nfs/dbraw/zinc/86/45/14/1070864514.db2.gz LNEXKQBULNKSDJ-UYAOXDASSA-N 1 0 472.634 3.787 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC(CC(=O)NC)CC1 ZINC001313659500 1070863069 /nfs/dbraw/zinc/86/30/69/1070863069.db2.gz ILHCWTRRMMGHKP-IBGZPJMESA-N 1 0 463.630 3.576 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2F)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001313660085 1070864757 /nfs/dbraw/zinc/86/47/57/1070864757.db2.gz OBQLGNLFHZZLON-SFHVURJKSA-N 1 0 451.594 3.838 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001313660234 1070865205 /nfs/dbraw/zinc/86/52/05/1070865205.db2.gz OYOOKZXHJHDWOH-XLIONFOSSA-N 1 0 456.616 3.718 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313663071 1070871691 /nfs/dbraw/zinc/87/16/91/1070871691.db2.gz GBMQPNMBCSEPKG-VAMGGRTRSA-N 1 0 464.655 3.744 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313661312 1070867823 /nfs/dbraw/zinc/86/78/23/1070867823.db2.gz DLPQCYREVVYVCX-PCCBWWKXSA-N 1 0 467.662 3.702 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCC(C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC001313663498 1070871982 /nfs/dbraw/zinc/87/19/82/1070871982.db2.gz DRMYRUGUJAUVIH-DEOSSOPVSA-N 1 0 452.647 3.899 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001313663442 1070872003 /nfs/dbraw/zinc/87/20/03/1070872003.db2.gz IRLANOKFBJFUIY-RBBKRZOGSA-N 1 0 483.661 3.809 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnccn2)nnc1N1Cc2ccc(Br)cc2C1 ZINC001313661703 1070868836 /nfs/dbraw/zinc/86/88/36/1070868836.db2.gz HXJLZMATCFEXQX-HNNXBMFYSA-N 1 0 456.392 3.748 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001313661727 1070869020 /nfs/dbraw/zinc/86/90/20/1070869020.db2.gz YPLYZHJXVYLMTR-XDHUDOTRSA-N 1 0 472.996 3.961 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001313661895 1070869405 /nfs/dbraw/zinc/86/94/05/1070869405.db2.gz KHBJJEFKVHPOAK-IRXDYDNUSA-N 1 0 454.575 3.639 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N(C)Cc1ccccc1N1CCOCC1)c1ccco1 ZINC001313663300 1070871155 /nfs/dbraw/zinc/87/11/55/1070871155.db2.gz BYSYNLQINDJVLC-HSZRJFAPSA-N 1 0 452.603 3.736 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N(C)Cc1ccccc1N1CCOCC1)c1ccco1 ZINC001313663301 1070871383 /nfs/dbraw/zinc/87/13/83/1070871383.db2.gz BYSYNLQINDJVLC-QHCPKHFHSA-N 1 0 452.603 3.736 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCCc2c1cnn2C)c1ccccc1 ZINC001313663799 1070874360 /nfs/dbraw/zinc/87/43/60/1070874360.db2.gz IACZHYYUWIJIFI-LADGPHEKSA-N 1 0 492.672 3.747 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCOC[C@H]1C ZINC001313665668 1070880738 /nfs/dbraw/zinc/88/07/38/1070880738.db2.gz GFKVSJCYMKVTTO-DLBZAZTESA-N 1 0 466.424 3.575 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1[C@@H]1CCCO1)c1ccccc1 ZINC001313664227 1070875993 /nfs/dbraw/zinc/87/59/93/1070875993.db2.gz LOAZGJQSTSXWMU-ZRBLBEILSA-N 1 0 468.646 3.647 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccccc2Br)n1CC[N@H+](C)C1CCCC1 ZINC001314706475 1070876297 /nfs/dbraw/zinc/87/62/97/1070876297.db2.gz CGQQRPBZVMXZGC-UHFFFAOYSA-N 1 0 491.478 3.933 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC001313664562 1070877452 /nfs/dbraw/zinc/87/74/52/1070877452.db2.gz MLLBLKIMZNIAHN-ZEQRLZLVSA-N 1 0 454.663 3.786 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1 ZINC001313664852 1070877953 /nfs/dbraw/zinc/87/79/53/1070877953.db2.gz ALOCMFWMUWKURL-ZCNNSNEGSA-N 1 0 464.655 3.696 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001313665000 1070878930 /nfs/dbraw/zinc/87/89/30/1070878930.db2.gz PFRDYRRPKFECEG-QUCCMNQESA-N 1 0 462.042 3.625 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC2(CCC2)C1 ZINC001313665258 1070879671 /nfs/dbraw/zinc/87/96/71/1070879671.db2.gz QFKWTXRAXZZBOU-RTWAWAEBSA-N 1 0 490.693 3.882 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001313665495 1070880365 /nfs/dbraw/zinc/88/03/65/1070880365.db2.gz COFACYGRADJSLT-DGYCAGFBSA-N 1 0 477.675 3.760 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313667598 1070889465 /nfs/dbraw/zinc/88/94/65/1070889465.db2.gz LGHDREALPVHDHJ-UGKGYDQZSA-N 1 0 475.081 3.994 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001313665972 1070882306 /nfs/dbraw/zinc/88/23/06/1070882306.db2.gz FPIRCVKHEIKEGV-SNYIIPAISA-N 1 0 462.038 3.697 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001313666563 1070884529 /nfs/dbraw/zinc/88/45/29/1070884529.db2.gz HAVBWMMITNHMGM-PZJWPPBQSA-N 1 0 459.610 3.979 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001313667825 1070889828 /nfs/dbraw/zinc/88/98/28/1070889828.db2.gz LIXDDEKIIAQTGU-MWTRTKDXSA-N 1 0 495.455 3.753 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314709759 1070885604 /nfs/dbraw/zinc/88/56/04/1070885604.db2.gz IEXKXFNSRDSIKJ-GHTZIAJQSA-N 1 0 498.653 3.506 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001313667024 1070887205 /nfs/dbraw/zinc/88/72/05/1070887205.db2.gz ZXELPUGXHBLDJF-HMNCIZAVSA-N 1 0 492.064 3.964 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCCO2)n1CC1([NH+](C)C)CCC1 ZINC001314710935 1070890033 /nfs/dbraw/zinc/89/00/33/1070890033.db2.gz DAMKCBUKLNJYHN-IBGZPJMESA-N 1 0 461.010 3.732 20 0 JHADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001314710169 1070887831 /nfs/dbraw/zinc/88/78/31/1070887831.db2.gz NMGZXPSVHQQVIW-TZIWHRDSSA-N 1 0 472.634 3.691 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313667730 1070890419 /nfs/dbraw/zinc/89/04/19/1070890419.db2.gz LSKIPWVQMPZACB-GGPKGHCWSA-N 1 0 469.552 3.786 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313668080 1070890911 /nfs/dbraw/zinc/89/09/11/1070890911.db2.gz OKMZFECYAMUDCH-JOCHJYFZSA-N 1 0 470.662 3.591 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001313668716 1070893475 /nfs/dbraw/zinc/89/34/75/1070893475.db2.gz SKXBMVYWKANRFH-VXKWHMMOSA-N 1 0 465.646 3.932 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001313669225 1070893781 /nfs/dbraw/zinc/89/37/81/1070893781.db2.gz UNGSYDNQLSDBAR-XTWGIRIWSA-N 1 0 458.626 3.622 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC001313668926 1070893809 /nfs/dbraw/zinc/89/38/09/1070893809.db2.gz SWODMPMJCODUPB-HXUWFJFHSA-N 1 0 494.688 3.568 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001313669518 1070894915 /nfs/dbraw/zinc/89/49/15/1070894915.db2.gz DFMBUZNEYLULRG-GHTZIAJQSA-N 1 0 467.618 3.683 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001313669893 1070895230 /nfs/dbraw/zinc/89/52/30/1070895230.db2.gz FHFPSWYPNYZIRC-QFIPXVFZSA-N 1 0 496.700 3.837 20 0 JHADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001313670066 1070896168 /nfs/dbraw/zinc/89/61/68/1070896168.db2.gz YYFTXFCRCGHVIW-AJSBUHFISA-N 1 0 457.619 3.581 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(-c2cnccn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314712702 1070896912 /nfs/dbraw/zinc/89/69/12/1070896912.db2.gz UQXIOCKNFFOWSQ-UHFFFAOYSA-N 1 0 483.020 3.585 20 0 JHADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(-c2ccccn2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314713154 1070900595 /nfs/dbraw/zinc/90/05/95/1070900595.db2.gz ZFPPABDIPIFDGH-FQEVSTJZSA-N 1 0 479.972 3.964 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(C2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001313672057 1070902307 /nfs/dbraw/zinc/90/23/07/1070902307.db2.gz MHOWNBAHZNSRDU-MOPGFXCFSA-N 1 0 458.607 3.935 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccsc1 ZINC001313672444 1070903768 /nfs/dbraw/zinc/90/37/68/1070903768.db2.gz OCSFCNNCGUFKEZ-KNQAVFIVSA-N 1 0 496.685 3.573 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(F)(F)CC1)c1ccsc1 ZINC001313672660 1070904951 /nfs/dbraw/zinc/90/49/51/1070904951.db2.gz ABBVYXPMFNQIER-SFHVURJKSA-N 1 0 466.602 3.781 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccco1 ZINC001313674038 1070909886 /nfs/dbraw/zinc/90/98/86/1070909886.db2.gz HVVDMWCHKGZLFN-FQRUVTKNSA-N 1 0 486.661 3.718 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 ZINC001313673369 1070907316 /nfs/dbraw/zinc/90/73/16/1070907316.db2.gz FBVKNSRIGOYCJK-YFNKSVMNSA-N 1 0 468.646 3.565 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N2CCN(c3cnn(C)c3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001313674087 1070910698 /nfs/dbraw/zinc/91/06/98/1070910698.db2.gz IFQKHNQNEQDXMS-HSZRJFAPSA-N 1 0 464.662 3.719 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C)c1ccsc1 ZINC001313674415 1070911963 /nfs/dbraw/zinc/91/19/63/1070911963.db2.gz JCRGCMYVJFJROV-HXUWFJFHSA-N 1 0 496.747 3.580 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCS[C@@H](C)[C@@H]1C)c1ccsc1 ZINC001313674876 1070913540 /nfs/dbraw/zinc/91/35/40/1070913540.db2.gz MASCRVYXFAJGNB-CMKODMSKSA-N 1 0 476.716 3.875 20 0 JHADRO CN(CC(F)(F)F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001314720800 1070916213 /nfs/dbraw/zinc/91/62/13/1070916213.db2.gz VYWOJKAFHOZXFZ-UXHICEINSA-N 1 0 467.536 3.809 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OC)CC1)c1ccco1 ZINC001313675655 1070917397 /nfs/dbraw/zinc/91/73/97/1070917397.db2.gz VJZVWEFRQHPXAM-NRFANRHFSA-N 1 0 482.585 3.518 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccsc1 ZINC001313675726 1070918089 /nfs/dbraw/zinc/91/80/89/1070918089.db2.gz AVGQGEDIJHEOKJ-GCJKJVERSA-N 1 0 484.645 3.820 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001313676271 1070920403 /nfs/dbraw/zinc/92/04/03/1070920403.db2.gz ZBXXRFAQJOPPEV-RTWAWAEBSA-N 1 0 471.627 3.553 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001313676269 1070920577 /nfs/dbraw/zinc/92/05/77/1070920577.db2.gz ZBXXRFAQJOPPEV-LEWJYISDSA-N 1 0 471.627 3.553 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccsc1 ZINC001313676485 1070921159 /nfs/dbraw/zinc/92/11/59/1070921159.db2.gz FBJZPNYQQSXKBP-DENIHFKCSA-N 1 0 460.692 3.893 20 0 JHADRO CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OC)C1)c1ccccc1 ZINC001313676368 1070921315 /nfs/dbraw/zinc/92/13/15/1070921315.db2.gz WQLAOOKDFFLMRA-ZEQRLZLVSA-N 1 0 465.646 3.838 20 0 JHADRO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)cn1 ZINC001313677316 1070924462 /nfs/dbraw/zinc/92/44/62/1070924462.db2.gz OGYKNNVDWISDNX-HXUWFJFHSA-N 1 0 463.630 3.774 20 0 JHADRO CCN(CC)c1ccc(Cn2c(-c3ccccc3OC)nnc2N2CC[N@H+](CC)[C@H](C)C2)cn1 ZINC001313677589 1070926128 /nfs/dbraw/zinc/92/61/28/1070926128.db2.gz VCUUWUZAVWGRDN-HXUWFJFHSA-N 1 0 463.630 3.774 20 0 JHADRO CCN(CC)c1ccc(Cn2c(-c3ccccc3OC)nnc2N2CC[N@H+](CC)[C@@H](C)C2)cn1 ZINC001313677588 1070926193 /nfs/dbraw/zinc/92/61/93/1070926193.db2.gz VCUUWUZAVWGRDN-FQEVSTJZSA-N 1 0 463.630 3.774 20 0 JHADRO CCn1nccc1CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309699914 1070930633 /nfs/dbraw/zinc/93/06/33/1070930633.db2.gz RVYYPWJITXPZSX-XZOQPEGZSA-N 1 0 459.015 3.644 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(C)C1)c1ccccc1 ZINC001313678850 1070932083 /nfs/dbraw/zinc/93/20/83/1070932083.db2.gz OUXSBIRIQILVFK-XZOQPEGZSA-N 1 0 471.671 3.810 20 0 JHADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccco1 ZINC001313679464 1070935580 /nfs/dbraw/zinc/93/55/80/1070935580.db2.gz QQURHMOXUHMIQJ-QUCCMNQESA-N 1 0 478.519 3.708 20 0 JHADRO CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001313683412 1070944171 /nfs/dbraw/zinc/94/41/71/1070944171.db2.gz CXBMBWIYEBLCJR-OAQYLSRUSA-N 1 0 459.660 3.992 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc(-c2cccnc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314730448 1070947230 /nfs/dbraw/zinc/94/72/30/1070947230.db2.gz TVDHAPIXJHWHNY-UHFFFAOYSA-N 1 0 460.051 3.717 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ncn(C)n2)CC1 ZINC001313691728 1070952224 /nfs/dbraw/zinc/95/22/24/1070952224.db2.gz VLUYBINIIODJMC-FQEVSTJZSA-N 1 0 466.634 3.522 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001313691566 1070951444 /nfs/dbraw/zinc/95/14/44/1070951444.db2.gz POCOEWMXPWDCBI-NHCUHLMSSA-N 1 0 468.646 3.624 20 0 JHADRO CN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314731906 1070951653 /nfs/dbraw/zinc/95/16/53/1070951653.db2.gz VVWGEGTZSNNPFZ-CVEARBPZSA-N 1 0 465.048 3.945 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NC(C)C)CC1 ZINC001313691726 1070951969 /nfs/dbraw/zinc/95/19/69/1070951969.db2.gz VHWHSMXISANRPO-OAQYLSRUSA-N 1 0 470.662 3.870 20 0 JHADRO CCn1cc(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC([NH+](CC)CC)CC2)cn1 ZINC001313693349 1070954674 /nfs/dbraw/zinc/95/46/74/1070954674.db2.gz DBWLYEDIPNJAIN-UHFFFAOYSA-N 1 0 467.618 3.538 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001313693473 1070954698 /nfs/dbraw/zinc/95/46/98/1070954698.db2.gz LPTDJKWHAVUCNG-HXUWFJFHSA-N 1 0 485.677 3.830 20 0 JHADRO O=S(=O)([C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)N1CCO[C@@H](CCF)C1 ZINC001309762399 1070957930 /nfs/dbraw/zinc/95/79/30/1070957930.db2.gz VOCLOHXFWLCQMG-RJGXRXQPSA-N 1 0 467.006 3.698 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)SC)CC1 ZINC001313694711 1070957957 /nfs/dbraw/zinc/95/79/57/1070957957.db2.gz JHNPINBZLPHFIN-IBGZPJMESA-N 1 0 472.707 3.514 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001313691799 1070952839 /nfs/dbraw/zinc/95/28/39/1070952839.db2.gz XHARHRFONBCZIB-REHUZNOOSA-N 1 0 451.631 3.768 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Br)s3)n2CCNC(=O)C(C)C)CC1 ZINC001313695476 1070959987 /nfs/dbraw/zinc/95/99/87/1070959987.db2.gz ANEGFEPLAMBUFI-UHFFFAOYSA-N 1 0 497.507 3.852 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CC)CC1 ZINC001313696830 1070964472 /nfs/dbraw/zinc/96/44/72/1070964472.db2.gz JUNWIEPATMKWDS-CPJSRVTESA-N 1 0 478.682 3.822 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001313696069 1070961968 /nfs/dbraw/zinc/96/19/68/1070961968.db2.gz SWLWJNFEYJEVHY-NRFANRHFSA-N 1 0 483.661 3.625 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(=O)N(C)C)CC1 ZINC001313696326 1070962463 /nfs/dbraw/zinc/96/24/63/1070962463.db2.gz GGNRWEVFUCCQSW-UHFFFAOYSA-N 1 0 470.662 3.688 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(NC(C)=O)cc2)CC1 ZINC001313697396 1070966282 /nfs/dbraw/zinc/96/62/82/1070966282.db2.gz ZCJJNDOOUUVQTR-UHFFFAOYSA-N 1 0 461.614 3.852 20 0 JHADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@H]2CCCCO2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314738662 1070970077 /nfs/dbraw/zinc/97/00/77/1070970077.db2.gz DLGDTKYSBHDYMP-JOCHJYFZSA-N 1 0 489.686 3.682 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCC(C)(C)C)CC1 ZINC001313698917 1070971839 /nfs/dbraw/zinc/97/18/39/1070971839.db2.gz FAWYJYKEMZWXCE-UHFFFAOYSA-N 1 0 498.672 3.533 20 0 JHADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CC[C@H](C)C2)CC1 ZINC001313699019 1070972393 /nfs/dbraw/zinc/97/23/93/1070972393.db2.gz QOFZIXFVMJHENE-URXFXBBRSA-N 1 0 496.700 3.901 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C(F)(F)F)C2)c1 ZINC001313699357 1070973973 /nfs/dbraw/zinc/97/39/73/1070973973.db2.gz BRAQLDNAAZDWCV-HXUWFJFHSA-N 1 0 462.520 3.931 20 0 JHADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccccc2C)CC1 ZINC001313701398 1070980196 /nfs/dbraw/zinc/98/01/96/1070980196.db2.gz UESPWMQQWYPQBV-UPVQGACJSA-N 1 0 455.647 3.864 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ncccc2F)C1 ZINC001313701655 1070980545 /nfs/dbraw/zinc/98/05/45/1070980545.db2.gz JDWJNZBODYYDGJ-KRWDZBQOSA-N 1 0 473.984 3.775 20 0 JHADRO CN(Cc1cccc(C(N)=O)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314742136 1070980685 /nfs/dbraw/zinc/98/06/85/1070980685.db2.gz FKHHGQKIBWMMON-MQSCRBSSSA-N 1 0 494.640 3.828 20 0 JHADRO CCC(=O)N1CCc2ccc(S(=O)(=O)N(C)C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)cc21 ZINC001309815592 1070980771 /nfs/dbraw/zinc/98/07/71/1070980771.db2.gz QVPUPBVKEJJMLP-QFIPXVFZSA-N 1 0 455.624 3.661 20 0 JHADRO CC[NH+](CC)Cc1cccc(Cn2c(C3CC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC001313700749 1070978174 /nfs/dbraw/zinc/97/81/74/1070978174.db2.gz ZNPKJVBEVFGNBJ-UHFFFAOYSA-N 1 0 452.647 3.740 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001313701702 1070981294 /nfs/dbraw/zinc/98/12/94/1070981294.db2.gz JRJCDVMALBOMHV-HXUWFJFHSA-N 1 0 456.635 3.663 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCS(C)(=O)=O)C1 ZINC001313701890 1070982021 /nfs/dbraw/zinc/98/20/21/1070982021.db2.gz KZAONRLGBQHXFP-RBUKOAKNSA-N 1 0 493.743 3.734 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cc(C)nn2C)C1 ZINC001313702301 1070983525 /nfs/dbraw/zinc/98/35/25/1070983525.db2.gz OBZWPOYYVUEBAX-SFHVURJKSA-N 1 0 473.572 3.805 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC(=O)N2)C1 ZINC001313702548 1070984202 /nfs/dbraw/zinc/98/42/02/1070984202.db2.gz PCGBSHZAOTUHGU-DENIHFKCSA-N 1 0 452.647 3.689 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001313703041 1070986027 /nfs/dbraw/zinc/98/60/27/1070986027.db2.gz VLUQOYYQVCPYEZ-OAQYLSRUSA-N 1 0 452.647 3.904 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001313703745 1070988059 /nfs/dbraw/zinc/98/80/59/1070988059.db2.gz DUTVUTJGEIIRKJ-SFTDATJTSA-N 1 0 452.647 3.915 20 0 JHADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)C2)s1 ZINC001309831065 1070988761 /nfs/dbraw/zinc/98/87/61/1070988761.db2.gz RYWKEHRDFZAACO-LLVKDONJSA-N 1 0 454.486 3.895 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(CC)C2)cc1 ZINC001313704254 1070989385 /nfs/dbraw/zinc/98/93/85/1070989385.db2.gz JUPYPUVHNAHVEQ-RDGATRHJSA-N 1 0 473.687 3.697 20 0 JHADRO CC[NH+](CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001313704346 1070990654 /nfs/dbraw/zinc/99/06/54/1070990654.db2.gz LHYUQSYCHMLLJJ-JOCHJYFZSA-N 1 0 475.703 3.770 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001313705404 1070993768 /nfs/dbraw/zinc/99/37/68/1070993768.db2.gz RMNZGRXZKQPOMU-UHFFFAOYSA-N 1 0 489.668 3.601 20 0 JHADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001313705813 1070994940 /nfs/dbraw/zinc/99/49/40/1070994940.db2.gz VHKFNKDYZXGLTR-RTBURBONSA-N 1 0 453.660 3.899 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001313707002 1070997460 /nfs/dbraw/zinc/99/74/60/1070997460.db2.gz HTXGUHBOVKBEHJ-SFHVURJKSA-N 1 0 477.535 3.826 20 0 JHADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCSC2(C)C)C1 ZINC001313707703 1070998962 /nfs/dbraw/zinc/99/89/62/1070998962.db2.gz OTMDHOIVVAOSQA-MOPGFXCFSA-N 1 0 471.675 3.625 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC2CC(OC(C)(C)C)C2)C1 ZINC001313708123 1070999599 /nfs/dbraw/zinc/99/95/99/1070999599.db2.gz XHAULXHQHJPHQJ-FUHYEJFZSA-N 1 0 457.667 3.831 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCCO2)C1 ZINC001313708023 1070999618 /nfs/dbraw/zinc/99/96/18/1070999618.db2.gz QNBQEOIGEHLFJV-GMAHTHKFSA-N 1 0 468.646 3.884 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CCOCC2)C1 ZINC001313708278 1071000280 /nfs/dbraw/zinc/00/02/80/1071000280.db2.gz SEMHSEPZNCTQNH-GOTSBHOMSA-N 1 0 485.673 3.745 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCS(=O)(=O)c2ccccc2)C1 ZINC001313708345 1071000367 /nfs/dbraw/zinc/00/03/67/1071000367.db2.gz UMNJEYHRXLPCIP-FQEVSTJZSA-N 1 0 461.676 3.608 20 0 JHADRO COC(=O)c1sc(S(=O)(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1Cl ZINC001309870004 1071000513 /nfs/dbraw/zinc/00/05/13/1071000513.db2.gz AOKQEGHSMTZISU-SJORKVTESA-N 1 0 469.028 3.639 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[C@H](O)C2)C1 ZINC001313708634 1071000691 /nfs/dbraw/zinc/00/06/91/1071000691.db2.gz YFYXUNFVKKPNTJ-LNLFQRSKSA-N 1 0 479.467 3.755 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C3CCCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001313709133 1071001603 /nfs/dbraw/zinc/00/16/03/1071001603.db2.gz CQXOIUGYKYHNJV-PZJWPPBQSA-N 1 0 486.627 3.757 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001313710498 1071004092 /nfs/dbraw/zinc/00/40/92/1071004092.db2.gz FNUNJEXYPDNVPP-UHFFFAOYSA-N 1 0 477.455 3.754 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCOC2)C1 ZINC001313709895 1071003210 /nfs/dbraw/zinc/00/32/10/1071003210.db2.gz TXMHDSVHPULFJJ-RBUKOAKNSA-N 1 0 492.462 3.824 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001313711946 1071007344 /nfs/dbraw/zinc/00/73/44/1071007344.db2.gz JRPXVUVRHLIAAJ-NRFANRHFSA-N 1 0 472.703 3.890 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001313712115 1071007962 /nfs/dbraw/zinc/00/79/62/1071007962.db2.gz SBMKHEQOKKTHSI-IBGZPJMESA-N 1 0 459.038 3.825 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001313713633 1071010933 /nfs/dbraw/zinc/01/09/33/1071010933.db2.gz BCRRKZDTTJJLLX-UHFFFAOYSA-N 1 0 459.038 3.825 20 0 JHADRO CN(Cc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314757093 1071011015 /nfs/dbraw/zinc/01/10/15/1071011015.db2.gz LPENODSTGFVIQU-LJQANCHMSA-N 1 0 465.421 3.702 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(F)cc(F)c(F)c2F)C1 ZINC001313713849 1071011045 /nfs/dbraw/zinc/01/10/45/1071011045.db2.gz VREWJXKEHQPBOF-HOTGVXAUSA-N 1 0 469.527 3.945 20 0 JHADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2Cc2ncccc2N(C)C)C1 ZINC001313713796 1071011083 /nfs/dbraw/zinc/01/10/83/1071011083.db2.gz UXJNKCKGVLEVQF-QFIPXVFZSA-N 1 0 461.658 3.855 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C2CCC1(C)CC2 ZINC001313715768 1071014993 /nfs/dbraw/zinc/01/49/93/1071014993.db2.gz DKHKELGVSATFQC-CMAULLTDSA-N 1 0 476.666 3.840 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313714209 1071011811 /nfs/dbraw/zinc/01/18/11/1071011811.db2.gz HUZHRJOTSHNWKG-IBGZPJMESA-N 1 0 486.617 3.509 20 0 JHADRO CC[NH+](CC)CCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001313714867 1071012941 /nfs/dbraw/zinc/01/29/41/1071012941.db2.gz UVONAFUUTZAHMA-UHFFFAOYSA-N 1 0 482.032 3.688 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(-c2ccc(F)cc2Br)n1CC1([NH+](C)C)CCC1 ZINC001314759911 1071015386 /nfs/dbraw/zinc/01/53/86/1071015386.db2.gz DQRXMXMMRWRLCE-UHFFFAOYSA-N 1 0 476.398 3.701 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2ccccn2)nnc1N1Cc2ccc(Br)cc2C1 ZINC001313717240 1071016799 /nfs/dbraw/zinc/01/67/99/1071016799.db2.gz CNGGQKCUYIXWJD-UHFFFAOYSA-N 1 0 485.430 3.981 20 0 JHADRO CN(Cc1cnn(C)c1)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314761212 1071017933 /nfs/dbraw/zinc/01/79/33/1071017933.db2.gz JEYRCAUEWHMPRE-UHFFFAOYSA-N 1 0 457.573 3.782 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001313717941 1071018030 /nfs/dbraw/zinc/01/80/30/1071018030.db2.gz HFERKLHJQLVDSA-FYYLOGMGSA-N 1 0 459.610 3.603 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cccc(C)n2)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001313718806 1071019211 /nfs/dbraw/zinc/01/92/11/1071019211.db2.gz VQYTVIXCYQCQIB-UHFFFAOYSA-N 1 0 470.568 3.848 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001313718938 1071019455 /nfs/dbraw/zinc/01/94/55/1071019455.db2.gz HNQNDUJMVIDMIV-DYESRHJHSA-N 1 0 493.027 3.615 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001313719035 1071019489 /nfs/dbraw/zinc/01/94/89/1071019489.db2.gz MQRQLJAOWDJAOE-NHCUHLMSSA-N 1 0 492.709 3.986 20 0 JHADRO CC[NH+](CC)CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001313719037 1071019589 /nfs/dbraw/zinc/01/95/89/1071019589.db2.gz MQRQLJAOWDJAOE-SFTDATJTSA-N 1 0 492.709 3.986 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001313719044 1071019644 /nfs/dbraw/zinc/01/96/44/1071019644.db2.gz MXBGXSIWZNERBK-OAQYLSRUSA-N 1 0 478.682 3.645 20 0 JHADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314762308 1071019857 /nfs/dbraw/zinc/01/98/57/1071019857.db2.gz LPQBKJBUVPZATR-YJBOKZPZSA-N 1 0 497.591 3.925 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 ZINC001313718936 1071019719 /nfs/dbraw/zinc/01/97/19/1071019719.db2.gz HLNZNFZBTQQKHE-OAQYLSRUSA-N 1 0 480.657 3.937 20 0 JHADRO CC[NH+](CC)CCCn1c(Cc2csc(C)n2)nnc1N1CCc2ccc(OC)cc2C1 ZINC001313715688 1071015047 /nfs/dbraw/zinc/01/50/47/1071015047.db2.gz HZTUTFAVFZHAHI-UHFFFAOYSA-N 1 0 454.644 3.937 20 0 JHADRO CC[NH+](CC)CCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001313719873 1071021012 /nfs/dbraw/zinc/02/10/12/1071021012.db2.gz SGRKASNMGOLULB-KRWDZBQOSA-N 1 0 459.620 3.598 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001313719898 1071021089 /nfs/dbraw/zinc/02/10/89/1071021089.db2.gz YGTKVJBUGNTPPA-QZTJIDSGSA-N 1 0 477.053 3.596 20 0 JHADRO CC[NH+](CC)CCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C)C1 ZINC001313720251 1071021590 /nfs/dbraw/zinc/02/15/90/1071021590.db2.gz IWPMDLXYOORYCA-OALUTQOASA-N 1 0 461.676 3.715 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001313721899 1071025764 /nfs/dbraw/zinc/02/57/64/1071025764.db2.gz MNNZVRWIYCJQPY-UYAOXDASSA-N 1 0 453.591 3.760 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001313721990 1071025785 /nfs/dbraw/zinc/02/57/85/1071025785.db2.gz VCNFHPCPYCOMKZ-CZAAIQMYSA-N 1 0 466.001 3.852 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001313722325 1071026321 /nfs/dbraw/zinc/02/63/21/1071026321.db2.gz WDDZYGZDLDBPEI-KURKYZTESA-N 1 0 480.451 3.678 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001313721456 1071023856 /nfs/dbraw/zinc/02/38/56/1071023856.db2.gz CHCHBSKOEXECOV-MVYHEMRASA-N 1 0 484.645 3.787 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001313721776 1071025097 /nfs/dbraw/zinc/02/50/97/1071025097.db2.gz JXEAJAQIFRHYPZ-PKTZIBPZSA-N 1 0 495.716 3.553 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001313723725 1071029143 /nfs/dbraw/zinc/02/91/43/1071029143.db2.gz MHANNAFGWDYDCO-ZACQAIPSSA-N 1 0 465.440 3.629 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001313723879 1071029648 /nfs/dbraw/zinc/02/96/48/1071029648.db2.gz IYXGKMVVPPKSTL-SJLPKXTDSA-N 1 0 473.572 3.953 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001313723861 1071029724 /nfs/dbraw/zinc/02/97/24/1071029724.db2.gz WIHJGYPXOYHPHF-HXUWFJFHSA-N 1 0 479.604 3.562 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001313724079 1071030166 /nfs/dbraw/zinc/03/01/66/1071030166.db2.gz PMAGZCPUMJYFNI-MOPGFXCFSA-N 1 0 499.685 3.872 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001313722728 1071027360 /nfs/dbraw/zinc/02/73/60/1071027360.db2.gz BKXRFTWAJZQGPC-WIYYLYMNSA-N 1 0 483.686 3.500 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(F)F)CC1 ZINC001313723123 1071028183 /nfs/dbraw/zinc/02/81/83/1071028183.db2.gz HIAVGTMMBBSWTE-GOSISDBHSA-N 1 0 473.572 3.718 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC001313722967 1071028271 /nfs/dbraw/zinc/02/82/71/1071028271.db2.gz JYGGGCOJKZZNLZ-OAQYLSRUSA-N 1 0 450.631 3.825 20 0 JHADRO CN(Cc1cscn1)c1nnc(COc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314770397 1071032933 /nfs/dbraw/zinc/03/29/33/1071032933.db2.gz IGINZEVOYHVEEU-UHFFFAOYSA-N 1 0 477.034 3.714 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCC1CCOCC1 ZINC001313725902 1071034132 /nfs/dbraw/zinc/03/41/32/1071034132.db2.gz ULUBEASXNMEFJZ-XXBNENTESA-N 1 0 457.619 3.774 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCc3c(F)cc(F)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313726968 1071035637 /nfs/dbraw/zinc/03/56/37/1071035637.db2.gz UGURGDIXCVYTKC-IQGLISFBSA-N 1 0 477.600 3.890 20 0 JHADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 ZINC001309976186 1071035671 /nfs/dbraw/zinc/03/56/71/1071035671.db2.gz VODVNULYNSXNIZ-UHFFFAOYSA-N 1 0 450.027 3.641 20 0 JHADRO CC[NH+](CC)[C@H](C)Cn1c(Nc2ccn(C)n2)nnc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313726927 1071035738 /nfs/dbraw/zinc/03/57/38/1071035738.db2.gz SUYMSIUYSCJFSX-QGZVFWFLSA-N 1 0 460.627 3.600 20 0 JHADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(-c2cnn(C)c2)n1CC[N@H+](C)C1CCCC1 ZINC001314771532 1071036761 /nfs/dbraw/zinc/03/67/61/1071036761.db2.gz VIQXFLPEFYJXGV-UHFFFAOYSA-N 1 0 468.553 3.665 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(CCOc2ccccc2)n1CC[NH+]1CCCCCC1 ZINC001314772962 1071040188 /nfs/dbraw/zinc/04/01/88/1071040188.db2.gz IJCOHVYMGGUZMZ-UHFFFAOYSA-N 1 0 472.037 3.799 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc(-c2cnn(C)c2)n1CC1(SC)CC[NH+](C)CC1 ZINC001313730297 1071044152 /nfs/dbraw/zinc/04/41/52/1071044152.db2.gz RLHLEXFHXXMJIL-UHFFFAOYSA-N 1 0 475.613 3.811 20 0 JHADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001309996480 1071046064 /nfs/dbraw/zinc/04/60/64/1071046064.db2.gz BKNBIJKMKRWEAT-DENIHFKCSA-N 1 0 450.649 3.835 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCCC1 ZINC001313731090 1071046157 /nfs/dbraw/zinc/04/61/57/1071046157.db2.gz OYLWVSHWMGUVLB-OAQYLSRUSA-N 1 0 460.573 3.798 20 0 JHADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCCC1 ZINC001313731087 1071046222 /nfs/dbraw/zinc/04/62/22/1071046222.db2.gz OYLWVSHWMGUVLB-NRFANRHFSA-N 1 0 460.573 3.798 20 0 JHADRO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccccc2F)n1CC[NH+]1CCCCCC1 ZINC001314775620 1071046375 /nfs/dbraw/zinc/04/63/75/1071046375.db2.gz QORRZKBJEXUTDD-UHFFFAOYSA-N 1 0 460.001 3.907 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001313732814 1071050563 /nfs/dbraw/zinc/05/05/63/1071050563.db2.gz HZXHGEGIFALJHE-IBGZPJMESA-N 1 0 465.577 3.823 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C2CCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001313732926 1071051088 /nfs/dbraw/zinc/05/10/88/1071051088.db2.gz HSCHEXNHEFRDMQ-RUZDIDTESA-N 1 0 470.687 3.711 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001313734160 1071053756 /nfs/dbraw/zinc/05/37/56/1071053756.db2.gz MHMBESPUNYHPCK-PZJWPPBQSA-N 1 0 491.677 3.856 20 0 JHADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(Cc2cccnc2)n1CC[NH+]1CCCCCC1 ZINC001313733879 1071052709 /nfs/dbraw/zinc/05/27/09/1071052709.db2.gz MINWJSGFRUCKNP-UHFFFAOYSA-N 1 0 489.668 3.868 20 0 JHADRO CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001313736241 1071057959 /nfs/dbraw/zinc/05/79/59/1071057959.db2.gz IBWGAXLIVARVAQ-OAQYLSRUSA-N 1 0 468.646 3.814 20 0 JHADRO CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001313736620 1071058616 /nfs/dbraw/zinc/05/86/16/1071058616.db2.gz NXUIXMLXIWOFRT-HXUWFJFHSA-N 1 0 456.610 3.831 20 0 JHADRO CN(CC1CC(F)C1)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314784777 1071061645 /nfs/dbraw/zinc/06/16/45/1071061645.db2.gz POPUKMOYCFALAA-RRWXTXHCSA-N 1 0 480.426 3.739 20 0 JHADRO CN(CC1CC(F)C1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314786720 1071063651 /nfs/dbraw/zinc/06/36/51/1071063651.db2.gz VNDWDUHBDPHVDJ-BSBZFNKMSA-N 1 0 496.697 3.670 20 0 JHADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)C1 ZINC001310015636 1071059929 /nfs/dbraw/zinc/05/99/29/1071059929.db2.gz VPIALJKNJVEVEF-OAQYLSRUSA-N 1 0 458.628 3.607 20 0 JHADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@H]2CCCOC2)n1CC[NH+]1CCCCC1 ZINC001313737146 1071060134 /nfs/dbraw/zinc/06/01/34/1071060134.db2.gz ANROJYSLZFEXIX-NRFANRHFSA-N 1 0 457.619 3.702 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCOC[C@H]2CC2CCOCC2)CC1 ZINC001310020126 1071064771 /nfs/dbraw/zinc/06/47/71/1071064771.db2.gz TYXQNZBIVMHGBP-HXUWFJFHSA-N 1 0 451.011 3.531 20 0 JHADRO CCN(Cc1ccccc1C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001313740501 1071065372 /nfs/dbraw/zinc/06/53/72/1071065372.db2.gz CNLGIPIUVHKJKJ-VWLOTQADSA-N 1 0 479.673 3.831 20 0 JHADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001310020873 1071066094 /nfs/dbraw/zinc/06/60/94/1071066094.db2.gz TXPRTYBZDWVQDS-VQTJNVASSA-N 1 0 459.635 3.904 20 0 JHADRO CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313745262 1071073513 /nfs/dbraw/zinc/07/35/13/1071073513.db2.gz AWIFYWNDGKWCMC-JAXLGGSGSA-N 1 0 459.610 3.837 20 0 JHADRO CCN(Cc1cccs1)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001313749485 1071080353 /nfs/dbraw/zinc/08/03/53/1071080353.db2.gz SSZWJRBRAFDWSB-NRFANRHFSA-N 1 0 476.444 3.862 20 0 JHADRO CN(C[C@@H]1CCCCO1)c1nnc(-c2ccccc2Br)n1CCCC[NH+]1CCOCC1 ZINC001314797875 1071076161 /nfs/dbraw/zinc/07/61/61/1071076161.db2.gz GHOMZNNMQLSLQE-IBGZPJMESA-N 1 0 492.462 3.825 20 0 JHADRO CN(C[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC[N@H+]2CC=CCC2)C1)C(=O)OC(C)(C)C ZINC001314800087 1071078833 /nfs/dbraw/zinc/07/88/33/1071078833.db2.gz GJOUVMQWWUWSLH-FCHUYYIVSA-N 1 0 488.677 3.865 20 0 JHADRO CN(C[C@H]1CCCCO1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314803319 1071087034 /nfs/dbraw/zinc/08/70/34/1071087034.db2.gz FURSMOIQFWDJDS-FIXDAVPBSA-N 1 0 465.708 3.639 20 0 JHADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)ccc1Cl ZINC001310055497 1071087558 /nfs/dbraw/zinc/08/75/58/1071087558.db2.gz LFYGLXQZVFOOGE-VQIMIIECSA-N 1 0 459.056 3.955 20 0 JHADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001313753299 1071091149 /nfs/dbraw/zinc/09/11/49/1071091149.db2.gz RBASILZVAQRYHO-FQEVSTJZSA-N 1 0 472.435 3.952 20 0 JHADRO CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(OC(F)F)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001314805826 1071092377 /nfs/dbraw/zinc/09/23/77/1071092377.db2.gz DYIHKCHTGPWEBH-SFHVURJKSA-N 1 0 479.572 3.520 20 0 JHADRO CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(Br)c2)n1CC[N@H+]1CC=CCC1 ZINC001314806097 1071092898 /nfs/dbraw/zinc/09/28/98/1071092898.db2.gz GCGUGLROHMSGQX-GOSISDBHSA-N 1 0 460.420 3.832 20 0 JHADRO CCN(CC1CCC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCC(C)CC1 ZINC001313768287 1071116440 /nfs/dbraw/zinc/11/64/40/1071116440.db2.gz MQTLRLYBTSJACA-JOCHJYFZSA-N 1 0 490.693 3.945 20 0 JHADRO CN(CC1CCOCC1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001314815698 1071122453 /nfs/dbraw/zinc/12/24/53/1071122453.db2.gz PQJCJFWTPOEBDY-LJQANCHMSA-N 1 0 482.456 3.962 20 0 JHADRO CCN(CC1CCC1)c1nnc(COc2cccc(C)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001313769683 1071119431 /nfs/dbraw/zinc/11/94/31/1071119431.db2.gz KGHBHMTXQKUJQH-UHFFFAOYSA-N 1 0 454.663 3.818 20 0 JHADRO CN(CC1CCOCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCCC1 ZINC001314818449 1071128555 /nfs/dbraw/zinc/12/85/55/1071128555.db2.gz NJOURZJFJXCXBW-SZPZYZBQSA-N 1 0 490.693 3.788 20 0 JHADRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cn1 ZINC001310114648 1071126398 /nfs/dbraw/zinc/12/63/98/1071126398.db2.gz XHEGJNFBZGFFOW-CTNGQTDRSA-N 1 0 453.587 3.681 20 0 JHADRO CCCC[N@H+](C)CCNC(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 ZINC001310116658 1071129613 /nfs/dbraw/zinc/12/96/13/1071129613.db2.gz PFQBTWXNRQUBGW-UHFFFAOYSA-N 1 0 455.481 3.921 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCCC1 ZINC001313776957 1071134757 /nfs/dbraw/zinc/13/47/57/1071134757.db2.gz ATJVHUREKZJLJU-JOCHJYFZSA-N 1 0 490.693 3.884 20 0 JHADRO CC(C)Cc1ccc([C@H](CNC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)[NH+](C)C)cc1 ZINC001310131238 1071142452 /nfs/dbraw/zinc/14/24/52/1071142452.db2.gz WFGXYYKSBGVTLO-DEOSSOPVSA-N 1 0 452.599 3.782 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001313780176 1071144283 /nfs/dbraw/zinc/14/42/83/1071144283.db2.gz LAIUSVBORXKICP-VXKWHMMOSA-N 1 0 490.693 3.884 20 0 JHADRO CN(CCC(F)(F)F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001314823521 1071144940 /nfs/dbraw/zinc/14/49/40/1071144940.db2.gz DWFYPUUNKJYYQL-MOPGFXCFSA-N 1 0 464.536 3.528 20 0 JHADRO CCN(C[C@@H]1CCCO1)c1nnc(Cc2ccccc2F)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001313782763 1071148352 /nfs/dbraw/zinc/14/83/52/1071148352.db2.gz YPVPOMHYJLDACI-UNMCSNQZSA-N 1 0 459.610 3.514 20 0 JHADRO CN(CCC(F)F)c1nnc(Cc2ccccn2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001314825200 1071148534 /nfs/dbraw/zinc/14/85/34/1071148534.db2.gz KBXZIBGOHJCFFK-JOCHJYFZSA-N 1 0 470.568 3.646 20 0 JHADRO CCOCCCNC(=O)c1cccc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC001310140690 1071148636 /nfs/dbraw/zinc/14/86/36/1071148636.db2.gz SSPPITBBCHVDAM-OAQYLSRUSA-N 1 0 452.599 3.971 20 0 JHADRO CCN(C[C@H]1CCCO1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@@H+]1CC ZINC001313782721 1071148592 /nfs/dbraw/zinc/14/85/92/1071148592.db2.gz KAKUNYWVGPMXRI-NJYVYQBISA-N 1 0 476.666 3.840 20 0 JHADRO CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCCC2)C1)CC(F)(F)F ZINC001313784814 1071156114 /nfs/dbraw/zinc/15/61/14/1071156114.db2.gz HKHNMYVVXHUDSA-HKBOAZHASA-N 1 0 486.627 3.962 20 0 JHADRO NC(=O)CCOc1ccccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001310161996 1071168511 /nfs/dbraw/zinc/16/85/11/1071168511.db2.gz VPQPWSHBCNRKGQ-UHFFFAOYSA-N 1 0 450.583 3.993 20 0 JHADRO 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CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313790737 1071184577 /nfs/dbraw/zinc/18/45/77/1071184577.db2.gz RZEPSHSIBQSDGQ-IRLDBZIGSA-N 1 0 452.647 3.809 20 0 JHADRO CN(CCC1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314840711 1071188453 /nfs/dbraw/zinc/18/84/53/1071188453.db2.gz KLKKIPYPTIPPOC-OAQYLSRUSA-N 1 0 488.702 3.643 20 0 JHADRO CN(CCC1CCOCC1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001314842005 1071191314 /nfs/dbraw/zinc/19/13/14/1071191314.db2.gz RNWGQBJWGDSKCG-FQEVSTJZSA-N 1 0 480.028 3.837 20 0 JHADRO CN(CCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC001314845412 1071200861 /nfs/dbraw/zinc/20/08/61/1071200861.db2.gz NCEPTDGWXHXLLB-UHFFFAOYSA-N 1 0 471.650 3.985 20 0 JHADRO CN(CCCn1c(-c2cnccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1F ZINC001314846066 1071202308 /nfs/dbraw/zinc/20/23/08/1071202308.db2.gz WKILCTKOXMEETC-UHFFFAOYSA-N 1 0 466.609 3.711 20 0 JHADRO 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CC[N@H+](CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)C(C)C ZINC001313822992 1071287650 /nfs/dbraw/zinc/28/76/50/1071287650.db2.gz VPANRUXQFRMLEW-JOCHJYFZSA-N 1 0 479.673 3.705 20 0 JHADRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC001313823226 1071288297 /nfs/dbraw/zinc/28/82/97/1071288297.db2.gz YSCYHRRHHNEXQW-UHFFFAOYSA-N 1 0 466.552 3.786 20 0 JHADRO CN(CCOC(C)(C)C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314877022 1071294562 /nfs/dbraw/zinc/29/45/62/1071294562.db2.gz DVDCVWSGDJVRRG-UHFFFAOYSA-N 1 0 460.623 3.522 20 0 JHADRO CC[N@H+](CCn1c([C@H]2CCCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1)CCC(F)(F)F ZINC001313826543 1071296348 /nfs/dbraw/zinc/29/63/48/1071296348.db2.gz LEVOKMPGMYCHSP-DENIHFKCSA-N 1 0 485.526 3.641 20 0 JHADRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(F)cc3OCC(F)(F)F)cn2)CC1 ZINC001310316901 1071299281 /nfs/dbraw/zinc/29/92/81/1071299281.db2.gz PQLMURWPEJZQPH-UHFFFAOYSA-N 1 0 455.456 3.625 20 0 JHADRO CC[N@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@@H]1C)C1CC1 ZINC001313827453 1071299423 /nfs/dbraw/zinc/29/94/23/1071299423.db2.gz WUCUFRKCXBQSIU-HKUYNNGSSA-N 1 0 464.680 3.776 20 0 JHADRO CN(CCOc1ccc(Cl)cc1)c1nnc(Cc2ccncc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314879159 1071299899 /nfs/dbraw/zinc/29/98/99/1071299899.db2.gz CECBLCFZWMKKHX-UHFFFAOYSA-N 1 0 485.032 3.543 20 0 JHADRO CN(CCOc1ccccc1Cl)c1nnc(C(=O)N2CCCC2)n1CC[N@H+](C)C1CCCCC1 ZINC001314882256 1071308404 /nfs/dbraw/zinc/30/84/04/1071308404.db2.gz OHZAJPBGPKYBAW-UHFFFAOYSA-N 1 0 489.064 3.947 20 0 JHADRO CCn1cc(C2CCN(c3nnc(CC(C)C)n3CC3(SC)CC[NH+](C)CC3)CC2)cn1 ZINC001313832461 1071306487 /nfs/dbraw/zinc/30/64/87/1071306487.db2.gz KRGXDIOVHYINLG-UHFFFAOYSA-N 1 0 459.708 3.904 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2([NH+](C)C)CCC2)cn1 ZINC001313834086 1071310263 /nfs/dbraw/zinc/31/02/63/1071310263.db2.gz BOVIHBAXNDZEIH-SFHVURJKSA-N 1 0 455.582 3.894 20 0 JHADRO CN(CCS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001314885979 1071314671 /nfs/dbraw/zinc/31/46/71/1071314671.db2.gz JVYXQLWWQLZJNL-NRFANRHFSA-N 1 0 480.078 3.876 20 0 JHADRO CCn1cc([C@H]2CN(c3nnc(Cc4ccccc4F)n3CC[NH+](C(C)C)C(C)C)CCO2)cn1 ZINC001313837864 1071320747 /nfs/dbraw/zinc/32/07/47/1071320747.db2.gz WHZYKJJXOIDWSY-XMMPIXPASA-N 1 0 483.636 3.921 20 0 JHADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1CC(=O)NC1CCCCC1 ZINC001314893481 1071324618 /nfs/dbraw/zinc/32/46/18/1071324618.db2.gz RIUDDWXLCKCAHJ-NBGIEHNGSA-N 1 0 498.720 3.568 20 0 JHADRO CCn1cc(CN(C)c2nnc(Cc3ccccc3F)n2CC2(SC)CC[NH+](C)CC2)cn1 ZINC001313840490 1071324584 /nfs/dbraw/zinc/32/45/84/1071324584.db2.gz KETGBJWFEHVEKZ-UHFFFAOYSA-N 1 0 471.650 3.688 20 0 JHADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(C2CCC2)n1CC(F)(F)Br ZINC001314893789 1071324962 /nfs/dbraw/zinc/32/49/62/1071324962.db2.gz UIKXDVBJQKUIKK-DOTOQJQBSA-N 1 0 486.409 3.786 20 0 JHADRO CCn1cc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC001313840737 1071324999 /nfs/dbraw/zinc/32/49/99/1071324999.db2.gz MFUWHUHKHNCHDO-HSZRJFAPSA-N 1 0 462.577 3.559 20 0 JHADRO CCn1cc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](c2ccco2)[NH+](C)C)cn1 ZINC001313841121 1071325365 /nfs/dbraw/zinc/32/53/65/1071325365.db2.gz RDOFILPXRWLCRJ-OAQYLSRUSA-N 1 0 451.550 3.757 20 0 JHADRO CCn1cc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)cn1 ZINC001313838170 1071321367 /nfs/dbraw/zinc/32/13/67/1071321367.db2.gz MDAKPAZUWXEGHN-GOTSBHOMSA-N 1 0 467.618 3.684 20 0 JHADRO CN(OC1CCCC1)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+](C)C)CCCCC1 ZINC001314892725 1071322778 /nfs/dbraw/zinc/32/27/78/1071322778.db2.gz NVDOITJRTTTZNZ-UHFFFAOYSA-N 1 0 460.648 3.845 20 0 JHADRO CCOC(=O)c1cc(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc(C(=O)OCC)c1 ZINC001310340335 1071323420 /nfs/dbraw/zinc/32/34/20/1071323420.db2.gz KUKZRQVTPDYKRZ-JOCHJYFZSA-N 1 0 453.539 3.778 20 0 JHADRO Cn1cc(Br)cc1-c1nnc(N2CCOCC2)n1CCCCC[NH+]1CCCCC1 ZINC001314896155 1071330035 /nfs/dbraw/zinc/33/00/35/1071330035.db2.gz XAVWZLRVRUYZCW-UHFFFAOYSA-N 1 0 465.440 3.539 20 0 JHADRO Cc1ccc(S(=O)(=O)C2CCN(C(=O)Nc3ccc(C)cc3OCC[NH+](C)C)CC2)cc1 ZINC001310354871 1071333698 /nfs/dbraw/zinc/33/36/98/1071333698.db2.gz ZOXHYCRFZLZCPJ-UHFFFAOYSA-N 1 0 459.612 3.714 20 0 JHADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)Nc1c(F)cc(Br)cc1F ZINC001310360574 1071338413 /nfs/dbraw/zinc/33/84/13/1071338413.db2.gz IXWPRTVJDPEQOF-UHFFFAOYSA-N 1 0 453.331 3.667 20 0 JHADRO Cn1cc(Nc2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)cn1 ZINC001314906033 1071344232 /nfs/dbraw/zinc/34/42/32/1071344232.db2.gz ATUPVZXZNCLFSE-UHFFFAOYSA-N 1 0 450.037 3.750 20 0 JHADRO Cn1cccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cccnc1OCC(F)F ZINC001314917314 1071359745 /nfs/dbraw/zinc/35/97/45/1071359745.db2.gz GRZZBYMQBGZXFL-UHFFFAOYSA-N 1 0 473.572 3.681 20 0 JHADRO Cn1cc(Br)cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1=O ZINC001310387899 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/nfs/dbraw/zinc/39/81/25/1071398125.db2.gz LZFAWCWQUUHSGT-MOPGFXCFSA-N 1 0 489.686 3.793 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC(F)(F)F)C[C@H]1C ZINC001313867155 1071398811 /nfs/dbraw/zinc/39/88/11/1071398811.db2.gz MCMTVCJIXNQABT-CVEARBPZSA-N 1 0 471.524 3.808 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001313868637 1071405545 /nfs/dbraw/zinc/40/55/45/1071405545.db2.gz VNECOGHANQUKRR-SFTDATJTSA-N 1 0 464.614 3.641 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@](C)(OC)C2CC2)C[C@H]1C ZINC001313867572 1071400594 /nfs/dbraw/zinc/40/05/94/1071400594.db2.gz KFKUUJVBNUBWSZ-GOHWNWGWSA-N 1 0 455.647 3.806 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001313867747 1071401515 /nfs/dbraw/zinc/40/15/15/1071401515.db2.gz AOTCCQMXNBYDTK-DLBZAZTESA-N 1 0 475.439 3.632 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314945220 1071401981 /nfs/dbraw/zinc/40/19/81/1071401981.db2.gz IGDTZMFIFKCRCR-HTAPYJJXSA-N 1 0 477.638 3.676 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2CCSCCCO)C[C@H]1C ZINC001313868549 1071404422 /nfs/dbraw/zinc/40/44/22/1071404422.db2.gz BSPSDWCPMUIJSP-IAGOWNOFSA-N 1 0 482.492 3.742 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(O)CCC2)C[C@H]1C ZINC001313869715 1071410041 /nfs/dbraw/zinc/41/00/41/1071410041.db2.gz PUQDYLQXQJXCJT-UXHICEINSA-N 1 0 490.693 3.617 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCSCC(C)C)C[C@H]1C ZINC001313869414 1071408261 /nfs/dbraw/zinc/40/82/61/1071408261.db2.gz PNCUZBKRYLMHDE-UXHICEINSA-N 1 0 455.676 3.825 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314949962 1071416024 /nfs/dbraw/zinc/41/60/24/1071416024.db2.gz WGROGHWHXPJODW-DVECYGJZSA-N 1 0 492.672 3.664 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC001313871783 1071418162 /nfs/dbraw/zinc/41/81/62/1071418162.db2.gz HLYUFJTTZNKCJH-ZWKOTPCHSA-N 1 0 455.006 3.893 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001314950822 1071418884 /nfs/dbraw/zinc/41/88/84/1071418884.db2.gz ZMGFGFXKAUIPON-LPHOPBHVSA-N 1 0 479.467 3.502 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001314950820 1071418987 /nfs/dbraw/zinc/41/89/87/1071418987.db2.gz ZMGFGFXKAUIPON-APWZRJJASA-N 1 0 479.467 3.502 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNC(=O)C(C)C)C[C@@H]1C ZINC001313871956 1071419998 /nfs/dbraw/zinc/41/99/98/1071419998.db2.gz VYBGSCGCTDIWOI-ROUUACIJSA-N 1 0 477.053 3.688 20 0 JHADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 ZINC001310478820 1071420889 /nfs/dbraw/zinc/42/08/89/1071420889.db2.gz OKWZTLYODFMDQP-NFBKMPQASA-N 1 0 451.546 3.978 20 0 JHADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2Cc2cc(OC)ccc2OC(F)F)C[C@@H]1C ZINC001313872248 1071420944 /nfs/dbraw/zinc/42/09/44/1071420944.db2.gz IXZZMCTWFZSNBQ-ZWKOTPCHSA-N 1 0 486.567 3.841 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccc(C(F)F)n2)C[C@@H]1C ZINC001313871551 1071417423 /nfs/dbraw/zinc/41/74/23/1071417423.db2.gz UJZXGAVLKMJGHT-HOTGVXAUSA-N 1 0 487.555 3.657 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314952578 1071423166 /nfs/dbraw/zinc/42/31/66/1071423166.db2.gz KUPMICYJKSENQN-YADARESESA-N 1 0 479.673 3.766 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC001313873242 1071424799 /nfs/dbraw/zinc/42/47/99/1071424799.db2.gz KJQIYGAOJNCWBS-ROUUACIJSA-N 1 0 456.541 3.833 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001314953608 1071425119 /nfs/dbraw/zinc/42/51/19/1071425119.db2.gz WEUSKPHIMXPQMV-ZWKOTPCHSA-N 1 0 491.478 3.790 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@@H+]1CCC[C@H]1C ZINC001314953671 1071426053 /nfs/dbraw/zinc/42/60/53/1071426053.db2.gz XVXZKOIFWJKKKD-HUUCEWRRSA-N 1 0 497.869 3.664 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001313874711 1071430498 /nfs/dbraw/zinc/43/04/98/1071430498.db2.gz JTBVYMJXPCYHNP-UXHICEINSA-N 1 0 480.613 3.545 20 0 JHADRO CC(C)[N@@H+](Cc1ccc(NC(=O)NCc2ccc(CC(N)=O)cc2)cc1)C[C@H]1CCCCO1 ZINC001310491366 1071430695 /nfs/dbraw/zinc/43/06/95/1071430695.db2.gz UPGCDHIJXDXQQH-XMMPIXPASA-N 1 0 452.599 3.816 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2(COC)CCOCC2)C[C@H]1C ZINC001313874960 1071431387 /nfs/dbraw/zinc/43/13/87/1071431387.db2.gz PKDJRPYPSXYURG-MOPGFXCFSA-N 1 0 477.600 3.509 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313875135 1071432763 /nfs/dbraw/zinc/43/27/63/1071432763.db2.gz LHIXSNJLRQQBMC-SFTDATJTSA-N 1 0 464.614 3.845 20 0 JHADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccccc2C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314959608 1071432866 /nfs/dbraw/zinc/43/28/66/1071432866.db2.gz YETFUVULYKNHDG-FPOVZHCZSA-N 1 0 454.663 3.506 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001313876378 1071437373 /nfs/dbraw/zinc/43/73/73/1071437373.db2.gz OJKJBTIJARQBLE-SJORKVTESA-N 1 0 497.471 3.998 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001313876473 1071438149 /nfs/dbraw/zinc/43/81/49/1071438149.db2.gz KQCAKIIUEPTRPA-KRWDZBQOSA-N 1 0 468.067 3.590 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313876515 1071438192 /nfs/dbraw/zinc/43/81/92/1071438192.db2.gz PBRVDGLJCIHKKR-SFTDATJTSA-N 1 0 486.661 3.918 20 0 JHADRO CCN1C[C@H](CN(C)c2nnc(-c3cccn3C)n2C[C@@H](CC(C)C)[NH+](C)C)Oc2ccccc21 ZINC001313876790 1071438940 /nfs/dbraw/zinc/43/89/40/1071438940.db2.gz OLIMUZLXJCFGIE-YADHBBJMSA-N 1 0 479.673 3.984 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC001313876621 1071439258 /nfs/dbraw/zinc/43/92/58/1071439258.db2.gz VAGKVGQFNLYEHQ-QHAWAJNXSA-N 1 0 483.661 3.906 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001313875833 1071436105 /nfs/dbraw/zinc/43/61/05/1071436105.db2.gz FGNBIWCCBVWWMQ-UHFFFAOYSA-N 1 0 477.028 3.965 20 0 JHADRO CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[NH+]1CCCCCC1 ZINC001314963966 1071441780 /nfs/dbraw/zinc/44/17/80/1071441780.db2.gz LPGRUDFRLDAHFO-QGZVFWFLSA-N 1 0 497.471 3.858 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001313877878 1071443145 /nfs/dbraw/zinc/44/31/45/1071443145.db2.gz ZBEZFDUAQAAMSJ-NIYFSFCBSA-N 1 0 486.636 3.642 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001313877880 1071443178 /nfs/dbraw/zinc/44/31/78/1071443178.db2.gz ZBEZFDUAQAAMSJ-SIBVEZHUSA-N 1 0 486.636 3.642 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccc(Cl)cc3OC)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001313877822 1071443192 /nfs/dbraw/zinc/44/31/92/1071443192.db2.gz YBNDDJAMWMFRRM-KRWDZBQOSA-N 1 0 477.053 3.547 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C[C@@H]1C ZINC001313878257 1071443798 /nfs/dbraw/zinc/44/37/98/1071443798.db2.gz WDIZOCUYKWCQIK-JAXLGGSGSA-N 1 0 485.677 3.732 20 0 JHADRO CC[NH+]1CCC(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313880201 1071451852 /nfs/dbraw/zinc/45/18/52/1071451852.db2.gz QMVUPSQOQKXMJB-QFIPXVFZSA-N 1 0 491.677 3.856 20 0 JHADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc([C@@H]2CCOC2)n1CCC1CC[NH+](CC)CC1 ZINC001313880250 1071451894 /nfs/dbraw/zinc/45/18/94/1071451894.db2.gz RPUVZUZZAGYHLD-RPWUZVMVSA-N 1 0 455.647 3.772 20 0 JHADRO CCn1nc(-c2nnc(N(C)CC(F)(F)F)n2CCC2CC[NH+](CC)CC2)c2ccccc2c1=O ZINC001313880468 1071452563 /nfs/dbraw/zinc/45/25/63/1071452563.db2.gz VCYMXLXVDIILNF-UHFFFAOYSA-N 1 0 491.562 3.795 20 0 JHADRO CC[NH+]1CCC(CCn2c(-c3ccccc3OC)nnc2N2CCC(NC(=O)C(C)C)CC2)CC1 ZINC001313880645 1071452568 /nfs/dbraw/zinc/45/25/68/1071452568.db2.gz KNLYXSLSIWIQHL-UHFFFAOYSA-N 1 0 482.673 3.817 20 0 JHADRO CC[NH+]1CCC(CCn2c(N(C)Cc3ccoc3C)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001313881002 1071453995 /nfs/dbraw/zinc/45/39/95/1071453995.db2.gz FIOMMAMNKPVTFF-VWLOTQADSA-N 1 0 459.635 3.979 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001314968078 1071454228 /nfs/dbraw/zinc/45/42/28/1071454228.db2.gz BTEJYLXXPHWIAD-WXTAPIANSA-N 1 0 495.697 3.726 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2CCCc2cnn(C)c2)C[C@@H]1C ZINC001313882419 1071458246 /nfs/dbraw/zinc/45/82/46/1071458246.db2.gz FTIUQKKPKBUYIV-PMACEKPBSA-N 1 0 483.686 3.864 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@H]2C)C[C@@H]1C ZINC001313882678 1071458313 /nfs/dbraw/zinc/45/83/13/1071458313.db2.gz GCOSOPDLJKBTSZ-PGNAZXSPSA-N 1 0 490.693 3.519 20 0 JHADRO CC[NH+]1CCC(CCn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2cc(Cl)ccn2)CC1 ZINC001313882643 1071459085 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/nfs/dbraw/zinc/46/50/61/1071465061.db2.gz RPANMLKRECRWOF-SFHVURJKSA-N 1 0 485.539 3.505 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](OC)C(C)(C)C)C[C@H]1C ZINC001313885397 1071466314 /nfs/dbraw/zinc/46/63/14/1071466314.db2.gz OWGFONRKOCIDQQ-DXIQSLLYSA-N 1 0 459.635 3.846 20 0 JHADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H](OC)C(C)(C)C)C[C@@H]1C ZINC001313885395 1071466545 /nfs/dbraw/zinc/46/65/45/1071466545.db2.gz OWGFONRKOCIDQQ-CNNODRBYSA-N 1 0 459.635 3.846 20 0 JHADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001313885179 1071466571 /nfs/dbraw/zinc/46/65/71/1071466571.db2.gz XXHNHGABMSMPSO-IAGOWNOFSA-N 1 0 476.000 3.922 20 0 JHADRO CNC(=O)c1ccc(CN(C)c2nnc(-c3cccn3C)n2CC[N@H+](C)C2CCCCC2)cc1 ZINC001314976250 1071468248 /nfs/dbraw/zinc/46/82/48/1071468248.db2.gz JQALQKHGVFYKOA-UHFFFAOYSA-N 1 0 463.630 3.544 20 0 JHADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001314976439 1071468980 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ZINC001315001640 1071525351 /nfs/dbraw/zinc/52/53/51/1071525351.db2.gz URZUNLXIKZMSPY-IQGLISFBSA-N 1 0 456.610 3.557 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1nc(CCOC)no1 ZINC001313905704 1071522067 /nfs/dbraw/zinc/52/20/67/1071522067.db2.gz QONPNUUMPIRBMH-LJQANCHMSA-N 1 0 474.009 3.681 20 0 JHADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313905945 1071522688 /nfs/dbraw/zinc/52/26/88/1071522688.db2.gz WHTUFNYZUHWMEO-NLFFAJNJSA-N 1 0 457.619 3.745 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001313906842 1071525825 /nfs/dbraw/zinc/52/58/25/1071525825.db2.gz SAEARAMCXSBWHB-LJQANCHMSA-N 1 0 466.552 3.946 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001313907315 1071527241 /nfs/dbraw/zinc/52/72/41/1071527241.db2.gz BRRLYADSDLVUGV-IRXDYDNUSA-N 1 0 498.981 3.978 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cc(C)on1 ZINC001313907539 1071528047 /nfs/dbraw/zinc/52/80/47/1071528047.db2.gz HPKSMQJXIRNICX-IBGZPJMESA-N 1 0 454.575 3.770 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C)C1 ZINC001313907573 1071528105 /nfs/dbraw/zinc/52/81/05/1071528105.db2.gz IHTGNJGKXGLKEC-RDJZCZTQSA-N 1 0 466.399 3.946 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cc(C)on1 ZINC001313907540 1071528210 /nfs/dbraw/zinc/52/82/10/1071528210.db2.gz HPKSMQJXIRNICX-LJQANCHMSA-N 1 0 454.575 3.770 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)F)CC1 ZINC001313908823 1071531115 /nfs/dbraw/zinc/53/11/15/1071531115.db2.gz OZVZZJLYFIIYKU-QGZVFWFLSA-N 1 0 470.971 3.999 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001313907825 1071528626 /nfs/dbraw/zinc/52/86/26/1071528626.db2.gz BXLOXFGINSQVQV-HSZRJFAPSA-N 1 0 460.711 3.680 20 0 JHADRO CNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001315003132 1071528659 /nfs/dbraw/zinc/52/86/59/1071528659.db2.gz PSPVLRMCBHZORN-DEOSSOPVSA-N 1 0 482.673 3.557 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313908379 1071530086 /nfs/dbraw/zinc/53/00/86/1071530086.db2.gz NEJZCKWEOSUXMK-QUCCMNQESA-N 1 0 486.642 3.566 20 0 JHADRO CNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001315004742 1071531654 /nfs/dbraw/zinc/53/16/54/1071531654.db2.gz QZYFCFJXCAWEQK-OALUTQOASA-N 1 0 472.703 3.649 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313909237 1071532331 /nfs/dbraw/zinc/53/23/31/1071532331.db2.gz PZYWCJUBXQVLOY-PKTZIBPZSA-N 1 0 482.673 3.946 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 ZINC001313910817 1071536443 /nfs/dbraw/zinc/53/64/43/1071536443.db2.gz HNBYUAFBMOTZEG-HBMCJLEFSA-N 1 0 476.666 3.697 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001313910099 1071534533 /nfs/dbraw/zinc/53/45/33/1071534533.db2.gz UYGRLCPRLIDNLR-WMQCIHAUSA-N 1 0 492.462 3.822 20 0 JHADRO CNC(=O)CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001315016394 1071536724 /nfs/dbraw/zinc/53/67/24/1071536724.db2.gz IYLWWMXSTYRYCX-OAQYLSRUSA-N 1 0 484.689 3.975 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001315016921 1071537174 /nfs/dbraw/zinc/53/71/74/1071537174.db2.gz MTIJANPHCQKZDY-QGZVFWFLSA-N 1 0 489.462 3.544 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313911045 1071537161 /nfs/dbraw/zinc/53/71/61/1071537161.db2.gz YTQHBBWDGNWDCJ-GOSISDBHSA-N 1 0 477.053 3.832 20 0 JHADRO CNC(=O)CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001315017383 1071537705 /nfs/dbraw/zinc/53/77/05/1071537705.db2.gz SEBJJIZJICQGAQ-IBGZPJMESA-N 1 0 489.064 3.910 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001315021152 1071542151 /nfs/dbraw/zinc/54/21/51/1071542151.db2.gz JJMUUTAMLAMKHW-UHFFFAOYSA-N 1 0 475.641 3.581 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001315024914 1071548103 /nfs/dbraw/zinc/54/81/03/1071548103.db2.gz VKYUGMVISJARHI-QFIPXVFZSA-N 1 0 496.681 3.594 20 0 JHADRO CCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC001313914003 1071545552 /nfs/dbraw/zinc/54/55/52/1071545552.db2.gz ORNVFUFMEWMTGJ-DENIHFKCSA-N 1 0 486.636 3.736 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001315024910 1071548119 /nfs/dbraw/zinc/54/81/19/1071548119.db2.gz VKYUGMVISJARHI-JOCHJYFZSA-N 1 0 496.681 3.594 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313914116 1071545992 /nfs/dbraw/zinc/54/59/92/1071545992.db2.gz RLLRUTDIPYFERA-FGZHOGPDSA-N 1 0 468.646 3.738 20 0 JHADRO CCN1CCCN(c2nnc(C3(c4ccccc4)CCC3)n2CC[N@H+](CC)C(C)C)CC1=O ZINC001313913292 1071542820 /nfs/dbraw/zinc/54/28/20/1071542820.db2.gz KYCNDTGYXJXQHT-UHFFFAOYSA-N 1 0 452.647 3.537 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)C[NH+]2CCCCC2)CC1=O ZINC001313913261 1071542955 /nfs/dbraw/zinc/54/29/55/1071542955.db2.gz LEZXLEZZBDBUAL-SFHVURJKSA-N 1 0 477.028 3.918 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(C)(C)C ZINC001313914661 1071547989 /nfs/dbraw/zinc/54/79/89/1071547989.db2.gz SOPJWAYSXHZGMF-OAQYLSRUSA-N 1 0 454.667 3.809 20 0 JHADRO CNC(=O)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001315025240 1071549307 /nfs/dbraw/zinc/54/93/07/1071549307.db2.gz ZECXNZSLTCITPI-HXUWFJFHSA-N 1 0 454.663 3.740 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001313915124 1071549981 /nfs/dbraw/zinc/54/99/81/1071549981.db2.gz PWCXTGJOZNYYOJ-UNMCSNQZSA-N 1 0 484.689 3.847 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCC(C)CC2)CC1=O ZINC001313916803 1071553704 /nfs/dbraw/zinc/55/37/04/1071553704.db2.gz LVQPBURCVQWFKS-UHFFFAOYSA-N 1 0 495.491 3.560 20 0 JHADRO CCN1CCCN(c2nnc(-c3ccccc3OC)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1=O ZINC001313915780 1071551520 /nfs/dbraw/zinc/55/15/20/1071551520.db2.gz LIUUVMCNGFYVHL-VXKWHMMOSA-N 1 0 482.673 3.770 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccccc2Cl)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001315026866 1071552878 /nfs/dbraw/zinc/55/28/78/1071552878.db2.gz IUTNEVPRPUBCJO-UHFFFAOYSA-N 1 0 491.105 3.923 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001313916495 1071553169 /nfs/dbraw/zinc/55/31/69/1071553169.db2.gz YFNORJJHPBNZKD-IEBWSBKVSA-N 1 0 477.078 3.765 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313919380 1071557138 /nfs/dbraw/zinc/55/71/38/1071557138.db2.gz AKFCNJMGTPOGQG-OALUTQOASA-N 1 0 492.510 3.699 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001315029080 1071557314 /nfs/dbraw/zinc/55/73/14/1071557314.db2.gz QESMVMXWXHQZPK-FQEVSTJZSA-N 1 0 489.462 3.687 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001313919709 1071557576 /nfs/dbraw/zinc/55/75/76/1071557576.db2.gz FMFGAIUGJWCAQY-MOPGFXCFSA-N 1 0 492.510 3.934 20 0 JHADRO CNC(=O)CCCN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315030971 1071559827 /nfs/dbraw/zinc/55/98/27/1071559827.db2.gz YIHOEMIMEOYTCA-GOSISDBHSA-N 1 0 476.616 3.620 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2ccon2)CC1 ZINC001313921578 1071562587 /nfs/dbraw/zinc/56/25/87/1071562587.db2.gz QLFSMQKYNHYGLZ-RTBURBONSA-N 1 0 488.036 3.722 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CCC2)CC1 ZINC001313922580 1071564996 /nfs/dbraw/zinc/56/49/96/1071564996.db2.gz WZOXKWFHZYHITI-MRXNPFEDSA-N 1 0 479.442 3.861 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313922324 1071563759 /nfs/dbraw/zinc/56/37/59/1071563759.db2.gz VNJSSGRSKWPUMA-LJQANCHMSA-N 1 0 482.629 3.526 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2cccs2)CC1 ZINC001313922389 1071564274 /nfs/dbraw/zinc/56/42/74/1071564274.db2.gz CYHKJGZHJGEAQC-OAQYLSRUSA-N 1 0 495.697 3.871 20 0 JHADRO CNC(=O)CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(C)(C)C[NH+](C)C ZINC001315034148 1071565888 /nfs/dbraw/zinc/56/58/88/1071565888.db2.gz YMTBKMHLDPZVEQ-UHFFFAOYSA-N 1 0 472.634 3.973 20 0 JHADRO CCN1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C2CC2)[NH+](C)C)CC1=O ZINC001313923681 1071567403 /nfs/dbraw/zinc/56/74/03/1071567403.db2.gz BGMRNPYFRKXJIK-HXUWFJFHSA-N 1 0 477.078 3.623 20 0 JHADRO CCN1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)[NH+](CC)CC)CC1=O ZINC001313924320 1071569492 /nfs/dbraw/zinc/56/94/92/1071569492.db2.gz GHRGEWKJKXESJJ-FQEVSTJZSA-N 1 0 458.676 3.668 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)Cc2ccccn2)CC1 ZINC001313924781 1071571604 /nfs/dbraw/zinc/57/16/04/1071571604.db2.gz IKGRTFXOBWBCFM-LJQANCHMSA-N 1 0 498.473 3.765 20 0 JHADRO CNC(=O)CCN(C)c1nnc(Cc2ccc(F)cc2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001315040430 1071572342 /nfs/dbraw/zinc/57/23/42/1071572342.db2.gz AVGCORKIHAOOLJ-UHFFFAOYSA-N 1 0 484.645 3.554 20 0 JHADRO CCN1CCCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+](C)C2CCCCC2)CC1=O ZINC001313925089 1071572611 /nfs/dbraw/zinc/57/26/11/1071572611.db2.gz UWLXUFUDFXNEMI-UHFFFAOYSA-N 1 0 482.673 3.879 20 0 JHADRO CNC(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001315044265 1071576266 /nfs/dbraw/zinc/57/62/66/1071576266.db2.gz DPUPQERMOYOIKG-LJQANCHMSA-N 1 0 489.064 3.836 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC=C(C)CC2)CC1 ZINC001313926530 1071576848 /nfs/dbraw/zinc/57/68/48/1071576848.db2.gz DKRUPIACVZRZJO-HSZRJFAPSA-N 1 0 452.647 3.656 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC=C(C)CC2)CC1 ZINC001313926531 1071576946 /nfs/dbraw/zinc/57/69/46/1071576946.db2.gz DKRUPIACVZRZJO-QHCPKHFHSA-N 1 0 452.647 3.656 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313926557 1071576968 /nfs/dbraw/zinc/57/69/68/1071576968.db2.gz DICBRDGYKYOVAY-DYXWJJEUSA-N 1 0 476.616 3.674 20 0 JHADRO CNC(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315046250 1071577596 /nfs/dbraw/zinc/57/75/96/1071577596.db2.gz XRFDKNCTWVVBED-UHFFFAOYSA-N 1 0 494.640 3.811 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccc(OC)cc2)CC1 ZINC001313927435 1071580460 /nfs/dbraw/zinc/58/04/60/1071580460.db2.gz LALMCADFKZFIAK-FTBPSBKWSA-N 1 0 498.716 3.868 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313927854 1071581811 /nfs/dbraw/zinc/58/18/11/1071581811.db2.gz PCTKYYYAONNBHD-OFNKIYASSA-N 1 0 454.663 3.736 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 ZINC001313928056 1071582512 /nfs/dbraw/zinc/58/25/12/1071582512.db2.gz NFIIVDRNXAYESI-IRLDBZIGSA-N 1 0 456.654 3.906 20 0 JHADRO CNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001315057063 1071582479 /nfs/dbraw/zinc/58/24/79/1071582479.db2.gz NTPVZICFFLNIFN-UHFFFAOYSA-N 1 0 474.053 3.715 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCCCCC2)CC1 ZINC001313928129 1071582590 /nfs/dbraw/zinc/58/25/90/1071582590.db2.gz QPLNKMQBYDLXEA-NRFANRHFSA-N 1 0 472.703 3.985 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001313928327 1071583222 /nfs/dbraw/zinc/58/32/22/1071583222.db2.gz AMHIWONTPGZXCD-PMACEKPBSA-N 1 0 491.080 3.991 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313929332 1071586662 /nfs/dbraw/zinc/58/66/62/1071586662.db2.gz YZXTZTPODCCSEF-UXHICEINSA-N 1 0 491.080 3.540 20 0 JHADRO CC[NH+]1CCN([C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313928960 1071585111 /nfs/dbraw/zinc/58/51/11/1071585111.db2.gz QQGORYBVSQVNPB-QHCPKHFHSA-N 1 0 482.717 3.873 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC(F)(F)C2)C[C@@H]1C ZINC001313928924 1071585389 /nfs/dbraw/zinc/58/53/89/1071585389.db2.gz DSWJVMAPCWYBNH-WMZOPIPTSA-N 1 0 480.991 3.827 20 0 JHADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001313929320 1071586855 /nfs/dbraw/zinc/58/68/55/1071586855.db2.gz YYTKTVDVYMMPCZ-VJBWXMMDSA-N 1 0 486.730 3.830 20 0 JHADRO CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001313929177 1071586175 /nfs/dbraw/zinc/58/61/75/1071586175.db2.gz NWDZJNXOHYRVDD-UPVQGACJSA-N 1 0 454.663 3.615 20 0 JHADRO COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001315074717 1071587140 /nfs/dbraw/zinc/58/71/40/1071587140.db2.gz SHXGYUMICGBREE-PKOBYXMFSA-N 1 0 461.010 3.503 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCC(=O)NC2CC2)C[C@H]1C ZINC001313929790 1071587255 /nfs/dbraw/zinc/58/72/55/1071587255.db2.gz JNZVFVDLWMGEIO-TZIWHRDSSA-N 1 0 468.646 3.624 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2ccnc2C)C[C@@H]1C ZINC001313931298 1071592086 /nfs/dbraw/zinc/59/20/86/1071592086.db2.gz QVXZTSGVGGJTBI-ZWKOTPCHSA-N 1 0 458.010 3.807 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)C)cc2)C[C@H]1C ZINC001313931501 1071592593 /nfs/dbraw/zinc/59/25/93/1071592593.db2.gz FATPEZOROUPNHH-QFQXNSOFSA-N 1 0 471.646 3.685 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CSCCS2)C[C@H]1C ZINC001313930301 1071589497 /nfs/dbraw/zinc/58/94/97/1071589497.db2.gz BLCPTHKRVLVPPZ-QAPCUYQASA-N 1 0 469.627 3.926 20 0 JHADRO COC(=O)[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001315080622 1071590390 /nfs/dbraw/zinc/59/03/90/1071590390.db2.gz WRXIDOFVMGIWGX-INIZCTEOSA-N 1 0 493.450 3.690 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nc(C)c(C)s2)C[C@H]1C ZINC001313931288 1071591854 /nfs/dbraw/zinc/59/18/54/1071591854.db2.gz QPLLOCZBPDODLG-OAHLLOKOSA-N 1 0 488.061 3.514 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCCOC2)C[C@@H]1C ZINC001313931821 1071593338 /nfs/dbraw/zinc/59/33/38/1071593338.db2.gz IWOJOHPRZBULQA-ROUUACIJSA-N 1 0 462.436 3.973 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2CCc2nc(C(C)(C)C)cs2)C[C@@H]1C ZINC001313931887 1071593454 /nfs/dbraw/zinc/59/34/54/1071593454.db2.gz SRFKFUCSHCMOJW-ROUUACIJSA-N 1 0 464.680 3.529 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(SC)CCOCC2)C[C@@H]1C ZINC001313931908 1071594157 /nfs/dbraw/zinc/59/41/57/1071594157.db2.gz SWFZXSOZXGLORX-OALUTQOASA-N 1 0 477.650 4.000 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nc(C)c(C)s2)C[C@@H]1C ZINC001313932704 1071596080 /nfs/dbraw/zinc/59/60/80/1071596080.db2.gz ITHBCICKSUXDQA-HNNXBMFYSA-N 1 0 456.616 3.614 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2c(C)cccc2C)C[C@H]1C ZINC001313932762 1071596376 /nfs/dbraw/zinc/59/63/76/1071596376.db2.gz IXGWXHMHFCEGCH-ATIYNZHBSA-N 1 0 455.647 3.709 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCSCCCO)C[C@H]1C ZINC001313933592 1071598554 /nfs/dbraw/zinc/59/85/54/1071598554.db2.gz PAVNCHOZRONOQE-ZWKOTPCHSA-N 1 0 463.717 3.777 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)C)nnc3N(C)Cc3ccc(OC)cc3)cn2)CC1 ZINC001313934893 1071603547 /nfs/dbraw/zinc/60/35/47/1071603547.db2.gz UYUXVJKCPHQZAQ-UHFFFAOYSA-N 1 0 477.657 3.707 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCSC(F)(F)F)C[C@H]1C ZINC001313933666 1071599357 /nfs/dbraw/zinc/59/93/57/1071599357.db2.gz MIYDNCBYEZDRTC-LLVKDONJSA-N 1 0 467.359 3.819 20 0 JHADRO CC[NH+]1CCN(c2ccc(Cn3c(N(CCOC)[C@H]4CC[C@@H](C)C4)nnc3C(C)(C)C)cn2)CC1 ZINC001313934922 1071603568 /nfs/dbraw/zinc/60/35/68/1071603568.db2.gz VESBPTFCHREBTD-GGAORHGYSA-N 1 0 483.705 3.802 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313934194 1071601018 /nfs/dbraw/zinc/60/10/18/1071601018.db2.gz QIQGCXRNLYHGEB-RBUKOAKNSA-N 1 0 472.634 3.740 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001313934101 1071601111 /nfs/dbraw/zinc/60/11/11/1071601111.db2.gz SEUMSVQMJNRNRG-ROUUACIJSA-N 1 0 458.676 3.577 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCNC(=O)C(C)C)C[C@H]1C ZINC001313934648 1071602940 /nfs/dbraw/zinc/60/29/40/1071602940.db2.gz UOTYGTZHOXSOHC-OAHLLOKOSA-N 1 0 453.418 3.555 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCC(OC)CC2)C[C@H]1C ZINC001313935000 1071604369 /nfs/dbraw/zinc/60/43/69/1071604369.db2.gz UQRYGQNRJXPYHG-KLHKWILBSA-N 1 0 465.440 3.771 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCCCO2)C[C@H]1C ZINC001313935225 1071605343 /nfs/dbraw/zinc/60/53/43/1071605343.db2.gz GAXOAZFFIPYWHY-SJLPKXTDSA-N 1 0 478.435 3.816 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(C(N)=O)CCCC2)C[C@@H]1C ZINC001313935377 1071605406 /nfs/dbraw/zinc/60/54/06/1071605406.db2.gz YROLVLXZKIQEPF-KRWDZBQOSA-N 1 0 489.462 3.592 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313936461 1071608582 /nfs/dbraw/zinc/60/85/82/1071608582.db2.gz OFIWTGDCGISHCC-YSTOQKLRSA-N 1 0 457.619 3.696 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(OC)c(OC(F)F)c2)C[C@H]1C ZINC001313938101 1071611450 /nfs/dbraw/zinc/61/14/50/1071611450.db2.gz HUQRUVKKQVZHQR-QGZVFWFLSA-N 1 0 472.540 3.723 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2CCCn2cc(Br)cn2)C[C@H]1C ZINC001313939575 1071613380 /nfs/dbraw/zinc/61/33/80/1071613380.db2.gz DEPGVWGIAVAUSI-QGZVFWFLSA-N 1 0 464.456 3.591 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313941655 1071618177 /nfs/dbraw/zinc/61/81/77/1071618177.db2.gz FCAKZDRIYWQROI-IBGZPJMESA-N 1 0 477.579 3.696 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@H](OC)C(F)(F)F)C[C@H]1C ZINC001313942265 1071619140 /nfs/dbraw/zinc/61/91/40/1071619140.db2.gz HIWLBRLGGXAYCM-QUCCMNQESA-N 1 0 469.552 3.972 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC(C)C)c2ccccc2OC)C[C@@H]1C ZINC001313942075 1071619686 /nfs/dbraw/zinc/61/96/86/1071619686.db2.gz YXXJWCYICIUQNZ-OFVILXPXSA-N 1 0 478.641 3.969 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313942541 1071620846 /nfs/dbraw/zinc/62/08/46/1071620846.db2.gz JRBDLGHBZSMKTB-HXUWFJFHSA-N 1 0 486.661 3.999 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(O)CCCC2)C[C@H]1C ZINC001313943109 1071621950 /nfs/dbraw/zinc/62/19/50/1071621950.db2.gz PSYXFWQIPHPHSS-HXUWFJFHSA-N 1 0 455.647 3.990 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)C)n3CCCCOc3ccc(C)cc3)C2)CC1 ZINC001313942902 1071621375 /nfs/dbraw/zinc/62/13/75/1071621375.db2.gz NNGPEQQLBCQXDF-HSZRJFAPSA-N 1 0 454.663 3.785 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)cc2C(F)(F)F)C[C@@H]1C ZINC001313944046 1071623888 /nfs/dbraw/zinc/62/38/88/1071623888.db2.gz ADJVXEDQNRUXBI-KRWDZBQOSA-N 1 0 474.531 3.870 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)C)n3C[C@@H](C)Cc3ccc(OC)cc3)C2)CC1 ZINC001313944279 1071624425 /nfs/dbraw/zinc/62/44/25/1071624425.db2.gz ZHIAUWLCDZHEJG-JTHBVZDNSA-N 1 0 454.663 3.505 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001313943980 1071624608 /nfs/dbraw/zinc/62/46/08/1071624608.db2.gz UGVMIMRXRMHBIX-KRWDZBQOSA-N 1 0 463.508 3.588 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(C)CCOCC2)C[C@H]1C ZINC001313946841 1071630562 /nfs/dbraw/zinc/63/05/62/1071630562.db2.gz CZOCOXPVSKZSMP-LJQANCHMSA-N 1 0 459.660 3.926 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(C)c(C)c3)CC2)CC1 ZINC001313947850 1071633027 /nfs/dbraw/zinc/63/30/27/1071633027.db2.gz AALHSQLQNIVVLS-JOCHJYFZSA-N 1 0 467.706 3.619 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC001313948089 1071633265 /nfs/dbraw/zinc/63/32/65/1071633265.db2.gz BPKIHFWNYIPYMP-LJQANCHMSA-N 1 0 496.626 3.732 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(CSC)c3)C2)CC1 ZINC001313948172 1071633412 /nfs/dbraw/zinc/63/34/12/1071633412.db2.gz PIGFGPJZERZSKC-HSZRJFAPSA-N 1 0 470.731 3.994 20 0 JHADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001313948165 1071633438 /nfs/dbraw/zinc/63/34/38/1071633438.db2.gz JOXPFDGNLBOMAI-SFHVURJKSA-N 1 0 486.592 3.878 20 0 JHADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3cscc3C(F)(F)F)C2)CC1 ZINC001313949576 1071636846 /nfs/dbraw/zinc/63/68/46/1071636846.db2.gz ZNKSOXDVEAWEIH-SFHVURJKSA-N 1 0 470.609 3.821 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)OC2CCCC2)CC1 ZINC001313950172 1071637607 /nfs/dbraw/zinc/63/76/07/1071637607.db2.gz NSQRGHDYMZQOAI-SFHVURJKSA-N 1 0 462.042 3.578 20 0 JHADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4csc(C)n4)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313950556 1071638832 /nfs/dbraw/zinc/63/88/32/1071638832.db2.gz VNVPZFHWMWOIBN-RTWAWAEBSA-N 1 0 491.775 3.628 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC001313950710 1071639273 /nfs/dbraw/zinc/63/92/73/1071639273.db2.gz QDVGLQWVDMKKMG-UEXGIBASSA-N 1 0 457.494 3.695 20 0 JHADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)c2ccccc2)C[C@H]1C ZINC001313951113 1071640579 /nfs/dbraw/zinc/64/05/79/1071640579.db2.gz ZHLBQBNASWIVMI-SBQVMTCPSA-N 1 0 498.672 3.788 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC[C@H](c4noc(C(C)C)n4)C3)nnc2C(C)(C)C)CC1 ZINC001313952191 1071645288 /nfs/dbraw/zinc/64/52/88/1071645288.db2.gz OPHXNNRUXKJVEI-SFTDATJTSA-N 1 0 486.709 3.740 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313951640 1071643113 /nfs/dbraw/zinc/64/31/13/1071643113.db2.gz AMMNAKHUBLGKGI-YADHBBJMSA-N 1 0 486.730 3.949 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313951831 1071643845 /nfs/dbraw/zinc/64/38/45/1071643845.db2.gz KYSBKLUXWDQKKR-ROUUACIJSA-N 1 0 478.483 3.546 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCCCCC2)CC1 ZINC001313952116 1071644361 /nfs/dbraw/zinc/64/43/61/1071644361.db2.gz XXPYDZYHZDTCPX-IBGZPJMESA-N 1 0 492.510 3.700 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313952902 1071647199 /nfs/dbraw/zinc/64/71/99/1071647199.db2.gz UVVNRCJCNSHZDK-NHCUHLMSSA-N 1 0 491.080 3.714 20 0 JHADRO CCN1CC[NH+](CCCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001313953162 1071647729 /nfs/dbraw/zinc/64/77/29/1071647729.db2.gz BVRFSGPJMLMYFJ-HSZRJFAPSA-N 1 0 475.081 3.555 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccn3)nnc2N(C)Cc2ccccc2Cl)CC1 ZINC001313953295 1071648476 /nfs/dbraw/zinc/64/84/76/1071648476.db2.gz JPOVYKHTZURUPE-FQEVSTJZSA-N 1 0 468.049 3.904 20 0 JHADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCCCO3)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001313953692 1071649496 /nfs/dbraw/zinc/64/94/96/1071649496.db2.gz HXWRWFULGIRHLL-NRFANRHFSA-N 1 0 495.510 3.816 20 0 JHADRO CCN1CC[NH+](CCCCn2c(N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001313953723 1071649506 /nfs/dbraw/zinc/64/95/06/1071649506.db2.gz IOJITHWMUNJDJD-ZCWHBTPQSA-N 1 0 488.746 3.928 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3F)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001313954339 1071651255 /nfs/dbraw/zinc/65/12/55/1071651255.db2.gz OFECGRIDGJUHLG-BBTUJRGHSA-N 1 0 498.569 3.514 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001313954341 1071651284 /nfs/dbraw/zinc/65/12/84/1071651284.db2.gz OFECGRIDGJUHLG-WAOWUJCRSA-N 1 0 498.569 3.514 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCc2ccccc2F)CC1 ZINC001313954321 1071651316 /nfs/dbraw/zinc/65/13/16/1071651316.db2.gz NYCYOZBELUTCGR-NRFANRHFSA-N 1 0 479.648 3.740 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001313954718 1071652454 /nfs/dbraw/zinc/65/24/54/1071652454.db2.gz PECOEJLSHWZRMC-NHCUHLMSSA-N 1 0 475.081 3.877 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001313955004 1071653633 /nfs/dbraw/zinc/65/36/33/1071653633.db2.gz DEMAGBCUGPLEJF-ILBGXUMGSA-N 1 0 498.716 3.690 20 0 JHADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@@H](c3ccsc3)C2)CC1 ZINC001313954888 1071653757 /nfs/dbraw/zinc/65/37/57/1071653757.db2.gz WJTAAMBFJUOFQU-FYYLOGMGSA-N 1 0 474.719 3.922 20 0 JHADRO CCN1CC[NH+](CCCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001313955015 1071654192 /nfs/dbraw/zinc/65/41/92/1071654192.db2.gz RQBRSBVLJOOUFJ-QFIPXVFZSA-N 1 0 468.690 3.885 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313955245 1071654727 /nfs/dbraw/zinc/65/47/27/1071654727.db2.gz QQRNOBUVBKBMDZ-IBGZPJMESA-N 1 0 488.055 3.986 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313955763 1071656647 /nfs/dbraw/zinc/65/66/47/1071656647.db2.gz IHXMABXGWSBMIW-GOSISDBHSA-N 1 0 473.716 3.605 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)cc3OC)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313958028 1071662424 /nfs/dbraw/zinc/66/24/24/1071662424.db2.gz NLTMMLSOMSCBNZ-UHFFFAOYSA-N 1 0 468.646 3.536 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001313956766 1071658097 /nfs/dbraw/zinc/65/80/97/1071658097.db2.gz KUMVMHCDUUCMNW-NHCUHLMSSA-N 1 0 458.626 3.536 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001313958017 1071662527 /nfs/dbraw/zinc/66/25/27/1071662527.db2.gz NDOAQGGNEXZADB-NRFANRHFSA-N 1 0 484.689 3.862 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC001313957113 1071659552 /nfs/dbraw/zinc/65/95/52/1071659552.db2.gz PUJCAOIDSJIPHD-NRFANRHFSA-N 1 0 494.606 3.855 20 0 JHADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313957675 1071661299 /nfs/dbraw/zinc/66/12/99/1071661299.db2.gz RPJOTCTTZPIZDL-QZNHQXDQSA-N 1 0 492.634 3.972 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313957667 1071661352 /nfs/dbraw/zinc/66/13/52/1071661352.db2.gz RITCIBWEDGKVPJ-LJQANCHMSA-N 1 0 478.607 3.763 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313957921 1071661778 /nfs/dbraw/zinc/66/17/78/1071661778.db2.gz SBVSDERGOUVAIU-TZRRMPRUSA-N 1 0 482.717 3.828 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001313958960 1071665006 /nfs/dbraw/zinc/66/50/06/1071665006.db2.gz YQWVWWHGFVXHKH-JOCHJYFZSA-N 1 0 475.081 3.877 20 0 JHADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313958931 1071665254 /nfs/dbraw/zinc/66/52/54/1071665254.db2.gz YVKWRMLIGBOFMX-ZLNRFVROSA-N 1 0 486.730 3.769 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001313958961 1071665793 /nfs/dbraw/zinc/66/57/93/1071665793.db2.gz YQWVWWHGFVXHKH-QFIPXVFZSA-N 1 0 475.081 3.877 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313959984 1071668804 /nfs/dbraw/zinc/66/88/04/1071668804.db2.gz DJBKNUYYWYTBIV-JOCHJYFZSA-N 1 0 454.663 3.820 20 0 JHADRO CCN1CC[NH+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCSC[C@H]2C)CC1 ZINC001313959752 1071667441 /nfs/dbraw/zinc/66/74/41/1071667441.db2.gz CFTGGSRAVUJRAJ-GOSISDBHSA-N 1 0 480.629 3.516 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3C)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001313960195 1071669273 /nfs/dbraw/zinc/66/92/73/1071669273.db2.gz FQEICYLWYFODFK-VXKWHMMOSA-N 1 0 456.704 3.535 20 0 JHADRO CC[NH+]1CCN(CCCn2c(CC3CCCC3)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001313960742 1071670550 /nfs/dbraw/zinc/67/05/50/1071670550.db2.gz MDPAYDYKQRUOCT-UHFFFAOYSA-N 1 0 479.511 3.917 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001313961014 1071671693 /nfs/dbraw/zinc/67/16/93/1071671693.db2.gz OQMULJHKKDNAOI-GOTSBHOMSA-N 1 0 486.730 3.832 20 0 JHADRO CC[NH+]1CCN(CCCn2c(COc3ccccc3OC)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001313961076 1071671744 /nfs/dbraw/zinc/67/17/44/1071671744.db2.gz QASWWXHUXPWXRX-YADHBBJMSA-N 1 0 470.662 3.518 20 0 JHADRO CC[NH+]1CCN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC(F)(F)F)CC1 ZINC001313961589 1071673526 /nfs/dbraw/zinc/67/35/26/1071673526.db2.gz VTVWFBRXQZQWJV-QGZVFWFLSA-N 1 0 472.531 3.583 20 0 JHADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3OC)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313961606 1071673564 /nfs/dbraw/zinc/67/35/64/1071673564.db2.gz VFULVQAKTAWXER-UHFFFAOYSA-N 1 0 454.663 3.532 20 0 JHADRO CCn1nc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313962340 1071674528 /nfs/dbraw/zinc/67/45/28/1071674528.db2.gz ITKIYTYCOABNFF-ZCNNSNEGSA-N 1 0 465.646 3.743 20 0 JHADRO CCNC(=O)C(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001313972376 1071698163 /nfs/dbraw/zinc/69/81/63/1071698163.db2.gz CHQVJBLYCPLKOW-JOCHJYFZSA-N 1 0 480.701 3.926 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC001313981648 1071718093 /nfs/dbraw/zinc/71/80/93/1071718093.db2.gz HCICAAOTBYQSAX-OALUTQOASA-N 1 0 466.655 3.647 20 0 JHADRO CCNC(=O)c1ccc(Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001313984980 1071722717 /nfs/dbraw/zinc/72/27/17/1071722717.db2.gz UGXLYFHECPLTEV-UHFFFAOYSA-N 1 0 475.641 3.696 20 0 JHADRO CCNC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001314004716 1071741199 /nfs/dbraw/zinc/74/11/99/1071741199.db2.gz MNQQLCJKSBSZDZ-OAQYLSRUSA-N 1 0 487.718 3.707 20 0 JHADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C3CCCC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001314007228 1071742847 /nfs/dbraw/zinc/74/28/47/1071742847.db2.gz CLFLYIMGZJKRQK-KNQAVFIVSA-N 1 0 488.702 3.583 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001314013301 1071750210 /nfs/dbraw/zinc/75/02/10/1071750210.db2.gz DTJSFHFTLLZTKB-JOCHJYFZSA-N 1 0 456.635 3.979 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001314013610 1071750968 /nfs/dbraw/zinc/75/09/68/1071750968.db2.gz JCHJMUUYYSKIGQ-NRFANRHFSA-N 1 0 491.640 3.918 20 0 JHADRO CCOC(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314017915 1071764232 /nfs/dbraw/zinc/76/42/32/1071764232.db2.gz IXVXEYQRVVCZQI-FQEVSTJZSA-N 1 0 460.667 3.800 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3cccc4cccnc43)n2CCC[N@H+](C)C(C)C)CC1 ZINC001314019915 1071769400 /nfs/dbraw/zinc/76/94/00/1071769400.db2.gz OGUYDCPAKGFVAQ-UHFFFAOYSA-N 1 0 465.602 3.502 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001314020796 1071772763 /nfs/dbraw/zinc/77/27/63/1071772763.db2.gz ZDXALMSZACGVMD-UHFFFAOYSA-N 1 0 498.672 3.675 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001314022519 1071776429 /nfs/dbraw/zinc/77/64/29/1071776429.db2.gz BMUPAKYSZYIPHB-JOCHJYFZSA-N 1 0 498.672 3.909 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001314024076 1071781290 /nfs/dbraw/zinc/78/12/90/1071781290.db2.gz BBZJRGBKVVRGIC-OAQYLSRUSA-N 1 0 491.640 3.672 20 0 JHADRO CCOC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001314024819 1071783960 /nfs/dbraw/zinc/78/39/60/1071783960.db2.gz YIDRPASAJKRRNI-QHCPKHFHSA-N 1 0 498.672 3.908 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001314025776 1071786536 /nfs/dbraw/zinc/78/65/36/1071786536.db2.gz DESVFOMBLGJXSL-YADHBBJMSA-N 1 0 469.634 3.566 20 0 JHADRO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001314025819 1071787042 /nfs/dbraw/zinc/78/70/42/1071787042.db2.gz DTZFGDOJVBEVEK-NRFANRHFSA-N 1 0 483.661 3.956 20 0 JHADRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001314028909 1071796844 /nfs/dbraw/zinc/79/68/44/1071796844.db2.gz SVNMKYKTIYBIBW-SXLOBPIMSA-N 1 0 458.607 3.680 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001314032558 1071809918 /nfs/dbraw/zinc/80/99/18/1071809918.db2.gz BKYBFQWLIZYTFU-PKOBYXMFSA-N 1 0 460.648 3.626 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001314033123 1071812322 /nfs/dbraw/zinc/81/23/22/1071812322.db2.gz PCWZZKRPHMTBJA-RBBKRZOGSA-N 1 0 484.645 3.789 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](C)[NH+](C)C)C1 ZINC001314033856 1071815114 /nfs/dbraw/zinc/81/51/14/1071815114.db2.gz PYWFSSXROZASCY-HKUYNNGSSA-N 1 0 474.675 3.941 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001314035214 1071821663 /nfs/dbraw/zinc/82/16/63/1071821663.db2.gz WFJLKERHZPQSAB-LJQANCHMSA-N 1 0 458.607 3.826 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)[NH+](CC)CC)C1 ZINC001314035490 1071821789 /nfs/dbraw/zinc/82/17/89/1071821789.db2.gz WUZIAYSULQNRRU-SIKLNZKXSA-N 1 0 456.635 3.953 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001314037715 1071831380 /nfs/dbraw/zinc/83/13/80/1071831380.db2.gz ATETXLCKNYYREU-LEWJYISDSA-N 1 0 456.635 3.885 20 0 JHADRO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314043240 1071851882 /nfs/dbraw/zinc/85/18/82/1071851882.db2.gz CJUUZPNYVZDADF-GGAORHGYSA-N 1 0 483.661 3.633 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001314044507 1071856254 /nfs/dbraw/zinc/85/62/54/1071856254.db2.gz SUMBHDGOPSIABG-FYYLOGMGSA-N 1 0 484.645 3.529 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001314044509 1071856969 /nfs/dbraw/zinc/85/69/69/1071856969.db2.gz SUMBHDGOPSIABG-GGAORHGYSA-N 1 0 484.645 3.529 20 0 JHADRO CCOC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001314044677 1071857517 /nfs/dbraw/zinc/85/75/17/1071857517.db2.gz ZNCUUAKARWDMSW-UHFFFAOYSA-N 1 0 467.456 3.828 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001314045101 1071858622 /nfs/dbraw/zinc/85/86/22/1071858622.db2.gz YMYJYNHPLLFFPD-FCHUYYIVSA-N 1 0 484.645 3.673 20 0 JHADRO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CCC[NH+]2CCCCC2)C1 ZINC001314045710 1071860974 /nfs/dbraw/zinc/86/09/74/1071860974.db2.gz MELNVLPEPMJAOG-HXUWFJFHSA-N 1 0 460.648 3.521 20 0 JHADRO CCOC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001314049230 1071870061 /nfs/dbraw/zinc/87/00/61/1071870061.db2.gz ZFMDBWGTMONQOW-OFVILXPXSA-N 1 0 496.700 3.702 20 0 JHADRO CCOC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001314049229 1071870240 /nfs/dbraw/zinc/87/02/40/1071870240.db2.gz ZFMDBWGTMONQOW-BWKNWUBXSA-N 1 0 496.700 3.702 20 0 JHADRO CCOC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001314050422 1071871792 /nfs/dbraw/zinc/87/17/92/1071871792.db2.gz JKFYHQWIMSXICQ-IBGZPJMESA-N 1 0 459.610 3.513 20 0 JHADRO CCO[C@@H](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)C(C)C ZINC001314063726 1071905392 /nfs/dbraw/zinc/90/53/92/1071905392.db2.gz SOWWZLHMIJBYOU-QFIPXVFZSA-N 1 0 491.080 3.993 20 0 JHADRO CCO[C@H](CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC2CCOCC2)CC1)C(C)C ZINC001314063596 1071905448 /nfs/dbraw/zinc/90/54/48/1071905448.db2.gz KGJXJWTWVRMDAP-XMMPIXPASA-N 1 0 470.662 3.648 20 0 JHADRO CCO[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1)C(C)C ZINC001314062293 1071900712 /nfs/dbraw/zinc/90/07/12/1071900712.db2.gz CFTWRFYRYHLJEA-HSZRJFAPSA-N 1 0 457.667 3.832 20 0 JHADRO CCO[C@]1(c2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCOC1 ZINC001314081750 1071945160 /nfs/dbraw/zinc/94/51/60/1071945160.db2.gz CZFLEVSCXRQUDW-KBMIEXCESA-N 1 0 477.600 3.965 20 0 JHADRO CCO[C@@]1(c2nnc(N(C)Cc3cccc(C)c3)n2C[C@H](c2ccco2)[NH+](C)C)CCOC1 ZINC001314084375 1071951452 /nfs/dbraw/zinc/95/14/52/1071951452.db2.gz YBPDQXHXVKBUDM-BWKNWUBXSA-N 1 0 453.587 3.771 20 0 JHADRO 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3.550 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC2(OC)CCCCC2)CCOC1 ZINC001314109850 1072003174 /nfs/dbraw/zinc/00/31/74/1072003174.db2.gz DGYSRDAGFKIRHB-AREMUKBSSA-N 1 0 477.694 3.836 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC(C)(C)[NH+]2CCCCC2)CCOC1 ZINC001314106876 1071997899 /nfs/dbraw/zinc/99/78/99/1071997899.db2.gz RKFWWXOCDMDKHF-QFIPXVFZSA-N 1 0 471.568 3.894 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(C)(COC)CC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CCOC1 ZINC001314107130 1071998525 /nfs/dbraw/zinc/99/85/25/1071998525.db2.gz HYFREQTUNDRGLN-NVQXNPDNSA-N 1 0 489.636 3.625 20 0 JHADRO CCO[C@@]1(c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC001314107872 1072000065 /nfs/dbraw/zinc/00/00/65/1072000065.db2.gz WIHOWPXRYTXHOO-RPWUZVMVSA-N 1 0 463.692 3.550 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H]2CCCC[N@@H+]2CC)CCOC1 ZINC001314113725 1072009809 /nfs/dbraw/zinc/00/98/09/1072009809.db2.gz PCYYXEUFLVILGQ-IERDGZPVSA-N 1 0 458.434 3.704 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(CC(F)(F)F)CC3)n2CCC[NH+]2CCCC2)CCOC1 ZINC001314112960 1072008297 /nfs/dbraw/zinc/00/82/97/1072008297.db2.gz OBDUKJNRGVNOQH-NRFANRHFSA-N 1 0 459.557 3.585 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ccccc2Br)CCOC1 ZINC001314116197 1072014675 /nfs/dbraw/zinc/01/46/75/1072014675.db2.gz CLNKCJYRSDPDRA-QHCPKHFHSA-N 1 0 492.462 3.708 20 0 JHADRO CCO[C@]1(c2nnc(N3CC[C@H](C[NH+](CC)CC)C3)n2Cc2ccccc2Cl)CCOC1 ZINC001314114194 1072010705 /nfs/dbraw/zinc/01/07/05/1072010705.db2.gz WVKOAXNNRRFWSZ-NTKDMRAZSA-N 1 0 462.038 3.800 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC(Oc4ccc(C)cc4)CC3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001314116841 1072015803 /nfs/dbraw/zinc/01/58/03/1072015803.db2.gz KHVOKTACKBLCLL-SANMLTNESA-N 1 0 471.646 3.627 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC[C@](C)(OC)CC3)n2Cc2cccc(C[N@H+](C)CC)c2)CCOC1 ZINC001314122263 1072026120 /nfs/dbraw/zinc/02/61/20/1072026120.db2.gz OHKMADYPYNIRAS-RRPNLBNLSA-N 1 0 485.673 3.826 20 0 JHADRO CCO[C@]1(c2nnc(N3CCCC[C@H](COC)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001314126360 1072034882 /nfs/dbraw/zinc/03/48/82/1072034882.db2.gz XQJCJRQOWHKHAR-RZPFDVGOSA-N 1 0 477.694 3.694 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC[C@@H]3CSC)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001314126786 1072036112 /nfs/dbraw/zinc/03/61/12/1072036112.db2.gz BTXDWWHKIPBGDA-ZFGGDYGUSA-N 1 0 465.708 3.773 20 0 JHADRO CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCSCc2ccccc2F)CCOC1 ZINC001314127372 1072037687 /nfs/dbraw/zinc/03/76/87/1072037687.db2.gz WIEBOLVUWYWADH-RUZDIDTESA-N 1 0 491.677 3.923 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2ccc(Cl)c(OC)c2)CCOC1 ZINC001314127624 1072038133 /nfs/dbraw/zinc/03/81/33/1072038133.db2.gz XCKPNQXFLPZLIY-DEOSSOPVSA-N 1 0 478.037 3.561 20 0 JHADRO CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC2(OC)CCCCC2)CCOC1 ZINC001314128014 1072038708 /nfs/dbraw/zinc/03/87/08/1072038708.db2.gz ZVFDSTUITFFUKJ-VWLOTQADSA-N 1 0 463.667 3.590 20 0 JHADRO 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CCc1ccc(-c2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCC(C)(C)O)cc1 ZINC001305947291 1068263811 /nfs/dbraw/zinc/26/38/11/1068263811.db2.gz CBCMAZSJBOPOGY-SZPZYZBQSA-N 1 0 468.690 3.663 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN(C(=O)OC)[C@@H](C)C3)n2CCC[NH+]2CCCCC2)cc1 ZINC001305948147 1068267709 /nfs/dbraw/zinc/26/77/09/1068267709.db2.gz YQVFWYLXFUQTSW-FQEVSTJZSA-N 1 0 454.619 3.660 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[C@@H]2COCCO2)cc1 ZINC001305948383 1068268760 /nfs/dbraw/zinc/26/87/60/1068268760.db2.gz UQDLFNQPFRCOOM-HSZRJFAPSA-N 1 0 455.647 3.871 20 0 JHADRO CCc1ccc(-c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2C[C@](C)(O)CCC(C)C)cc1 ZINC001305948542 1068268848 /nfs/dbraw/zinc/26/88/48/1068268848.db2.gz UWWGPUNOKBXFOV-YIXXDRMTSA-N 1 0 469.674 3.853 20 0 JHADRO CCc1ccc(-c2nnc(N3CCO[C@@H](c4cnn(C)c4)C3)n2CC[N@@H+](C)[C@H](C)CC)cc1 ZINC001305948445 1068269371 /nfs/dbraw/zinc/26/93/71/1068269371.db2.gz DDHRQBZIBIPDFG-AUSIDOKSSA-N 1 0 451.619 3.549 20 0 JHADRO CCc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001305948429 1068269389 /nfs/dbraw/zinc/26/93/89/1068269389.db2.gz CTBAQEGCKWBUIN-QPPBQGQZSA-N 1 0 455.647 3.870 20 0 JHADRO CCc1ccc(-c2nnc(N3CCO[C@@H](c4noc(C)n4)C3)n2CCC[NH+](CC)CC)cc1 ZINC001305949517 1068272064 /nfs/dbraw/zinc/27/20/64/1068272064.db2.gz MAXRFTHVMJPSCO-OAQYLSRUSA-N 1 0 453.591 3.509 20 0 JHADRO CCc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC001305950524 1068274015 /nfs/dbraw/zinc/27/40/15/1068274015.db2.gz SQQIGKMQASOPNJ-HYBUGGRVSA-N 1 0 455.647 3.870 20 0 JHADRO CCc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC001305950523 1068274097 /nfs/dbraw/zinc/27/40/97/1068274097.db2.gz SQQIGKMQASOPNJ-GBXCKJPGSA-N 1 0 455.647 3.870 20 0 JHADRO CCc1ccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2C[C@H](C(CC)CC)[NH+](C)C)cc1 ZINC001305950698 1068274153 /nfs/dbraw/zinc/27/41/53/1068274153.db2.gz QKORCETWBFIOFM-DHIUTWEWSA-N 1 0 452.647 3.685 20 0 JHADRO 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CCc1ccccc1OCc1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001305986450 1068337540 /nfs/dbraw/zinc/33/75/40/1068337540.db2.gz OCBDECZZXQDOCE-UHFFFAOYSA-N 1 0 494.606 3.836 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCOc1ncccc1F ZINC001305987385 1068341037 /nfs/dbraw/zinc/34/10/37/1068341037.db2.gz XVJHWILUANVHDT-UHFFFAOYSA-N 1 0 482.604 3.953 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCCn1ccnc1C ZINC001305988353 1068344637 /nfs/dbraw/zinc/34/46/37/1068344637.db2.gz KVQJJGBKBKBBDD-FQEVSTJZSA-N 1 0 451.619 3.545 20 0 JHADRO CCc1ccccc1OCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H](C)[NH+](C)C ZINC001305989084 1068346517 /nfs/dbraw/zinc/34/65/17/1068346517.db2.gz VGPQYIIXSVPMGG-VQTJNVASSA-N 1 0 486.661 3.815 20 0 JHADRO CCc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCCCCC3)C2)n1 ZINC001305999917 1068369835 /nfs/dbraw/zinc/36/98/35/1068369835.db2.gz VXLJPELDKCXBMK-LJQANCHMSA-N 1 0 473.691 3.695 20 0 JHADRO 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CCc1nc(CCn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)no1 ZINC001306018668 1068406593 /nfs/dbraw/zinc/40/65/93/1068406593.db2.gz SXGKYSNGDZRTLY-UHFFFAOYSA-N 1 0 497.644 3.850 20 0 JHADRO CCc1nc(CCn2c(-c3ccccc3F)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)cs1 ZINC001306019034 1068407920 /nfs/dbraw/zinc/40/79/20/1068407920.db2.gz VRXOEFQCSLFMCL-KRWDZBQOSA-N 1 0 458.607 3.503 20 0 JHADRO CCc1nc(Cn2c([C@H](C)CC)nnc2N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cs1 ZINC001306037667 1068446386 /nfs/dbraw/zinc/44/63/86/1068446386.db2.gz XILYBPNQLWBMPD-LJQANCHMSA-N 1 0 459.708 3.854 20 0 JHADRO CCc1nc(CN2CCN(c3nnc(COc4ccc(C)c(C)c4)n3C[C@@H](C)[NH+](C)C)CC2)cs1 ZINC001306041460 1068456038 /nfs/dbraw/zinc/45/60/38/1068456038.db2.gz QAZVNIGKIBDWNB-OAQYLSRUSA-N 1 0 497.713 3.765 20 0 JHADRO CCc1nc(CN2CCN(c3nnc(C)n3Cc3ccccc3C[NH+](CC)CC)CC2)cs1 ZINC001306042104 1068457859 /nfs/dbraw/zinc/45/78/59/1068457859.db2.gz PLOQAWLKKAKLIU-UHFFFAOYSA-N 1 0 467.687 3.818 20 0 JHADRO 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CCc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001306082266 1068512077 /nfs/dbraw/zinc/51/20/77/1068512077.db2.gz FLJVVMNNMDPAJE-UHFFFAOYSA-N 1 0 468.549 3.941 20 0 JHADRO CCc1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001306092648 1068515782 /nfs/dbraw/zinc/51/57/82/1068515782.db2.gz UJNDBCUGMGYSRM-IFMALSPDSA-N 1 0 470.662 3.960 20 0 JHADRO CCc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001306118445 1068525751 /nfs/dbraw/zinc/52/57/51/1068525751.db2.gz SSTZBWNVQSAGHW-WMZHIEFXSA-N 1 0 470.637 3.757 20 0 JHADRO CCc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001306140910 1068542165 /nfs/dbraw/zinc/54/21/65/1068542165.db2.gz BBSUXKWONLQXKG-QFIPXVFZSA-N 1 0 494.606 3.572 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001306141686 1068542836 /nfs/dbraw/zinc/54/28/36/1068542836.db2.gz ILZQZIUDNYXZQN-HXUWFJFHSA-N 1 0 458.676 3.730 20 0 JHADRO CCc1nnc(N2CCC(NC(=O)c3ccoc3C)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001306142049 1068543286 /nfs/dbraw/zinc/54/32/86/1068543286.db2.gz LHWIYHNDIDZMCI-HXUWFJFHSA-N 1 0 456.635 3.509 20 0 JHADRO CCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001306146714 1068549785 /nfs/dbraw/zinc/54/97/85/1068549785.db2.gz WTZCHCAFOJEECK-HSZRJFAPSA-N 1 0 470.662 3.729 20 0 JHADRO CCc1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001306153219 1068552848 /nfs/dbraw/zinc/55/28/48/1068552848.db2.gz IJCLUVWUXCFWGJ-UHFFFAOYSA-N 1 0 469.552 3.737 20 0 JHADRO CCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001306157038 1068555167 /nfs/dbraw/zinc/55/51/67/1068555167.db2.gz LZIDQIOAZCMGFD-NHCUHLMSSA-N 1 0 453.635 3.664 20 0 JHADRO CCc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001306160932 1068556791 /nfs/dbraw/zinc/55/67/91/1068556791.db2.gz CPYOOACEYJBUMW-OAHLLOKOSA-N 1 0 472.581 3.547 20 0 JHADRO CCc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001306162572 1068558151 /nfs/dbraw/zinc/55/81/51/1068558151.db2.gz UZASQEGIESSVRM-ZJOUEHCJSA-N 1 0 460.667 3.987 20 0 JHADRO CCc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001306166945 1068563315 /nfs/dbraw/zinc/56/33/15/1068563315.db2.gz YKCCZSBFDVKFRG-NRFANRHFSA-N 1 0 466.674 3.668 20 0 JHADRO CCc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001306171469 1068566450 /nfs/dbraw/zinc/56/64/50/1068566450.db2.gz TUDCIBYHXSETKD-JTHBVZDNSA-N 1 0 482.673 3.817 20 0 JHADRO CCc1nnc(N2CCCN(c3ncccc3F)CC2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001306179650 1068569633 /nfs/dbraw/zinc/56/96/33/1068569633.db2.gz XHSFQEGYFSPVIB-UHFFFAOYSA-N 1 0 465.621 3.981 20 0 JHADRO CCc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001306180232 1068571170 /nfs/dbraw/zinc/57/11/70/1068571170.db2.gz RTLVBHABLJGEHF-NRFANRHFSA-N 1 0 461.054 3.823 20 0 JHADRO CCc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306185921 1068577093 /nfs/dbraw/zinc/57/70/93/1068577093.db2.gz VJZNSJASUUQEPQ-OYRHEFFESA-N 1 0 470.637 3.700 20 0 JHADRO CCc1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306192737 1068583767 /nfs/dbraw/zinc/58/37/67/1068583767.db2.gz CTBBZOAOCHPKLY-KBMIEXCESA-N 1 0 458.626 3.825 20 0 JHADRO CCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001306205572 1068595966 /nfs/dbraw/zinc/59/59/66/1068595966.db2.gz OCZBMYGLNSQDSP-IRLDBZIGSA-N 1 0 468.646 3.951 20 0 JHADRO CCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1Cc1cccc(Br)n1 ZINC001306205590 1068596740 /nfs/dbraw/zinc/59/67/40/1068596740.db2.gz OMWFXRINZMDUJR-QGZVFWFLSA-N 1 0 455.404 3.757 20 0 JHADRO CCc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1Cc1coc(-c2ccc(C)cc2)n1 ZINC001306207235 1068598373 /nfs/dbraw/zinc/59/83/73/1068598373.db2.gz JLSUGJCLPBXCDY-UHFFFAOYSA-N 1 0 492.546 3.943 20 0 JHADRO 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CC[C@@H]1CCCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCN(C)CC(F)(F)F ZINC001306355701 1068790549 /nfs/dbraw/zinc/79/05/49/1068790549.db2.gz PRZQUVCBYACUBU-OAQYLSRUSA-N 1 0 493.622 3.516 20 0 JHADRO CC[C@@H]1CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001306357498 1068792168 /nfs/dbraw/zinc/79/21/68/1068792168.db2.gz RBKZIBYYHLTXQB-IIBYNOLFSA-N 1 0 454.402 3.609 20 0 JHADRO CC[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001306368501 1068803420 /nfs/dbraw/zinc/80/34/20/1068803420.db2.gz RSCZZVMDYFCQLL-QZTJIDSGSA-N 1 0 462.436 3.791 20 0 JHADRO CCC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001306368353 1068803627 /nfs/dbraw/zinc/80/36/27/1068803627.db2.gz VKCIVTMXCRZGJT-OAQYLSRUSA-N 1 0 484.689 3.862 20 0 JHADRO CCC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001306368689 1068804310 /nfs/dbraw/zinc/80/43/10/1068804310.db2.gz ZDBMWJLMICAUQQ-LJQANCHMSA-N 1 0 457.619 3.557 20 0 JHADRO 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CCCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](CC)C2CC2)C1 ZINC001306503328 1069072738 /nfs/dbraw/zinc/07/27/38/1069072738.db2.gz DYTWPKXYNUPBDN-XKCSPQBFSA-N 1 0 474.694 3.566 20 0 JHADRO O=C(Nc1cc2c(cc1Br)CCC2)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001310646377 1069080689 /nfs/dbraw/zinc/08/06/89/1069080689.db2.gz YYLBGHIVOMVSHK-UGKGYDQZSA-N 1 0 458.400 3.942 20 0 JHADRO O=C(Nc1cc2c(cc1Br)CCC2)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001310646374 1069080739 /nfs/dbraw/zinc/08/07/39/1069080739.db2.gz YYLBGHIVOMVSHK-DENIHFKCSA-N 1 0 458.400 3.942 20 0 JHADRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(Oc4cccc(F)c4F)nc3)cn2)CC1 ZINC001310647026 1069081524 /nfs/dbraw/zinc/08/15/24/1069081524.db2.gz WTYXZGKBQAOFGP-UHFFFAOYSA-N 1 0 454.481 3.621 20 0 JHADRO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC001310648739 1069083924 /nfs/dbraw/zinc/08/39/24/1069083924.db2.gz HIPIWTCRUPSYLR-QFIPXVFZSA-N 1 0 458.990 3.854 20 0 JHADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC001310650077 1069084385 /nfs/dbraw/zinc/08/43/85/1069084385.db2.gz CFMVDPYLOUOKFH-MRXNPFEDSA-N 1 0 454.358 3.934 20 0 JHADRO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001306506466 1069086440 /nfs/dbraw/zinc/08/64/40/1069086440.db2.gz NHFCLDFNHUVKFJ-FCHUYYIVSA-N 1 0 473.065 3.748 20 0 JHADRO CC(C)[C@@H](CNC(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)[NH+]1CCN(C)CC1 ZINC001310657404 1069091116 /nfs/dbraw/zinc/09/11/16/1069091116.db2.gz YOJYQVJGYRYPKF-MRXNPFEDSA-N 1 0 452.468 3.743 20 0 JHADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306507517 1069092617 /nfs/dbraw/zinc/09/26/17/1069092617.db2.gz SIUVMDGCGYHGGU-WOJBJXKFSA-N 1 0 488.627 3.764 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001306512308 1069107814 /nfs/dbraw/zinc/10/78/14/1069107814.db2.gz JKENCKKHMNAUMU-JOCHJYFZSA-N 1 0 472.703 3.936 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001306513441 1069111620 /nfs/dbraw/zinc/11/16/20/1069111620.db2.gz XEFMBKOHBVONQM-HXUWFJFHSA-N 1 0 472.703 3.938 20 0 JHADRO CCCC(=O)NC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001306513602 1069113017 /nfs/dbraw/zinc/11/30/17/1069113017.db2.gz XYPKAGKCYQJBIK-RBBKRZOGSA-N 1 0 460.667 3.525 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001306515446 1069117896 /nfs/dbraw/zinc/11/78/96/1069117896.db2.gz QRJRSJUWAMLJDL-DENIHFKCSA-N 1 0 458.626 3.976 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC(C)C)n2CC2([NH+]3CCSCC3)CCCC2)C1 ZINC001306517178 1069125972 /nfs/dbraw/zinc/12/59/72/1069125972.db2.gz INXMRFQVMBUTIL-JOCHJYFZSA-N 1 0 490.762 3.971 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccn3C)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001306517355 1069126618 /nfs/dbraw/zinc/12/66/18/1069126618.db2.gz NMEIPDWSZVCHLG-OAQYLSRUSA-N 1 0 469.678 3.681 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC)n2C[C@@H](CC)[N@@H+]2CCc3ccccc3C2)C1 ZINC001306517560 1069128069 /nfs/dbraw/zinc/12/80/69/1069128069.db2.gz KOHBBEZWXHRMEP-ZJSXRUAMSA-N 1 0 466.674 3.810 20 0 JHADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1ccc2nccnc2c1Br ZINC001310714988 1069129738 /nfs/dbraw/zinc/12/97/38/1069129738.db2.gz LABLXTLFDHFBBJ-UHFFFAOYSA-N 1 0 450.406 3.875 20 0 JHADRO COc1c(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc(Cl)cc1C(N)=O ZINC001310716269 1069130926 /nfs/dbraw/zinc/13/09/26/1069130926.db2.gz IHSBCICJCYJZFD-QGZVFWFLSA-N 1 0 456.974 3.871 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306519601 1069137228 /nfs/dbraw/zinc/13/72/28/1069137228.db2.gz UEUXKCXIKJURLV-FYYLOGMGSA-N 1 0 484.664 3.873 20 0 JHADRO Cc1c(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)nnn1CCOc1ccc(F)cc1 ZINC001310725918 1069138274 /nfs/dbraw/zinc/13/82/74/1069138274.db2.gz MOWRXHREFIFUMG-NRFANRHFSA-N 1 0 452.534 3.591 20 0 JHADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001306519953 1069138632 /nfs/dbraw/zinc/13/86/32/1069138632.db2.gz WPJAEILSDLHMED-SFTDATJTSA-N 1 0 470.637 3.625 20 0 JHADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306520092 1069138677 /nfs/dbraw/zinc/13/86/77/1069138677.db2.gz SMTCGLCFGFSAHX-PZJWPPBQSA-N 1 0 456.635 3.711 20 0 JHADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCc2cnc(Br)cn2)CC1 ZINC001310743694 1069146246 /nfs/dbraw/zinc/14/62/46/1069146246.db2.gz UPSBKNKNXLYFPB-UHFFFAOYSA-N 1 0 454.756 3.687 20 0 JHADRO O=C(CCOc1ccccc1)N1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC001306524793 1069150692 /nfs/dbraw/zinc/15/06/92/1069150692.db2.gz RCBYFOKXSMERKY-XMMPIXPASA-N 1 0 455.643 3.855 20 0 JHADRO CCOC(=O)c1cc(COC)cc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001310785649 1069161508 /nfs/dbraw/zinc/16/15/08/1069161508.db2.gz JFPNUELEYLBUPB-UHFFFAOYSA-N 1 0 454.571 3.576 20 0 JHADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2nc(C)n(-c3ccccc3)n2)CC1 ZINC001310792239 1069164485 /nfs/dbraw/zinc/16/44/85/1069164485.db2.gz VIOAHKMSRJJGKR-KRWDZBQOSA-N 1 0 451.550 3.739 20 0 JHADRO CNC(=O)c1cc(Oc2cccc(NC(=O)N3CC[NH+](CC4CCCCC4)CC3)c2)ccn1 ZINC001310819546 1069176723 /nfs/dbraw/zinc/17/67/23/1069176723.db2.gz SGKJCXRZJHJWGD-UHFFFAOYSA-N 1 0 451.571 3.963 20 0 JHADRO CN(C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001310866530 1069199497 /nfs/dbraw/zinc/19/94/97/1069199497.db2.gz WMETVEZWQRNDOZ-OAQYLSRUSA-N 1 0 458.628 3.892 20 0 JHADRO CCC[C@](C)(O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001306545729 1069201318 /nfs/dbraw/zinc/20/13/18/1069201318.db2.gz SYNXFRAQHZPBGU-BOCKYXSRSA-N 1 0 492.462 3.844 20 0 JHADRO COc1cc(NC(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)ccc1OCC[NH+](C)C ZINC001310892296 1069211753 /nfs/dbraw/zinc/21/17/53/1069211753.db2.gz VVDPJGQDPJGFQE-UHFFFAOYSA-N 1 0 450.580 3.595 20 0 JHADRO CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001306552434 1069217916 /nfs/dbraw/zinc/21/79/16/1069217916.db2.gz YCMXRTIWDCYUDB-UXHICEINSA-N 1 0 467.662 3.512 20 0 JHADRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cnc(-c3ccc(Br)s3)nc2)C[C@H](C)O1 ZINC001310919154 1069221488 /nfs/dbraw/zinc/22/14/88/1069221488.db2.gz IJNMOHVGDNWLSS-BETUJISGSA-N 1 0 454.394 3.588 20 0 JHADRO CC[C@H](CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC001310932703 1069225846 /nfs/dbraw/zinc/22/58/46/1069225846.db2.gz VPQWOTRCHJWQCR-QZTJIDSGSA-N 1 0 458.525 3.578 20 0 JHADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)N[C@H](C[C@@H]3CCCO3)C(F)(F)F)cc2)C[C@H](C)O1 ZINC001310933962 1069226561 /nfs/dbraw/zinc/22/65/61/1069226561.db2.gz CRHKHPMSORRRDY-KJNZLNQQSA-N 1 0 457.537 3.937 20 0 JHADRO CC(C)(C)OC(=O)NC[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC001310939592 1069229086 /nfs/dbraw/zinc/22/90/86/1069229086.db2.gz XUAMSWKEANKNPF-SJORKVTESA-N 1 0 450.546 3.740 20 0 JHADRO O=C(CCN1C(=S)N=NC1c1cccs1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001306561121 1069230633 /nfs/dbraw/zinc/23/06/33/1069230633.db2.gz QEZKHPQSOFZNKQ-UHFFFAOYSA-N 1 0 451.687 3.553 20 0 JHADRO C[C@@H]1CN(c2cc(F)cc(NC(=O)NCCc3ccc(OCC[NH+](C)C)cc3)c2)C[C@H](C)O1 ZINC001310956997 1069233492 /nfs/dbraw/zinc/23/34/92/1069233492.db2.gz AHVUAMAVCHNCJT-KDURUIRLSA-N 1 0 458.578 3.744 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[N@@H+]1CC ZINC001306567641 1069235359 /nfs/dbraw/zinc/23/53/59/1069235359.db2.gz MVOUJVHPOZESAR-PKOBYXMFSA-N 1 0 461.680 3.656 20 0 JHADRO CCC[C@H](C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001306570185 1069237610 /nfs/dbraw/zinc/23/76/10/1069237610.db2.gz RMOAEAZUXMSLBY-ACRUOGEOSA-N 1 0 495.672 3.564 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCC[NH+]1CCC(O)CC1 ZINC001306572036 1069239693 /nfs/dbraw/zinc/23/96/93/1069239693.db2.gz OUMKFEFAVIDGBS-FQEVSTJZSA-N 1 0 495.672 3.708 20 0 JHADRO CCC[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001306582588 1069247084 /nfs/dbraw/zinc/24/70/84/1069247084.db2.gz WQYNMESDKJKZFK-RTWAWAEBSA-N 1 0 454.667 3.809 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001306586350 1069253316 /nfs/dbraw/zinc/25/33/16/1069253316.db2.gz QIYTVWOCZHJTMU-XQUALCHDSA-N 1 0 488.721 3.958 20 0 JHADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001306587389 1069254485 /nfs/dbraw/zinc/25/44/85/1069254485.db2.gz VDZFMQOXENAYCD-QTJGBDASSA-N 1 0 488.721 3.815 20 0 JHADRO CCC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CC(C)C)CC1)OC ZINC001306590864 1069259907 /nfs/dbraw/zinc/25/99/07/1069259907.db2.gz CEJAXRLTMMTHBV-RTWAWAEBSA-N 1 0 478.682 3.943 20 0 JHADRO CCC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)OC ZINC001306593216 1069263417 /nfs/dbraw/zinc/26/34/17/1069263417.db2.gz OPHWMCXJMSHIQN-NJYVYQBISA-N 1 0 476.666 3.840 20 0 JHADRO CCN1c2ccc(NC(=O)NCc3ccccc3OCC[NH+](C)C)cc2OCC(C)(C)C1=O ZINC001311079000 1069266063 /nfs/dbraw/zinc/26/60/63/1069266063.db2.gz TXMWDIKEDVYMTE-UHFFFAOYSA-N 1 0 454.571 3.720 20 0 JHADRO CCCC(O)(CCC)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306596909 1069271270 /nfs/dbraw/zinc/27/12/70/1069271270.db2.gz WLJZAYSQBFZREA-HSZRJFAPSA-N 1 0 483.705 3.585 20 0 JHADRO C[NH+]1CCC(n2cc(NC(=O)NCc3ccc(C(=O)Nc4ccc(F)cc4)cc3)cn2)CC1 ZINC001311098798 1069273669 /nfs/dbraw/zinc/27/36/69/1069273669.db2.gz CWYHKXFANDWAFJ-UHFFFAOYSA-N 1 0 450.518 3.863 20 0 JHADRO CN1C(=O)COc2cccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C(F)(F)F)cc3)c21 ZINC001311151829 1069285149 /nfs/dbraw/zinc/28/51/49/1069285149.db2.gz HDIUJXMUHVKSBY-UHFFFAOYSA-N 1 0 450.461 3.656 20 0 JHADRO CC(C)(C)OC(=O)NCC1(CCNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC001311164001 1069287392 /nfs/dbraw/zinc/28/73/92/1069287392.db2.gz RNLIVGNXRQCVCD-OAQYLSRUSA-N 1 0 457.619 3.788 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC001306616786 1069298895 /nfs/dbraw/zinc/29/88/95/1069298895.db2.gz JIUVDZDCSACYGH-JENIJYKNSA-N 1 0 495.466 3.540 20 0 JHADRO CCC[C@@H]1CN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(C)n(C)c2=O)CC[N@@H+]1CCOC ZINC001306618210 1069300839 /nfs/dbraw/zinc/30/08/39/1069300839.db2.gz DGVUNZUHKBCNRP-RUZDIDTESA-N 1 0 492.668 3.500 20 0 JHADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(Br)c(OCCC3CCCCC3)c2)C1 ZINC001311226820 1069302197 /nfs/dbraw/zinc/30/21/97/1069302197.db2.gz HVCIRMYFCUPUOD-NRFANRHFSA-N 1 0 454.409 3.986 20 0 JHADRO CN(C)c1cc(NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC001311229257 1069302805 /nfs/dbraw/zinc/30/28/05/1069302805.db2.gz FOYYJWOHRABGMB-QFIPXVFZSA-N 1 0 450.505 3.872 20 0 JHADRO Cc1c(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc(Br)cc1C(F)(F)F ZINC001311232127 1069303641 /nfs/dbraw/zinc/30/36/41/1069303641.db2.gz PQUDWKBASLAULS-ZDUSSCGKSA-N 1 0 450.299 3.962 20 0 JHADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC[C@H]5[NH2+]CCO[C@@H]5C4)c23)c1 ZINC001164390103 718825023 /nfs/dbraw/zinc/82/50/23/718825023.db2.gz MKHKHEYHCILVBP-QZTJIDSGSA-N 1 0 455.653 3.973 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(SC)n1)C2 ZINC001164615163 719007731 /nfs/dbraw/zinc/00/77/31/719007731.db2.gz HCPOKYZIRUSAGJ-YJYMSZOUSA-N 1 0 460.978 3.546 20 0 JHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164615646 719008312 /nfs/dbraw/zinc/00/83/12/719008312.db2.gz JLMIEFVEGOAVKC-XMSQKQJNSA-N 1 0 464.944 3.977 20 0 JHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164614935 719009993 /nfs/dbraw/zinc/00/99/93/719009993.db2.gz GXUYAUKCWSUWBN-DJJJIMSYSA-N 1 0 463.356 3.564 20 0 JHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001164616005 719015547 /nfs/dbraw/zinc/01/55/47/719015547.db2.gz KGVNYLSHCZGYQX-ZNZDAUKMSA-N 1 0 475.927 3.563 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccc5c(c4)OCCCO5)nn3)CC2)CC1 ZINC001164618616 719033157 /nfs/dbraw/zinc/03/31/57/719033157.db2.gz VWRUUJXVODQFOU-UHFFFAOYSA-N 1 0 466.582 3.549 20 0 JHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)CC2)CC1 ZINC001164617163 719034537 /nfs/dbraw/zinc/03/45/37/719034537.db2.gz IMEDLZFMQORAAI-UHFFFAOYSA-N 1 0 451.995 3.934 20 0 JHADRO Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c2c1C ZINC001164624550 719047580 /nfs/dbraw/zinc/04/75/80/719047580.db2.gz OHQFSILXZRNLAI-HFZDXXHNSA-N 1 0 463.651 3.724 20 0 JHADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164620486 719064423 /nfs/dbraw/zinc/06/44/23/719064423.db2.gz FLOLQTDZSNSKPU-MOPGFXCFSA-N 1 0 463.960 3.612 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)c3cnoc3C)C2)nc1 ZINC001164655295 719320983 /nfs/dbraw/zinc/32/09/83/719320983.db2.gz VXQUODJMQONMRD-FDHFVPJWSA-N 1 0 467.614 3.729 20 0 JHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1 ZINC001164655837 719322517 /nfs/dbraw/zinc/32/25/17/719322517.db2.gz ZLCIOWGADKZMCY-ZEQKJWHPSA-N 1 0 465.573 3.809 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2ccnc(N(C)C)n2)C3)nc1 ZINC001164664196 719357861 /nfs/dbraw/zinc/35/78/61/719357861.db2.gz LVABJFUPBPNBOZ-YWEHKCAJSA-N 1 0 493.700 3.998 20 0 JHADRO Fc1ccc(CN2CCOCC23CCN(c2nc(Cl)cc(C4CC[NH2+]CC4)n2)CC3)cc1 ZINC001164674591 719502746 /nfs/dbraw/zinc/50/27/46/719502746.db2.gz ZVVNUGVPZSAYQC-UHFFFAOYSA-N 1 0 459.997 3.608 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4nc(Cl)ccc43)CC2)c2ccccc21 ZINC001164680641 719660215 /nfs/dbraw/zinc/66/02/15/719660215.db2.gz GRRRVUAXGGKPHH-GOSISDBHSA-N 1 0 479.028 3.772 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4c3COC4(C)C)CC2)c2ccccc21 ZINC001164681014 719663808 /nfs/dbraw/zinc/66/38/08/719663808.db2.gz LIURZDAHTGKULF-SFHVURJKSA-N 1 0 498.071 3.989 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN([C@@H](F)Oc3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164683101 719664068 /nfs/dbraw/zinc/66/40/68/719664068.db2.gz USOMXDPMTOQJMK-HOYKHHGWSA-N 1 0 475.008 3.956 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(C(=O)NC(C)(C)C)cn3)CC2)c2ccccc21 ZINC001164681109 719669375 /nfs/dbraw/zinc/66/93/75/719669375.db2.gz JOJXKNNEPMHMNC-QFIPXVFZSA-N 1 0 491.680 3.703 20 0 JHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc4ccc(Cl)nc4[nH]3)CC2)c2ccccc21 ZINC001164680404 719675618 /nfs/dbraw/zinc/67/56/18/719675618.db2.gz DQZHCDKQAYVXHL-KRWDZBQOSA-N 1 0 467.017 3.705 20 0 JHADRO Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(-c2ccccn2)n1 ZINC001164683119 719677134 /nfs/dbraw/zinc/67/71/34/719677134.db2.gz QYWMVTJKNPSQEA-JOCHJYFZSA-N 1 0 484.648 3.940 20 0 JHADRO CCSc1cncc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680086 719679106 /nfs/dbraw/zinc/67/91/06/719679106.db2.gz BRACHUOXJJATFG-LJQANCHMSA-N 1 0 453.656 3.682 20 0 JHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(S(=O)(=O)N4CCCCC4)cn2)CC3)cs1 ZINC001164693947 719813170 /nfs/dbraw/zinc/81/31/70/719813170.db2.gz ZMBYJEYDIZWSMS-UHFFFAOYSA-N 1 0 475.684 3.656 20 0 JHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC3)cs1 ZINC001164694031 719814930 /nfs/dbraw/zinc/81/49/30/719814930.db2.gz ZVHNYLVSPWGGBU-UHFFFAOYSA-N 1 0 475.684 3.656 20 0 JHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@@H](C(=O)NCCc4ccccn4)O[C@H]3C2)nc1 ZINC001164699230 719820242 /nfs/dbraw/zinc/82/02/42/719820242.db2.gz GZPCCSICBWIUQE-AFQFEXIYSA-N 1 0 477.653 3.756 20 0 JHADRO CCOC(=O)/C=C\c1cccnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164711528 720096640 /nfs/dbraw/zinc/09/66/40/720096640.db2.gz QKICGTHWJJHDIA-DJYGDJEFSA-N 1 0 450.583 3.560 20 0 JHADRO CCOC(=O)/C=C/c1cccnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164711531 720096712 /nfs/dbraw/zinc/09/67/12/720096712.db2.gz QKICGTHWJJHDIA-ZUTVHTERSA-N 1 0 450.583 3.560 20 0 JHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)CC2 ZINC001164712154 720102138 /nfs/dbraw/zinc/10/21/38/720102138.db2.gz WBJBEXDTDVDQTK-GOSISDBHSA-N 1 0 480.991 3.643 20 0 JHADRO CCOC(=O)/C=C/c1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713562 720128003 /nfs/dbraw/zinc/12/80/03/720128003.db2.gz RZDPOOJEHWVDNH-LBQODKDLSA-N 1 0 450.583 3.560 20 0 JHADRO CCOC(=O)c1cc2ncnc(N3CCC4(C[C@H](COC)[N@H+](Cc5ccccn5)C4)CC3)c2s1 ZINC001164714741 720130627 /nfs/dbraw/zinc/13/06/27/720130627.db2.gz YLFFXNWIRAROSM-LJQANCHMSA-N 1 0 481.622 3.771 20 0 JHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164820192 720159690 /nfs/dbraw/zinc/15/96/90/720159690.db2.gz ZSVPIHBRRVESOW-AVRDEDQJSA-N 1 0 463.960 3.922 20 0 JHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001164820226 720177887 /nfs/dbraw/zinc/17/78/87/720177887.db2.gz ZUBAZLCGZLSAKG-VGOFRKELSA-N 1 0 463.960 3.922 20 0 JHADRO Cn1nnc2c1CCN(c1nc(-c3ccccc3)nc3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718307 720178054 /nfs/dbraw/zinc/17/80/54/720178054.db2.gz OHULMYABJYNQDJ-XMMPIXPASA-N 1 0 469.593 3.642 20 0 JHADRO Cn1nnc2c1CCN(c1nc3ccccc3c(-c3ccccc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715400 720180677 /nfs/dbraw/zinc/18/06/77/720180677.db2.gz AXPZZVYONZXDKZ-DEOSSOPVSA-N 1 0 469.593 3.642 20 0 JHADRO Cn1nnc2c1CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715812 720195489 /nfs/dbraw/zinc/19/54/89/720195489.db2.gz NGZPKBNXAIRDHZ-OAHLLOKOSA-N 1 0 495.789 3.931 20 0 JHADRO Cn1nnc2c1CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715057 720197104 /nfs/dbraw/zinc/19/71/04/720197104.db2.gz IVVDKMUGTPMZLC-DEOSSOPVSA-N 1 0 487.583 3.781 20 0 JHADRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164720062 720207153 /nfs/dbraw/zinc/20/71/53/720207153.db2.gz VMXPLCUOFMJZPU-IBGZPJMESA-N 1 0 492.958 3.885 20 0 JHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)CCC2 ZINC001164818272 720246173 /nfs/dbraw/zinc/24/61/73/720246173.db2.gz YDLYNUGRVGOCLD-UHFFFAOYSA-N 1 0 462.328 3.620 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)ncc2C(=O)OC(C)(C)C)CC1 ZINC001164824649 720325887 /nfs/dbraw/zinc/32/58/87/720325887.db2.gz CPBSCJYYSLDIFM-RTBURBONSA-N 1 0 463.022 3.602 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)cc(Cc3ccccc3)n2)CC1 ZINC001164831387 720330998 /nfs/dbraw/zinc/33/09/98/720330998.db2.gz RSHDLPAYJVFMOX-FCHUYYIVSA-N 1 0 454.018 3.632 20 0 JHADRO Cc1cccc(Sc2cncc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164829497 720332576 /nfs/dbraw/zinc/33/25/76/720332576.db2.gz MUHVUQQVSYPQGE-VXKWHMMOSA-N 1 0 451.640 3.848 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3ccn(C(=O)c4ccccc4)c3n2)CC1 ZINC001164825375 720334021 /nfs/dbraw/zinc/33/40/21/720334021.db2.gz DHRZPUYOCFJVFN-RPWUZVMVSA-N 1 0 471.605 3.636 20 0 JHADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164823508 720339052 /nfs/dbraw/zinc/33/90/52/720339052.db2.gz GKRMAUFKDFIEND-YADHBBJMSA-N 1 0 496.725 3.815 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(-c3ccc(Cl)nn3)ccc2F)CC1 ZINC001164827466 720344576 /nfs/dbraw/zinc/34/45/76/720344576.db2.gz LRRHOTBQCBRKMB-NHCUHLMSSA-N 1 0 457.981 3.848 20 0 JHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC1 ZINC001164821795 720353295 /nfs/dbraw/zinc/35/32/95/720353295.db2.gz CAWRWMALSRJMFN-CVEARBPZSA-N 1 0 463.356 3.725 20 0 JHADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164825869 720354098 /nfs/dbraw/zinc/35/40/98/720354098.db2.gz JTRNJOKXEPTIAE-RTWAWAEBSA-N 1 0 486.016 3.842 20 0 JHADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164841387 720557117 /nfs/dbraw/zinc/55/71/17/720557117.db2.gz USSOEQGQBWIAHY-PCCBWWKXSA-N 1 0 459.038 3.791 20 0 JHADRO 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CC(C)N1Cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)C1=O ZINC001165022217 721821731 /nfs/dbraw/zinc/82/17/31/721821731.db2.gz GSBCVXFFIRJKJR-XKGZKEIXSA-N 1 0 455.006 3.626 20 0 JHADRO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)C1=O ZINC001165022213 721821856 /nfs/dbraw/zinc/82/18/56/721821856.db2.gz GSBCVXFFIRJKJR-QRFRQXIXSA-N 1 0 455.006 3.626 20 0 JHADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C(=O)OCC ZINC001165024022 721831840 /nfs/dbraw/zinc/83/18/40/721831840.db2.gz JIBZAVATTRPNLW-NMNUPHIUSA-N 1 0 466.582 3.567 20 0 JHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)c(S(C)(=O)=O)c3)C[C@H]21 ZINC001165028165 721832237 /nfs/dbraw/zinc/83/22/37/721832237.db2.gz USUMUDVWRXAVFC-KFKAGJAMSA-N 1 0 485.000 3.815 20 0 JHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)nc1 ZINC001164928682 721833848 /nfs/dbraw/zinc/83/38/48/721833848.db2.gz XOCINEADVBCGIT-ZCYQVOJMSA-N 1 0 471.671 3.501 20 0 JHADRO 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FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980437 722112637 /nfs/dbraw/zinc/11/26/37/722112637.db2.gz RETKICKQCOUNAQ-DYESRHJHSA-N 1 0 459.928 3.950 20 0 JHADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980310 722133500 /nfs/dbraw/zinc/13/35/00/722133500.db2.gz MRORRJGGPOWADL-DYESRHJHSA-N 1 0 475.927 3.830 20 0 JHADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980313 722133664 /nfs/dbraw/zinc/13/36/64/722133664.db2.gz MRORRJGGPOWADL-UTKZUKDTSA-N 1 0 475.927 3.830 20 0 JHADRO COc1ccc2nc(C(F)(F)N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc(Cl)c2c1 ZINC001164978861 722145903 /nfs/dbraw/zinc/14/59/03/722145903.db2.gz JZQTXXQPIDDRBM-UWJYYQICSA-N 1 0 489.954 3.959 20 0 JHADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977024 722146279 /nfs/dbraw/zinc/14/62/79/722146279.db2.gz HOAWNZITAHUMGR-UYAOXDASSA-N 1 0 486.954 3.859 20 0 JHADRO COc1ccc(Oc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc(C)n2)cc1 ZINC001164972473 722152620 /nfs/dbraw/zinc/15/26/20/722152620.db2.gz IAEPDGCAKQZGPF-QPPBQGQZSA-N 1 0 461.566 3.708 20 0 JHADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972604 722155328 /nfs/dbraw/zinc/15/53/28/722155328.db2.gz IOUUHNLBTNJOCJ-WBVHZDCISA-N 1 0 459.324 3.935 20 0 JHADRO Clc1nnc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1N1CCCCC1 ZINC001164973086 722158759 /nfs/dbraw/zinc/15/87/59/722158759.db2.gz LAPNKMVMJWCPSO-RTBURBONSA-N 1 0 477.440 3.896 20 0 JHADRO CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)n1 ZINC001164999651 722227929 /nfs/dbraw/zinc/22/79/29/722227929.db2.gz NWOLVXFDWNEIPB-IBGZPJMESA-N 1 0 478.975 3.871 20 0 JHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1nc(Cl)c3ccccc3n1)CCC2 ZINC001165000240 722250829 /nfs/dbraw/zinc/25/08/29/722250829.db2.gz MOXMDJIEFQSRJS-UHFFFAOYSA-N 1 0 450.921 3.513 20 0 JHADRO Cc1sc2nc(CN3CCCC3)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1C ZINC001165003375 722256469 /nfs/dbraw/zinc/25/64/69/722256469.db2.gz APBLHXHMJTXPRQ-UHFFFAOYSA-N 1 0 483.686 3.589 20 0 JHADRO COc1ccc(Oc2nc(Cl)ncc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)cc1 ZINC001165004456 722257961 /nfs/dbraw/zinc/25/79/61/722257961.db2.gz SDOIZFAQINGAPW-UHFFFAOYSA-N 1 0 472.977 3.616 20 0 JHADRO